A0A087WNQ8_MOUSE Loading...

Opioid growth factor receptor-like 1

AlphaFold DB , UniProt , Accession A0A087WNQ8, Species MOUSE (Mus musculus, Mouse), Gene Ogfrl1, Length 92 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
1M58.6Low91.5Very high193 Ų19375.6 Ų75.695%0.95137%0.366SS*.  0160.70-93.1-173.8-56.800110.6L3 E4M1-L3 PolarHBondContact O-N 3.33Å; M1-E4 PolarHBondContact N-OE2 3.19Å; M1-E4 WeakPolarHBondContact O-CB 3.38Å; M1-E4 PolarHBondContact O-N 2.9Å
2M84.8Confident91.7Very high130 Ų13073.9 Ų73.964%0.6436%0.36SS*.THydrogen-bonded Turntrans-34.6-37.1-163.5-170.6-179.7-77.600118.1F5 F6 I43M2-F5 WeakPolarHBondContact O-CB 3.49Å; M2-F6 WeakPolarHBondContact O-CD2 2.81Å; M2-F6 WeakPolarHBondContact O-CE2 3.43Å; M2-I43 HydrophobicContact CG-CD1 3.86Å; M2-I43 HydrophobicContact SD-CD1 3.51Å; M2-I43 VanDerWaalsContact SD-CD1 3.51Å; M2-I43 HydrophobicContact SD-CG1 3.56Å; M2-I43 VanDerWaalsContact SD-CG1 3.56Å
3L91.7Very high91.7Very high39 Ų3983.5 Ų83.520%0.20440%0.399CS..THydrogen-bonded Turntrans-73-33.6176.5-67.2-179.5000114.3M1 F5 F6 G7 I8 V17 L59M1-L3 PolarHBondContact O-N 3.33Å; L3-F5 PolarHBondContact O-N 3.05Å; L3-F6 CarbonylContact O-C 3.53Å; L3-F6 WeakPolarHBondContact O-CA 3.34Å; L3-F6 WeakPolarHBondContact O-CB 3.45Å; L3-F6 PolarHBondContact O-N 3.4Å; L3-G7 PolarHBondContact O-N 2.82Å; L3-I8 CarbonylContact C-O 3.57Å; L3-I8 HydrophobicContact CB-CB 4.16Å; L3-I8 HydrophobicContact CB-CG2 4.42Å; L3-I8 VanDerWaalsContact CB-O 3.32Å; L3-I8 WeakPolarHBondContact CB-O 3.37Å; L3-I8 PolarHBondContact O-N 2.91Å; L3-I8 VanDerWaalsContact O-N 3.08Å; L3-V17 HydrophobicContact CD1-CG1 4.07Å; L3-L59 HydrophobicContact CD2-CD1 4.29Å; L3-L59 HydrophobicContact CD2-CD2 4.21Å
4E94.6Very high91.5Very high99 Ų9983.5 Ų83.546%0.46341%0.407SS..G310 helixtrans-65.9-25179.8-75.3175.5144.200111.6M1 F6 G7 I8 K9 A20M1-E4 PolarHBondContact N-OE2 3.19Å; M1-E4 WeakPolarHBondContact O-CB 3.38Å; M1-E4 PolarHBondContact O-N 2.9Å; E4-F6 PolarHBondContact O-N 2.86Å; E4-G7 PolarHBondContact O-N 3.45Å; E4-I8 WeakPolarHBondContact CA-O 3.18Å; E4-I8 PolarHBondContact N-O 3.23Å; E4-K9 HydrophobicContact CG-CB 4.47Å; E4-A20 HydrophobicContact CG-CB 4.34Å
5F95.7Very high91.6Very high86 Ų8678 Ų7838%0.37738%0.381SS..G310 helixtrans-57.1-31.3170.2176.3-88.7000111.7M2 L3 R26M2-F5 WeakPolarHBondContact O-CB 3.49Å; L3-F5 PolarHBondContact O-N 3.05Å; F5-R26 WeakPolarHBondContact O-CD 3.23Å
6F96.8Very high91.9Very high4 Ų477.1 Ų77.12%0.01838%0.378CS..G310 helixtrans-96.67.6176.5-52.7-72.3000113.1M2 L3 E4 I8 F27 L30 N36 R39 I40 I43M2-F6 WeakPolarHBondContact O-CD2 2.81Å; M2-F6 WeakPolarHBondContact O-CE2 3.43Å; L3-F6 CarbonylContact O-C 3.53Å; L3-F6 WeakPolarHBondContact O-CA 3.34Å; L3-F6 WeakPolarHBondContact O-CB 3.45Å; L3-F6 PolarHBondContact O-N 3.4Å; E4-F6 PolarHBondContact O-N 2.86Å; F6-I8 HydrophobicContact CB-CD1 4.39Å; F6-I8 HydrophobicContact CB-CG1 4.39Å; F6-F27 WeakPolarHBondContact O-CD1 3.47Å; F6-F27 VanDerWaalsContact O-CE1 3.27Å; F6-F27 WeakPolarHBondContact O-CE1 3.44Å; F6-L30 HydrophobicContact CD1-CD1 4.22Å; F6-N36 HydrophobicContact CD1-CB 4.36Å; F6-N36 HydrophobicContact CE1-CB 3.86Å; F6-R39 HydrophobicContact CZ-CB 4.19Å; F6-I40 HydrophobicContact CD1-CD1 4.35Å; F6-I40 HydrophobicContact CD1-CG1 4.43Å; F6-I40 HydrophobicContact CE1-CG1 4.24Å; F6-I40 HydrophobicContact CE2-CG1 4.46Å; F6-I40 HydrophobicContact CZ-CG1 4.26Å; F6-I43 HydrophobicContact CE2-CD1 3.68Å; F6-I43 HydrophobicContact CZ-CD1 4.26Å
7G97.8Very high92.2Very high0 Ų073.7 Ų73.70%036%0.363CS..THydrogen-bonded Turntrans78.819.2-176.700000114L3 E4 A20 W23 R26L3-G7 PolarHBondContact O-N 2.82Å; E4-G7 PolarHBondContact O-N 3.45Å; G7-A20 WeakPolarHBondContact O-CB 3.33Å; G7-A20 PolarHBondContact O-N 3.37Å; G7-W23 WeakPolarHBondContact O-CB 3.46Å; G7-R26 VanDerWaalsContact CA-CB 3.49Å
8I97.9Very high92.6Very high3 Ų371.3 Ų71.32%0.01536%0.357CS..EExtended strand (participates in β ladder)trans-118.5141.6-176.9-52.4178.2000109.1L3 E4 F6 V17 A18 F27 L59 F62 I63L3-I8 CarbonylContact C-O 3.57Å; L3-I8 HydrophobicContact CB-CB 4.16Å; L3-I8 HydrophobicContact CB-CG2 4.42Å; L3-I8 VanDerWaalsContact CB-O 3.32Å; L3-I8 WeakPolarHBondContact CB-O 3.37Å; L3-I8 PolarHBondContact O-N 2.91Å; L3-I8 VanDerWaalsContact O-N 3.08Å; E4-I8 WeakPolarHBondContact CA-O 3.18Å; E4-I8 PolarHBondContact N-O 3.23Å; F6-I8 HydrophobicContact CB-CD1 4.39Å; F6-I8 HydrophobicContact CB-CG1 4.39Å; I8-V17 HydrophobicContact CG2-CB 3.68Å; I8-V17 HydrophobicContact CG2-CG1 4.04Å; I8-V17 HydrophobicContact CG2-CG2 4.1Å; I8-A18 CarbonylContact C-O 3.58Å; I8-A18 WeakPolarHBondContact CA-O 3.29Å; I8-F27 HydrophobicContact CG1-CE1 4.15Å; I8-L59 HydrophobicContact CD1-CD1 4.05Å; I8-L59 HydrophobicContact CG2-CD1 4.41Å; I8-F62 HydrophobicContact CD1-CD1 4.02Å; I8-F62 HydrophobicContact CD1-CE1 3.87Å; I8-F62 HydrophobicContact CG1-CD1 4.35Å; I8-F62 HydrophobicContact CG1-CE1 3.76Å; I8-F62 HydrophobicContact CG2-CD1 4.38Å; I8-F62 HydrophobicContact CG2-CE1 4.23Å; I8-I63 HydrophobicContact CD1-CG1 4.47Å
9K96.8Very high92.9Very high94 Ų9471.3 Ų71.341%0.40935%0.352SS..EExtended strand (participates in β ladder)trans-125.7145.4173.166.4179178.7-175.20111.2E4 V17 A18 R19 A20E4-K9 HydrophobicContact CG-CB 4.47Å; K9-V17 CarbonylContact O-C 3.59Å; K9-V17 WeakPolarHBondContact O-CA 3.47Å; K9-V17 WeakPolarHBondContact O-CB 3.23Å; K9-A18 HydrophobicContact CG-CB 4.41Å; K9-A18 PolarHBondContact N-O 3.38Å; K9-A18 PolarHBondContact O-N 3.18Å; K9-R19 VanDerWaalsContact CE-O 3.27Å; K9-R19 WeakPolarHBondContact CE-O 3.31Å; K9-A20 HydrophobicContact CB-CB 4.31Å
10L96.2Very high93.1Very high86 Ų8667.9 Ų67.945%0.4534%0.336SS..EExtended strand (participates in β ladder)trans-75.1133.6169.8-17374.5000108.9D12 N16 V17 F55L10-D12 WeakPolarHBondContact CD1-O 3.49Å; L10-D12 WeakPolarHBondContact CD2-O 3.4Å; L10-D12 VanDerWaalsContact CG-O 3.31Å; L10-D12 WeakPolarHBondContact CG-O 3.44Å; L10-N16 WeakPolarHBondContact CD1-O 3.37Å; L10-V17 HydrophobicContact CD1-CG1 4.36Å; L10-F55 HydrophobicContact CD1-CD1 4.01Å; L10-F55 HydrophobicContact CD1-CE1 3.83Å; L10-F55 HydrophobicContact CD2-CE1 4.07Å
11I96.2Very high93.3Very high98 Ų9868.5 Ų68.550%0.50336%0.359SS..  trans-102.7-26.5-179.472.3178.6000112.9N16 A18I11-N16 HydrophobicContact CD1-CB 3.48Å; I11-N16 VanDerWaalsContact CD1-CB 3.48Å; I11-N16 HydrophobicContact CG1-CB 3.4Å; I11-N16 WeakPolarHBondContact CG1-O 3.24Å; I11-N16 PolarHBondContact N-O 3.14Å; I11-A18 HydrophobicContact CG2-CB 3.67Å
12D93.4Very high95.1Very high55 Ų5561.9 Ų61.929%0.29433%0.328SS..SBendtrans-152.7178.1-178.764.640.1000113.1L10 T14 G15 N16L10-D12 WeakPolarHBondContact CD1-O 3.49Å; L10-D12 WeakPolarHBondContact CD2-O 3.4Å; L10-D12 VanDerWaalsContact CG-O 3.31Å; L10-D12 WeakPolarHBondContact CG-O 3.44Å; D12-T14 VanDerWaalsContact CG-OG1 3.26Å; D12-T14 PolarHBondContact O-N 2.76Å; D12-T14 WeakPolarHBondContact OD1-CA 3.49Å; D12-T14 WeakPolarHBondContact OD1-CB 3.25Å; D12-T14 PolarHBondContact OD1-N 3.28Å; D12-T14 PolarHBondContact OD1-OG1 2.93Å; D12-T14 PolarHBondContact OD2-OG1 3.4Å; D12-G15 PolarHBondContact OD1-N 3.01Å; D12-N16 PolarHBondContact OD1-N 3.3Å; D12-N16 WeakPolarHBondContact OD2-CB 3.39Å; D12-N16 PolarHBondContact OD2-ND2 2.96Å
13K91.3Very high95.8Very high199 Ų19958.4 Ų58.487%0.86531%0.307SS*.THydrogen-bonded Turntrans-77.2-5.7-179.7-61.4-177.3-179.1178.80113.9F55K13-F55 WeakPolarHBondContact O-CZ 3.34Å
14T89.3Confident96.1Very high83 Ų8361.7 Ų61.751%0.50932%0.322SS..THydrogen-bonded Turntrans-91-7.4179720000112.5D12 N16D12-T14 VanDerWaalsContact CG-OG1 3.26Å; D12-T14 PolarHBondContact O-N 2.76Å; D12-T14 WeakPolarHBondContact OD1-CA 3.49Å; D12-T14 WeakPolarHBondContact OD1-CB 3.25Å; D12-T14 PolarHBondContact OD1-N 3.28Å; D12-T14 PolarHBondContact OD1-OG1 2.93Å; D12-T14 PolarHBondContact OD2-OG1 3.4Å; T14-N16 PolarHBondContact OG1-ND2 3.45Å; T14-N16 VanDerWaalsContact OG1-ND2 3.08Å
15G93.3Very high96.3Very high1 Ų161.9 Ų61.91%0.0132%0.323CS..  trans102.62.2176.300000114.1D12 F55 P58D12-G15 PolarHBondContact OD1-N 3.01Å; G15-F55 VanDerWaalsContact CA-CD1 3.43Å; G15-P58 WeakPolarHBondContact O-CB 3.19Å
16N96.1Very high96.4Very high64 Ų6461.1 Ų61.134%0.34232%0.317SS..  trans-62.9146.7178.1-68.1-46.4000110.9L10 I11 D12 T14L10-N16 WeakPolarHBondContact CD1-O 3.37Å; I11-N16 HydrophobicContact CD1-CB 3.48Å; I11-N16 VanDerWaalsContact CD1-CB 3.48Å; I11-N16 HydrophobicContact CG1-CB 3.4Å; I11-N16 WeakPolarHBondContact CG1-O 3.24Å; I11-N16 PolarHBondContact N-O 3.14Å; D12-N16 PolarHBondContact OD1-N 3.3Å; D12-N16 WeakPolarHBondContact OD2-CB 3.39Å; D12-N16 PolarHBondContact OD2-ND2 2.96Å; T14-N16 PolarHBondContact OG1-ND2 3.45Å; T14-N16 VanDerWaalsContact OG1-ND2 3.08Å
17V97.6Very high96.5Very high19 Ų1961.1 Ų61.112%0.11532%0.317CS..EExtended strand (participates in β ladder)trans-132.8158.3-177.1-64.20000111.9L3 I8 K9 L10 L59 F62L3-V17 HydrophobicContact CD1-CG1 4.07Å; I8-V17 HydrophobicContact CG2-CB 3.68Å; I8-V17 HydrophobicContact CG2-CG1 4.04Å; I8-V17 HydrophobicContact CG2-CG2 4.1Å; K9-V17 CarbonylContact O-C 3.59Å; K9-V17 WeakPolarHBondContact O-CA 3.47Å; K9-V17 WeakPolarHBondContact O-CB 3.23Å; L10-V17 HydrophobicContact CD1-CG1 4.36Å; V17-L59 HydrophobicContact CG2-CD1 4.43Å; V17-F62 HydrophobicContact CG2-CB 3.46Å; V17-F62 VanDerWaalsContact CG2-CB 3.46Å; V17-F62 HydrophobicContact CG2-CD1 4.17Å; V17-F62 HydrophobicContact CG2-CD2 4.03Å; V17-F62 HydrophobicContact CG2-CG 3.61Å
18A98.2Very high96.5Very high31 Ų3166.5 Ų66.526%0.25634%0.342SS..EExtended strand (participates in β ladder)trans-143.5171.3174.400000110.8I8 K9 I11 A20I8-A18 CarbonylContact C-O 3.58Å; I8-A18 WeakPolarHBondContact CA-O 3.29Å; K9-A18 HydrophobicContact CG-CB 4.41Å; K9-A18 PolarHBondContact N-O 3.38Å; K9-A18 PolarHBondContact O-N 3.18Å; I11-A18 HydrophobicContact CG2-CB 3.67Å; A18-A20 PolarHBondContact O-N 2.65Å
19R98.5Very high96.4Very high71 Ų7169.8 Ų69.827%0.26836%0.357SS..EExtended strand (participates in β ladder)trans-57.4131.4168.4-68.5176.2-178.2170.83.1110.2K9 W23 F27 F62 E66 E70K9-R19 VanDerWaalsContact CE-O 3.27Å; K9-R19 WeakPolarHBondContact CE-O 3.31Å; R19-W23 HydrophobicContact CB-CB 3.88Å; R19-W23 HydrophobicContact CB-CD2 4.42Å; R19-W23 HydrophobicContact CB-CG 3.73Å; R19-W23 HydrophobicContact CG-CB 4.24Å; R19-W23 HydrophobicContact CG-CD2 4.18Å; R19-W23 HydrophobicContact CG-CG 3.97Å; R19-F27 HydrophobicContact CG-CE2 4.34Å; R19-F27 HydrophobicContact CG-CZ 4.28Å; R19-F62 HydrophobicContact CG-CE2 4.28Å; R19-F62 HydrophobicContact CG-CZ 3.88Å; R19-E66 IonicContact CZ-OE1 3.42Å; R19-E66 IonicContact CZ-OE2 3.33Å; R19-E66 IonicContact NE-OE1 3.93Å; R19-E66 PolarHBondContact NE-OE1 3.2Å; R19-E66 IonicContact NE-OE2 3.34Å; R19-E66 PolarHBondContact NE-OE2 2.75Å; R19-E66 VanDerWaalsContact NH2-CD 3.34Å; R19-E66 IonicContact NH2-OE1 2.84Å; R19-E66 PolarHBondContact NH2-OE1 3.39Å; R19-E66 VanDerWaalsContact NH2-OE1 3.14Å; R19-E66 IonicContact NH2-OE2 3.42Å; R19-E66 PolarHBondContact NH2-OE2 3.15Å; R19-E70 IonicContact CZ-OE2 2.86Å; R19-E70 IonicContact NH1-OE2 3.83Å; R19-E70 IonicContact NH2-OE2 2.72Å; R19-E70 PolarHBondContact NH2-OE2 3.27Å
20A97.9Very high96.4Very high3 Ų365.4 Ų65.43%0.02534%0.339CS..  trans-74.7169.3170.400000110.8E4 G7 K9 A18 N22 W23E4-A20 HydrophobicContact CG-CB 4.34Å; G7-A20 WeakPolarHBondContact O-CB 3.33Å; G7-A20 PolarHBondContact O-N 3.37Å; K9-A20 HydrophobicContact CB-CB 4.31Å; A18-A20 PolarHBondContact O-N 2.65Å; A20-N22 WeakPolarHBondContact CB-OD1 3.47Å; A20-N22 PolarHBondContact O-N 2.94Å; A20-W23 WeakPolarHBondContact O-CB 3.31Å; A20-W23 VanDerWaalsContact O-CD1 3.25Å; A20-W23 PolarHBondContact O-N 2.93Å
21G97.4Very high96.5Very high80 Ų8062.6 Ų62.683%0.82532%0.324SS*.THydrogen-bonded Turntrans-63-22.8-17900000114.4
22N96.8Very high96.5Very high55 Ų5563.9 Ų63.929%0.29433%0.328SS..THydrogen-bonded Turntrans-107.922.4-179.365.1-20.1000113A20 Q24 R26A20-N22 WeakPolarHBondContact CB-OD1 3.47Å; A20-N22 PolarHBondContact O-N 2.94Å; N22-Q24 VanDerWaalsContact C-N 3.28Å; N22-Q24 PolarHBondContact O-N 3.04Å; N22-R26 PolarHBondContact ND2-NE 3.17Å; N22-R26 WeakPolarHBondContact O-CG 3.47Å; N22-R26 PolarHBondContact O-N 2.87Å
23W98.4Very high96.6Very high56 Ų5663 Ų6321%0.21233%0.326CS..Hα-helixtrans-59.8-34.9-16972-91.1000113.5G7 R19 A20 R26 F27 T72G7-W23 WeakPolarHBondContact O-CB 3.46Å; R19-W23 HydrophobicContact CB-CB 3.88Å; R19-W23 HydrophobicContact CB-CD2 4.42Å; R19-W23 HydrophobicContact CB-CG 3.73Å; R19-W23 HydrophobicContact CG-CB 4.24Å; R19-W23 HydrophobicContact CG-CD2 4.18Å; R19-W23 HydrophobicContact CG-CG 3.97Å; A20-W23 WeakPolarHBondContact O-CB 3.31Å; A20-W23 VanDerWaalsContact O-CD1 3.25Å; A20-W23 PolarHBondContact O-N 2.93Å; W23-R26 PolarHBondContact O-N 3.01Å; W23-F27 HydrophobicContact CB-CE1 4.34Å; W23-F27 HydrophobicContact CB-CZ 4.36Å; W23-F27 HydrophobicContact CD2-CD2 4.47Å; W23-F27 HydrophobicContact CD2-CE2 4.48Å; W23-F27 HydrophobicContact CE3-CB 4.37Å; W23-F27 AromaticContact CE3-CD2 3.35Å; W23-F27 HydrophobicContact CE3-CD2 3.35Å; W23-F27 AromaticContact CE3-CE2 3.67Å; W23-F27 HydrophobicContact CE3-CE2 3.67Å; W23-F27 AromaticContact CE3-CG 3.93Å; W23-F27 HydrophobicContact CE3-CG 3.93Å; W23-F27 HydrophobicContact CE3-CZ 4.49Å; W23-F27 AromaticContact CZ3-CD2 3.79Å; W23-F27 HydrophobicContact CZ3-CD2 3.79Å; W23-F27 HydrophobicContact CZ3-CE2 4.25Å; W23-F27 VanDerWaalsContact O-CB 3.28Å; W23-F27 WeakPolarHBondContact O-CB 3.37Å; W23-F27 WeakPolarHBondContact O-CD1 3.4Å; W23-F27 VanDerWaalsContact O-CG 3.31Å; W23-F27 WeakPolarHBondContact O-CG 3.4Å; W23-F27 PolarHBondContact O-N 3.29Å; W23-T72 HydrophobicContact CH2-CG2 4.23Å; W23-T72 HydrophobicContact CZ3-CG2 3.9Å
24Q98.4Very high96.6Very high109 Ų10960 Ų6051%0.50932%0.315SS..Hα-helixtrans-59.7-54.5-175.9-64.788.8-24.700111.4N22 R26 F27 Q28N22-Q24 VanDerWaalsContact C-N 3.28Å; N22-Q24 PolarHBondContact O-N 3.04Å; Q24-R26 VanDerWaalsContact C-N 3.3Å; Q24-R26 PolarHBondContact O-N 3.28Å; Q24-F27 PolarHBondContact O-N 2.89Å; Q24-Q28 PolarHBondContact O-N 3.11Å; Q24-Q28 VanDerWaalsContact O-N 3.08Å
25E97.9Very high96.9Very high102 Ų10261.4 Ų61.448%0.47732%0.316SS..Hα-helixtrans-60.7-41.9177.7-172.6-161.9160.500110.8Q28 H29E25-Q28 PolarHBondContact O-N 3.29Å; E25-H29 PolarHBondContact O-N 2.89Å; E25-H29 PolarHBondContact O-ND1 3.3Å; E25-H29 IonicContact OE1-CE1 3.14Å; E25-H29 PolarHBondContact OE1-CE1 2.75Å
26R98.1Very high97.1Very high71 Ų7161.8 Ų61.827%0.26832%0.317SS..Hα-helixtrans-70.9-35.3-177.9-64-55.6-177178.8-13.7113.4F5 G7 N22 W23 Q24 H29 L30F5-R26 WeakPolarHBondContact O-CD 3.23Å; G7-R26 VanDerWaalsContact CA-CB 3.49Å; N22-R26 PolarHBondContact ND2-NE 3.17Å; N22-R26 WeakPolarHBondContact O-CG 3.47Å; N22-R26 PolarHBondContact O-N 2.87Å; W23-R26 PolarHBondContact O-N 3.01Å; Q24-R26 VanDerWaalsContact C-N 3.3Å; Q24-R26 PolarHBondContact O-N 3.28Å; R26-H29 PolarHBondContact O-N 2.92Å; R26-L30 WeakPolarHBondContact O-CB 3.33Å; R26-L30 PolarHBondContact O-N 3.37Å
27F98.3Very high97.1Very high3 Ų359.1 Ų59.11%0.01330%0.303CS..Hα-helixtrans-72.5-36.9177-77.113.3000111.2F6 I8 R19 W23 Q24 L30 N31 F62 E66 I73F6-F27 WeakPolarHBondContact O-CD1 3.47Å; F6-F27 VanDerWaalsContact O-CE1 3.27Å; F6-F27 WeakPolarHBondContact O-CE1 3.44Å; I8-F27 HydrophobicContact CG1-CE1 4.15Å; R19-F27 HydrophobicContact CG-CE2 4.34Å; R19-F27 HydrophobicContact CG-CZ 4.28Å; W23-F27 HydrophobicContact CB-CE1 4.34Å; W23-F27 HydrophobicContact CB-CZ 4.36Å; W23-F27 HydrophobicContact CD2-CD2 4.47Å; W23-F27 HydrophobicContact CD2-CE2 4.48Å; W23-F27 HydrophobicContact CE3-CB 4.37Å; W23-F27 AromaticContact CE3-CD2 3.35Å; W23-F27 HydrophobicContact CE3-CD2 3.35Å; W23-F27 AromaticContact CE3-CE2 3.67Å; W23-F27 HydrophobicContact CE3-CE2 3.67Å; W23-F27 AromaticContact CE3-CG 3.93Å; W23-F27 HydrophobicContact CE3-CG 3.93Å; W23-F27 HydrophobicContact CE3-CZ 4.49Å; W23-F27 AromaticContact CZ3-CD2 3.79Å; W23-F27 HydrophobicContact CZ3-CD2 3.79Å; W23-F27 HydrophobicContact CZ3-CE2 4.25Å; W23-F27 VanDerWaalsContact O-CB 3.28Å; W23-F27 WeakPolarHBondContact O-CB 3.37Å; W23-F27 WeakPolarHBondContact O-CD1 3.4Å; W23-F27 VanDerWaalsContact O-CG 3.31Å; W23-F27 WeakPolarHBondContact O-CG 3.4Å; W23-F27 PolarHBondContact O-N 3.29Å; Q24-F27 PolarHBondContact O-N 2.89Å; F27-L30 WeakPolarHBondContact O-CB 3.36Å; F27-L30 PolarHBondContact O-N 3.03Å; F27-N31 PolarHBondContact O-N 3.27Å; F27-N31 PolarHBondContact O-ND2 3.25Å; F27-F62 AromaticContact CZ-CE1 3.91Å; F27-F62 HydrophobicContact CZ-CE1 3.91Å; F27-F62 AromaticContact CZ-CZ 3.98Å; F27-F62 HydrophobicContact CZ-CZ 3.98Å; F27-E66 HydrophobicContact CE2-CB 4.37Å; F27-E66 HydrophobicContact CE2-CG 3.9Å; F27-E66 HydrophobicContact CZ-CG 4.22Å; F27-I73 HydrophobicContact CB-CG2 3.55Å; F27-I73 HydrophobicContact CD1-CG2 4.16Å; F27-I73 HydrophobicContact CD2-CG2 3.75Å; F27-I73 HydrophobicContact CG-CG2 3.55Å
28Q97.8Very high97Very high113 Ų11363 Ų6353%0.52832%0.322SS..Hα-helixtrans-58-52.5169.7-177.2177.8-6.500110.7Q24 E25 L30 N31 E32Q24-Q28 PolarHBondContact O-N 3.11Å; Q24-Q28 VanDerWaalsContact O-N 3.08Å; E25-Q28 PolarHBondContact O-N 3.29Å; Q28-L30 PolarHBondContact O-N 2.82Å; Q28-N31 WeakPolarHBondContact O-CB 3.27Å; Q28-N31 PolarHBondContact O-N 2.92Å; Q28-N31 VanDerWaalsContact O-N 3.1Å; Q28-E32 WeakPolarHBondContact CG-OE1 3.21Å; Q28-E32 PolarHBondContact NE2-OE1 2.91Å; Q28-E32 PolarHBondContact O-N 3.18Å
29H97.2Very high97Very high72 Ų7266.2 Ų66.233%0.33333%0.328SS..Hα-helixtrans-58.4-36.1175.5-70.2155.6000112.7E25 R26 E32 S33E25-H29 PolarHBondContact O-N 2.89Å; E25-H29 PolarHBondContact O-ND1 3.3Å; E25-H29 IonicContact OE1-CE1 3.14Å; E25-H29 PolarHBondContact OE1-CE1 2.75Å; R26-H29 PolarHBondContact O-N 2.92Å; H29-E32 PolarHBondContact O-N 3.24Å; H29-S33 WeakPolarHBondContact O-CB 3Å; H29-S33 PolarHBondContact O-N 2.65Å; H29-S33 PolarHBondContact O-OG 3.08Å
30L96.6Very high96.9Very high3 Ų363.1 Ų63.12%0.01632%0.317CS..Hα-helixtrans-65.1-38.8178-171.656.5000111.7F6 R26 F27 Q28 E32 N36 Y37 I40 I73 I76F6-L30 HydrophobicContact CD1-CD1 4.22Å; R26-L30 WeakPolarHBondContact O-CB 3.33Å; R26-L30 PolarHBondContact O-N 3.37Å; F27-L30 WeakPolarHBondContact O-CB 3.36Å; F27-L30 PolarHBondContact O-N 3.03Å; Q28-L30 PolarHBondContact O-N 2.82Å; L30-E32 VanDerWaalsContact C-N 3.29Å; L30-E32 PolarHBondContact O-N 3.42Å; L30-N36 HydrophobicContact CD1-CB 3.61Å; L30-Y37 HydrophobicContact CD1-CD1 3.99Å; L30-Y37 HydrophobicContact CD1-CE1 3.8Å; L30-Y37 HydrophobicContact CG-CE1 4.05Å; L30-Y37 VanDerWaalsContact O-CE1 3.25Å; L30-Y37 WeakPolarHBondContact O-CE1 3.47Å; L30-Y37 PolarHBondContact O-OH 2.89Å; L30-I40 HydrophobicContact CD1-CD1 4.15Å; L30-I40 HydrophobicContact CD2-CD1 4.47Å; L30-I73 HydrophobicContact CD2-CD1 4.33Å; L30-I73 HydrophobicContact CD2-CG2 4.24Å; L30-I76 HydrophobicContact CD2-CD1 4.21Å; L30-I76 HydrophobicContact CG-CD1 4.46Å
31N97.7Very high96.8Very high27 Ų2763.8 Ų63.814%0.14432%0.32CS..Hα-helixtrans-65.3-30.5175.5-79.4-46.6000113.6F27 Q28 T72 I73 P74 N75F27-N31 PolarHBondContact O-N 3.27Å; F27-N31 PolarHBondContact O-ND2 3.25Å; Q28-N31 WeakPolarHBondContact O-CB 3.27Å; Q28-N31 PolarHBondContact O-N 2.92Å; Q28-N31 VanDerWaalsContact O-N 3.1Å; N31-T72 PolarHBondContact ND2-O 2.7Å; N31-I73 WeakPolarHBondContact OD1-CA 3.47Å; N31-P74 WeakPolarHBondContact OD1-CD 3.23Å; N31-N75 HydrophobicContact CB-CB 4.45Å; N31-N75 PolarHBondContact O-ND2 2.84Å; N31-N75 PolarHBondContact OD1-N 2.79Å
32E96.6Very high96.7Very high124 Ų12467.1 Ų67.158%0.57931%0.308SS*.Hα-helixtrans-89.8-25.7-177-66.1168.1-173.700112.3Q28 H29 L30Q28-E32 WeakPolarHBondContact CG-OE1 3.21Å; Q28-E32 PolarHBondContact NE2-OE1 2.91Å; Q28-E32 PolarHBondContact O-N 3.18Å; H29-E32 PolarHBondContact O-N 3.24Å; L30-E32 VanDerWaalsContact C-N 3.29Å; L30-E32 PolarHBondContact O-N 3.42Å
33S95.3Very high96.7Very high37 Ų3765.8 Ų65.826%0.25930%0.3SS..  trans-111.275.6-170.7-66.80000113.3H29 H35 N36H29-S33 WeakPolarHBondContact O-CB 3Å; H29-S33 PolarHBondContact O-N 2.65Å; H29-S33 PolarHBondContact O-OG 3.08Å; S33-H35 PolarHBondContact O-N 3.41Å; S33-N36 WeakPolarHBondContact CB-ND2 3.45Å; S33-N36 VanDerWaalsContact O-CB 3.28Å; S33-N36 WeakPolarHBondContact O-CB 3.37Å; S33-N36 PolarHBondContact O-N 3.39Å; S33-N36 PolarHBondContact O-ND2 3.01Å
34Q92.1Very high96.6Very high135 Ų13563.1 Ų63.163%0.63129%0.29SS*.THydrogen-bonded Turntrans-56.4-27.2-175.3-64.7-176.6-19.900115.2N36 Y37Q34-N36 PolarHBondContact O-N 3.36Å; Q34-N36 VanDerWaalsContact O-N 3.12Å; Q34-Y37 HydrophobicContact CB-CD2 4.15Å; Q34-Y37 HydrophobicContact CB-CE2 4.03Å; Q34-Y37 HydrophobicContact CG-CD2 4.45Å; Q34-Y37 HydrophobicContact CG-CE2 3.87Å; Q34-Y37 VanDerWaalsContact O-CB 3.26Å; Q34-Y37 WeakPolarHBondContact O-CB 3.28Å; Q34-Y37 WeakPolarHBondContact O-CD2 3.34Å; Q34-Y37 VanDerWaalsContact O-CG 3.24Å; Q34-Y37 PolarHBondContact O-N 3.2Å
35H95.6Very high96.5Very high114 Ų11463.7 Ų63.753%0.52829%0.291SS..Hα-helixtrans-60.5-23.3176.265.4-93.8000112.7S33 Y37 L38 R39S33-H35 PolarHBondContact O-N 3.41Å; H35-Y37 PolarHBondContact O-N 3.23Å; H35-L38 PolarHBondContact O-N 3.47Å; H35-R39 PolarHBondContact O-N 3.48Å
36N96.6Very high96.4Very high8 Ų861.2 Ų61.24%0.04329%0.285CS..Hα-helixtrans-65.6-25.5173.7-73.7-42.4000112.4F6 L30 S33 Q34 L38 R39 I40F6-N36 HydrophobicContact CD1-CB 4.36Å; F6-N36 HydrophobicContact CE1-CB 3.86Å; L30-N36 HydrophobicContact CD1-CB 3.61Å; S33-N36 WeakPolarHBondContact CB-ND2 3.45Å; S33-N36 VanDerWaalsContact O-CB 3.28Å; S33-N36 WeakPolarHBondContact O-CB 3.37Å; S33-N36 PolarHBondContact O-N 3.39Å; S33-N36 PolarHBondContact O-ND2 3.01Å; Q34-N36 PolarHBondContact O-N 3.36Å; Q34-N36 VanDerWaalsContact O-N 3.12Å; N36-L38 VanDerWaalsContact C-N 3.32Å; N36-L38 PolarHBondContact O-N 2.94Å; N36-R39 WeakPolarHBondContact O-CB 3.41Å; N36-R39 PolarHBondContact O-N 3.44Å; N36-R39 VanDerWaalsContact O-N 3.09Å; N36-R39 WeakPolarHBondContact OD1-CD 3.31Å; N36-R39 PolarHBondContact OD1-NH1 3.47Å; N36-I40 WeakPolarHBondContact O-CG1 3.36Å; N36-I40 PolarHBondContact O-N 3.08Å
37Y96.7Very high96.2Very high8 Ų859.3 Ų59.33%0.03128%0.28CS..Hα-helixtrans-65.9-40.4176.1-50.4-18.7000110.5L30 Q34 H35 R39 I40 T41 N75 I76 S79L30-Y37 HydrophobicContact CD1-CD1 3.99Å; L30-Y37 HydrophobicContact CD1-CE1 3.8Å; L30-Y37 HydrophobicContact CG-CE1 4.05Å; L30-Y37 VanDerWaalsContact O-CE1 3.25Å; L30-Y37 WeakPolarHBondContact O-CE1 3.47Å; L30-Y37 PolarHBondContact O-OH 2.89Å; Q34-Y37 HydrophobicContact CB-CD2 4.15Å; Q34-Y37 HydrophobicContact CB-CE2 4.03Å; Q34-Y37 HydrophobicContact CG-CD2 4.45Å; Q34-Y37 HydrophobicContact CG-CE2 3.87Å; Q34-Y37 VanDerWaalsContact O-CB 3.26Å; Q34-Y37 WeakPolarHBondContact O-CB 3.28Å; Q34-Y37 WeakPolarHBondContact O-CD2 3.34Å; Q34-Y37 VanDerWaalsContact O-CG 3.24Å; Q34-Y37 PolarHBondContact O-N 3.2Å; H35-Y37 PolarHBondContact O-N 3.23Å; Y37-R39 VanDerWaalsContact C-N 3.28Å; Y37-R39 PolarHBondContact O-N 2.77Å; Y37-I40 PolarHBondContact O-N 3.2Å; Y37-T41 PolarHBondContact O-N 3.4Å; Y37-T41 PolarHBondContact O-OG1 3.26Å; Y37-N75 WeakPolarHBondContact CE2-O 3.34Å; Y37-N75 VanDerWaalsContact OH-CB 3.29Å; Y37-N75 WeakPolarHBondContact OH-CB 3.28Å; Y37-N75 PolarHBondContact OH-O 3.29Å; Y37-I76 HydrophobicContact CD1-CB 4.35Å; Y37-I76 HydrophobicContact CD1-CD1 3.56Å; Y37-I76 HydrophobicContact CD1-CG1 3.55Å; Y37-I76 HydrophobicContact CD2-CG1 4.37Å; Y37-I76 HydrophobicContact CE1-CB 3.93Å; Y37-I76 HydrophobicContact CE1-CD1 3.76Å; Y37-I76 HydrophobicContact CE1-CG1 3.63Å; Y37-I76 HydrophobicContact CE2-CG1 4.42Å; Y37-I76 HydrophobicContact CG-CD1 4.35Å; Y37-I76 HydrophobicContact CG-CG1 3.95Å; Y37-S79 WeakPolarHBondContact CD2-OG 3.27Å
38L95.9Very high96Very high100 Ų10059.6 Ų59.652%0.52428%0.284SS..Hα-helixtrans-65.6-31173-61.5176.2000112.2H35 N36 R42H35-L38 PolarHBondContact O-N 3.47Å; N36-L38 VanDerWaalsContact C-N 3.32Å; N36-L38 PolarHBondContact O-N 2.94Å; L38-R42 VanDerWaalsContact C-NH1 3.26Å; L38-R42 WeakPolarHBondContact O-CG 3.32Å; L38-R42 PolarHBondContact O-N 3.41Å; L38-R42 PolarHBondContact O-NH1 3.04Å
39R96.6Very high95.9Very high100 Ų10061.2 Ų61.238%0.37729%0.291SS..Hα-helixtrans-68.9-42.9173.8-65174.767.4-1643.3110.7F6 H35 N36 Y37 T41 R42 I43F6-R39 HydrophobicContact CZ-CB 4.19Å; H35-R39 PolarHBondContact O-N 3.48Å; N36-R39 WeakPolarHBondContact O-CB 3.41Å; N36-R39 PolarHBondContact O-N 3.44Å; N36-R39 VanDerWaalsContact O-N 3.09Å; N36-R39 WeakPolarHBondContact OD1-CD 3.31Å; N36-R39 PolarHBondContact OD1-NH1 3.47Å; Y37-R39 VanDerWaalsContact C-N 3.28Å; Y37-R39 PolarHBondContact O-N 2.77Å; R39-T41 PolarHBondContact O-N 2.87Å; R39-R42 PolarHBondContact O-N 3.42Å; R39-R42 VanDerWaalsContact O-N 3.16Å; R39-I43 WeakPolarHBondContact O-CG1 3.44Å; R39-I43 PolarHBondContact O-N 3.24Å
40I97Very high95.8Very high6 Ų663.5 Ų63.53%0.03131%0.306CS..Hα-helixtrans-60.8-43.3174.3-67.1165.6000110.8F6 L30 N36 Y37 R42 I43 L44 I63 I76 F84F6-I40 HydrophobicContact CD1-CD1 4.35Å; F6-I40 HydrophobicContact CD1-CG1 4.43Å; F6-I40 HydrophobicContact CE1-CG1 4.24Å; F6-I40 HydrophobicContact CE2-CG1 4.46Å; F6-I40 HydrophobicContact CZ-CG1 4.26Å; L30-I40 HydrophobicContact CD1-CD1 4.15Å; L30-I40 HydrophobicContact CD2-CD1 4.47Å; N36-I40 WeakPolarHBondContact O-CG1 3.36Å; N36-I40 PolarHBondContact O-N 3.08Å; Y37-I40 PolarHBondContact O-N 3.2Å; I40-R42 VanDerWaalsContact C-N 3.29Å; I40-R42 PolarHBondContact O-N 3.26Å; I40-I43 WeakPolarHBondContact O-CB 3.49Å; I40-I43 PolarHBondContact O-N 2.98Å; I40-I43 VanDerWaalsContact O-N 3.16Å; I40-L44 HydrophobicContact CG2-CD1 4.14Å; I40-L44 HydrophobicContact CG2-CG 4.46Å; I40-L44 WeakPolarHBondContact O-CG 3.4Å; I40-L44 PolarHBondContact O-N 3.27Å; I40-I63 HydrophobicContact CG2-CD1 3.93Å; I40-I76 HydrophobicContact CD1-CD1 3.9Å; I40-F84 HydrophobicContact CB-CE1 4.27Å; I40-F84 HydrophobicContact CB-CE2 4.47Å; I40-F84 HydrophobicContact CB-CZ 3.91Å; I40-F84 HydrophobicContact CG2-CD1 4.41Å; I40-F84 HydrophobicContact CG2-CD2 4.25Å; I40-F84 HydrophobicContact CG2-CE1 3.96Å; I40-F84 HydrophobicContact CG2-CE2 3.78Å; I40-F84 HydrophobicContact CG2-CZ 3.63Å
41T96Very high95.7Very high17 Ų1766.4 Ų66.410%0.10434%0.336CS..Hα-helixtrans-56.3-42.9173.9-580000112.1Y37 R39 L44 K45 F84Y37-T41 PolarHBondContact O-N 3.4Å; Y37-T41 PolarHBondContact O-OG1 3.26Å; R39-T41 PolarHBondContact O-N 2.87Å; T41-L44 PolarHBondContact O-N 3.38Å; T41-K45 WeakPolarHBondContact O-CG 3.3Å; T41-K45 PolarHBondContact O-N 3.09Å; T41-F84 VanDerWaalsContact OG1-CE1 3.3Å; T41-F84 WeakPolarHBondContact OG1-CE1 3.4Å
42R96Very high95.5Very high149 Ų14971 Ų7156%0.56235%0.352SS*.Hα-helixtrans-65.3-41.9178-70.3175.8-171.298.2-8111.6L38 R39 I40 L44 K45 S46L38-R42 VanDerWaalsContact C-NH1 3.26Å; L38-R42 WeakPolarHBondContact O-CG 3.32Å; L38-R42 PolarHBondContact O-N 3.41Å; L38-R42 PolarHBondContact O-NH1 3.04Å; R39-R42 PolarHBondContact O-N 3.42Å; R39-R42 VanDerWaalsContact O-N 3.16Å; I40-R42 VanDerWaalsContact C-N 3.29Å; I40-R42 PolarHBondContact O-N 3.26Å; R42-L44 VanDerWaalsContact C-N 3.35Å; R42-L44 PolarHBondContact O-N 2.67Å; R42-K45 PolarHBondContact O-N 3.36Å; R42-S46 WeakPolarHBondContact O-CB 3.48Å; R42-S46 PolarHBondContact O-N 3.15Å; R42-S46 PolarHBondContact O-OG 3.19Å
43I96.3Very high95.4Very high27 Ų2767.8 Ų67.814%0.13834%0.337CS..Hα-helixtrans-56.6-50.8173.5-66.5168.7000110.1M2 F6 R39 I40 K45 S46 L47M2-I43 HydrophobicContact CG-CD1 3.86Å; M2-I43 HydrophobicContact SD-CD1 3.51Å; M2-I43 VanDerWaalsContact SD-CD1 3.51Å; M2-I43 HydrophobicContact SD-CG1 3.56Å; M2-I43 VanDerWaalsContact SD-CG1 3.56Å; F6-I43 HydrophobicContact CE2-CD1 3.68Å; F6-I43 HydrophobicContact CZ-CD1 4.26Å; R39-I43 WeakPolarHBondContact O-CG1 3.44Å; R39-I43 PolarHBondContact O-N 3.24Å; I40-I43 WeakPolarHBondContact O-CB 3.49Å; I40-I43 PolarHBondContact O-N 2.98Å; I40-I43 VanDerWaalsContact O-N 3.16Å; I43-K45 VanDerWaalsContact C-N 3.33Å; I43-K45 PolarHBondContact O-N 3.01Å; I43-S46 PolarHBondContact O-N 3.48Å; I43-L47 HydrophobicContact CG2-CD1 4.1Å; I43-L47 HydrophobicContact CG2-CG 4.36Å; I43-L47 VanDerWaalsContact O-CG 3.3Å; I43-L47 WeakPolarHBondContact O-CG 3.25Å; I43-L47 PolarHBondContact O-N 3.41Å
44L96.4Very high95.2Very high0 Ų069.6 Ų69.60%035%0.35CS..Hα-helixtrans-60-41.1179.5-70.5170.4000112.3I40 T41 R42 K56 L59 V60 F84 T87I40-L44 HydrophobicContact CG2-CD1 4.14Å; I40-L44 HydrophobicContact CG2-CG 4.46Å; I40-L44 WeakPolarHBondContact O-CG 3.4Å; I40-L44 PolarHBondContact O-N 3.27Å; T41-L44 PolarHBondContact O-N 3.38Å; R42-L44 VanDerWaalsContact C-N 3.35Å; R42-L44 PolarHBondContact O-N 2.67Å; L44-K56 HydrophobicContact CD2-CB 4.12Å; L44-K56 HydrophobicContact CD2-CG 4.33Å; L44-K56 WeakPolarHBondContact O-CE 3.42Å; L44-L59 HydrophobicContact CD2-CD2 3.99Å; L44-L59 HydrophobicContact CD2-CG 4.48Å; L44-V60 HydrophobicContact CD1-CG2 3.94Å; L44-V60 HydrophobicContact CD2-CG2 3.74Å; L44-F84 HydrophobicContact CD1-CB 3.62Å; L44-F84 HydrophobicContact CD1-CD1 3.77Å; L44-F84 HydrophobicContact CD1-CD2 4.44Å; L44-F84 HydrophobicContact CD1-CG 3.69Å; L44-T87 HydrophobicContact CB-CG2 3.9Å; L44-T87 HydrophobicContact CD1-CG2 4.35Å
45K95.6Very high95.4Very high121 Ų12165.2 Ų65.253%0.52633%0.329SS..Hα-helixtrans-63.8-50.6175.4-73.5-174.7177-171.60111.8T41 R42 I43 L47 G48 E49T41-K45 WeakPolarHBondContact O-CG 3.3Å; T41-K45 PolarHBondContact O-N 3.09Å; R42-K45 PolarHBondContact O-N 3.36Å; I43-K45 VanDerWaalsContact C-N 3.33Å; I43-K45 PolarHBondContact O-N 3.01Å; K45-L47 VanDerWaalsContact C-N 3.3Å; K45-L47 PolarHBondContact O-N 3.1Å; K45-G48 WeakPolarHBondContact O-CA 3.19Å; K45-G48 PolarHBondContact O-N 3.3Å; K45-E49 PolarHBondContact O-N 2.95Å; K45-E49 VanDerWaalsContact O-N 3.07Å
46S95.9Very high95.4Very high50 Ų5060 Ų6035%0.3531%0.305SS..Hα-helixtrans-62.8-34.5-179.2-61.90000112.8R42 I43 G48 E49 L50R42-S46 WeakPolarHBondContact O-CB 3.48Å; R42-S46 PolarHBondContact O-N 3.15Å; R42-S46 PolarHBondContact O-OG 3.19Å; I43-S46 PolarHBondContact O-N 3.48Å; S46-G48 PolarHBondContact O-N 3.27Å; S46-E49 PolarHBondContact O-N 3.29Å; S46-L50 VanDerWaalsContact O-CB 3.28Å; S46-L50 WeakPolarHBondContact O-CB 3.19Å; S46-L50 VanDerWaalsContact O-CG 3.23Å; S46-L50 WeakPolarHBondContact O-CG 3.49Å; S46-L50 PolarHBondContact O-N 2.98Å
47L95.1Very high95.3Very high31 Ų3162.8 Ų62.816%0.16233%0.325CS..Hα-helixtrans-56.7-37.8172-74.5172.7000111.6I43 K45 G51 Y52 F55 K56I43-L47 HydrophobicContact CG2-CD1 4.1Å; I43-L47 HydrophobicContact CG2-CG 4.36Å; I43-L47 VanDerWaalsContact O-CG 3.3Å; I43-L47 WeakPolarHBondContact O-CG 3.25Å; I43-L47 PolarHBondContact O-N 3.41Å; K45-L47 VanDerWaalsContact C-N 3.3Å; K45-L47 PolarHBondContact O-N 3.1Å; L47-G51 PolarHBondContact O-N 3.42Å; L47-Y52 HydrophobicContact CD2-CG 4.41Å; L47-Y52 CarbonylContact O-C 3.3Å; L47-Y52 VanDerWaalsContact O-C 3.3Å; L47-Y52 VanDerWaalsContact O-CA 3.27Å; L47-Y52 WeakPolarHBondContact O-CA 3.39Å; L47-Y52 WeakPolarHBondContact O-CB 3.45Å; L47-Y52 PolarHBondContact O-N 3.35Å; L47-F55 HydrophobicContact CD1-CB 4.05Å; L47-F55 HydrophobicContact CD2-CB 4.07Å; L47-K56 HydrophobicContact CB-CG 3.9Å; L47-K56 HydrophobicContact CD1-CG 4.22Å
48G93.5Very high95.3Very high9 Ų963.7 Ų63.79%0.09333%0.331CS..Hα-helixtrans-74.7-40.8177.100000113.8K45 S46 L50 G51 E53 K56K45-G48 WeakPolarHBondContact O-CA 3.19Å; K45-G48 PolarHBondContact O-N 3.3Å; S46-G48 PolarHBondContact O-N 3.27Å; G48-L50 VanDerWaalsContact C-N 3.26Å; G48-L50 PolarHBondContact O-N 3.24Å; G48-G51 PolarHBondContact O-N 3.28Å; G48-E53 WeakPolarHBondContact CA-OE1 3.47Å; G48-K56 VanDerWaalsContact CA-NZ 3.32Å
49E95.5Very high95.4Very high147 Ų14759.2 Ų59.269%0.68731%0.308SS*.Hα-helixtrans-65.1-32.6178.7-68.1167.7171.900112K45 S46K45-E49 PolarHBondContact O-N 2.95Å; K45-E49 VanDerWaalsContact O-N 3.07Å; S46-E49 PolarHBondContact O-N 3.29Å
50L95.1Very high95.4Very high121 Ų12154.7 Ų54.763%0.63429%0.292SS*.THydrogen-bonded Turntrans-92.55.2-178.1-63.2173.6000113.9S46 G48 Y52S46-L50 VanDerWaalsContact O-CB 3.28Å; S46-L50 WeakPolarHBondContact O-CB 3.19Å; S46-L50 VanDerWaalsContact O-CG 3.23Å; S46-L50 WeakPolarHBondContact O-CG 3.49Å; S46-L50 PolarHBondContact O-N 2.98Å; G48-L50 VanDerWaalsContact C-N 3.26Å; G48-L50 PolarHBondContact O-N 3.24Å; L50-Y52 HydrophobicContact CB-CD2 3.65Å; L50-Y52 HydrophobicContact CB-CE2 3.8Å
51G93.6Very high95.4Very high63 Ų6361.9 Ų61.965%0.64932%0.322SS*.THydrogen-bonded Turntrans81.910.3177.700000115.7L47 G48 E53L47-G51 PolarHBondContact O-N 3.42Å; G48-G51 PolarHBondContact O-N 3.28Å; G51-E53 VanDerWaalsContact C-N 3.32Å; G51-E53 PolarHBondContact O-N 2.63Å
52Y94Very high95.5Very high124 Ų12462.3 Ų62.349%0.48632%0.323SS..  trans-93.641.6176.1-58.3-72000112.5L47 L50 S54 F55L47-Y52 HydrophobicContact CD2-CG 4.41Å; L47-Y52 CarbonylContact O-C 3.3Å; L47-Y52 VanDerWaalsContact O-C 3.3Å; L47-Y52 VanDerWaalsContact O-CA 3.27Å; L47-Y52 WeakPolarHBondContact O-CA 3.39Å; L47-Y52 WeakPolarHBondContact O-CB 3.45Å; L47-Y52 PolarHBondContact O-N 3.35Å; L50-Y52 HydrophobicContact CB-CD2 3.65Å; L50-Y52 HydrophobicContact CB-CE2 3.8Å; Y52-S54 PolarHBondContact O-N 3.18Å; Y52-F55 HydrophobicContact CD1-CD2 4.32Å; Y52-F55 HydrophobicContact CD1-CE2 4.07Å; Y52-F55 WeakPolarHBondContact O-CB 3.4Å; Y52-F55 PolarHBondContact O-N 2.88Å; Y52-F55 VanDerWaalsContact O-N 3.07Å
53E93.8Very high95.6Very high56 Ų5655.3 Ų55.326%0.26230%0.297SS..G310 helixtrans-56.7-36.8-177.3-76-71.217000112.9G48 G51 F55 K56 R89G48-E53 WeakPolarHBondContact CA-OE1 3.47Å; G51-E53 VanDerWaalsContact C-N 3.32Å; G51-E53 PolarHBondContact O-N 2.63Å; E53-F55 PolarHBondContact O-N 2.8Å; E53-F55 VanDerWaalsContact O-N 3.09Å; E53-K56 PolarHBondContact O-N 3.39Å; E53-K56 VanDerWaalsContact O-N 3.13Å; E53-K56 IonicContact OE1-NZ 2.76Å; E53-K56 PolarHBondContact OE1-NZ 3.22Å; E53-K56 WeakPolarHBondContact OE2-CD 3.44Å; E53-K56 WeakPolarHBondContact OE2-CE 3.17Å; E53-K56 IonicContact OE2-NZ 3.3Å; E53-K56 PolarHBondContact OE2-NZ 3.13Å; E53-R89 WeakPolarHBondContact OE1-CD 3.26Å; E53-R89 IonicContact OE1-CZ 3.48Å; E53-R89 IonicContact OE1-NE 3.66Å; E53-R89 IonicContact OE1-NH1 2.84Å; E53-R89 PolarHBondContact OE1-NH1 3.26Å
54S92.8Very high95.7Very high76 Ų7655.9 Ų55.953%0.53130%0.3SS..G310 helixtrans-59.8-22178.855.90000113.9Y52 P58Y52-S54 PolarHBondContact O-N 3.18Å; S54-P58 WeakPolarHBondContact O-CD 3.32Å; S54-P58 WeakPolarHBondContact O-CG 3.39Å
55F95.2Very high95.8Very high42 Ų4259.9 Ų59.918%0.18432%0.318CS..G310 helixtrans-80.8-20.9-178.6-72.6-117.1000113L10 K13 G15 L47 Y52 E53 L59L10-F55 HydrophobicContact CD1-CD1 4.01Å; L10-F55 HydrophobicContact CD1-CE1 3.83Å; L10-F55 HydrophobicContact CD2-CE1 4.07Å; K13-F55 WeakPolarHBondContact O-CZ 3.34Å; G15-F55 VanDerWaalsContact CA-CD1 3.43Å; L47-F55 HydrophobicContact CD1-CB 4.05Å; L47-F55 HydrophobicContact CD2-CB 4.07Å; Y52-F55 HydrophobicContact CD1-CD2 4.32Å; Y52-F55 HydrophobicContact CD1-CE2 4.07Å; Y52-F55 WeakPolarHBondContact O-CB 3.4Å; Y52-F55 PolarHBondContact O-N 2.88Å; Y52-F55 VanDerWaalsContact O-N 3.07Å; E53-F55 PolarHBondContact O-N 2.8Å; E53-F55 VanDerWaalsContact O-N 3.09Å; F55-L59 WeakPolarHBondContact O-CB 3.42Å; F55-L59 PolarHBondContact O-N 3.08Å
56K95.6Very high95.9Very high6 Ų654.5 Ų54.53%0.02630%0.295CS..Hα-helixtrans-71.3-48.5-175.4-57-178.1-170.71720111.7L44 L47 G48 E53 L59 V60 T87 I88L44-K56 HydrophobicContact CD2-CB 4.12Å; L44-K56 HydrophobicContact CD2-CG 4.33Å; L44-K56 WeakPolarHBondContact O-CE 3.42Å; L47-K56 HydrophobicContact CB-CG 3.9Å; L47-K56 HydrophobicContact CD1-CG 4.22Å; G48-K56 VanDerWaalsContact CA-NZ 3.32Å; E53-K56 PolarHBondContact O-N 3.39Å; E53-K56 VanDerWaalsContact O-N 3.13Å; E53-K56 IonicContact OE1-NZ 2.76Å; E53-K56 PolarHBondContact OE1-NZ 3.22Å; E53-K56 WeakPolarHBondContact OE2-CD 3.44Å; E53-K56 WeakPolarHBondContact OE2-CE 3.17Å; E53-K56 IonicContact OE2-NZ 3.3Å; E53-K56 PolarHBondContact OE2-NZ 3.13Å; K56-L59 PolarHBondContact O-N 2.98Å; K56-V60 WeakPolarHBondContact O-CG2 3.47Å; K56-V60 PolarHBondContact O-N 2.84Å; K56-T87 WeakPolarHBondContact CD-O 3.27Å; K56-T87 PolarHBondContact NZ-O 3.09Å; K56-I88 HydrophobicContact CB-CD1 3.32Å; K56-I88 HydrophobicContact CD-CD1 4.37Å
57S95.8Very high96Very high66 Ų6652.1 Ų52.146%0.46228%0.278SS..Hα-helixtrans-60.7-47.2-174-178.50000112.2L59 V60 K61S57-L59 PolarHBondContact O-N 3.07Å; S57-V60 PolarHBondContact O-N 2.89Å; S57-K61 VanDerWaalsContact O-CB 3.24Å; S57-K61 WeakPolarHBondContact O-CB 3.47Å; S57-K61 PolarHBondContact O-N 3.25Å
58P96.3Very high96.1Very high26 Ų2655.2 Ų55.217%0.16930%0.295CS..Hα-helixtrans-60-41.7174.5-23.833.9000113.4G15 S54 F62G15-P58 WeakPolarHBondContact O-CB 3.19Å; S54-P58 WeakPolarHBondContact O-CD 3.32Å; S54-P58 WeakPolarHBondContact O-CG 3.39Å; P58-F62 WeakPolarHBondContact O-CB 3.32Å; P58-F62 PolarHBondContact O-N 3.35Å
59L97Very high96.4Very high6 Ų659.4 Ų59.43%0.03132%0.318CS..Hα-helixtrans-65.5-46.5179.5178.758.8000112L3 I8 V17 L44 F55 K56 S57 F62 I63L3-L59 HydrophobicContact CD2-CD1 4.29Å; L3-L59 HydrophobicContact CD2-CD2 4.21Å; I8-L59 HydrophobicContact CD1-CD1 4.05Å; I8-L59 HydrophobicContact CG2-CD1 4.41Å; V17-L59 HydrophobicContact CG2-CD1 4.43Å; L44-L59 HydrophobicContact CD2-CD2 3.99Å; L44-L59 HydrophobicContact CD2-CG 4.48Å; F55-L59 WeakPolarHBondContact O-CB 3.42Å; F55-L59 PolarHBondContact O-N 3.08Å; K56-L59 PolarHBondContact O-N 2.98Å; S57-L59 PolarHBondContact O-N 3.07Å; L59-F62 PolarHBondContact O-N 3.29Å; L59-I63 HydrophobicContact CD1-CD1 4.08Å; L59-I63 HydrophobicContact CD1-CG1 4.42Å; L59-I63 HydrophobicContact CG-CD1 4.12Å; L59-I63 WeakPolarHBondContact O-CG1 3.47Å; L59-I63 PolarHBondContact O-N 3.42Å
60V97.3Very high96.5Very high6 Ų656.8 Ų56.84%0.03631%0.306CS..Hα-helixtrans-65-43.1178.4175.80000110.6L44 K56 S57 F62 I63 L64 F84 V85 I88L44-V60 HydrophobicContact CD1-CG2 3.94Å; L44-V60 HydrophobicContact CD2-CG2 3.74Å; K56-V60 WeakPolarHBondContact O-CG2 3.47Å; K56-V60 PolarHBondContact O-N 2.84Å; S57-V60 PolarHBondContact O-N 2.89Å; V60-F62 VanDerWaalsContact C-N 3.33Å; V60-F62 PolarHBondContact O-N 2.72Å; V60-I63 PolarHBondContact O-N 3.42Å; V60-L64 HydrophobicContact CG1-CD1 3.95Å; V60-L64 HydrophobicContact CG1-CG 4.41Å; V60-L64 WeakPolarHBondContact O-CG 3.13Å; V60-L64 PolarHBondContact O-N 3.49Å; V60-F84 HydrophobicContact CG1-CB 4.22Å; V60-F84 HydrophobicContact CG2-CB 4.04Å; V60-V85 HydrophobicContact CG1-CG2 4.07Å; V60-I88 HydrophobicContact CB-CD1 4.43Å; V60-I88 HydrophobicContact CG2-CD1 4Å; V60-I88 HydrophobicContact CG2-CG1 4.43Å
61K97.2Very high96.6Very high156 Ų15655.4 Ų55.468%0.67830%0.299SS*.Hα-helixtrans-59-44.7175.8-176.9178.5179.4179.70111.6S57 L64 H65S57-K61 VanDerWaalsContact O-CB 3.24Å; S57-K61 WeakPolarHBondContact O-CB 3.47Å; S57-K61 PolarHBondContact O-N 3.25Å; K61-L64 PolarHBondContact O-N 3.23Å; K61-H65 WeakPolarHBondContact O-CB 3.49Å; K61-H65 PolarHBondContact O-N 2.88Å
62F97.9Very high96.9Very high27 Ų2753.9 Ų53.912%0.11828%0.277CS..Hα-helixtrans-60.1-49.2176.2177.4-90.6000111.7I8 V17 R19 F27 P58 L59 V60 L64 H65 E66I8-F62 HydrophobicContact CD1-CD1 4.02Å; I8-F62 HydrophobicContact CD1-CE1 3.87Å; I8-F62 HydrophobicContact CG1-CD1 4.35Å; I8-F62 HydrophobicContact CG1-CE1 3.76Å; I8-F62 HydrophobicContact CG2-CD1 4.38Å; I8-F62 HydrophobicContact CG2-CE1 4.23Å; V17-F62 HydrophobicContact CG2-CB 3.46Å; V17-F62 VanDerWaalsContact CG2-CB 3.46Å; V17-F62 HydrophobicContact CG2-CD1 4.17Å; V17-F62 HydrophobicContact CG2-CD2 4.03Å; V17-F62 HydrophobicContact CG2-CG 3.61Å; R19-F62 HydrophobicContact CG-CE2 4.28Å; R19-F62 HydrophobicContact CG-CZ 3.88Å; F27-F62 AromaticContact CZ-CE1 3.91Å; F27-F62 HydrophobicContact CZ-CE1 3.91Å; F27-F62 AromaticContact CZ-CZ 3.98Å; F27-F62 HydrophobicContact CZ-CZ 3.98Å; P58-F62 WeakPolarHBondContact O-CB 3.32Å; P58-F62 PolarHBondContact O-N 3.35Å; L59-F62 PolarHBondContact O-N 3.29Å; V60-F62 VanDerWaalsContact C-N 3.33Å; V60-F62 PolarHBondContact O-N 2.72Å; F62-L64 VanDerWaalsContact C-N 3.32Å; F62-L64 PolarHBondContact O-N 2.84Å; F62-H65 WeakPolarHBondContact O-CB 3.44Å; F62-H65 PolarHBondContact O-N 3Å; F62-E66 HydrophobicContact CD1-CG 4.18Å; F62-E66 HydrophobicContact CE1-CG 3.71Å; F62-E66 HydrophobicContact CE2-CG 4.18Å; F62-E66 HydrophobicContact CZ-CG 3.72Å; F62-E66 WeakPolarHBondContact O-CG 3.05Å; F62-E66 PolarHBondContact O-N 3.24Å
63I97.9Very high97Very high2 Ų248 Ų481%0.0125%0.254CS..Hα-helixtrans-59.5-43.3178.6-69.2167.3000111.1I8 I40 L59 V60 E66 A67 I73 I76 A80 F84I8-I63 HydrophobicContact CD1-CG1 4.47Å; I40-I63 HydrophobicContact CG2-CD1 3.93Å; L59-I63 HydrophobicContact CD1-CD1 4.08Å; L59-I63 HydrophobicContact CD1-CG1 4.42Å; L59-I63 HydrophobicContact CG-CD1 4.12Å; L59-I63 WeakPolarHBondContact O-CG1 3.47Å; L59-I63 PolarHBondContact O-N 3.42Å; V60-I63 PolarHBondContact O-N 3.42Å; I63-E66 PolarHBondContact O-N 2.9Å; I63-A67 VanDerWaalsContact O-CB 3.25Å; I63-A67 WeakPolarHBondContact O-CB 3.06Å; I63-A67 PolarHBondContact O-N 3.37Å; I63-I73 HydrophobicContact CG2-CD1 4.23Å; I63-I76 HydrophobicContact CG2-CD1 4.06Å; I63-I76 HydrophobicContact CG2-CG1 4.49Å; I63-I76 HydrophobicContact CG2-CG2 3.82Å; I63-A80 HydrophobicContact CG2-CB 4.33Å; I63-F84 HydrophobicContact CD1-CD2 4.19Å; I63-F84 HydrophobicContact CD1-CE2 4.19Å; I63-F84 HydrophobicContact CG2-CD2 4.15Å; I63-F84 HydrophobicContact CG2-CE2 4.11Å
64L98Very high97.2Very high38 Ų3847 Ų4720%0.19925%0.253CS..Hα-helixtrans-64.7-40.5177.3-73.7169.9000112.1V60 K61 F62 A67 L68 A80 V85V60-L64 HydrophobicContact CG1-CD1 3.95Å; V60-L64 HydrophobicContact CG1-CG 4.41Å; V60-L64 WeakPolarHBondContact O-CG 3.13Å; V60-L64 PolarHBondContact O-N 3.49Å; K61-L64 PolarHBondContact O-N 3.23Å; F62-L64 VanDerWaalsContact C-N 3.32Å; F62-L64 PolarHBondContact O-N 2.84Å; L64-A67 PolarHBondContact O-N 2.91Å; L64-L68 HydrophobicContact CB-CD1 4.41Å; L64-L68 HydrophobicContact CD2-CD1 4.01Å; L64-L68 VanDerWaalsContact O-CB 3.23Å; L64-L68 WeakPolarHBondContact O-CB 3.41Å; L64-L68 WeakPolarHBondContact O-CG 3.45Å; L64-L68 PolarHBondContact O-N 3.09Å; L64-A80 HydrophobicContact CD2-CB 3.7Å; L64-A80 HydrophobicContact CG-CB 4.45Å; L64-V85 HydrophobicContact CD1-CG2 3.95Å
65H98.5Very high97.5Very high85 Ų8547.9 Ų47.939%0.39425%0.251SS..Hα-helixtrans-61.6-48.1176-174.1-84.8000111.5K61 F62 A67 V69 E70K61-H65 WeakPolarHBondContact O-CB 3.49Å; K61-H65 PolarHBondContact O-N 2.88Å; F62-H65 WeakPolarHBondContact O-CB 3.44Å; F62-H65 PolarHBondContact O-N 3Å; H65-A67 VanDerWaalsContact C-N 3.3Å; H65-A67 PolarHBondContact O-N 3.16Å; H65-V69 WeakPolarHBondContact O-CA 3.36Å; H65-V69 WeakPolarHBondContact O-CB 3.34Å; H65-V69 PolarHBondContact O-N 3.32Å; H65-E70 IonicContact CE1-OE1 2.75Å; H65-E70 PolarHBondContact CE1-OE1 3.42Å; H65-E70 WeakPolarHBondContact ND1-CG 3.39Å; H65-E70 PolarHBondContact O-N 3.47Å
66E98.5Very high97.6Very high7 Ų745.9 Ų45.93%0.03324%0.243CC..Hα-helixtrans-63.3-36.4177.5-67.8-63.1162.300112.4R19 F27 F62 I63 N71 T72 I73R19-E66 IonicContact CZ-OE1 3.42Å; R19-E66 IonicContact CZ-OE2 3.33Å; R19-E66 IonicContact NE-OE1 3.93Å; R19-E66 PolarHBondContact NE-OE1 3.2Å; R19-E66 IonicContact NE-OE2 3.34Å; R19-E66 PolarHBondContact NE-OE2 2.75Å; R19-E66 VanDerWaalsContact NH2-CD 3.34Å; R19-E66 IonicContact NH2-OE1 2.84Å; R19-E66 PolarHBondContact NH2-OE1 3.39Å; R19-E66 VanDerWaalsContact NH2-OE1 3.14Å; R19-E66 IonicContact NH2-OE2 3.42Å; R19-E66 PolarHBondContact NH2-OE2 3.15Å; F27-E66 HydrophobicContact CE2-CB 4.37Å; F27-E66 HydrophobicContact CE2-CG 3.9Å; F27-E66 HydrophobicContact CZ-CG 4.22Å; F62-E66 HydrophobicContact CD1-CG 4.18Å; F62-E66 HydrophobicContact CE1-CG 3.71Å; F62-E66 HydrophobicContact CE2-CG 4.18Å; F62-E66 HydrophobicContact CZ-CG 3.72Å; F62-E66 WeakPolarHBondContact O-CG 3.05Å; F62-E66 PolarHBondContact O-N 3.24Å; I63-E66 PolarHBondContact O-N 2.9Å; E66-N71 CarbonylContact O-C 2.85Å; E66-N71 WeakPolarHBondContact O-CA 3.4Å; E66-N71 PolarHBondContact O-N 3.12Å; E66-T72 WeakPolarHBondContact CB-OG1 3.39Å; E66-T72 PolarHBondContact O-N 3.05Å; E66-T72 PolarHBondContact O-OG1 3.38Å; E66-T72 PolarHBondContact OE2-OG1 2.78Å; E66-I73 HydrophobicContact CB-CD1 3.7Å; E66-I73 HydrophobicContact CB-CG1 3.69Å
67A97.9Very high97.6Very high0 Ų048.7 Ų48.70%026%0.255CS..Hα-helixtrans-76.5-43.4179.600000113.1I63 L64 H65 I73 I76 K77I63-A67 VanDerWaalsContact O-CB 3.25Å; I63-A67 WeakPolarHBondContact O-CB 3.06Å; I63-A67 PolarHBondContact O-N 3.37Å; L64-A67 PolarHBondContact O-N 2.91Å; H65-A67 VanDerWaalsContact C-N 3.3Å; H65-A67 PolarHBondContact O-N 3.16Å; A67-I73 HydrophobicContact CB-CG1 4.18Å; A67-I76 HydrophobicContact CB-CG2 3.84Å; A67-K77 HydrophobicContact CB-CG 3.91Å; A67-K77 WeakPolarHBondContact O-CE 3.37Å; A67-K77 PolarHBondContact O-NZ 2.93Å
68L97.8Very high97.6Very high97 Ų9750.8 Ų50.851%0.50826%0.257SS..Hα-helixtrans-100.8-33.9-167.5-60.8173.7000114L64 K77L64-L68 HydrophobicContact CB-CD1 4.41Å; L64-L68 HydrophobicContact CD2-CD1 4.01Å; L64-L68 VanDerWaalsContact O-CB 3.23Å; L64-L68 WeakPolarHBondContact O-CB 3.41Å; L64-L68 WeakPolarHBondContact O-CG 3.45Å; L64-L68 PolarHBondContact O-N 3.09Å; L68-K77 HydrophobicContact CD2-CD 3.97Å; L68-K77 HydrophobicContact CD2-CG 3.93Å
69V98.1Very high97.6Very high97 Ų9750.7 Ų50.759%0.58826%0.258SS*.THydrogen-bonded Turntrans-98.7-55.5-175.9-176.90000110H65H65-V69 WeakPolarHBondContact O-CA 3.36Å; H65-V69 WeakPolarHBondContact O-CB 3.34Å; H65-V69 PolarHBondContact O-N 3.32Å
70E98.4Very high97.5Very high91 Ų9150.4 Ų50.443%0.42526%0.256SS..SBendtrans-81-21-177.3-58.9-75.4137.600112.4R19 H65 T72R19-E70 IonicContact CZ-OE2 2.86Å; R19-E70 IonicContact NH1-OE2 3.83Å; R19-E70 IonicContact NH2-OE2 2.72Å; R19-E70 PolarHBondContact NH2-OE2 3.27Å; H65-E70 IonicContact CE1-OE1 2.75Å; H65-E70 PolarHBondContact CE1-OE1 3.42Å; H65-E70 WeakPolarHBondContact ND1-CG 3.39Å; H65-E70 PolarHBondContact O-N 3.47Å; E70-T72 HydrophobicContact CB-CG2 3.86Å; E70-T72 PolarHBondContact O-N 3.04Å
71N97.9Very high97.3Very high92 Ų9254.6 Ų54.649%0.49228%0.278SS..  trans53.334.2-177.8-162.867.2000113.4E66 K77E66-N71 CarbonylContact O-C 2.85Å; E66-N71 WeakPolarHBondContact O-CA 3.4Å; E66-N71 PolarHBondContact O-N 3.12Å; N71-K77 PolarHBondContact OD1-NZ 2.96Å
72T98.2Very high97.1Very high31 Ų3151.6 Ų51.619%0.1927%0.266CS..SBendtrans-86.9-28.5179.857.30000112.3W23 N31 E66 E70 P74W23-T72 HydrophobicContact CH2-CG2 4.23Å; W23-T72 HydrophobicContact CZ3-CG2 3.9Å; N31-T72 PolarHBondContact ND2-O 2.7Å; E66-T72 WeakPolarHBondContact CB-OG1 3.39Å; E66-T72 PolarHBondContact O-N 3.05Å; E66-T72 PolarHBondContact O-OG1 3.38Å; E66-T72 PolarHBondContact OE2-OG1 2.78Å; E70-T72 HydrophobicContact CB-CG2 3.86Å; E70-T72 PolarHBondContact O-N 3.04Å; T72-P74 VanDerWaalsContact C-CD 3.42Å
73I98.1Very high96.9Very high0 Ų056.2 Ų56.20%028%0.284CS..SBendtrans-125.95417657.2179.5000112.8F27 L30 N31 I63 E66 A67 N75 I76F27-I73 HydrophobicContact CB-CG2 3.55Å; F27-I73 HydrophobicContact CD1-CG2 4.16Å; F27-I73 HydrophobicContact CD2-CG2 3.75Å; F27-I73 HydrophobicContact CG-CG2 3.55Å; L30-I73 HydrophobicContact CD2-CD1 4.33Å; L30-I73 HydrophobicContact CD2-CG2 4.24Å; N31-I73 WeakPolarHBondContact OD1-CA 3.47Å; I63-I73 HydrophobicContact CG2-CD1 4.23Å; E66-I73 HydrophobicContact CB-CD1 3.7Å; E66-I73 HydrophobicContact CB-CG1 3.69Å; A67-I73 HydrophobicContact CB-CG1 4.18Å; I73-N75 PolarHBondContact O-N 2.78Å; I73-N75 VanDerWaalsContact O-N 3.11Å; I73-I76 HydrophobicContact CB-CG2 4.33Å; I73-I76 HydrophobicContact CD1-CG2 3.94Å; I73-I76 HydrophobicContact CG1-CG2 3.92Å; I73-I76 VanDerWaalsContact O-CG2 3.23Å; I73-I76 WeakPolarHBondContact O-CG2 3.48Å; I73-I76 PolarHBondContact O-N 3.27Å
74P97.9Very high96.8Very high37 Ų3756.1 Ų56.124%0.2428%0.283CS..G310 helixtrans-61.5-26.4-170.325.9-36000114.4N31 T72 I76 K77N31-P74 WeakPolarHBondContact OD1-CD 3.23Å; T72-P74 VanDerWaalsContact C-CD 3.42Å; P74-I76 PolarHBondContact O-N 3.07Å; P74-K77 WeakPolarHBondContact O-CD 3.31Å; P74-K77 WeakPolarHBondContact O-CG 3.46Å; P74-K77 PolarHBondContact O-N 2.96Å
75N97.9Very high96.6Very high93 Ų9356.8 Ų56.850%0.49729%0.289SS..G310 helixtrans-74.9-11.5-174.8-67.1-11.5000113.2N31 Y37 I73N31-N75 HydrophobicContact CB-CB 4.45Å; N31-N75 PolarHBondContact O-ND2 2.84Å; N31-N75 PolarHBondContact OD1-N 2.79Å; Y37-N75 WeakPolarHBondContact CE2-O 3.34Å; Y37-N75 VanDerWaalsContact OH-CB 3.29Å; Y37-N75 WeakPolarHBondContact OH-CB 3.28Å; Y37-N75 PolarHBondContact OH-O 3.29Å; I73-N75 PolarHBondContact O-N 2.78Å; I73-N75 VanDerWaalsContact O-N 3.11Å
76I97.2Very high96.4Very high0 Ų060.3 Ų60.30%030%0.3CS..G310 helixtrans-85.2-11.2178.3-153.2164.5000113.1L30 Y37 I40 I63 A67 I73 P74 Q78 S79 A80 F84L30-I76 HydrophobicContact CD2-CD1 4.21Å; L30-I76 HydrophobicContact CG-CD1 4.46Å; Y37-I76 HydrophobicContact CD1-CB 4.35Å; Y37-I76 HydrophobicContact CD1-CD1 3.56Å; Y37-I76 HydrophobicContact CD1-CG1 3.55Å; Y37-I76 HydrophobicContact CD2-CG1 4.37Å; Y37-I76 HydrophobicContact CE1-CB 3.93Å; Y37-I76 HydrophobicContact CE1-CD1 3.76Å; Y37-I76 HydrophobicContact CE1-CG1 3.63Å; Y37-I76 HydrophobicContact CE2-CG1 4.42Å; Y37-I76 HydrophobicContact CG-CD1 4.35Å; Y37-I76 HydrophobicContact CG-CG1 3.95Å; I40-I76 HydrophobicContact CD1-CD1 3.9Å; I63-I76 HydrophobicContact CG2-CD1 4.06Å; I63-I76 HydrophobicContact CG2-CG1 4.49Å; I63-I76 HydrophobicContact CG2-CG2 3.82Å; A67-I76 HydrophobicContact CB-CG2 3.84Å; I73-I76 HydrophobicContact CB-CG2 4.33Å; I73-I76 HydrophobicContact CD1-CG2 3.94Å; I73-I76 HydrophobicContact CG1-CG2 3.92Å; I73-I76 VanDerWaalsContact O-CG2 3.23Å; I73-I76 WeakPolarHBondContact O-CG2 3.48Å; I73-I76 PolarHBondContact O-N 3.27Å; P74-I76 PolarHBondContact O-N 3.07Å; I76-Q78 VanDerWaalsContact C-N 3.29Å; I76-Q78 PolarHBondContact O-N 3.38Å; I76-Q78 VanDerWaalsContact O-N 3.17Å; I76-S79 PolarHBondContact O-N 3.42Å; I76-A80 PolarHBondContact O-N 3.28Å; I76-F84 HydrophobicContact CD1-CE2 3.68Å; I76-F84 HydrophobicContact CD1-CZ 4.07Å; I76-F84 HydrophobicContact CG1-CE2 3.79Å; I76-F84 HydrophobicContact CG1-CZ 4.12Å
77K96.5Very high96.1Very high66 Ų6660.8 Ų60.829%0.28730%0.303SS..Hα-helixtrans-48.5-47.8-171.9-75.3172.6-172.6173.50112.8A67 L68 N71 P74 A80 L81A67-K77 HydrophobicContact CB-CG 3.91Å; A67-K77 WeakPolarHBondContact O-CE 3.37Å; A67-K77 PolarHBondContact O-NZ 2.93Å; L68-K77 HydrophobicContact CD2-CD 3.97Å; L68-K77 HydrophobicContact CD2-CG 3.93Å; N71-K77 PolarHBondContact OD1-NZ 2.96Å; P74-K77 WeakPolarHBondContact O-CD 3.31Å; P74-K77 WeakPolarHBondContact O-CG 3.46Å; P74-K77 PolarHBondContact O-N 2.96Å; K77-A80 PolarHBondContact O-N 3.47Å; K77-L81 WeakPolarHBondContact O-CG 3.42Å; K77-L81 PolarHBondContact O-N 3.38Å
78Q95.2Very high95.9Very high109 Ų10962.2 Ų62.251%0.50931%0.31SS..Hα-helixtrans-61.9-49.4-179.2-163.467.213.800111.4I76 A80 L81 E82I76-Q78 VanDerWaalsContact C-N 3.29Å; I76-Q78 PolarHBondContact O-N 3.38Å; I76-Q78 VanDerWaalsContact O-N 3.17Å; Q78-A80 VanDerWaalsContact C-N 3.28Å; Q78-A80 PolarHBondContact O-N 2.89Å; Q78-L81 PolarHBondContact O-N 3.47Å; Q78-E82 HydrophobicContact CG-CG 4.32Å; Q78-E82 PolarHBondContact NE2-OE1 2.92Å; Q78-E82 WeakPolarHBondContact O-CB 3.47Å; Q78-E82 WeakPolarHBondContact O-CG 3.47Å; Q78-E82 PolarHBondContact O-N 3.36Å
79S96Very high95Very high25 Ų2566.5 Ų66.518%0.17532%0.32CS..Hα-helixtrans-63.7-35.7178.3-62.30000112.6Y37 I76 Y83 F84Y37-S79 WeakPolarHBondContact CD2-OG 3.27Å; I76-S79 PolarHBondContact O-N 3.42Å; S79-Y83 WeakPolarHBondContact O-CA 3.11Å; S79-Y83 WeakPolarHBondContact O-CB 3.47Å; S79-Y83 PolarHBondContact O-N 2.91Å; S79-F84 PolarHBondContact O-N 3.27Å; S79-F84 VanDerWaalsContact O-N 3.09Å
80A94.9Very high93.6Very high0 Ų066.9 Ų66.90%032%0.318CS..Iπ-helixtrans-62.5-46.9176.400000111.9I63 L64 I76 K77 Q78 F84 V85I63-A80 HydrophobicContact CG2-CB 4.33Å; L64-A80 HydrophobicContact CD2-CB 3.7Å; L64-A80 HydrophobicContact CG-CB 4.45Å; I76-A80 PolarHBondContact O-N 3.28Å; K77-A80 PolarHBondContact O-N 3.47Å; Q78-A80 VanDerWaalsContact C-N 3.28Å; Q78-A80 PolarHBondContact O-N 2.89Å; A80-F84 VanDerWaalsContact CA-CD2 3.49Å; A80-F84 HydrophobicContact CB-CD2 3.9Å; A80-F84 HydrophobicContact CB-CE2 4.39Å; A80-F84 PolarHBondContact O-N 3.34Å; A80-V85 WeakPolarHBondContact O-CG2 3.43Å; A80-V85 PolarHBondContact O-N 3.29Å
81L92.7Very high91.7Very high93 Ų9372 Ų7249%0.48733%0.334SS..Iπ-helixtrans-72.3-44-179.7-70.4173.2000113K77 Q78 Y86K77-L81 WeakPolarHBondContact O-CG 3.42Å; K77-L81 PolarHBondContact O-N 3.38Å; Q78-L81 PolarHBondContact O-N 3.47Å; L81-Y86 VanDerWaalsContact O-CE2 3.31Å; L81-Y86 WeakPolarHBondContact O-CE2 3.43Å
82E92.7Very high89.5Confident93 Ų9381.4 Ų81.444%0.43536%0.363SS..Iπ-helixtrans-85-25.7-172.4-68.4-173.9155.200114Q78 Y86Q78-E82 HydrophobicContact CG-CG 4.32Å; Q78-E82 PolarHBondContact NE2-OE1 2.92Å; Q78-E82 WeakPolarHBondContact O-CB 3.47Å; Q78-E82 WeakPolarHBondContact O-CG 3.47Å; Q78-E82 PolarHBondContact O-N 3.36Å; E82-Y86 WeakPolarHBondContact O-CD2 3.42Å
83Y94.4Very high89.1Confident125 Ų12584 Ų8449%0.4937%0.371SS..Iπ-helixtrans-123.7-50.8-173.9-60.4-90.2000112.2S79 Y86 T87S79-Y83 WeakPolarHBondContact O-CA 3.11Å; S79-Y83 WeakPolarHBondContact O-CB 3.47Å; S79-Y83 PolarHBondContact O-N 2.91Å; Y83-Y86 PolarHBondContact O-N 3.01Å; Y83-T87 WeakPolarHBondContact O-CG2 3.48Å; Y83-T87 PolarHBondContact O-N 3.16Å
84F96.1Very high88.6Confident0 Ų088.4 Ų88.40%039%0.391CS..Iπ-helixtrans-70.1-46.1-168.1-56.3-9.6000112I40 T41 L44 V60 I63 I76 S79 A80 Y86 T87I40-F84 HydrophobicContact CB-CE1 4.27Å; I40-F84 HydrophobicContact CB-CE2 4.47Å; I40-F84 HydrophobicContact CB-CZ 3.91Å; I40-F84 HydrophobicContact CG2-CD1 4.41Å; I40-F84 HydrophobicContact CG2-CD2 4.25Å; I40-F84 HydrophobicContact CG2-CE1 3.96Å; I40-F84 HydrophobicContact CG2-CE2 3.78Å; I40-F84 HydrophobicContact CG2-CZ 3.63Å; T41-F84 VanDerWaalsContact OG1-CE1 3.3Å; T41-F84 WeakPolarHBondContact OG1-CE1 3.4Å; L44-F84 HydrophobicContact CD1-CB 3.62Å; L44-F84 HydrophobicContact CD1-CD1 3.77Å; L44-F84 HydrophobicContact CD1-CD2 4.44Å; L44-F84 HydrophobicContact CD1-CG 3.69Å; V60-F84 HydrophobicContact CG1-CB 4.22Å; V60-F84 HydrophobicContact CG2-CB 4.04Å; I63-F84 HydrophobicContact CD1-CD2 4.19Å; I63-F84 HydrophobicContact CD1-CE2 4.19Å; I63-F84 HydrophobicContact CG2-CD2 4.15Å; I63-F84 HydrophobicContact CG2-CE2 4.11Å; I76-F84 HydrophobicContact CD1-CE2 3.68Å; I76-F84 HydrophobicContact CD1-CZ 4.07Å; I76-F84 HydrophobicContact CG1-CE2 3.79Å; I76-F84 HydrophobicContact CG1-CZ 4.12Å; S79-F84 PolarHBondContact O-N 3.27Å; S79-F84 VanDerWaalsContact O-N 3.09Å; A80-F84 VanDerWaalsContact CA-CD2 3.49Å; A80-F84 HydrophobicContact CB-CD2 3.9Å; A80-F84 HydrophobicContact CB-CE2 4.39Å; A80-F84 PolarHBondContact O-N 3.34Å; F84-Y86 PolarHBondContact O-N 3.16Å; F84-T87 WeakPolarHBondContact O-CB 3.3Å; F84-T87 PolarHBondContact O-N 3.19Å; F84-T87 PolarHBondContact O-OG1 2.96Å
85V94.9Very high88.1Confident52 Ų5291.2 Ų91.232%0.31540%0.399SS..G310 helixtrans-57.5-37.9177.6170.20000111.7V60 L64 A80 T87 I88V60-V85 HydrophobicContact CG1-CG2 4.07Å; L64-V85 HydrophobicContact CD1-CG2 3.95Å; A80-V85 WeakPolarHBondContact O-CG2 3.43Å; A80-V85 PolarHBondContact O-N 3.29Å; V85-T87 PolarHBondContact O-N 3.29Å; V85-I88 WeakPolarHBondContact O-CB 3.45Å; V85-I88 PolarHBondContact O-N 3.01Å
86Y93.2Very high87.5Confident159 Ų15991.1 Ų91.162%0.62439%0.393SS*.G310 helixtrans-71.8-10.4179.2-70.1-80.2000114.4L81 E82 Y83 F84 I88L81-Y86 VanDerWaalsContact O-CE2 3.31Å; L81-Y86 WeakPolarHBondContact O-CE2 3.43Å; E82-Y86 WeakPolarHBondContact O-CD2 3.42Å; Y83-Y86 PolarHBondContact O-N 3.01Å; F84-Y86 PolarHBondContact O-N 3.16Å; Y86-I88 VanDerWaalsContact C-N 3.27Å
87T93.2Very high86.9Confident17 Ų1796.8 Ų96.810%0.10442%0.418CS..G310 helixtrans-78.6-12.6172.770.60000113.5L44 K56 Y83 F84 V85L44-T87 HydrophobicContact CB-CG2 3.9Å; L44-T87 HydrophobicContact CD1-CG2 4.35Å; K56-T87 WeakPolarHBondContact CD-O 3.27Å; K56-T87 PolarHBondContact NZ-O 3.09Å; Y83-T87 WeakPolarHBondContact O-CG2 3.48Å; Y83-T87 PolarHBondContact O-N 3.16Å; F84-T87 WeakPolarHBondContact O-CB 3.3Å; F84-T87 PolarHBondContact O-N 3.19Å; F84-T87 PolarHBondContact O-OG1 2.96Å; V85-T87 PolarHBondContact O-N 3.29Å
88I91.9Very high86.3Confident30 Ų3098.9 Ų98.915%0.15443%0.427CS..  trans-83.9116.9178-51.1-55.5000109.1K56 V60 V85 Y86 D90K56-I88 HydrophobicContact CB-CD1 3.32Å; K56-I88 HydrophobicContact CD-CD1 4.37Å; V60-I88 HydrophobicContact CB-CD1 4.43Å; V60-I88 HydrophobicContact CG2-CD1 4Å; V60-I88 HydrophobicContact CG2-CG1 4.43Å; V85-I88 WeakPolarHBondContact O-CB 3.45Å; V85-I88 PolarHBondContact O-N 3.01Å; Y86-I88 VanDerWaalsContact C-N 3.27Å; I88-D90 WeakPolarHBondContact CG2-O 3.49Å
89R80.6Confident85.7Confident187 Ų18798.1 Ų98.171%0.70642%0.421SS*.  trans-85.8-31.1-178.3-68.3179.1175.3159.4-11.7113.3E53E53-R89 WeakPolarHBondContact OE1-CD 3.26Å; E53-R89 IonicContact OE1-CZ 3.48Å; E53-R89 IonicContact OE1-NE 3.66Å; E53-R89 IonicContact OE1-NH1 2.84Å; E53-R89 PolarHBondContact OE1-NH1 3.26Å
90D68.2Low84.9Confident104 Ų104103.8 Ų103.856%0.55644%0.44SS*.  trans-100.1107.3179.6-156.7-12.6000109.8I88 R92I88-D90 WeakPolarHBondContact CG2-O 3.49Å; D90-R92 VanDerWaalsContact C-N 3.33Å; D90-R92 VanDerWaalsContact OD1-CB 3.31Å; D90-R92 WeakPolarHBondContact OD1-CB 3.38Å; D90-R92 WeakPolarHBondContact OD1-CD 3.28Å; D90-R92 WeakPolarHBondContact OD1-CG 3.23Å; D90-R92 PolarHBondContact OD1-N 2.93Å
91R58.8Low84Confident198 Ų198112.4 Ų112.475%0.74748%0.476SS*.  trans-95.114.4178.7-64.1-175.2-179.6-176.8-1112.4
92R51.8Low83.2Confident291 Ų291114.2 Ų114.2100%1.09848%0.475SS*.  trans-69.10179-75.3177.3175.2179.90.1112.6D90D90-R92 VanDerWaalsContact C-N 3.33Å; D90-R92 VanDerWaalsContact OD1-CB 3.31Å; D90-R92 WeakPolarHBondContact OD1-CB 3.38Å; D90-R92 WeakPolarHBondContact OD1-CD 3.28Å; D90-R92 WeakPolarHBondContact OD1-CG 3.23Å; D90-R92 PolarHBondContact OD1-N 2.93Å

Retrieved 92 of 92 residues in 28.9 ms (Link to these results)

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