A0A087WZ73_HUMAN Loading...

Rho GTPase activating protein 23

AlphaFold DB , UniProt , Accession A0A087WZ73, Species HUMAN (Homo sapiens, Human), Gene ARHGAP23, Length 83 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
1R82.2Confident91.9Very high302 Ų30272.5 Ų72.5100%1.1435%0.351SS*.  0136.40-167.1175.6-176.7176.90.8107.6
2V90.1Very high92.2Very high98 Ų9867.7 Ų67.759%0.59433%0.329SS*.  trans-75.8135.2-175.3-179.50000110.5V6V2-V6 HydrophobicContact CG1-CB 3.83Å; V2-V6 HydrophobicContact CG1-CG1 3.8Å
3P90.6Very high92.6Very high59 Ų5962.6 Ų62.638%0.38330%0.304SS..  trans-59.5141.5175.1-24.334.4000112.4I5 V6 A7 F67P3-I5 HydrophobicContact CB-CG2 3.99Å; P3-I5 PolarHBondContact O-N 3.04Å; P3-V6 HydrophobicContact CB-CG2 4.17Å; P3-V6 HydrophobicContact CG-CG2 4.27Å; P3-V6 WeakPolarHBondContact O-CB 3.5Å; P3-V6 PolarHBondContact O-N 3.18Å; P3-A7 PolarHBondContact O-N 3.2Å; P3-F67 HydrophobicContact CB-CE1 4.44Å; P3-F67 HydrophobicContact CB-CZ 3.96Å; P3-F67 HydrophobicContact CG-CE1 4.18Å; P3-F67 HydrophobicContact CG-CZ 3.83Å
4L88Confident92.9Very high89 Ų8967.1 Ų67.147%0.46633%0.325SS..Hα-helixtrans-55.6-38.6-178.1177.960.6000112.5V6 A7 A8 P44 I47L4-V6 PolarHBondContact O-N 3.45Å; L4-A7 PolarHBondContact O-N 3.21Å; L4-A8 VanDerWaalsContact O-CB 3.31Å; L4-A8 WeakPolarHBondContact O-CB 3.38Å; L4-A8 PolarHBondContact O-N 3.12Å; L4-P44 HydrophobicContact CD2-CB 3.82Å; L4-I47 HydrophobicContact CD2-CD1 3.75Å; L4-I47 HydrophobicContact CG-CD1 4.28Å
5I90.2Very high93.1Very high14 Ų1467.8 Ų67.87%0.07235%0.345CS..Hα-helixtrans-59.3-44.7177.1179.555.6000112.4P3 A8 C9 L40 W54 L63 F67P3-I5 HydrophobicContact CB-CG2 3.99Å; P3-I5 PolarHBondContact O-N 3.04Å; I5-A8 PolarHBondContact O-N 2.86Å; I5-C9 WeakPolarHBondContact CD1-SG 3.31Å; I5-C9 WeakPolarHBondContact O-CB 3.05Å; I5-C9 PolarHBondContact O-N 3.07Å; I5-C9 PolarHBondContact O-SG 3.25Å; I5-L40 HydrophobicContact CB-CD1 4.29Å; I5-L40 HydrophobicContact CB-CD2 4.2Å; I5-L40 HydrophobicContact CD1-CD1 3.41Å; I5-L40 VanDerWaalsContact CD1-CD1 3.41Å; I5-L40 HydrophobicContact CD1-CD2 3.93Å; I5-L40 HydrophobicContact CD1-CG 4.31Å; I5-L40 HydrophobicContact CG1-CD1 3.7Å; I5-L40 HydrophobicContact CG1-CD2 4.38Å; I5-W54 HydrophobicContact CD1-CH2 3.73Å; I5-W54 HydrophobicContact CD1-CZ3 4.24Å; I5-L63 HydrophobicContact CD1-CD2 3.8Å; I5-L63 HydrophobicContact CD1-CG 4.1Å; I5-F67 HydrophobicContact CG2-CD1 4.36Å; I5-F67 HydrophobicContact CG2-CD2 3.71Å; I5-F67 HydrophobicContact CG2-CE1 4.34Å; I5-F67 HydrophobicContact CG2-CE2 3.68Å; I5-F67 HydrophobicContact CG2-CG 4.06Å; I5-F67 HydrophobicContact CG2-CZ 4.01Å
6V94.6Very high93.3Very high17 Ų1771.1 Ų71.110%0.10335%0.352CS..Hα-helixtrans-62.5-49.1179176.50000109.3V2 P3 L4 A8 C10 L64 F67 F68V2-V6 HydrophobicContact CG1-CB 3.83Å; V2-V6 HydrophobicContact CG1-CG1 3.8Å; P3-V6 HydrophobicContact CB-CG2 4.17Å; P3-V6 HydrophobicContact CG-CG2 4.27Å; P3-V6 WeakPolarHBondContact O-CB 3.5Å; P3-V6 PolarHBondContact O-N 3.18Å; L4-V6 PolarHBondContact O-N 3.45Å; V6-A8 PolarHBondContact O-N 3.08Å; V6-C10 WeakPolarHBondContact O-CB 3.42Å; V6-C10 PolarHBondContact O-N 3.26Å; V6-C10 PolarHBondContact O-SG 3.32Å; V6-L64 HydrophobicContact CB-CD1 4.33Å; V6-L64 HydrophobicContact CG1-CD1 4.29Å; V6-L64 HydrophobicContact CG2-CD1 4.15Å; V6-F67 HydrophobicContact CG2-CD1 3.7Å; V6-F67 HydrophobicContact CG2-CE1 3.5Å; V6-F67 VanDerWaalsContact CG2-CE1 3.5Å; V6-F67 HydrophobicContact CG2-CZ 4.37Å; V6-F68 HydrophobicContact CG1-CZ 3.98Å; V6-F68 HydrophobicContact CG2-CE1 4.09Å; V6-F68 HydrophobicContact CG2-CZ 3.88Å
7A93.7Very high93.4Very high36 Ų3666.9 Ų66.930%0.29833%0.332SS..Hα-helixtrans-62.3-40.4179.300000113P3 L4 R11P3-A7 PolarHBondContact O-N 3.2Å; L4-A7 PolarHBondContact O-N 3.21Å; A7-R11 VanDerWaalsContact O-CB 3.31Å; A7-R11 WeakPolarHBondContact O-CB 3.02Å; A7-R11 PolarHBondContact O-N 3.02Å; A7-R11 VanDerWaalsContact O-N 3.09Å
8A92.7Very high93.4Very high3 Ų370.2 Ų70.23%0.02535%0.349CS..Hα-helixtrans-68.6-48.5179.600000111.9L4 I5 V6 R11 I12 L49L4-A8 VanDerWaalsContact O-CB 3.31Å; L4-A8 WeakPolarHBondContact O-CB 3.38Å; L4-A8 PolarHBondContact O-N 3.12Å; I5-A8 PolarHBondContact O-N 2.86Å; V6-A8 PolarHBondContact O-N 3.08Å; A8-R11 PolarHBondContact O-N 3.5Å; A8-I12 VanDerWaalsContact O-CG1 3.32Å; A8-I12 WeakPolarHBondContact O-CG1 3.23Å; A8-I12 PolarHBondContact O-N 3.24Å; A8-L49 HydrophobicContact CB-CD2 4.32Å
9C95.9Very high93.4Very high0 Ų076.7 Ų76.70%038%0.379CS..Hα-helixtrans-59.9-47.8177.2-74.90000111.6I5 R11 I12 V13 I60 L64I5-C9 WeakPolarHBondContact CD1-SG 3.31Å; I5-C9 WeakPolarHBondContact O-CB 3.05Å; I5-C9 PolarHBondContact O-N 3.07Å; I5-C9 PolarHBondContact O-SG 3.25Å; C9-R11 PolarHBondContact O-N 3.09Å; C9-I12 PolarHBondContact O-N 3Å; C9-V13 WeakPolarHBondContact O-CG2 3.47Å; C9-V13 PolarHBondContact O-N 2.93Å; C9-I60 HydrophobicContact CB-CG2 3.96Å; C9-L64 HydrophobicContact CB-CB 3.85Å; C9-L64 HydrophobicContact CB-CD1 4.07Å; C9-L64 HydrophobicContact CB-CD2 4Å; C9-L64 HydrophobicContact CB-CG 4.19Å
10C96.8Very high93.4Very high37 Ų3775 Ų7525%0.2538%0.375CS..Hα-helixtrans-59.8-48.9178.8-680000111.3V6 I12 V13 E14V6-C10 WeakPolarHBondContact O-CB 3.42Å; V6-C10 PolarHBondContact O-N 3.26Å; V6-C10 PolarHBondContact O-SG 3.32Å; C10-I12 VanDerWaalsContact C-N 3.29Å; C10-I12 PolarHBondContact O-N 3.18Å; C10-V13 PolarHBondContact O-N 3.42Å; C10-E14 WeakPolarHBondContact O-CB 3.32Å; C10-E14 VanDerWaalsContact O-CG 3.29Å; C10-E14 WeakPolarHBondContact O-CG 3.31Å; C10-E14 PolarHBondContact O-N 2.84Å
11R95.8Very high93.5Very high142 Ų14277.4 Ų77.454%0.53639%0.394SS..Hα-helixtrans-57.1-41.9179.1-170.9-171.2-52.5135.86.6112.5A7 A8 C9 A15A7-R11 VanDerWaalsContact O-CB 3.31Å; A7-R11 WeakPolarHBondContact O-CB 3.02Å; A7-R11 PolarHBondContact O-N 3.02Å; A7-R11 VanDerWaalsContact O-N 3.09Å; A8-R11 PolarHBondContact O-N 3.5Å; C9-R11 PolarHBondContact O-N 3.09Å; R11-A15 VanDerWaalsContact O-CB 3.23Å; R11-A15 WeakPolarHBondContact O-CB 3.36Å; R11-A15 PolarHBondContact O-N 3.42Å
12I95.9Very high94.1Very high15 Ų1563.9 Ų63.98%0.07735%0.349CS..Hα-helixtrans-69.4-43.6-179.8-65.5164.8000110.9A8 C9 C10 A15 R16 L49 W54 L57 I60A8-I12 VanDerWaalsContact O-CG1 3.32Å; A8-I12 WeakPolarHBondContact O-CG1 3.23Å; A8-I12 PolarHBondContact O-N 3.24Å; C9-I12 PolarHBondContact O-N 3Å; C10-I12 VanDerWaalsContact C-N 3.29Å; C10-I12 PolarHBondContact O-N 3.18Å; I12-A15 PolarHBondContact O-N 3.32Å; I12-R16 PolarHBondContact O-N 3.42Å; I12-L49 HydrophobicContact CD1-CD2 4.4Å; I12-W54 HydrophobicContact CD1-CE3 3.84Å; I12-W54 HydrophobicContact CD1-CZ3 4.44Å; I12-L57 HydrophobicContact CG2-CD2 4.17Å; I12-I60 HydrophobicContact CB-CD1 4.33Å; I12-I60 HydrophobicContact CB-CG2 4.44Å; I12-I60 HydrophobicContact CD1-CD1 4.29Å; I12-I60 HydrophobicContact CG2-CD1 3.46Å; I12-I60 VanDerWaalsContact CG2-CD1 3.46Å
13V97.2Very high94.5Very high2 Ų260.8 Ų60.81%0.01233%0.328CS..Hα-helixtrans-66.5-40.2178.6174.10000111.3C9 C10 A15 G17 L18 I23 Y24 I60C9-V13 WeakPolarHBondContact O-CG2 3.47Å; C9-V13 PolarHBondContact O-N 2.93Å; C10-V13 PolarHBondContact O-N 3.42Å; V13-A15 VanDerWaalsContact C-N 3.35Å; V13-G17 CarbonylContact O-C 3.55Å; V13-G17 WeakPolarHBondContact O-CA 3.28Å; V13-G17 PolarHBondContact O-N 3.38Å; V13-L18 PolarHBondContact O-N 3.46Å; V13-I23 HydrophobicContact CG1-CD1 4.44Å; V13-I23 HydrophobicContact CG1-CG1 3.91Å; V13-Y24 HydrophobicContact CG1-CE2 3.74Å; V13-Y24 WeakPolarHBondContact CG1-OH 3.23Å; V13-I60 HydrophobicContact CG2-CG2 4.08Å
14E97.1Very high94.8Very high126 Ų12662.3 Ų62.359%0.58933%0.327SS*.Hα-helixtrans-63.4-41.1175-73.5166.6-172.400111.8C10 L18C10-E14 WeakPolarHBondContact O-CB 3.32Å; C10-E14 VanDerWaalsContact O-CG 3.29Å; C10-E14 WeakPolarHBondContact O-CG 3.31Å; C10-E14 PolarHBondContact O-N 2.84Å; E14-L18 WeakPolarHBondContact O-CD1 3.33Å
15A96.3Very high95.3Very high77 Ų7767.3 Ų67.364%0.63634%0.34SS*.Hα-helixtrans-72.9-29.8-178.300000114R11 I12 V13R11-A15 VanDerWaalsContact O-CB 3.23Å; R11-A15 WeakPolarHBondContact O-CB 3.36Å; R11-A15 PolarHBondContact O-N 3.42Å; I12-A15 PolarHBondContact O-N 3.32Å; V13-A15 VanDerWaalsContact C-N 3.35Å
16R95.4Very high95.6Very high121 Ų12169.3 Ų69.346%0.45735%0.352SS..Hα-helixtrans-138.2-16.7-166.3-65.5-175.3-82.7-179.10.9115.4I12 L57I12-R16 PolarHBondContact O-N 3.42Å; R16-L57 HydrophobicContact CB-CD2 3.98Å; R16-L57 WeakPolarHBondContact O-CD1 3.41Å
17G94.9Very high95.8Very high0 Ų073 Ų730%038%0.376CS..THydrogen-bonded Turntrans-105.3-11.4-168.800000116.1V13 E19 S20 I23V13-G17 CarbonylContact O-C 3.55Å; V13-G17 WeakPolarHBondContact O-CA 3.28Å; V13-G17 PolarHBondContact O-N 3.38Å; G17-E19 VanDerWaalsContact C-N 3.3Å; G17-E19 PolarHBondContact O-N 3.03Å; G17-S20 VanDerWaalsContact O-CB 3.28Å; G17-S20 WeakPolarHBondContact O-CB 3.36Å; G17-S20 PolarHBondContact O-N 3.18Å; G17-I23 WeakPolarHBondContact O-CG2 3.09Å
18L94.1Very high96Very high125 Ų12571.6 Ų71.665%0.65437%0.366SS*.THydrogen-bonded Turntrans-66.9-29.2-174.9-60.3-176.4000113.6V13 E14V13-L18 PolarHBondContact O-N 3.46Å; E14-L18 WeakPolarHBondContact O-CD1 3.33Å
19E93.8Very high96.2Very high194 Ų19475.9 Ų75.991%0.90739%0.389SS*.THydrogen-bonded Turntrans-90.2-4.5174.9-59.4-172.3152.500112.7G17 T21G17-E19 VanDerWaalsContact C-N 3.3Å; G17-E19 PolarHBondContact O-N 3.03Å; E19-T21 PolarHBondContact O-N 3.13Å
20S93.3Very high96.3Very high42 Ų4281.7 Ų81.729%0.29442%0.419SS..SBendtrans-75.1123.5-179.6-175.40000111G17 G22 I23G17-S20 VanDerWaalsContact O-CB 3.28Å; G17-S20 WeakPolarHBondContact O-CB 3.36Å; G17-S20 PolarHBondContact O-N 3.18Å; S20-G22 PolarHBondContact O-N 3.33Å; S20-G22 VanDerWaalsContact O-N 3.16Å; S20-I23 PolarHBondContact O-N 3.44Å
21T94.4Very high96.3Very high126 Ų12683.3 Ų83.377%0.77344%0.435SS*.THydrogen-bonded Turntrans-63.9119.1-179.4-67.20000110.6E19E19-T21 PolarHBondContact O-N 3.13Å
22G96.4Very high96.4Very high19 Ų1978.3 Ų78.320%0.19642%0.421CS..THydrogen-bonded Turntrans74.923.2176.900000114.3S20 Y24 R25 V26S20-G22 PolarHBondContact O-N 3.33Å; S20-G22 VanDerWaalsContact O-N 3.16Å; G22-Y24 PolarHBondContact O-N 2.98Å; G22-R25 CarbonylContact O-C 3.53Å; G22-R25 WeakPolarHBondContact O-CA 3.25Å; G22-R25 WeakPolarHBondContact O-CB 3.29Å; G22-R25 PolarHBondContact O-N 3.21Å; G22-V26 PolarHBondContact O-N 3.45Å
23I97Very high96.5Very high32 Ų3278 Ų7816%0.16442%0.42CS..THydrogen-bonded Turntrans-49.7137.5166.6-169.260.6000110.1V13 G17 S20 R25 L57V13-I23 HydrophobicContact CG1-CD1 4.44Å; V13-I23 HydrophobicContact CG1-CG1 3.91Å; G17-I23 WeakPolarHBondContact O-CG2 3.09Å; S20-I23 PolarHBondContact O-N 3.44Å; I23-R25 PolarHBondContact O-N 2.84Å; I23-L57 HydrophobicContact CD1-CB 3.97Å
24Y97.3Very high96.4Very high91 Ų9180.5 Ų80.536%0.35744%0.437SS..THydrogen-bonded Turntrans66.5-21.5-167.7-57.5-78.2000117V13 G22 L64 K65V13-Y24 HydrophobicContact CG1-CE2 3.74Å; V13-Y24 WeakPolarHBondContact CG1-OH 3.23Å; G22-Y24 PolarHBondContact O-N 2.98Å; Y24-L64 HydrophobicContact CE1-CD2 4.17Å; Y24-K65 HydrophobicContact CD1-CD 4.49Å; Y24-K65 HydrophobicContact CD1-CG 4.43Å; Y24-K65 PolarHBondContact O-NZ 3.22Å
25R97.8Very high96.3Very high195 Ų19576.5 Ų76.574%0.73642%0.423SS*.THydrogen-bonded Turntrans-86.2-47.5174.9-172.3179.469.4-173.40.5112.2G22 I23G22-R25 CarbonylContact O-C 3.53Å; G22-R25 WeakPolarHBondContact O-CA 3.25Å; G22-R25 WeakPolarHBondContact O-CB 3.29Å; G22-R25 PolarHBondContact O-N 3.21Å; I23-R25 PolarHBondContact O-N 2.84Å
26V97.8Very high96.3Very high55 Ų5572.9 Ų72.933%0.33339%0.393SS..SBendtrans-74.8130.3179.6-179.50000109.3G22G22-V26 PolarHBondContact O-N 3.45Å
27P97.7Very high96.1Very high94 Ų9468.3 Ų68.361%0.6138%0.377SS*.PPolyproline II helixtrans-77.2138.5178.731.2-33.9000111.5
28G97.8Very high96Very high8 Ų873.5 Ų73.58%0.08240%0.401CS..PPolyproline II helixtrans-73.4168.9163.400000113.5N30 N58 S62G28-N30 PolarHBondContact O-N 2.95Å; G28-N58 WeakPolarHBondContact CA-O 3.3Å; G28-N58 PolarHBondContact N-O 3.37Å; G28-S62 PolarHBondContact N-OG 3.24Å; G28-S62 VanDerWaalsContact N-OG 3.09Å
29N98Very high95.8Very high93 Ų9368.6 Ų68.650%0.49738%0.375SS..PPolyproline II helixtrans-62.3117.3176.6-175.9-32.6000111.3A31 V32 V33 V59N29-A31 VanDerWaalsContact C-N 3.3Å; N29-A31 PolarHBondContact O-N 3.28Å; N29-A31 WeakPolarHBondContact OD1-CB 3.46Å; N29-A31 PolarHBondContact OD1-N 3.43Å; N29-V32 HydrophobicContact CB-CB 4.34Å; N29-V32 HydrophobicContact CB-CG2 3.96Å; N29-V32 PolarHBondContact O-N 3.21Å; N29-V32 VanDerWaalsContact O-N 3.15Å; N29-V33 WeakPolarHBondContact O-CG2 3.5Å; N29-V33 PolarHBondContact O-N 3.34Å; N29-V59 HydrophobicContact CB-CG2 4.35Å
30N97.3Very high95.5Very high121 Ų12161.1 Ų61.165%0.64734%0.341SS*.Hα-helixtrans-59.4-35.6-176.6-73-28.7000113.7G28 V32 V33 S34G28-N30 PolarHBondContact O-N 2.95Å; N30-V32 VanDerWaalsContact C-N 3.34Å; N30-V33 PolarHBondContact O-N 3.17Å; N30-S34 PolarHBondContact O-N 3.05Å; N30-S34 PolarHBondContact O-OG 2.82Å; N30-S34 VanDerWaalsContact O-OG 3.13Å
31A97.8Very high95.2Very high71 Ų7166 Ų6659%0.58736%0.363SS*.Hα-helixtrans-65.7-40.217900000111.2N29 S34 S35N29-A31 VanDerWaalsContact C-N 3.3Å; N29-A31 PolarHBondContact O-N 3.28Å; N29-A31 WeakPolarHBondContact OD1-CB 3.46Å; N29-A31 PolarHBondContact OD1-N 3.43Å; A31-S34 PolarHBondContact O-N 3.38Å; A31-S35 WeakPolarHBondContact O-CB 3.46Å; A31-S35 PolarHBondContact O-N 2.73Å
32V97.8Very high94.9Very high37 Ų3768.9 Ų68.922%0.22436%0.36CS..Hα-helixtrans-69.6-41.6177-173.60000110.9N29 N30 S34 S35 L36 R53 V59N29-V32 HydrophobicContact CB-CB 4.34Å; N29-V32 HydrophobicContact CB-CG2 3.96Å; N29-V32 PolarHBondContact O-N 3.21Å; N29-V32 VanDerWaalsContact O-N 3.15Å; N30-V32 VanDerWaalsContact C-N 3.34Å; V32-S34 PolarHBondContact O-N 3.27Å; V32-S35 PolarHBondContact O-N 3Å; V32-L36 PolarHBondContact O-N 3.02Å; V32-R53 HydrophobicContact CG1-CB 3.72Å; V32-R53 HydrophobicContact CG1-CG 3.72Å; V32-V59 HydrophobicContact CB-CG1 4.22Å; V32-V59 HydrophobicContact CB-CG2 4.09Å; V32-V59 HydrophobicContact CG1-CG1 3.74Å; V32-V59 HydrophobicContact CG1-CG2 4.17Å
33V97.4Very high94.2Very high9 Ų968.9 Ų68.96%0.05536%0.36CS..Hα-helixtrans-58-48174.7173.10000110.8N29 N30 S35 L36 Q37 V59 L63N29-V33 WeakPolarHBondContact O-CG2 3.5Å; N29-V33 PolarHBondContact O-N 3.34Å; N30-V33 PolarHBondContact O-N 3.17Å; V33-S35 VanDerWaalsContact C-N 3.34Å; V33-S35 PolarHBondContact O-N 3.18Å; V33-L36 PolarHBondContact O-N 3.06Å; V33-Q37 VanDerWaalsContact O-CG 3.3Å; V33-Q37 WeakPolarHBondContact O-CG 3.18Å; V33-Q37 PolarHBondContact O-N 3.19Å; V33-V59 HydrophobicContact CG2-CB 4.44Å; V33-V59 HydrophobicContact CG2-CG1 4.01Å; V33-L63 HydrophobicContact CG1-CD1 4.41Å
34S95.9Very high93.2Very high55 Ų5572 Ų7239%0.38538%0.383SS..Hα-helixtrans-60.6-43.2176.6-64.50000112N30 A31 V32 L36 Q37 E38N30-S34 PolarHBondContact O-N 3.05Å; N30-S34 PolarHBondContact O-OG 2.82Å; N30-S34 VanDerWaalsContact O-OG 3.13Å; A31-S34 PolarHBondContact O-N 3.38Å; V32-S34 PolarHBondContact O-N 3.27Å; S34-L36 PolarHBondContact O-N 3.46Å; S34-Q37 WeakPolarHBondContact O-CB 3.29Å; S34-Q37 PolarHBondContact O-N 3.31Å; S34-Q37 VanDerWaalsContact O-N 3.15Å; S34-E38 WeakPolarHBondContact O-CG 3.37Å; S34-E38 PolarHBondContact O-N 3.36Å
35S95.3Very high92.4Very high42 Ų4271.4 Ų71.429%0.29440%0.404SS..Hα-helixtrans-62.6-39.5178.1-172.90000113.1A31 V32 V33 E38 Q39 R53A31-S35 WeakPolarHBondContact O-CB 3.46Å; A31-S35 PolarHBondContact O-N 2.73Å; V32-S35 PolarHBondContact O-N 3Å; V33-S35 VanDerWaalsContact C-N 3.34Å; V33-S35 PolarHBondContact O-N 3.18Å; S35-E38 PolarHBondContact O-N 3.35Å; S35-Q39 PolarHBondContact O-N 3.4Å; S35-Q39 VanDerWaalsContact O-N 3.11Å; S35-R53 PolarHBondContact OG-NH1 2.97Å
36L94.9Very high91.7Very high0 Ų066.1 Ų66.10%039%0.39CS..Hα-helixtrans-69.6-35.9173.5-71.7179.9000112V32 V33 S34 E38 Q39 L40 R53 W54 V59 L63V32-L36 PolarHBondContact O-N 3.02Å; V33-L36 PolarHBondContact O-N 3.06Å; S34-L36 PolarHBondContact O-N 3.46Å; L36-E38 VanDerWaalsContact C-N 3.34Å; L36-Q39 WeakPolarHBondContact O-CB 3.44Å; L36-Q39 PolarHBondContact O-N 3.4Å; L36-L40 VanDerWaalsContact O-CG 3.23Å; L36-L40 WeakPolarHBondContact O-CG 3.38Å; L36-L40 PolarHBondContact O-N 3.44Å; L36-R53 HydrophobicContact CD1-CB 4.16Å; L36-R53 HydrophobicContact CD2-CB 3.81Å; L36-R53 HydrophobicContact CG-CB 4.09Å; L36-W54 HydrophobicContact CD2-CD2 4.47Å; L36-W54 HydrophobicContact CD2-CZ2 4.19Å; L36-V59 HydrophobicContact CD1-CG1 3.7Å; L36-L63 HydrophobicContact CB-CD1 4.26Å; L36-L63 HydrophobicContact CB-CD2 3.83Å; L36-L63 HydrophobicContact CD1-CD2 3.89Å
37Q92.5Very high91.1Very high25 Ų2565.2 Ų65.212%0.11738%0.383CS..Hα-helixtrans-62.2-42.5173.5-72173.98.800112V33 S34 Q39 L40 N41 L63 S66V33-Q37 VanDerWaalsContact O-CG 3.3Å; V33-Q37 WeakPolarHBondContact O-CG 3.18Å; V33-Q37 PolarHBondContact O-N 3.19Å; S34-Q37 WeakPolarHBondContact O-CB 3.29Å; S34-Q37 PolarHBondContact O-N 3.31Å; S34-Q37 VanDerWaalsContact O-N 3.15Å; Q37-Q39 VanDerWaalsContact C-N 3.34Å; Q37-L40 PolarHBondContact O-N 3.28Å; Q37-N41 PolarHBondContact O-N 3.19Å; Q37-N41 PolarHBondContact O-ND2 3.49Å; Q37-L63 HydrophobicContact CG-CD1 3.39Å; Q37-S66 PolarHBondContact NE2-OG 3.1Å
38E91.8Very high90.6Very high110 Ų11064.8 Ų64.851%0.51438%0.376SS..Hα-helixtrans-61.8-42174.9-72.6171.4-162.700111.9S34 S35 L36 L40 N41 R42S34-E38 WeakPolarHBondContact O-CG 3.37Å; S34-E38 PolarHBondContact O-N 3.36Å; S35-E38 PolarHBondContact O-N 3.35Å; L36-E38 VanDerWaalsContact C-N 3.34Å; E38-L40 VanDerWaalsContact C-N 3.32Å; E38-L40 PolarHBondContact O-N 3.26Å; E38-N41 PolarHBondContact O-N 2.91Å; E38-R42 WeakPolarHBondContact O-CG 3.44Å; E38-R42 PolarHBondContact O-N 2.84Å
39Q90.2Very high90Very high22 Ų2267.3 Ų67.310%0.10339%0.387CS..Hα-helixtrans-57.8-45.5173.3179.6178.958.300111.2S35 L36 Q37 N41 R42 D46S35-Q39 PolarHBondContact O-N 3.4Å; S35-Q39 VanDerWaalsContact O-N 3.11Å; L36-Q39 WeakPolarHBondContact O-CB 3.44Å; L36-Q39 PolarHBondContact O-N 3.4Å; Q37-Q39 VanDerWaalsContact C-N 3.34Å; Q39-N41 VanDerWaalsContact C-N 3.32Å; Q39-N41 PolarHBondContact O-N 2.94Å; Q39-R42 PolarHBondContact O-N 3.43Å; Q39-D46 VanDerWaalsContact CD-O 3.22Å; Q39-D46 HydrophobicContact CG-CB 4.27Å; Q39-D46 VanDerWaalsContact CG-O 3.29Å; Q39-D46 WeakPolarHBondContact CG-O 3.03Å; Q39-D46 PolarHBondContact NE2-O 3.09Å
40L86.9Confident89.6Confident37 Ų3770.4 Ų70.419%0.19440%0.399CS..Hα-helixtrans-65.1-35.4179.1-67165.7000113I5 L36 Q37 E38 R42 G43 I47 W54 L63I5-L40 HydrophobicContact CB-CD1 4.29Å; I5-L40 HydrophobicContact CB-CD2 4.2Å; I5-L40 HydrophobicContact CD1-CD1 3.41Å; I5-L40 VanDerWaalsContact CD1-CD1 3.41Å; I5-L40 HydrophobicContact CD1-CD2 3.93Å; I5-L40 HydrophobicContact CD1-CG 4.31Å; I5-L40 HydrophobicContact CG1-CD1 3.7Å; I5-L40 HydrophobicContact CG1-CD2 4.38Å; L36-L40 VanDerWaalsContact O-CG 3.23Å; L36-L40 WeakPolarHBondContact O-CG 3.38Å; L36-L40 PolarHBondContact O-N 3.44Å; Q37-L40 PolarHBondContact O-N 3.28Å; E38-L40 VanDerWaalsContact C-N 3.32Å; E38-L40 PolarHBondContact O-N 3.26Å; L40-R42 PolarHBondContact O-N 3.5Å; L40-G43 PolarHBondContact O-N 2.95Å; L40-I47 HydrophobicContact CD2-CD1 3.38Å; L40-I47 HydrophobicContact CD2-CG1 3.76Å; L40-W54 HydrophobicContact CD2-CH2 4.5Å; L40-L63 HydrophobicContact CD1-CD1 4Å; L40-L63 HydrophobicContact CD1-CD2 4.15Å; L40-L63 HydrophobicContact CD1-CG 4.36Å
41N86.9Confident89.3Confident143 Ų14366.5 Ų66.577%0.76538%0.378SS*.Hα-helixtrans-68.6-22.4179-71.6-22.7000113Q37 E38 Q39 G43Q37-N41 PolarHBondContact O-N 3.19Å; Q37-N41 PolarHBondContact O-ND2 3.49Å; E38-N41 PolarHBondContact O-N 2.91Å; Q39-N41 VanDerWaalsContact C-N 3.32Å; Q39-N41 PolarHBondContact O-N 2.94Å; N41-G43 VanDerWaalsContact C-N 3.32Å
42R88.3Confident89Confident188 Ų18871.2 Ų71.271%0.70939%0.388SS*.Hα-helixtrans-75.8-24174.6-62.6173.8-169.7-163.61.6112.5E38 Q39 L40 D46E38-R42 WeakPolarHBondContact O-CG 3.44Å; E38-R42 PolarHBondContact O-N 2.84Å; Q39-R42 PolarHBondContact O-N 3.43Å; L40-R42 PolarHBondContact O-N 3.5Å; R42-D46 HydrophobicContact CB-CB 4.45Å; R42-D46 WeakPolarHBondContact CB-OD2 3.24Å
43G82Confident88.8Confident19 Ų1972.5 Ų72.520%0.19639%0.389CS..  trans130.6169.717200000113.3L40 N41 G45 D46L40-G43 PolarHBondContact O-N 2.95Å; N41-G43 VanDerWaalsContact C-N 3.32Å; G43-G45 PolarHBondContact O-N 3.12Å; G43-D46 PolarHBondContact O-N 3.27Å
44P75.9Confident88.7Confident97 Ų9772.1 Ų72.163%0.6339%0.386SS*.G310 helixtrans-65.8-20.9-175.425.1-33.3000114.2L4 D46L4-P44 HydrophobicContact CD2-CB 3.82Å; P44-D46 VanDerWaalsContact C-N 3.28Å; P44-D46 PolarHBondContact O-N 3.35Å
45G80.9Confident88.6Confident78 Ų7873.5 Ų73.580%0.80439%0.386SS*.G310 helixtrans-71-19.7177.900000114.4G43G43-G45 PolarHBondContact O-N 3.12Å
46D82.8Confident88.6Confident85 Ų8574.7 Ų74.746%0.45539%0.39SS..G310 helixtrans-92.2-1.1-179.3-72.8-39.3000113.3Q39 R42 G43 P44 N48Q39-D46 VanDerWaalsContact CD-O 3.22Å; Q39-D46 HydrophobicContact CG-CB 4.27Å; Q39-D46 VanDerWaalsContact CG-O 3.29Å; Q39-D46 WeakPolarHBondContact CG-O 3.03Å; Q39-D46 PolarHBondContact NE2-O 3.09Å; R42-D46 HydrophobicContact CB-CB 4.45Å; R42-D46 WeakPolarHBondContact CB-OD2 3.24Å; G43-D46 PolarHBondContact O-N 3.27Å; P44-D46 VanDerWaalsContact C-N 3.28Å; P44-D46 PolarHBondContact O-N 3.35Å; D46-N48 PolarHBondContact O-N 3.02Å
47I85.2Confident88.8Confident35 Ų3576.3 Ų76.318%0.17940%0.398CS..  trans-78.7106.2-179.7-58175000109.3L4 L40 L49 W54L4-I47 HydrophobicContact CD2-CD1 3.75Å; L4-I47 HydrophobicContact CG-CD1 4.28Å; L40-I47 HydrophobicContact CD2-CD1 3.38Å; L40-I47 HydrophobicContact CD2-CG1 3.76Å; I47-L49 HydrophobicContact CG2-CD2 3.7Å; I47-L49 HydrophobicContact CG2-CG 4.1Å; I47-W54 HydrophobicContact CG2-CZ2 3.91Å
48N87.1Confident89Confident85 Ų8577 Ų7746%0.45540%0.403SS..  trans-102.999.9168.4-178.49.7000110.3D46 Q50 D51 W54D46-N48 PolarHBondContact O-N 3.02Å; N48-Q50 PolarHBondContact O-N 2.89Å; N48-Q50 WeakPolarHBondContact OD1-CB 3.48Å; N48-Q50 PolarHBondContact OD1-N 3.3Å; N48-D51 HydrophobicContact CB-CB 4.45Å; N48-D51 VanDerWaalsContact O-CB 3.25Å; N48-D51 WeakPolarHBondContact O-CB 3.48Å; N48-D51 PolarHBondContact O-N 3Å; N48-D51 VanDerWaalsContact O-N 3.13Å; N48-W54 PolarHBondContact O-NE1 2.65Å
49L86.2Confident89.3Confident61 Ų6171.9 Ų71.932%0.31938%0.379SS..THydrogen-bonded Turntrans-68.7-9.2178.7-62-179.5000114A8 I12 I47 W54A8-L49 HydrophobicContact CB-CD2 4.32Å; I12-L49 HydrophobicContact CD1-CD2 4.4Å; I47-L49 HydrophobicContact CG2-CD2 3.7Å; I47-L49 HydrophobicContact CG2-CG 4.1Å; L49-W54 HydrophobicContact CD2-CD2 3.71Å; L49-W54 HydrophobicContact CD2-CE3 3.75Å; L49-W54 HydrophobicContact CD2-CG 4.26Å; L49-W54 HydrophobicContact CD2-CH2 4.19Å; L49-W54 HydrophobicContact CD2-CZ2 4.17Å; L49-W54 HydrophobicContact CD2-CZ3 4Å
50Q87.9Confident89.7Confident158 Ų15870.8 Ų70.874%0.73837%0.374SS*.THydrogen-bonded Turntrans-85.7-9.9174.3-56-61.2-15.200112.9N48N48-Q50 PolarHBondContact O-N 2.89Å; N48-Q50 WeakPolarHBondContact OD1-CB 3.48Å; N48-Q50 PolarHBondContact OD1-N 3.3Å
51D90.8Very high90.2Very high40 Ų4069 Ų6921%0.21436%0.364CS..SBendtrans-63138.3175.4178.7-44.5000110.3N48 R53 W54N48-D51 HydrophobicContact CB-CB 4.45Å; N48-D51 VanDerWaalsContact O-CB 3.25Å; N48-D51 WeakPolarHBondContact O-CB 3.48Å; N48-D51 PolarHBondContact O-N 3Å; N48-D51 VanDerWaalsContact O-N 3.13Å; D51-R53 VanDerWaalsContact CG-NE 3.34Å; D51-R53 PolarHBondContact O-N 2.93Å; D51-R53 VanDerWaalsContact O-N 3.09Å; D51-R53 VanDerWaalsContact OD1-CB 3.24Å; D51-R53 WeakPolarHBondContact OD1-CB 3.44Å; D51-R53 WeakPolarHBondContact OD1-CG 3.31Å; D51-R53 IonicContact OD1-CZ 3.95Å; D51-R53 PolarHBondContact OD1-N 3.35Å; D51-R53 IonicContact OD1-NE 3Å; D51-R53 PolarHBondContact OD1-NE 3.33Å; D51-R53 IonicContact OD2-CZ 3.23Å; D51-R53 VanDerWaalsContact OD2-CZ 3.23Å; D51-R53 IonicContact OD2-NE 3.02Å; D51-R53 PolarHBondContact OD2-NE 3.15Å; D51-R53 IonicContact OD2-NH2 2.65Å; D51-R53 PolarHBondContact OD2-NH2 3.43Å; D51-W54 WeakPolarHBondContact O-CB 3.45Å; D51-W54 PolarHBondContact O-N 2.94Å
52E92.8Very high90.7Very high169 Ų16962.9 Ų62.979%0.7933%0.333SS*.G310 helixtrans-55.8-29.1-176.3-66.5-174.8160.900112.9W54 Q55E52-W54 PolarHBondContact O-N 2.78Å; E52-Q55 VanDerWaalsContact O-CB 3.31Å; E52-Q55 WeakPolarHBondContact O-CB 3.43Å; E52-Q55 WeakPolarHBondContact O-CG 3.3Å; E52-Q55 PolarHBondContact O-N 3.11Å
53R94Very high91.2Very high65 Ų6554 Ų5425%0.24530%0.299CS..G310 helixtrans-60.4-26.8176-62.1177.3-70.5161.93.3112.4V32 S35 L36 D51 Q55V32-R53 HydrophobicContact CG1-CB 3.72Å; V32-R53 HydrophobicContact CG1-CG 3.72Å; S35-R53 PolarHBondContact OG-NH1 2.97Å; L36-R53 HydrophobicContact CD1-CB 4.16Å; L36-R53 HydrophobicContact CD2-CB 3.81Å; L36-R53 HydrophobicContact CG-CB 4.09Å; D51-R53 VanDerWaalsContact CG-NE 3.34Å; D51-R53 PolarHBondContact O-N 2.93Å; D51-R53 VanDerWaalsContact O-N 3.09Å; D51-R53 VanDerWaalsContact OD1-CB 3.24Å; D51-R53 WeakPolarHBondContact OD1-CB 3.44Å; D51-R53 WeakPolarHBondContact OD1-CG 3.31Å; D51-R53 IonicContact OD1-CZ 3.95Å; D51-R53 PolarHBondContact OD1-N 3.35Å; D51-R53 IonicContact OD1-NE 3Å; D51-R53 PolarHBondContact OD1-NE 3.33Å; D51-R53 IonicContact OD2-CZ 3.23Å; D51-R53 VanDerWaalsContact OD2-CZ 3.23Å; D51-R53 IonicContact OD2-NE 3.02Å; D51-R53 PolarHBondContact OD2-NE 3.15Å; D51-R53 IonicContact OD2-NH2 2.65Å; D51-R53 PolarHBondContact OD2-NH2 3.43Å; R53-Q55 VanDerWaalsContact C-N 3.28Å; R53-Q55 PolarHBondContact O-N 3.48Å
54W94.4Very high91.9Very high0 Ų053.6 Ų53.60%029%0.292CS..G310 helixtrans-85.27.3175.3-68.393.6000113.9I5 I12 L36 L40 I47 N48 L49 D51 E52 I60 L63I5-W54 HydrophobicContact CD1-CH2 3.73Å; I5-W54 HydrophobicContact CD1-CZ3 4.24Å; I12-W54 HydrophobicContact CD1-CE3 3.84Å; I12-W54 HydrophobicContact CD1-CZ3 4.44Å; L36-W54 HydrophobicContact CD2-CD2 4.47Å; L36-W54 HydrophobicContact CD2-CZ2 4.19Å; L40-W54 HydrophobicContact CD2-CH2 4.5Å; I47-W54 HydrophobicContact CG2-CZ2 3.91Å; N48-W54 PolarHBondContact O-NE1 2.65Å; L49-W54 HydrophobicContact CD2-CD2 3.71Å; L49-W54 HydrophobicContact CD2-CE3 3.75Å; L49-W54 HydrophobicContact CD2-CG 4.26Å; L49-W54 HydrophobicContact CD2-CH2 4.19Å; L49-W54 HydrophobicContact CD2-CZ2 4.17Å; L49-W54 HydrophobicContact CD2-CZ3 4Å; D51-W54 WeakPolarHBondContact O-CB 3.45Å; D51-W54 PolarHBondContact O-N 2.94Å; E52-W54 PolarHBondContact O-N 2.78Å; W54-I60 HydrophobicContact CE3-CG1 4.4Å; W54-I60 WeakPolarHBondContact O-CD1 3.48Å; W54-L63 HydrophobicContact CH2-CD2 3.94Å; W54-L63 HydrophobicContact CZ3-CD2 4.14Å
55Q93.8Very high93Very high84 Ų8452.7 Ų52.739%0.39328%0.279SS..THydrogen-bonded Turntrans-97.7-19.9176.8-51.3-56.7-43.400112.7E52 R53 L57E52-Q55 VanDerWaalsContact O-CB 3.31Å; E52-Q55 WeakPolarHBondContact O-CB 3.43Å; E52-Q55 WeakPolarHBondContact O-CG 3.3Å; E52-Q55 PolarHBondContact O-N 3.11Å; R53-Q55 VanDerWaalsContact C-N 3.28Å; R53-Q55 PolarHBondContact O-N 3.48Å; Q55-L57 PolarHBondContact O-N 3.41Å
56D96.2Very high93.7Very high68 Ų6849.5 Ų49.536%0.36424%0.244SC..  trans-83.2109.7177.3-177.6-25.2000111.2N58 V59 I60D56-N58 VanDerWaalsContact C-N 3.31Å; D56-N58 PolarHBondContact O-N 3.06Å; D56-N58 WeakPolarHBondContact OD1-CA 3.2Å; D56-N58 WeakPolarHBondContact OD1-CB 3.24Å; D56-N58 PolarHBondContact OD1-N 3.18Å; D56-V59 HydrophobicContact CB-CB 3.89Å; D56-V59 HydrophobicContact CB-CG2 3.84Å; D56-V59 WeakPolarHBondContact O-CB 3.28Å; D56-V59 PolarHBondContact O-N 3.35Å; D56-V59 PolarHBondContact OD1-N 3.43Å; D56-V59 WeakPolarHBondContact OD2-CG2 3.47Å; D56-I60 WeakPolarHBondContact O-CD1 3.42Å; D56-I60 VanDerWaalsContact O-CG1 3.24Å; D56-I60 WeakPolarHBondContact O-CG1 3.28Å; D56-I60 PolarHBondContact O-N 3.32Å
57L97.3Very high94.3Very high33 Ų3348.2 Ų48.217%0.17323%0.234CC..Hα-helixtrans-64.2-31.9-178.3-64.9167.9000113.7I12 R16 I23 Q55 I60 S61I12-L57 HydrophobicContact CG2-CD2 4.17Å; R16-L57 HydrophobicContact CB-CD2 3.98Å; R16-L57 WeakPolarHBondContact O-CD1 3.41Å; I23-L57 HydrophobicContact CD1-CB 3.97Å; Q55-L57 PolarHBondContact O-N 3.41Å; L57-I60 PolarHBondContact O-N 2.95Å; L57-S61 WeakPolarHBondContact O-CB 3.37Å; L57-S61 PolarHBondContact O-N 3.23Å; L57-S61 PolarHBondContact O-OG 2.84Å
58N97.9Very high94.8Very high41 Ų4149.5 Ų49.522%0.21924%0.239CC..Hα-helixtrans-72.8-36.2176.7-66.7-32.8000110.1G28 D56 S61 S62G28-N58 WeakPolarHBondContact CA-O 3.3Å; G28-N58 PolarHBondContact N-O 3.37Å; D56-N58 VanDerWaalsContact C-N 3.31Å; D56-N58 PolarHBondContact O-N 3.06Å; D56-N58 WeakPolarHBondContact OD1-CA 3.2Å; D56-N58 WeakPolarHBondContact OD1-CB 3.24Å; D56-N58 PolarHBondContact OD1-N 3.18Å; N58-S61 PolarHBondContact O-OG 3.5Å; N58-S62 WeakPolarHBondContact O-CB 3.42Å; N58-S62 PolarHBondContact O-N 3.18Å; N58-S62 PolarHBondContact O-OG 2.92Å
59V98Very high95.2Very high1 Ų155.1 Ų55.11%0.00625%0.254CS..Hα-helixtrans-63.4-47.8171.1168.40000110.8N29 V32 V33 L36 D56 S61 S62 L63N29-V59 HydrophobicContact CB-CG2 4.35Å; V32-V59 HydrophobicContact CB-CG1 4.22Å; V32-V59 HydrophobicContact CB-CG2 4.09Å; V32-V59 HydrophobicContact CG1-CG1 3.74Å; V32-V59 HydrophobicContact CG1-CG2 4.17Å; V33-V59 HydrophobicContact CG2-CB 4.44Å; V33-V59 HydrophobicContact CG2-CG1 4.01Å; L36-V59 HydrophobicContact CD1-CG1 3.7Å; D56-V59 HydrophobicContact CB-CB 3.89Å; D56-V59 HydrophobicContact CB-CG2 3.84Å; D56-V59 WeakPolarHBondContact O-CB 3.28Å; D56-V59 PolarHBondContact O-N 3.35Å; D56-V59 PolarHBondContact OD1-N 3.43Å; D56-V59 WeakPolarHBondContact OD2-CG2 3.47Å; V59-S61 PolarHBondContact O-N 2.97Å; V59-S62 PolarHBondContact O-N 2.89Å; V59-L63 VanDerWaalsContact O-CB 3.3Å; V59-L63 WeakPolarHBondContact O-CB 3.4Å; V59-L63 PolarHBondContact O-N 2.95Å
60I97.4Very high95.5Very high0 Ų058.5 Ų58.50%027%0.266CS..Hα-helixtrans-64.5-43.8-177.7-65.2161.5000111.6C9 I12 V13 W54 D56 L57 L63 L64C9-I60 HydrophobicContact CB-CG2 3.96Å; I12-I60 HydrophobicContact CB-CD1 4.33Å; I12-I60 HydrophobicContact CB-CG2 4.44Å; I12-I60 HydrophobicContact CD1-CD1 4.29Å; I12-I60 HydrophobicContact CG2-CD1 3.46Å; I12-I60 VanDerWaalsContact CG2-CD1 3.46Å; V13-I60 HydrophobicContact CG2-CG2 4.08Å; W54-I60 HydrophobicContact CE3-CG1 4.4Å; W54-I60 WeakPolarHBondContact O-CD1 3.48Å; D56-I60 WeakPolarHBondContact O-CD1 3.42Å; D56-I60 VanDerWaalsContact O-CG1 3.24Å; D56-I60 WeakPolarHBondContact O-CG1 3.28Å; D56-I60 PolarHBondContact O-N 3.32Å; L57-I60 PolarHBondContact O-N 2.95Å; I60-L63 WeakPolarHBondContact O-CB 3.38Å; I60-L63 PolarHBondContact O-N 3.5Å; I60-L64 PolarHBondContact O-N 3.22Å
61S98.3Very high95.7Very high0 Ų053.6 Ų53.60%024%0.244CC..Hα-helixtrans-67.8-38.2176.261.50000112L57 N58 V59 L64 K65L57-S61 WeakPolarHBondContact O-CB 3.37Å; L57-S61 PolarHBondContact O-N 3.23Å; L57-S61 PolarHBondContact O-OG 2.84Å; N58-S61 PolarHBondContact O-OG 3.5Å; V59-S61 PolarHBondContact O-N 2.97Å; S61-L64 PolarHBondContact O-N 3.29Å; S61-K65 WeakPolarHBondContact O-CE 3.34Å; S61-K65 WeakPolarHBondContact O-CG 3.39Å; S61-K65 PolarHBondContact O-N 3.01Å
62S98.4Very high95.7Very high14 Ų1458.4 Ų58.410%0.09828%0.278CS..Hα-helixtrans-63.4-39.5171.3-82.90000113G28 N58 V59 K65 S66G28-S62 PolarHBondContact N-OG 3.24Å; G28-S62 VanDerWaalsContact N-OG 3.09Å; N58-S62 WeakPolarHBondContact O-CB 3.42Å; N58-S62 PolarHBondContact O-N 3.18Å; N58-S62 PolarHBondContact O-OG 2.92Å; V59-S62 PolarHBondContact O-N 2.89Å; S62-K65 PolarHBondContact O-N 3.47Å; S62-S66 WeakPolarHBondContact O-CB 3.31Å; S62-S66 PolarHBondContact O-N 3.4Å
63L97.6Very high95.7Very high2 Ų256.1 Ų56.11%0.0127%0.267CS..Hα-helixtrans-61.7-47.8176.6179.161.4000111I5 V33 L36 Q37 L40 W54 V59 I60 S66 F67I5-L63 HydrophobicContact CD1-CD2 3.8Å; I5-L63 HydrophobicContact CD1-CG 4.1Å; V33-L63 HydrophobicContact CG1-CD1 4.41Å; L36-L63 HydrophobicContact CB-CD1 4.26Å; L36-L63 HydrophobicContact CB-CD2 3.83Å; L36-L63 HydrophobicContact CD1-CD2 3.89Å; Q37-L63 HydrophobicContact CG-CD1 3.39Å; L40-L63 HydrophobicContact CD1-CD1 4Å; L40-L63 HydrophobicContact CD1-CD2 4.15Å; L40-L63 HydrophobicContact CD1-CG 4.36Å; W54-L63 HydrophobicContact CH2-CD2 3.94Å; W54-L63 HydrophobicContact CZ3-CD2 4.14Å; V59-L63 VanDerWaalsContact O-CB 3.3Å; V59-L63 WeakPolarHBondContact O-CB 3.4Å; V59-L63 PolarHBondContact O-N 2.95Å; I60-L63 WeakPolarHBondContact O-CB 3.38Å; I60-L63 PolarHBondContact O-N 3.5Å; L63-S66 PolarHBondContact O-N 3.47Å; L63-F67 PolarHBondContact O-N 3.09Å
64L97.7Very high95.6Very high9 Ų956.6 Ų56.65%0.04728%0.279CS..Hα-helixtrans-60.1-48176.9-177.457.8000112V6 C9 Y24 I60 S61 S66 F67 F68V6-L64 HydrophobicContact CB-CD1 4.33Å; V6-L64 HydrophobicContact CG1-CD1 4.29Å; V6-L64 HydrophobicContact CG2-CD1 4.15Å; C9-L64 HydrophobicContact CB-CB 3.85Å; C9-L64 HydrophobicContact CB-CD1 4.07Å; C9-L64 HydrophobicContact CB-CD2 4Å; C9-L64 HydrophobicContact CB-CG 4.19Å; Y24-L64 HydrophobicContact CE1-CD2 4.17Å; I60-L64 PolarHBondContact O-N 3.22Å; S61-L64 PolarHBondContact O-N 3.29Å; L64-S66 VanDerWaalsContact C-N 3.31Å; L64-S66 PolarHBondContact O-N 3.06Å; L64-F67 WeakPolarHBondContact O-CB 3.21Å; L64-F67 PolarHBondContact O-N 2.79Å; L64-F68 HydrophobicContact CD1-CD2 4.18Å; L64-F68 HydrophobicContact CD1-CE2 3.47Å; L64-F68 VanDerWaalsContact CD1-CE2 3.47Å; L64-F68 HydrophobicContact CD1-CZ 4.02Å; L64-F68 HydrophobicContact CD2-CE2 4.48Å; L64-F68 HydrophobicContact CG-CD2 4.28Å; L64-F68 HydrophobicContact CG-CE2 3.78Å; L64-F68 VanDerWaalsContact O-CD2 3.31Å; L64-F68 WeakPolarHBondContact O-CD2 3.44Å; L64-F68 PolarHBondContact O-N 3.23Å
65K97.7Very high95.5Very high79 Ų7961.6 Ų61.634%0.34331%0.305SS..Hα-helixtrans-58.6-43.7175.8-72.7-179.3-63.8177.80111.6Y24 S61 S62 F67 F68 R69Y24-K65 HydrophobicContact CD1-CD 4.49Å; Y24-K65 HydrophobicContact CD1-CG 4.43Å; Y24-K65 PolarHBondContact O-NZ 3.22Å; S61-K65 WeakPolarHBondContact O-CE 3.34Å; S61-K65 WeakPolarHBondContact O-CG 3.39Å; S61-K65 PolarHBondContact O-N 3.01Å; S62-K65 PolarHBondContact O-N 3.47Å; K65-F67 VanDerWaalsContact C-N 3.3Å; K65-F67 PolarHBondContact O-N 3Å; K65-F68 PolarHBondContact O-N 3.49Å; K65-R69 PolarHBondContact O-N 3.42Å; K65-R69 VanDerWaalsContact O-N 3.1Å
66S96.6Very high95.3Very high10 Ų1064.3 Ų64.37%0.0732%0.315CS..Hα-helixtrans-68.5-28.7179.7-1740000113Q37 S62 L63 L64 K70Q37-S66 PolarHBondContact NE2-OG 3.1Å; S62-S66 WeakPolarHBondContact O-CB 3.31Å; S62-S66 PolarHBondContact O-N 3.4Å; L63-S66 PolarHBondContact O-N 3.47Å; L64-S66 VanDerWaalsContact C-N 3.31Å; L64-S66 PolarHBondContact O-N 3.06Å; S66-K70 WeakPolarHBondContact O-CB 3.42Å; S66-K70 VanDerWaalsContact O-CG 3.28Å; S66-K70 WeakPolarHBondContact O-CG 3.41Å; S66-K70 PolarHBondContact O-N 3.16Å
67F95Very high94.8Very high58 Ų5863.5 Ų63.525%0.25431%0.313SS..Hα-helixtrans-62.7-52.6173.9172.9-97.7000110.3P3 I5 V6 L63 L64 K65 R69 K70 L71P3-F67 HydrophobicContact CB-CE1 4.44Å; P3-F67 HydrophobicContact CB-CZ 3.96Å; P3-F67 HydrophobicContact CG-CE1 4.18Å; P3-F67 HydrophobicContact CG-CZ 3.83Å; I5-F67 HydrophobicContact CG2-CD1 4.36Å; I5-F67 HydrophobicContact CG2-CD2 3.71Å; I5-F67 HydrophobicContact CG2-CE1 4.34Å; I5-F67 HydrophobicContact CG2-CE2 3.68Å; I5-F67 HydrophobicContact CG2-CG 4.06Å; I5-F67 HydrophobicContact CG2-CZ 4.01Å; V6-F67 HydrophobicContact CG2-CD1 3.7Å; V6-F67 HydrophobicContact CG2-CE1 3.5Å; V6-F67 VanDerWaalsContact CG2-CE1 3.5Å; V6-F67 HydrophobicContact CG2-CZ 4.37Å; L63-F67 PolarHBondContact O-N 3.09Å; L64-F67 WeakPolarHBondContact O-CB 3.21Å; L64-F67 PolarHBondContact O-N 2.79Å; K65-F67 VanDerWaalsContact C-N 3.3Å; K65-F67 PolarHBondContact O-N 3Å; F67-R69 PolarHBondContact O-N 3.25Å; F67-K70 PolarHBondContact O-N 2.86Å; F67-K70 VanDerWaalsContact O-N 3.12Å; F67-L71 HydrophobicContact CE1-CD2 3.98Å; F67-L71 HydrophobicContact CE2-CD2 4.43Å; F67-L71 HydrophobicContact CZ-CD2 3.86Å; F67-L71 PolarHBondContact O-N 3.15Å
68F95.8Very high93.9Very high63 Ų6369 Ų6928%0.27634%0.343SS..Hα-helixtrans-61.9-40.2179.3-67.6-58.6000113.2V6 L64 K65 K70 L71 L75V6-F68 HydrophobicContact CG1-CZ 3.98Å; V6-F68 HydrophobicContact CG2-CE1 4.09Å; V6-F68 HydrophobicContact CG2-CZ 3.88Å; L64-F68 HydrophobicContact CD1-CD2 4.18Å; L64-F68 HydrophobicContact CD1-CE2 3.47Å; L64-F68 VanDerWaalsContact CD1-CE2 3.47Å; L64-F68 HydrophobicContact CD1-CZ 4.02Å; L64-F68 HydrophobicContact CD2-CE2 4.48Å; L64-F68 HydrophobicContact CG-CD2 4.28Å; L64-F68 HydrophobicContact CG-CE2 3.78Å; L64-F68 VanDerWaalsContact O-CD2 3.31Å; L64-F68 WeakPolarHBondContact O-CD2 3.44Å; L64-F68 PolarHBondContact O-N 3.23Å; K65-F68 PolarHBondContact O-N 3.49Å; F68-K70 PolarHBondContact O-N 3.13Å; F68-L71 HydrophobicContact CD1-CD1 3.89Å; F68-L71 PolarHBondContact O-N 2.95Å; F68-L75 HydrophobicContact CD1-CB 4.33Å; F68-L75 HydrophobicContact CD1-CD1 4.32Å; F68-L75 HydrophobicContact CD1-CD2 4.05Å; F68-L75 HydrophobicContact CD1-CG 4.48Å; F68-L75 HydrophobicContact CE1-CD1 4.03Å; F68-L75 HydrophobicContact CE1-CD2 3.88Å; F68-L75 HydrophobicContact CE1-CG 4.46Å; F68-L75 HydrophobicContact CZ-CD2 4.35Å
69R95.1Very high92.7Very high203 Ų20370 Ų7077%0.76636%0.363SS*.Hα-helixtrans-63.7-25.4177.4-172.3175.963.9177.8-1.6113.4K65 F67K65-R69 PolarHBondContact O-N 3.42Å; K65-R69 VanDerWaalsContact O-N 3.1Å; F67-R69 PolarHBondContact O-N 3.25Å
70K92Very high91.2Very high132 Ų13272.2 Ų72.257%0.57438%0.381SS*.THydrogen-bonded Turntrans-96.1-0.1-177.7-73.8-179.5174.5-1710113.2S66 F67 F68S66-K70 WeakPolarHBondContact O-CB 3.42Å; S66-K70 VanDerWaalsContact O-CG 3.28Å; S66-K70 WeakPolarHBondContact O-CG 3.41Å; S66-K70 PolarHBondContact O-N 3.16Å; F67-K70 PolarHBondContact O-N 2.86Å; F67-K70 VanDerWaalsContact O-N 3.12Å; F68-K70 PolarHBondContact O-N 3.13Å
71L92.2Very high89.7Confident54 Ų5477.4 Ų77.428%0.28341%0.408SS..  trans-61.9140.5175.7-67.6174.6000109.9F67 F68 E73F67-L71 HydrophobicContact CE1-CD2 3.98Å; F67-L71 HydrophobicContact CE2-CD2 4.43Å; F67-L71 HydrophobicContact CZ-CD2 3.86Å; F67-L71 PolarHBondContact O-N 3.15Å; F68-L71 HydrophobicContact CD1-CD1 3.89Å; F68-L71 PolarHBondContact O-N 2.95Å; L71-E73 WeakPolarHBondContact CB-O 3.36Å; L71-E73 PolarHBondContact O-N 3.02Å
72P92.4Very high88Confident142 Ų14284.8 Ų84.892%0.92245%0.447SS*.SBendtrans-59.8-34.3175.7-23.333.3000112.7
73E92.4Very high86.2Confident121 Ų12196.5 Ų96.557%0.56550%0.497SS*.SBendtrans-120135.1173.3-170178.5-169.700108.1L71 T77L71-E73 WeakPolarHBondContact CB-O 3.36Å; L71-E73 PolarHBondContact O-N 3.02Å; E73-T77 VanDerWaalsContact CD-CG2 3.46Å; E73-T77 HydrophobicContact CG-CG2 3.98Å; E73-T77 WeakPolarHBondContact OE1-CB 3.4Å; E73-T77 WeakPolarHBondContact OE1-CG2 3.4Å
74P91.9Very high85.6Confident75 Ų75101.3 Ų101.349%0.48752%0.521SS..  trans-57.9153.2178.424.4-34.2000111.5F76P74-F76 WeakPolarHBondContact CB-O 3.4Å; P74-F76 VanDerWaalsContact CG-O 3.28Å; P74-F76 WeakPolarHBondContact CG-O 3.4Å; P74-F76 CarbonylContact O-C 3.59Å; P74-F76 PolarHBondContact O-N 2.86Å
75L91.5Very high85Confident105 Ų105106.1 Ų106.155%0.5555%0.546SS..SBendtrans-55.4-37.7179.8-178.664.7000112.3F68F68-L75 HydrophobicContact CD1-CB 4.33Å; F68-L75 HydrophobicContact CD1-CD1 4.32Å; F68-L75 HydrophobicContact CD1-CD2 4.05Å; F68-L75 HydrophobicContact CD1-CG 4.48Å; F68-L75 HydrophobicContact CE1-CD1 4.03Å; F68-L75 HydrophobicContact CE1-CD2 3.88Å; F68-L75 HydrophobicContact CE1-CG 4.46Å; F68-L75 HydrophobicContact CZ-CD2 4.35Å
76F89.7Confident84.2Confident140 Ų140107.6 Ų107.661%0.61456%0.557SS**SBendtrans-98.6115.3167.9-59.7-72.4000108P74 L81P74-F76 WeakPolarHBondContact CB-O 3.4Å; P74-F76 VanDerWaalsContact CG-O 3.28Å; P74-F76 WeakPolarHBondContact CG-O 3.4Å; P74-F76 CarbonylContact O-C 3.59Å; P74-F76 PolarHBondContact O-N 2.86Å; F76-L81 HydrophobicContact CB-CD2 3.96Å; F76-L81 HydrophobicContact CB-CG 4.49Å
77T86.8Confident83.5Confident51 Ų51113.4 Ų113.431%0.31359%0.586SS.*  trans-79.6159178670000109.9E73 G79 A80E73-T77 VanDerWaalsContact CD-CG2 3.46Å; E73-T77 HydrophobicContact CG-CG2 3.98Å; E73-T77 WeakPolarHBondContact OE1-CB 3.4Å; E73-T77 WeakPolarHBondContact OE1-CG2 3.4Å; T77-G79 PolarHBondContact O-N 2.74Å; T77-G79 VanDerWaalsContact O-N 3.08Å; T77-A80 WeakPolarHBondContact O-CB 3.45Å; T77-A80 PolarHBondContact O-N 3.2Å
78D76.8Confident82.8Confident149 Ų149116.8 Ų116.880%0.79761%0.607SS**G310 helixtrans-57.5-30.1-173.7-65.1-26000113.4A80D78-A80 VanDerWaalsContact C-N 3.33Å
79G73.3Confident81.9Confident63 Ų63120.4 Ų120.465%0.64963%0.629SS**G310 helixtrans-78.5-11176.100000115T77T77-G79 PolarHBondContact O-N 2.74Å; T77-G79 VanDerWaalsContact O-N 3.08Å
80A66.7Low81Confident47 Ų47114.5 Ų114.539%0.38862%0.619SS.*G310 helixtrans-94.3-12.1-178.100000113.4T77 D78 L82T77-A80 WeakPolarHBondContact O-CB 3.45Å; T77-A80 PolarHBondContact O-N 3.2Å; D78-A80 VanDerWaalsContact C-N 3.33Å; A80-L82 PolarHBondContact O-N 2.95Å; A80-L82 VanDerWaalsContact O-N 3.12Å
81L66.5Low80.1Confident108 Ų108113.2 Ų113.257%0.56562%0.622SS**  trans-85.248.2179.2-63175.4000112.3F76 F83F76-L81 HydrophobicContact CB-CD2 3.96Å; F76-L81 HydrophobicContact CB-CG 4.49Å; L81-F83 PolarHBondContact O-N 3.28Å; L81-F83 VanDerWaalsContact O-N 3.17Å
82L61.9Low79.1Confident156 Ų156118.1 Ų118.182%0.81765%0.651SS**  trans-83.430.9177-71.9174.5000113.6A80A80-L82 PolarHBondContact O-N 2.95Å; A80-L82 VanDerWaalsContact O-N 3.12Å
83F59.9Low77.9Confident260 Ų260115.9 Ų115.9100%1.1463%0.626SS**  trans-125.70167.7-36.3-77.7000109.1L81L81-F83 PolarHBondContact O-N 3.28Å; L81-F83 VanDerWaalsContact O-N 3.17Å

Retrieved 83 of 83 residues in 231.1 ms (Link to these results)

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