A0A077Z6K3_TRITR Loading...

DNA-dependent protein kinase catalytic subunit

AlphaFold DB , UniProt , Accession A0A077Z6K3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 169 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
1M79.7Confident93Very high192 Ų19276.5 Ų76.595%0.94638%0.381SS*.  0-590-163.2167.1176.900112C3 C4 L5M1-C3 PolarHBondContact O-N 2.94Å; M1-C4 PolarHBondContact O-N 3.47Å; M1-C4 VanDerWaalsContact O-N 3.15Å; M1-L5 HydrophobicContact CG-CD1 4.36Å; M1-L5 PolarHBondContact O-N 3.15Å
2Y87.9Confident93.4Very high148 Ų14871.8 Ų71.858%0.5836%0.361SS*.Hα-helixtrans-51-49.1-179.2176.7-106.3000115.1C4 L5 R6Y2-C4 VanDerWaalsContact C-N 3.28Å; Y2-C4 PolarHBondContact O-N 3.24Å; Y2-L5 PolarHBondContact O-N 3.32Å; Y2-R6 WeakPolarHBondContact O-CB 3.42Å; Y2-R6 PolarHBondContact O-N 2.87Å
3C90.4Very high93.7Very high76 Ų7667.4 Ų67.451%0.51434%0.338SS..Hα-helixtrans-59.6-35.8-179.1-61.60000113.5M1 E7M1-C3 PolarHBondContact O-N 2.94Å; C3-E7 WeakPolarHBondContact O-CB 3.15Å; C3-E7 PolarHBondContact O-N 2.99Å
4C93.5Very high93.9Very high57 Ų5762.6 Ų62.639%0.38531%0.314SS..Hα-helixtrans-71.2-43.2178.7-178.80000111.4M1 Y2 R6 E7 R8M1-C4 PolarHBondContact O-N 3.47Å; M1-C4 VanDerWaalsContact O-N 3.15Å; Y2-C4 VanDerWaalsContact C-N 3.28Å; Y2-C4 PolarHBondContact O-N 3.24Å; C4-R6 VanDerWaalsContact C-N 3.33Å; C4-R6 PolarHBondContact O-N 3.25Å; C4-E7 PolarHBondContact O-N 2.99Å; C4-R8 WeakPolarHBondContact O-CG 3.32Å; C4-R8 PolarHBondContact O-N 3.26Å
5L94.6Very high94.1Very high45 Ų4560.1 Ų60.124%0.23631%0.307CS..Hα-helixtrans-59.7-44.6173.1-67.4172.4000111M1 Y2 E7 R8 F9 L39M1-L5 HydrophobicContact CG-CD1 4.36Å; M1-L5 PolarHBondContact O-N 3.15Å; Y2-L5 PolarHBondContact O-N 3.32Å; L5-E7 PolarHBondContact O-N 3.44Å; L5-R8 PolarHBondContact O-N 3.34Å; L5-F9 WeakPolarHBondContact O-CB 3.37Å; L5-F9 PolarHBondContact O-N 3.4Å; L5-L39 VanDerWaalsContact CD2-C 3.43Å; L5-L39 WeakPolarHBondContact CD2-O 3.35Å
6R94.5Very high94.3Very high41 Ų4158.1 Ų58.116%0.15530%0.297CS..Hα-helixtrans-62.1-43177.7-169.4-177.776.6-130.82.4112.1Y2 C4 F9 I10 V75Y2-R6 WeakPolarHBondContact O-CB 3.42Å; Y2-R6 PolarHBondContact O-N 2.87Å; C4-R6 VanDerWaalsContact C-N 3.33Å; C4-R6 PolarHBondContact O-N 3.25Å; R6-F9 PolarHBondContact O-N 2.91Å; R6-I10 HydrophobicContact CG-CD1 3.91Å; R6-I10 WeakPolarHBondContact O-CB 3.4Å; R6-I10 VanDerWaalsContact O-CG1 3.23Å; R6-I10 WeakPolarHBondContact O-CG1 3.38Å; R6-I10 PolarHBondContact O-N 3.4Å; R6-V75 WeakPolarHBondContact CD-O 3.46Å; R6-V75 HydrophobicContact CG-CG1 3.92Å; R6-V75 VanDerWaalsContact CG-O 3.28Å; R6-V75 WeakPolarHBondContact CG-O 3.47Å
7E95.3Very high94.3Very high112 Ų11254.8 Ų54.852%0.52328%0.28SS..Hα-helixtrans-63.4-45.7177.5-175.7177.7-179.200111.8C3 C4 L5 I10 A11C3-E7 WeakPolarHBondContact O-CB 3.15Å; C3-E7 PolarHBondContact O-N 2.99Å; C4-E7 PolarHBondContact O-N 2.99Å; L5-E7 PolarHBondContact O-N 3.44Å; E7-I10 PolarHBondContact O-N 2.86Å; E7-A11 VanDerWaalsContact O-CB 3.3Å; E7-A11 WeakPolarHBondContact O-CB 3.45Å; E7-A11 PolarHBondContact O-N 3.32Å
8R96.5Very high94.4Very high99 Ų9952.2 Ų52.237%0.37427%0.267SS..Hα-helixtrans-61.4-43.7175.3-74.3-179.8177.8168.1-2.7112.1C4 L5 A11 S12 L39 E41C4-R8 WeakPolarHBondContact O-CG 3.32Å; C4-R8 PolarHBondContact O-N 3.26Å; L5-R8 PolarHBondContact O-N 3.34Å; R8-A11 PolarHBondContact O-N 3.01Å; R8-S12 WeakPolarHBondContact O-CB 3.31Å; R8-S12 PolarHBondContact O-N 3.37Å; R8-S12 PolarHBondContact O-OG 3.16Å; R8-L39 WeakPolarHBondContact CD-O 3.45Å; R8-E41 HydrophobicContact CB-CG 3.97Å
9F96.8Very high94.4Very high26 Ų2650.8 Ų50.811%0.11427%0.265CS..Hα-helixtrans-57.3-53.7174.7-174.7-90.4000111.3L5 R6 A11 S12 F13 I35 G40 L42 L72 V75L5-F9 WeakPolarHBondContact O-CB 3.37Å; L5-F9 PolarHBondContact O-N 3.4Å; R6-F9 PolarHBondContact O-N 2.91Å; F9-A11 VanDerWaalsContact C-N 3.32Å; F9-A11 PolarHBondContact O-N 2.83Å; F9-S12 PolarHBondContact O-N 3.33Å; F9-S12 PolarHBondContact O-OG 2.98Å; F9-F13 VanDerWaalsContact O-CB 3.31Å; F9-F13 WeakPolarHBondContact O-CB 3.47Å; F9-F13 PolarHBondContact O-N 3.37Å; F9-I35 HydrophobicContact CE2-CD1 4.12Å; F9-I35 HydrophobicContact CE2-CG1 4.43Å; F9-G40 WeakPolarHBondContact CA-O 3.2Å; F9-G40 WeakPolarHBondContact CB-O 3.27Å; F9-G40 PolarHBondContact N-O 3.21Å; F9-L42 HydrophobicContact CD2-CB 4.43Å; F9-L42 HydrophobicContact CE2-CB 4.2Å; F9-L42 HydrophobicContact CE2-CD1 3.86Å; F9-L42 HydrophobicContact CZ-CD1 3.86Å; F9-L72 HydrophobicContact CE1-CD2 3.6Å; F9-L72 HydrophobicContact CZ-CD2 3.56Å; F9-V75 HydrophobicContact CD1-CB 4.28Å; F9-V75 HydrophobicContact CD1-CG1 3.51Å; F9-V75 HydrophobicContact CE1-CB 4.22Å; F9-V75 HydrophobicContact CE1-CG1 3.94Å; F9-V75 HydrophobicContact CE1-CG2 4.15Å; F9-V75 HydrophobicContact CG-CG1 4.26Å
10I97Very high94.4Very high4 Ų448.6 Ų48.62%0.02125%0.253CS..Hα-helixtrans-61.8-40.9-179.3-68.9168.4000111.2R6 E7 A14 V75 L84 L85R6-I10 HydrophobicContact CG-CD1 3.91Å; R6-I10 WeakPolarHBondContact O-CB 3.4Å; R6-I10 VanDerWaalsContact O-CG1 3.23Å; R6-I10 WeakPolarHBondContact O-CG1 3.38Å; R6-I10 PolarHBondContact O-N 3.4Å; E7-I10 PolarHBondContact O-N 2.86Å; I10-A14 WeakPolarHBondContact O-CB 3.35Å; I10-A14 PolarHBondContact O-N 2.97Å; I10-V75 HydrophobicContact CG1-CG1 4.33Å; I10-L84 HydrophobicContact CD1-CB 4.27Å; I10-L84 HydrophobicContact CD1-CD1 4.32Å; I10-L84 HydrophobicContact CG2-CB 3.92Å; I10-L85 VanDerWaalsContact CG2-CA 3.48Å; I10-L85 HydrophobicContact CG2-CB 3.85Å; I10-L85 HydrophobicContact CG2-CD1 4.35Å
11A97.2Very high94.3Very high41 Ų4148.2 Ų48.234%0.33925%0.249SC..Hα-helixtrans-65.2-46.8178.900000112.1E7 R8 F9 A14 A15E7-A11 VanDerWaalsContact O-CB 3.3Å; E7-A11 WeakPolarHBondContact O-CB 3.45Å; E7-A11 PolarHBondContact O-N 3.32Å; R8-A11 PolarHBondContact O-N 3.01Å; F9-A11 VanDerWaalsContact C-N 3.32Å; F9-A11 PolarHBondContact O-N 2.83Å; A11-A14 WeakPolarHBondContact O-CB 3.47Å; A11-A14 PolarHBondContact O-N 3.39Å; A11-A15 WeakPolarHBondContact O-CB 3.28Å; A11-A15 PolarHBondContact O-N 3.23Å
12S97.3Very high94.9Very high21 Ų2139.1 Ų39.115%0.14720%0.204CC..Hα-helixtrans-64.1-42.917764.60000112.2R8 F9 A14 A15 L16 L42R8-S12 WeakPolarHBondContact O-CB 3.31Å; R8-S12 PolarHBondContact O-N 3.37Å; R8-S12 PolarHBondContact O-OG 3.16Å; F9-S12 PolarHBondContact O-N 3.33Å; F9-S12 PolarHBondContact O-OG 2.98Å; S12-A14 PolarHBondContact O-N 2.9Å; S12-A15 PolarHBondContact O-N 2.88Å; S12-L16 PolarHBondContact O-N 3Å; S12-L42 PolarHBondContact OG-N 3.38Å
13F97.1Very high95.1Very high14 Ų1433.9 Ų33.96%0.06119%0.186CC..Hα-helixtrans-63.9-40.1174.7177.3-105.1000112.6F9 L16 S17 L42 F66 R67 L68 L72 L85F9-F13 VanDerWaalsContact O-CB 3.31Å; F9-F13 WeakPolarHBondContact O-CB 3.47Å; F9-F13 PolarHBondContact O-N 3.37Å; F13-L16 PolarHBondContact O-N 3.33Å; F13-S17 WeakPolarHBondContact CZ-OG 3.3Å; F13-S17 VanDerWaalsContact O-CB 3.3Å; F13-S17 WeakPolarHBondContact O-CB 3.38Å; F13-S17 PolarHBondContact O-N 3.06Å; F13-S17 PolarHBondContact O-OG 3.48Å; F13-L42 HydrophobicContact CD2-CD1 4.18Å; F13-F66 HydrophobicContact CZ-CD2 4.38Å; F13-R67 WeakPolarHBondContact CZ-O 3.31Å; F13-L68 HydrophobicContact CE1-CD1 3.98Å; F13-L68 HydrophobicContact CZ-CD1 4.35Å; F13-L72 HydrophobicContact CD2-CD1 4.32Å; F13-L72 HydrophobicContact CD2-CD2 4.25Å; F13-L72 HydrophobicContact CE1-CD1 4.47Å; F13-L72 HydrophobicContact CE2-CD1 3.56Å; F13-L72 HydrophobicContact CE2-CD2 4.28Å; F13-L72 HydrophobicContact CE2-CG 4.5Å; F13-L72 HydrophobicContact CZ-CD1 3.66Å; F13-L85 HydrophobicContact CD1-CD1 3.75Å; F13-L85 HydrophobicContact CE1-CD1 4.06Å; F13-L85 HydrophobicContact CE1-CD2 4.33Å
14A97.4Very high95Very high0 Ų030.9 Ų30.90%017%0.168CC..Hα-helixtrans-61.6-45.4174.500000111.9I10 A11 S12 S17 V18 L85 M89I10-A14 WeakPolarHBondContact O-CB 3.35Å; I10-A14 PolarHBondContact O-N 2.97Å; A11-A14 WeakPolarHBondContact O-CB 3.47Å; A11-A14 PolarHBondContact O-N 3.39Å; S12-A14 PolarHBondContact O-N 2.9Å; A14-S17 PolarHBondContact O-N 2.9Å; A14-V18 WeakPolarHBondContact O-CG2 3.23Å; A14-V18 PolarHBondContact O-N 3.47Å; A14-V18 VanDerWaalsContact O-N 3.11Å; A14-L85 HydrophobicContact CB-CD1 3.92Å; A14-M89 HydrophobicContact CB-CB 4.48Å; A14-M89 HydrophobicContact CB-CG 3.6Å
15A96.9Very high94.9Very high25 Ų2528.9 Ų28.921%0.20715%0.153CC..Hα-helixtrans-61.3-49177.200000111.3A11 S12 S17 V18 A19 F92A11-A15 WeakPolarHBondContact O-CB 3.28Å; A11-A15 PolarHBondContact O-N 3.23Å; S12-A15 PolarHBondContact O-N 2.88Å; A15-S17 PolarHBondContact O-N 3.32Å; A15-V18 PolarHBondContact O-N 3.3Å; A15-A19 WeakPolarHBondContact O-CB 3.41Å; A15-A19 PolarHBondContact O-N 3.07Å; A15-F92 HydrophobicContact CB-CD2 3.61Å; A15-F92 HydrophobicContact CB-CE1 4.43Å; A15-F92 HydrophobicContact CB-CE2 3.54Å; A15-F92 HydrophobicContact CB-CG 4.1Å; A15-F92 HydrophobicContact CB-CZ 3.96Å; A15-F92 WeakPolarHBondContact O-CE1 3.27Å
16L96.2Very high94.6Very high28 Ų2826.9 Ų26.915%0.14714%0.144CC..Hα-helixtrans-59.4-47.6177-177.565.3000111.3S12 F13 V18 A19 T20 L42S12-L16 PolarHBondContact O-N 3Å; F13-L16 PolarHBondContact O-N 3.33Å; L16-V18 VanDerWaalsContact C-N 3.32Å; L16-V18 PolarHBondContact O-N 3.27Å; L16-A19 PolarHBondContact O-N 3Å; L16-A19 VanDerWaalsContact O-N 3.16Å; L16-T20 HydrophobicContact CD1-CG2 3.92Å; L16-T20 HydrophobicContact CG-CG2 4.1Å; L16-T20 VanDerWaalsContact O-CG2 3.32Å; L16-T20 WeakPolarHBondContact O-CG2 3.39Å; L16-T20 PolarHBondContact O-N 2.87Å; L16-T20 PolarHBondContact O-OG1 3.4Å; L16-L42 HydrophobicContact CB-CD2 4.47Å; L16-L42 HydrophobicContact CD2-CD2 3.27Å; L16-L42 HydrophobicContact CG-CD2 4.48Å
17S95.8Very high94.3Very high3 Ų327.1 Ų27.12%0.02115%0.148CC..Hα-helixtrans-60.4-39.4-177.9-630000113F13 A14 A15 T20 Y21F13-S17 WeakPolarHBondContact CZ-OG 3.3Å; F13-S17 VanDerWaalsContact O-CB 3.3Å; F13-S17 WeakPolarHBondContact O-CB 3.38Å; F13-S17 PolarHBondContact O-N 3.06Å; F13-S17 PolarHBondContact O-OG 3.48Å; A14-S17 PolarHBondContact O-N 2.9Å; A15-S17 PolarHBondContact O-N 3.32Å; S17-T20 PolarHBondContact O-OG1 2.91Å; S17-T20 VanDerWaalsContact O-OG1 3.04Å; S17-Y21 WeakPolarHBondContact O-CB 3.28Å; S17-Y21 PolarHBondContact O-N 3.47Å
18V96Very high94Very high7 Ų722.5 Ų22.54%0.04213%0.126CC..Hα-helixtrans-72.4-41.8176173.90000110.8A14 A15 L16 Y21 V22 M89 F92 L93A14-V18 WeakPolarHBondContact O-CG2 3.23Å; A14-V18 PolarHBondContact O-N 3.47Å; A14-V18 VanDerWaalsContact O-N 3.11Å; A15-V18 PolarHBondContact O-N 3.3Å; L16-V18 VanDerWaalsContact C-N 3.32Å; L16-V18 PolarHBondContact O-N 3.27Å; V18-Y21 PolarHBondContact O-N 3.16Å; V18-V22 HydrophobicContact CG1-CG2 4.23Å; V18-V22 WeakPolarHBondContact O-CG2 3.45Å; V18-V22 PolarHBondContact O-N 3.49Å; V18-M89 HydrophobicContact CG2-CB 3.99Å; V18-M89 HydrophobicContact CG2-CE 4.1Å; V18-M89 HydrophobicContact CG2-CG 4.2Å; V18-F92 HydrophobicContact CB-CD1 3.56Å; V18-F92 HydrophobicContact CB-CE1 4.05Å; V18-F92 HydrophobicContact CG1-CD1 3.58Å; V18-F92 HydrophobicContact CG1-CE1 4.06Å; V18-F92 HydrophobicContact CG2-CD1 4.29Å; V18-L93 HydrophobicContact CG1-CB 3.94Å; V18-L93 HydrophobicContact CG1-CD1 3.84Å; V18-L93 HydrophobicContact CG1-CG 4.47Å; V18-L93 HydrophobicContact CG2-CB 4.49Å
19A94.2Very high93.7Very high27 Ų2720.9 Ų20.922%0.22312%0.122CC..Hα-helixtrans-61.6-45.9177.500000111.9A15 L16 Y21 V22 L23 F92A15-A19 WeakPolarHBondContact O-CB 3.41Å; A15-A19 PolarHBondContact O-N 3.07Å; L16-A19 PolarHBondContact O-N 3Å; L16-A19 VanDerWaalsContact O-N 3.16Å; A19-Y21 VanDerWaalsContact C-N 3.32Å; A19-Y21 PolarHBondContact O-N 3.38Å; A19-V22 PolarHBondContact O-N 3.33Å; A19-L23 WeakPolarHBondContact O-CB 3.45Å; A19-L23 WeakPolarHBondContact O-CG 3.16Å; A19-L23 PolarHBondContact O-N 3.35Å; A19-F92 HydrophobicContact CB-CE1 4.31Å
20T93.1Very high93.3Very high5 Ų526.3 Ų26.33%0.03115%0.152CC..Hα-helixtrans-62.9-39.8177.657.50000111.4L16 S17 G24 I25L16-T20 HydrophobicContact CD1-CG2 3.92Å; L16-T20 HydrophobicContact CG-CG2 4.1Å; L16-T20 VanDerWaalsContact O-CG2 3.32Å; L16-T20 WeakPolarHBondContact O-CG2 3.39Å; L16-T20 PolarHBondContact O-N 2.87Å; L16-T20 PolarHBondContact O-OG1 3.4Å; S17-T20 PolarHBondContact O-OG1 2.91Å; S17-T20 VanDerWaalsContact O-OG1 3.04Å; T20-G24 CarbonylContact O-C 3.41Å; T20-G24 VanDerWaalsContact O-CA 3.25Å; T20-G24 WeakPolarHBondContact O-CA 3.38Å; T20-G24 PolarHBondContact O-N 3.03Å; T20-I25 HydrophobicContact CG2-CB 4.09Å; T20-I25 HydrophobicContact CG2-CG2 4.24Å; T20-I25 PolarHBondContact O-N 2.9Å
21Y93Very high93.1Very high41 Ų4132.1 Ų32.116%0.16118%0.183CC..Hα-helixtrans-62.5-52.7174.4168.2-112.9000112.2S17 V18 A19 L23 G24 P65 K158S17-Y21 WeakPolarHBondContact O-CB 3.28Å; S17-Y21 PolarHBondContact O-N 3.47Å; V18-Y21 PolarHBondContact O-N 3.16Å; A19-Y21 VanDerWaalsContact C-N 3.32Å; A19-Y21 PolarHBondContact O-N 3.38Å; Y21-L23 PolarHBondContact O-N 3.36Å; Y21-G24 PolarHBondContact O-N 2.94Å; Y21-P65 HydrophobicContact CD2-CB 3.68Å; Y21-P65 HydrophobicContact CD2-CG 4.26Å; Y21-P65 HydrophobicContact CE2-CB 4.43Å; Y21-P65 HydrophobicContact CG-CB 4.3Å; Y21-K158 HydrophobicContact CE1-CB 4.33Å; Y21-K158 HydrophobicContact CE1-CG 4.42Å; Y21-K158 HydrophobicContact CE2-CD 4.38Å; Y21-K158 WeakPolarHBondContact O-CD 3.29Å; Y21-K158 WeakPolarHBondContact O-CE 3.24Å; Y21-K158 PolarHBondContact O-NZ 3.46Å
22V93Very high92.9Very high2 Ų230.7 Ų30.71%0.01217%0.17CC..Hα-helixtrans-61.4-48.1-176.7170.90000110.6V18 A19 G24 L93 V96 L103 K158 I159V18-V22 HydrophobicContact CG1-CG2 4.23Å; V18-V22 WeakPolarHBondContact O-CG2 3.45Å; V18-V22 PolarHBondContact O-N 3.49Å; A19-V22 PolarHBondContact O-N 3.33Å; V22-G24 VanDerWaalsContact C-N 3.33Å; V22-G24 PolarHBondContact O-N 3.44Å; V22-L93 HydrophobicContact CG2-CD1 4.27Å; V22-V96 HydrophobicContact CG1-CG1 4.36Å; V22-V96 HydrophobicContact CG2-CG1 4.36Å; V22-L103 HydrophobicContact CG1-CD2 4.22Å; V22-K158 WeakPolarHBondContact O-CD 3.37Å; V22-I159 HydrophobicContact CG1-CD1 4.21Å; V22-I159 HydrophobicContact CG1-CG1 3.84Å
23L91Very high92.7Very high37 Ų3731.6 Ų31.619%0.19417%0.172CC..Hα-helixtrans-80.8-11.4-177.8-62.3176000113.6A19 Y21 I25 F51 L107A19-L23 WeakPolarHBondContact O-CB 3.45Å; A19-L23 WeakPolarHBondContact O-CG 3.16Å; A19-L23 PolarHBondContact O-N 3.35Å; Y21-L23 PolarHBondContact O-N 3.36Å; L23-I25 HydrophobicContact CB-CD1 3.83Å; L23-I25 HydrophobicContact CB-CG1 3.89Å; L23-I25 HydrophobicContact CD1-CD1 3.78Å; L23-I25 HydrophobicContact CG-CD1 4.44Å; L23-F51 WeakPolarHBondContact O-CA 3.38Å; L23-F51 PolarHBondContact O-N 2.89Å; L23-L107 HydrophobicContact CD2-CD1 3.67Å; L23-L107 HydrophobicContact CD2-CD2 3.57Å; L23-L107 HydrophobicContact CD2-CG 4.22Å
24G89.3Confident92.7Very high13 Ų1335 Ų3513%0.13419%0.191CC..THydrogen-bonded Turntrans63.540.6-174.400000112.6T20 Y21 V22 A50 F51 G52T20-G24 CarbonylContact O-C 3.41Å; T20-G24 VanDerWaalsContact O-CA 3.25Å; T20-G24 WeakPolarHBondContact O-CA 3.38Å; T20-G24 PolarHBondContact O-N 3.03Å; Y21-G24 PolarHBondContact O-N 2.94Å; V22-G24 VanDerWaalsContact C-N 3.33Å; V22-G24 PolarHBondContact O-N 3.44Å; G24-A50 CarbonylContact O-C 3.55Å; G24-F51 PolarHBondContact O-N 3.03Å; G24-G52 PolarHBondContact O-N 2.9Å
25I90.1Very high92.6Very high16 Ų1639.2 Ų39.28%0.08221%0.212CC..  trans-79.9121.2174.5-63.8157.9000108.3T20 L23 F47 C49 A50T20-I25 HydrophobicContact CG2-CB 4.09Å; T20-I25 HydrophobicContact CG2-CG2 4.24Å; T20-I25 PolarHBondContact O-N 2.9Å; L23-I25 HydrophobicContact CB-CD1 3.83Å; L23-I25 HydrophobicContact CB-CG1 3.89Å; L23-I25 HydrophobicContact CD1-CD1 3.78Å; L23-I25 HydrophobicContact CG-CD1 4.44Å; I25-F47 HydrophobicContact CD1-CD1 3.57Å; I25-F47 HydrophobicContact CD1-CE1 3.86Å; I25-F47 HydrophobicContact CG1-CD1 4.1Å; I25-F47 HydrophobicContact CG2-CD1 3.74Å; I25-F47 HydrophobicContact CG2-CE1 4.34Å; I25-C49 CarbonylContact C-O 3.58Å; I25-C49 WeakPolarHBondContact CA-O 3.2Å; I25-A50 HydrophobicContact CG1-CB 4.32Å
26G88.1Confident92.5Very high3 Ų341 Ų413%0.03122%0.218CC..  trans-109.7-155.3168.200000112.5R28 C49 S54 E62G26-R28 VanDerWaalsContact C-N 3.32Å; G26-C49 PolarHBondContact N-O 3.38Å; G26-S54 WeakPolarHBondContact CA-OG 3.31Å; G26-S54 PolarHBondContact N-OG 2.96Å; G26-E62 VanDerWaalsContact CA-OE2 3.27Å; G26-E62 WeakPolarHBondContact CA-OE2 3.33Å
27D88.8Confident92.4Very high46 Ų4647.1 Ų47.125%0.24625%0.251CS..  trans57.141.5-168.7-158.324.8000113.6H29 N32 C49 L58 E62D27-H29 PolarHBondContact O-CD2 3.05Å; D27-H29 PolarHBondContact O-N 2.64Å; D27-H29 IonicContact OD1-CD2 3.45Å; D27-H29 PolarHBondContact OD1-CD2 3.34Å; D27-H29 IonicContact OD2-NE2 2.84Å; D27-N32 PolarHBondContact O-ND2 2.79Å; D27-C49 HydrophobicContact CB-CB 3.73Å; D27-L58 HydrophobicContact CB-CD1 4.35Å; D27-L58 HydrophobicContact CB-CD2 4.49Å; D27-E62 WeakPolarHBondContact CA-OE2 2.98Å; D27-E62 PolarHBondContact N-OE2 2.81Å
28R89.9Confident92.3Very high14 Ų1451 Ų515%0.05328%0.278CS..  trans-82.150.1-176.2-55-48.2-32.9123.713.1115G26 N32 I33 I45 E62 R67G26-R28 VanDerWaalsContact C-N 3.32Å; R28-N32 PolarHBondContact NH2-O 3.44Å; R28-I33 VanDerWaalsContact NH2-CG1 3.25Å; R28-I45 PolarHBondContact NH1-O 3.26Å; R28-E62 PolarHBondContact N-OE2 3.44Å; R28-R67 WeakPolarHBondContact O-CD 3.36Å; R28-R67 PolarHBondContact O-NE 3.08Å; R28-R67 VanDerWaalsContact O-NE 3.1Å
29H89.2Confident92.2Very high65 Ų6554 Ų5430%0.30129%0.293SS..  trans-75.4167168.968.3101.3000112.1D27 D31 N32D27-H29 PolarHBondContact O-CD2 3.05Å; D27-H29 PolarHBondContact O-N 2.64Å; D27-H29 IonicContact OD1-CD2 3.45Å; D27-H29 PolarHBondContact OD1-CD2 3.34Å; D27-H29 IonicContact OD2-NE2 2.84Å; H29-D31 VanDerWaalsContact C-N 3.34Å; H29-D31 IonicContact CE1-OD2 3.57Å; H29-D31 PolarHBondContact CE1-OD2 3.44Å; H29-D31 PolarHBondContact ND1-N 2.96Å; H29-D31 IonicContact ND1-OD2 2.63Å; H29-D31 PolarHBondContact ND1-OD2 3.39Å; H29-D31 PolarHBondContact O-N 2.79Å; H29-N32 PolarHBondContact CD2-ND2 2.75Å; H29-N32 PolarHBondContact NE2-ND2 3.47Å; H29-N32 PolarHBondContact NE2-OD1 3.26Å; H29-N32 PolarHBondContact O-N 3.03Å
30L89.3Confident92.2Very high141 Ų14153.2 Ų53.274%0.73829%0.288SS*.G310 helixtrans-64.3-33.2-172.1-68.3177000113.5N32 I33L30-N32 PolarHBondContact O-N 2.86Å; L30-I33 PolarHBondContact O-N 2.88Å
31D92.4Very high92.3Very high125 Ų12556.8 Ų56.867%0.66830%0.304SS*.G310 helixtrans-71.1-21.2-179.8-40.5-63.7000112.3H29 I33H29-D31 VanDerWaalsContact C-N 3.34Å; H29-D31 IonicContact CE1-OD2 3.57Å; H29-D31 PolarHBondContact CE1-OD2 3.44Å; H29-D31 PolarHBondContact ND1-N 2.96Å; H29-D31 IonicContact ND1-OD2 2.63Å; H29-D31 PolarHBondContact ND1-OD2 3.39Å; H29-D31 PolarHBondContact O-N 2.79Å; D31-I33 PolarHBondContact O-N 3.35Å
32N92.2Very high92.4Very high12 Ų1255.5 Ų55.56%0.06430%0.3CS..G310 helixtrans-83.68.8172.7-75.8-11.1000112.8D27 R28 H29 L30 I45D27-N32 PolarHBondContact O-ND2 2.79Å; R28-N32 PolarHBondContact NH2-O 3.44Å; H29-N32 PolarHBondContact CD2-ND2 2.75Å; H29-N32 PolarHBondContact NE2-ND2 3.47Å; H29-N32 PolarHBondContact NE2-OD1 3.26Å; H29-N32 PolarHBondContact O-N 3.03Å; L30-N32 PolarHBondContact O-N 2.86Å; N32-I45 HydrophobicContact CB-CG1 4.38Å; N32-I45 WeakPolarHBondContact CB-O 3.42Å; N32-I45 WeakPolarHBondContact O-CG1 3.28Å; N32-I45 PolarHBondContact O-N 2.95Å
33I93.8Very high92.5Very high40 Ų4060.4 Ų60.421%0.20533%0.325CS..EExtended strand (participates in β ladder)trans-121.7113.3179.4-60.2179.8000108.3R28 L30 D31 L42R28-I33 VanDerWaalsContact NH2-CG1 3.25Å; L30-I33 PolarHBondContact O-N 2.88Å; D31-I33 PolarHBondContact O-N 3.35Å; I33-L42 HydrophobicContact CG2-CD1 3.51Å; I33-L42 HydrophobicContact CG2-CD2 3.7Å; I33-L42 HydrophobicContact CG2-CG 3.44Å; I33-L42 VanDerWaalsContact CG2-CG 3.44Å
34L96.1Very high92.6Very high86 Ų8658.9 Ų58.945%0.4532%0.318SS..EExtended strand (participates in β ladder)trans-98.3144.8173.4-54.7-179.4000110.1L42 I43 I45L34-L42 WeakPolarHBondContact O-CA 3.4Å; L34-I43 HydrophobicContact CB-CG2 3.72Å; L34-I43 PolarHBondContact N-O 3.46Å; L34-I43 PolarHBondContact O-N 3.4Å; L34-I45 HydrophobicContact CD1-CD1 4.08Å; L34-I45 HydrophobicContact CD1-CG2 3.66Å; L34-I45 HydrophobicContact CD2-CD1 4.06Å; L34-I45 HydrophobicContact CG-CD1 3.92Å; L34-I45 HydrophobicContact CG-CG1 4.27Å; L34-I45 HydrophobicContact CG-CG2 3.94Å
35I95.2Very high92.9Very high87 Ų8761.1 Ų61.145%0.44633%0.327SS..EExtended strand (participates in β ladder)trans-122.8123.3177.4-58.7172.3000108.4F9 L37 E41 L42F9-I35 HydrophobicContact CE2-CD1 4.12Å; F9-I35 HydrophobicContact CE2-CG1 4.43Å; I35-L37 HydrophobicContact CG2-CD2 4.32Å; I35-L37 PolarHBondContact O-N 3.3Å; I35-E41 CarbonylContact C-O 3.6Å; I35-E41 WeakPolarHBondContact CA-O 3.26Å; I35-L42 HydrophobicContact CG1-CG 4.48Å
36D95.7Very high92.8Very high63 Ų6364.6 Ų64.634%0.33735%0.345SS..EExtended strand (participates in β ladder)trans-76.2109.5167.9-176-16.9000109.1S38 L39 G40 E41D36-S38 PolarHBondContact O-N 3.28Å; D36-S38 WeakPolarHBondContact OD1-CA 3.45Å; D36-S38 WeakPolarHBondContact OD1-CB 3.43Å; D36-S38 PolarHBondContact OD1-N 3.23Å; D36-S38 PolarHBondContact OD1-OG 2.89Å; D36-S38 PolarHBondContact OD2-OG 3.3Å; D36-L39 HydrophobicContact CB-CB 4.47Å; D36-L39 PolarHBondContact OD1-N 3.28Å; D36-L39 WeakPolarHBondContact OD2-CD1 3.47Å; D36-L39 WeakPolarHBondContact OD2-CG 3.44Å; D36-G40 WeakPolarHBondContact O-CA 3.32Å; D36-G40 PolarHBondContact O-N 2.88Å; D36-E41 PolarHBondContact N-O 2.99Å; D36-E41 PolarHBondContact O-N 3.33Å
37L93.2Very high92.8Very high157 Ų15769.5 Ų69.582%0.82237%0.366SS*.THydrogen-bonded Turntrans-70.5-19.6-179.2-59.3179.9000113.4I35I35-L37 HydrophobicContact CG2-CD2 4.32Å; I35-L37 PolarHBondContact O-N 3.3Å
38S93.7Very high92.4Very high85 Ų8570.6 Ų70.659%0.59439%0.388SS*.THydrogen-bonded Turntrans-84.2-40.8-179.674.40000112.1D36D36-S38 PolarHBondContact O-N 3.28Å; D36-S38 WeakPolarHBondContact OD1-CA 3.45Å; D36-S38 WeakPolarHBondContact OD1-CB 3.43Å; D36-S38 PolarHBondContact OD1-N 3.23Å; D36-S38 PolarHBondContact OD1-OG 2.89Å; D36-S38 PolarHBondContact OD2-OG 3.3Å
39L94.6Very high92.1Very high68 Ų6870.8 Ų70.836%0.35639%0.391SS..THydrogen-bonded Turntrans-98-19.2-179.2-61.5-178.6000113.5L5 R8 D36 E41L5-L39 VanDerWaalsContact CD2-C 3.43Å; L5-L39 WeakPolarHBondContact CD2-O 3.35Å; R8-L39 WeakPolarHBondContact CD-O 3.45Å; D36-L39 HydrophobicContact CB-CB 4.47Å; D36-L39 PolarHBondContact OD1-N 3.28Å; D36-L39 WeakPolarHBondContact OD2-CD1 3.47Å; D36-L39 WeakPolarHBondContact OD2-CG 3.44Å; L39-E41 VanDerWaalsContact C-N 3.34Å; L39-E41 HydrophobicContact CB-CG 4.07Å
40G94.3Very high91.9Very high11 Ų1168.3 Ų68.311%0.11338%0.382CS..THydrogen-bonded Turntrans75.122.9-174.900000113F9 D36F9-G40 WeakPolarHBondContact CA-O 3.2Å; F9-G40 WeakPolarHBondContact CB-O 3.27Å; F9-G40 PolarHBondContact N-O 3.21Å; D36-G40 WeakPolarHBondContact O-CA 3.32Å; D36-G40 PolarHBondContact O-N 2.88Å
41E96.1Very high91.7Very high80 Ų8062.4 Ų62.437%0.37435%0.351SS..EExtended strand (participates in β ladder)trans-98.6150.4-176-66.9177.8170.200111.2R8 I35 D36 L39R8-E41 HydrophobicContact CB-CG 3.97Å; I35-E41 CarbonylContact C-O 3.6Å; I35-E41 WeakPolarHBondContact CA-O 3.26Å; D36-E41 PolarHBondContact N-O 2.99Å; D36-E41 PolarHBondContact O-N 3.33Å; L39-E41 VanDerWaalsContact C-N 3.34Å; L39-E41 HydrophobicContact CB-CG 4.07Å
42L94.9Very high91.2Very high15 Ų1557.4 Ų57.48%0.07933%0.329CS..EExtended strand (participates in β ladder)trans-114.1133.2179.8-178159.7000109.6F9 S12 F13 L16 I33 L34 I35F9-L42 HydrophobicContact CD2-CB 4.43Å; F9-L42 HydrophobicContact CE2-CB 4.2Å; F9-L42 HydrophobicContact CE2-CD1 3.86Å; F9-L42 HydrophobicContact CZ-CD1 3.86Å; S12-L42 PolarHBondContact OG-N 3.38Å; F13-L42 HydrophobicContact CD2-CD1 4.18Å; L16-L42 HydrophobicContact CB-CD2 4.47Å; L16-L42 HydrophobicContact CD2-CD2 3.27Å; L16-L42 HydrophobicContact CG-CD2 4.48Å; I33-L42 HydrophobicContact CG2-CD1 3.51Å; I33-L42 HydrophobicContact CG2-CD2 3.7Å; I33-L42 HydrophobicContact CG2-CG 3.44Å; I33-L42 VanDerWaalsContact CG2-CG 3.44Å; L34-L42 WeakPolarHBondContact O-CA 3.4Å; I35-L42 HydrophobicContact CG1-CG 4.48Å
43I94.8Very high90.7Very high105 Ų10557 Ų5754%0.53833%0.327SS..EExtended strand (participates in β ladder)trans-124.8132.4174.2-171.3168.8000110.4L34L34-I43 HydrophobicContact CB-CG2 3.72Å; L34-I43 PolarHBondContact N-O 3.46Å; L34-I43 PolarHBondContact O-N 3.4Å
44G93.9Very high90Very high5 Ų555.2 Ų55.25%0.05232%0.318CS..EExtended strand (participates in β ladder)trans-79.3132.4168.700000109.6F47G44-F47 VanDerWaalsContact O-CZ 3.26Å; G44-F47 WeakPolarHBondContact O-CZ 3.28Å
45I93.7Very high89.3Confident60 Ų6053.5 Ų53.531%0.30831%0.313SS..  trans-114.4167.4169.163.7167.5000109.5R28 N32 L34R28-I45 PolarHBondContact NH1-O 3.26Å; N32-I45 HydrophobicContact CB-CG1 4.38Å; N32-I45 WeakPolarHBondContact CB-O 3.42Å; N32-I45 WeakPolarHBondContact O-CG1 3.28Å; N32-I45 PolarHBondContact O-N 2.95Å; L34-I45 HydrophobicContact CD1-CD1 4.08Å; L34-I45 HydrophobicContact CD1-CG2 3.66Å; L34-I45 HydrophobicContact CD2-CD1 4.06Å; L34-I45 HydrophobicContact CG-CD1 3.92Å; L34-I45 HydrophobicContact CG-CG1 4.27Å; L34-I45 HydrophobicContact CG-CG2 3.94Å
46D89.3Confident88.5Confident89 Ų8953.7 Ų53.748%0.47631%0.312SS..  trans57.9102.7-178.1-161.6-15.6000113.8G48D46-G48 PolarHBondContact OD1-N 3.31Å
47F86.8Confident87.6Confident105 Ų10552.8 Ų52.846%0.46131%0.307SS..  trans-111.420.7179.4-55.7-66.5000112.1I25 G44 C49 A50I25-F47 HydrophobicContact CD1-CD1 3.57Å; I25-F47 HydrophobicContact CD1-CE1 3.86Å; I25-F47 HydrophobicContact CG1-CD1 4.1Å; I25-F47 HydrophobicContact CG2-CD1 3.74Å; I25-F47 HydrophobicContact CG2-CE1 4.34Å; G44-F47 VanDerWaalsContact O-CZ 3.26Å; G44-F47 WeakPolarHBondContact O-CZ 3.28Å; F47-C49 PolarHBondContact O-N 2.98Å; F47-C49 VanDerWaalsContact O-N 3.15Å; F47-A50 WeakPolarHBondContact O-CB 3.48Å; F47-A50 PolarHBondContact O-N 3.11Å
48G82Confident87Confident69 Ų6947 Ų4771%0.71128%0.277SS*.SBendtrans-59.6-25.8178.600000113.1D46 A50D46-G48 PolarHBondContact OD1-N 3.31Å; G48-A50 PolarHBondContact O-N 3.44Å
49C82Confident86.5Confident18 Ų1849.2 Ų49.212%0.12229%0.289CS..SBendtrans-97.858177.9-105.70000111.9I25 G26 D27 F47 S54I25-C49 CarbonylContact C-O 3.58Å; I25-C49 WeakPolarHBondContact CA-O 3.2Å; G26-C49 PolarHBondContact N-O 3.38Å; D27-C49 HydrophobicContact CB-CB 3.73Å; F47-C49 PolarHBondContact O-N 2.98Å; F47-C49 VanDerWaalsContact O-N 3.15Å; C49-S54 WeakPolarHBondContact CB-OG 3.49Å; C49-S54 PolarHBondContact O-OG 3.34Å; C49-S54 PolarHBondContact SG-OG 3.17Å; C49-S54 VanDerWaalsContact SG-OG 3.41Å
50A85.5Confident86Confident14 Ų1452.9 Ų52.912%0.11631%0.308CS..  trans-99.1168.6-177.500000114.2G24 I25 F47 G48 G52 T53G24-A50 CarbonylContact O-C 3.55Å; I25-A50 HydrophobicContact CG1-CB 4.32Å; F47-A50 WeakPolarHBondContact O-CB 3.48Å; F47-A50 PolarHBondContact O-N 3.11Å; G48-A50 PolarHBondContact O-N 3.44Å; A50-G52 PolarHBondContact O-N 3.48Å; A50-T53 PolarHBondContact N-OG1 3.36Å; A50-T53 WeakPolarHBondContact O-CB 3.25Å; A50-T53 VanDerWaalsContact O-CG2 3.28Å; A50-T53 WeakPolarHBondContact O-CG2 3.33Å; A50-T53 PolarHBondContact O-N 2.74Å; A50-T53 VanDerWaalsContact O-N 3.11Å; A50-T53 PolarHBondContact O-OG1 2.89Å
51F84.9Confident85.6Confident16 Ų1655.4 Ų55.47%0.0732%0.322CS..THydrogen-bonded Turntrans57.932174.1-54.9-69.9000114.7L23 G24 T53 L107 F110 I111 W118 K151L23-F51 WeakPolarHBondContact O-CA 3.38Å; L23-F51 PolarHBondContact O-N 2.89Å; G24-F51 PolarHBondContact O-N 3.03Å; F51-T53 PolarHBondContact O-N 3.48Å; F51-L107 HydrophobicContact CE1-CD1 4.45Å; F51-L107 HydrophobicContact CE1-CD2 3.87Å; F51-L107 HydrophobicContact CZ-CD2 3.84Å; F51-F110 AromaticContact CE2-CD1 3.69Å; F51-F110 HydrophobicContact CE2-CD1 3.69Å; F51-F110 AromaticContact CE2-CE1 3.72Å; F51-F110 HydrophobicContact CE2-CE1 3.72Å; F51-F110 AromaticContact CZ-CD1 3.8Å; F51-F110 HydrophobicContact CZ-CD1 3.8Å; F51-F110 HydrophobicContact CZ-CE1 4.21Å; F51-I111 HydrophobicContact CD1-CD1 4.1Å; F51-I111 HydrophobicContact CD2-CG1 4.47Å; F51-I111 HydrophobicContact CE1-CD1 3.76Å; F51-I111 HydrophobicContact CE1-CG1 4.24Å; F51-I111 HydrophobicContact CE2-CD1 4.28Å; F51-I111 HydrophobicContact CE2-CG1 3.92Å; F51-I111 HydrophobicContact CZ-CD1 3.85Å; F51-I111 HydrophobicContact CZ-CG1 3.8Å; F51-W118 HydrophobicContact CB-CH2 4.22Å; F51-W118 AromaticContact CD2-CH2 3.68Å; F51-W118 HydrophobicContact CD2-CH2 3.68Å; F51-W118 HydrophobicContact CD2-CZ2 4.35Å; F51-W118 HydrophobicContact CE2-CH2 4.41Å; F51-W118 HydrophobicContact CG-CH2 4.21Å; F51-K151 HydrophobicContact CB-CB 4.02Å; F51-K151 HydrophobicContact CB-CD 4.34Å; F51-K151 HydrophobicContact CB-CG 4.06Å; F51-K151 HydrophobicContact CG-CB 4.49Å; F51-K151 WeakPolarHBondContact O-CD 3.11Å; F51-K151 WeakPolarHBondContact O-CE 3.35Å; F51-K151 PolarHBondContact O-NZ 2.79Å
52G82.2Confident85.1Confident20 Ų2052.9 Ų52.921%0.20631%0.31CS..THydrogen-bonded Turntrans65.327.1-179.500000112.8G24 A50 S55 K151G24-G52 PolarHBondContact O-N 2.9Å; A50-G52 PolarHBondContact O-N 3.48Å; G52-S55 PolarHBondContact O-OG 2.89Å; G52-S55 VanDerWaalsContact O-OG 3.06Å; G52-K151 PolarHBondContact O-NZ 3.17Å
53T81.2Confident84.6Confident4 Ų457.9 Ų57.93%0.02534%0.336CS..  trans-68.9-28.8165.455.20000110.6A50 F51 S55 Q56 L57 W118A50-T53 PolarHBondContact N-OG1 3.36Å; A50-T53 WeakPolarHBondContact O-CB 3.25Å; A50-T53 VanDerWaalsContact O-CG2 3.28Å; A50-T53 WeakPolarHBondContact O-CG2 3.33Å; A50-T53 PolarHBondContact O-N 2.74Å; A50-T53 VanDerWaalsContact O-N 3.11Å; A50-T53 PolarHBondContact O-OG1 2.89Å; F51-T53 PolarHBondContact O-N 3.48Å; T53-S55 PolarHBondContact O-N 2.92Å; T53-S55 VanDerWaalsContact O-N 3.16Å; T53-Q56 WeakPolarHBondContact O-CA 3.49Å; T53-Q56 PolarHBondContact O-N 2.99Å; T53-L57 HydrophobicContact CG2-CD1 4.35Å; T53-L57 WeakPolarHBondContact O-CB 3.21Å; T53-L57 WeakPolarHBondContact O-CG 3.3Å; T53-L57 PolarHBondContact O-N 3.07Å; T53-W118 HydrophobicContact CG2-CZ3 4.15Å
54S80.5Confident84.3Confident3 Ų358.9 Ų58.92%0.02134%0.34CS..Hα-helixtrans-61.4-24.4-180-48.40000115.1G26 C49 Q56 L58 E62G26-S54 WeakPolarHBondContact CA-OG 3.31Å; G26-S54 PolarHBondContact N-OG 2.96Å; C49-S54 WeakPolarHBondContact CB-OG 3.49Å; C49-S54 PolarHBondContact O-OG 3.34Å; C49-S54 PolarHBondContact SG-OG 3.17Å; C49-S54 VanDerWaalsContact SG-OG 3.41Å; S54-Q56 VanDerWaalsContact C-N 3.26Å; S54-L58 WeakPolarHBondContact O-CB 3.39Å; S54-L58 WeakPolarHBondContact O-CG 3.12Å; S54-E62 PolarHBondContact O-N 2.85Å
55S81.2Confident84Confident49 Ų4960.7 Ų60.734%0.34335%0.351SS..Hα-helixtrans-77.6-14.1173.960.60000113G52 T53 P61G52-S55 PolarHBondContact O-OG 2.89Å; G52-S55 VanDerWaalsContact O-OG 3.06Å; T53-S55 PolarHBondContact O-N 2.92Å; T53-S55 VanDerWaalsContact O-N 3.16Å; S55-P61 WeakPolarHBondContact O-CB 3.49Å
56Q77.8Confident83.9Confident91 Ų9160.8 Ų60.843%0.42535%0.349SS..Hα-helixtrans-113.1-34.3-174.9-61.9176.7-23.800112.6T53 S54 V125 Y147T53-Q56 WeakPolarHBondContact O-CA 3.49Å; T53-Q56 PolarHBondContact O-N 2.99Å; S54-Q56 VanDerWaalsContact C-N 3.26Å; Q56-V125 VanDerWaalsContact OE1-CG2 3.26Å; Q56-Y147 PolarHBondContact OE1-OH 3.37Å
57L77.5Confident84Confident44 Ų4461.8 Ų61.823%0.2335%0.346CS..Hα-helixtrans-100.2-28.1-170-56.3-172.2000114.1T53 S121 F124T53-L57 HydrophobicContact CG2-CD1 4.35Å; T53-L57 WeakPolarHBondContact O-CB 3.21Å; T53-L57 WeakPolarHBondContact O-CG 3.3Å; T53-L57 PolarHBondContact O-N 3.07Å; L57-S121 WeakPolarHBondContact CD1-OG 3.37Å; L57-F124 HydrophobicContact CD2-CB 3.38Å; L57-F124 HydrophobicContact CD2-CD2 3.6Å; L57-F124 HydrophobicContact CD2-CG 3.71Å
58L80.8Confident84.3Confident36 Ų3660 Ų6019%0.18834%0.341CS..SBendtrans-73.5142.4179.9-66.5178000110.2D27 S54 I60 E62D27-L58 HydrophobicContact CB-CD1 4.35Å; D27-L58 HydrophobicContact CB-CD2 4.49Å; S54-L58 WeakPolarHBondContact O-CB 3.39Å; S54-L58 WeakPolarHBondContact O-CG 3.12Å; L58-I60 VanDerWaalsContact CB-O 3.29Å; L58-I60 WeakPolarHBondContact CB-O 3.41Å; L58-I60 PolarHBondContact O-N 2.91Å; L58-E62 HydrophobicContact CD1-CB 4.24Å
59P82.9Confident84.8Confident132 Ų13259.4 Ų59.486%0.85732%0.324SS*.SBendtrans-55.2-34.3173.4-2633.9000113.2
60I84.5Confident85.5Confident145 Ų14565.1 Ų65.174%0.74435%0.353SS*.SBendtrans-113.3111168.6-61.1170.9000107L58 E62L58-I60 VanDerWaalsContact CB-O 3.29Å; L58-I60 WeakPolarHBondContact CB-O 3.41Å; L58-I60 PolarHBondContact O-N 2.91Å; I60-E62 PolarHBondContact O-N 3.36Å
61P85.1Confident85.9Confident63 Ų6371.4 Ų71.441%0.40938%0.38SS..  trans-56.4129.7178.9-29.837.1000112.6S55 L63S55-P61 WeakPolarHBondContact O-CB 3.49Å; P61-L63 HydrophobicContact CB-CD2 4.07Å; P61-L63 HydrophobicContact CB-CG 4.32Å; P61-L63 PolarHBondContact O-N 3.36Å
62E85.2Confident86.3Confident28 Ų2872 Ų7213%0.13138%0.384CS..  trans-82.4101.6171.3-173.1153.6-164.100110.1G26 D27 R28 S54 L58 I60 R67G26-E62 VanDerWaalsContact CA-OE2 3.27Å; G26-E62 WeakPolarHBondContact CA-OE2 3.33Å; D27-E62 WeakPolarHBondContact CA-OE2 2.98Å; D27-E62 PolarHBondContact N-OE2 2.81Å; R28-E62 PolarHBondContact N-OE2 3.44Å; S54-E62 PolarHBondContact O-N 2.85Å; L58-E62 HydrophobicContact CD1-CB 4.24Å; I60-E62 PolarHBondContact O-N 3.36Å; E62-R67 IonicContact OE1-CZ 3.42Å; E62-R67 VanDerWaalsContact OE1-CZ 3.32Å; E62-R67 IonicContact OE1-NE 2.77Å; E62-R67 PolarHBondContact OE1-NE 3.03Å; E62-R67 IonicContact OE1-NH2 3.26Å; E62-R67 PolarHBondContact OE1-NH2 3.31Å; E62-R67 IonicContact OE2-NH2 3.46Å; E62-R67 PolarHBondContact OE2-NH2 3.13Å
63L85Confident87Confident119 Ų11972.7 Ų72.762%0.62339%0.385SS*.  trans-96.6-8.3-178.2-57.5-179.6000113.5P61P61-L63 HydrophobicContact CB-CD2 4.07Å; P61-L63 HydrophobicContact CB-CG 4.32Å; P61-L63 PolarHBondContact O-N 3.36Å
64M87.8Confident87.6Confident126 Ų12674.1 Ų74.162%0.62140%0.401SS*.  trans-91.2137.2-176.1-64.3-67.583.600111.5F66M64-F66 VanDerWaalsContact C-N 3.32Å; M64-F66 PolarHBondContact O-N 2.68Å
65P88.3Confident88.3Confident43 Ų4375.9 Ų75.928%0.27941%0.411SS..SBendtrans-58.1-38.8175.8-31.238.8000114.9Y21 M168Y21-P65 HydrophobicContact CD2-CB 3.68Å; Y21-P65 HydrophobicContact CD2-CG 4.26Å; Y21-P65 HydrophobicContact CE2-CB 4.43Å; Y21-P65 HydrophobicContact CG-CB 4.3Å; P65-M168 HydrophobicContact CG-CE 4.25Å; P65-M168 HydrophobicContact CG-SD 4.48Å
66F91.1Very high89Confident63 Ų6373.9 Ų73.928%0.27640%0.397SS..SBendtrans-162.5162.9177.663.3-84.8000109.4F13 M64 L68 M89F13-F66 HydrophobicContact CZ-CD2 4.38Å; M64-F66 VanDerWaalsContact C-N 3.32Å; M64-F66 PolarHBondContact O-N 2.68Å; F66-L68 HydrophobicContact CD2-CB 4.29Å; F66-L68 HydrophobicContact CE2-CB 3.88Å; F66-L68 HydrophobicContact CE2-CD2 4.43Å; F66-M89 HydrophobicContact CD1-CE 4.29Å; F66-M89 HydrophobicContact CE1-CE 3.74Å; F66-M89 HydrophobicContact CE2-CE 4.22Å; F66-M89 HydrophobicContact CZ-CE 3.7Å; F66-M89 HydrophobicContact CZ-SD 4.42Å
67R91.4Very high89.8Confident110 Ų11074 Ų7442%0.41540%0.401SS..  trans-101.2107.3-177.7-63.8-175.6-159.8-14412.2111.5F13 R28 E62 L72F13-R67 WeakPolarHBondContact CZ-O 3.31Å; R28-R67 WeakPolarHBondContact O-CD 3.36Å; R28-R67 PolarHBondContact O-NE 3.08Å; R28-R67 VanDerWaalsContact O-NE 3.1Å; E62-R67 IonicContact OE1-CZ 3.42Å; E62-R67 VanDerWaalsContact OE1-CZ 3.32Å; E62-R67 IonicContact OE1-NE 2.77Å; E62-R67 PolarHBondContact OE1-NE 3.03Å; E62-R67 IonicContact OE1-NH2 3.26Å; E62-R67 PolarHBondContact OE1-NH2 3.31Å; E62-R67 IonicContact OE2-NH2 3.46Å; E62-R67 PolarHBondContact OE2-NH2 3.13Å; R67-L72 VanDerWaalsContact O-CD1 3.3Å; R67-L72 WeakPolarHBondContact O-CD1 3.39Å
68L93.5Very high90.6Very high66 Ų6677.7 Ų77.735%0.34643%0.428SS..  trans-10587.2173.1-175.761.2000109.7F13 F66 L72 V81 L85F13-L68 HydrophobicContact CE1-CD1 3.98Å; F13-L68 HydrophobicContact CZ-CD1 4.35Å; F66-L68 HydrophobicContact CD2-CB 4.29Å; F66-L68 HydrophobicContact CE2-CB 3.88Å; F66-L68 HydrophobicContact CE2-CD2 4.43Å; L68-L72 HydrophobicContact CD1-CB 4.14Å; L68-V81 HydrophobicContact CD2-CG1 4.23Å; L68-L85 HydrophobicContact CD1-CD2 3.83Å; L68-L85 HydrophobicContact CD2-CD2 4.47Å
69T93.5Very high91.1Very high58 Ų5880.1 Ų80.136%0.35644%0.444SS..  trans-78.6163.8-179.6660000111.7Q71 L72 C73T69-Q71 PolarHBondContact O-N 3.44Å; T69-L72 WeakPolarHBondContact O-CB 3.49Å; T69-L72 PolarHBondContact O-N 3.38Å; T69-L72 WeakPolarHBondContact OG1-CG 3.48Å; T69-L72 PolarHBondContact OG1-N 2.64Å; T69-C73 PolarHBondContact O-N 2.88Å; T69-C73 PolarHBondContact O-SG 3.39Å
70N95.7Very high91.7Very high138 Ų13874.7 Ų74.774%0.73841%0.411SS*.Hα-helixtrans-58.3-34.9176.7-69.6-13.3000112.6C73 G74N70-C73 WeakPolarHBondContact O-CB 3.47Å; N70-C73 PolarHBondContact O-N 3.15Å; N70-G74 PolarHBondContact O-N 3Å
71Q93.3Very high92.2Very high146 Ų14670 Ų7068%0.68239%0.389SS*.Hα-helixtrans-64.1-42.4176-65.282.1-12.800110.9T69 G74 V75T69-Q71 PolarHBondContact O-N 3.44Å; Q71-G74 PolarHBondContact O-N 3.26Å; Q71-V75 WeakPolarHBondContact O-CG2 3.3Å; Q71-V75 PolarHBondContact O-N 3.08Å
72L93.7Very high92.7Very high27 Ų2773 Ų7314%0.14140%0.402CS..Hα-helixtrans-69.5-36.9175.8-69.2167.4000112.1F9 F13 R67 L68 T69 G74 V75F9-L72 HydrophobicContact CE1-CD2 3.6Å; F9-L72 HydrophobicContact CZ-CD2 3.56Å; F13-L72 HydrophobicContact CD2-CD1 4.32Å; F13-L72 HydrophobicContact CD2-CD2 4.25Å; F13-L72 HydrophobicContact CE1-CD1 4.47Å; F13-L72 HydrophobicContact CE2-CD1 3.56Å; F13-L72 HydrophobicContact CE2-CD2 4.28Å; F13-L72 HydrophobicContact CE2-CG 4.5Å; F13-L72 HydrophobicContact CZ-CD1 3.66Å; R67-L72 VanDerWaalsContact O-CD1 3.3Å; R67-L72 WeakPolarHBondContact O-CD1 3.39Å; L68-L72 HydrophobicContact CD1-CB 4.14Å; T69-L72 WeakPolarHBondContact O-CB 3.49Å; T69-L72 PolarHBondContact O-N 3.38Å; T69-L72 WeakPolarHBondContact OG1-CG 3.48Å; T69-L72 PolarHBondContact OG1-N 2.64Å; L72-G74 VanDerWaalsContact C-N 3.32Å; L72-V75 PolarHBondContact O-N 3.48Å
73C96Very high93.2Very high35 Ų3572.7 Ų72.724%0.23641%0.406CS..Hα-helixtrans-59.6-43.4170.2-68.80000111.3T69 N70 V75 C76 D77 V81T69-C73 PolarHBondContact O-N 2.88Å; T69-C73 PolarHBondContact O-SG 3.39Å; N70-C73 WeakPolarHBondContact O-CB 3.47Å; N70-C73 PolarHBondContact O-N 3.15Å; C73-V75 VanDerWaalsContact C-N 3.26Å; C73-V75 PolarHBondContact O-N 3.37Å; C73-C76 WeakPolarHBondContact O-CA 3.42Å; C73-C76 VanDerWaalsContact O-CB 3.28Å; C73-C76 WeakPolarHBondContact O-CB 3.47Å; C73-C76 PolarHBondContact O-N 2.9Å; C73-D77 PolarHBondContact O-N 3.05Å; C73-V81 HydrophobicContact CB-CG1 4.36Å
74G95.8Very high93.7Very high34 Ų3469.7 Ų69.735%0.35139%0.39SS..Hα-helixtrans-61.7-30.5177.700000113.6N70 Q71 L72 C76 D77N70-G74 PolarHBondContact O-N 3Å; Q71-G74 PolarHBondContact O-N 3.26Å; L72-G74 VanDerWaalsContact C-N 3.32Å; G74-C76 PolarHBondContact O-N 3.25Å; G74-D77 PolarHBondContact O-N 3.34Å
75V94Very high94.1Very high41 Ų4163.9 Ų63.925%0.24836%0.362CS..Hα-helixtrans-67.5-23.1172.2-177.50000111.9R6 F9 I10 Q71 L72 C73R6-V75 WeakPolarHBondContact CD-O 3.46Å; R6-V75 HydrophobicContact CG-CG1 3.92Å; R6-V75 VanDerWaalsContact CG-O 3.28Å; R6-V75 WeakPolarHBondContact CG-O 3.47Å; F9-V75 HydrophobicContact CD1-CB 4.28Å; F9-V75 HydrophobicContact CD1-CG1 3.51Å; F9-V75 HydrophobicContact CE1-CB 4.22Å; F9-V75 HydrophobicContact CE1-CG1 3.94Å; F9-V75 HydrophobicContact CE1-CG2 4.15Å; F9-V75 HydrophobicContact CG-CG1 4.26Å; I10-V75 HydrophobicContact CG1-CG1 4.33Å; Q71-V75 WeakPolarHBondContact O-CG2 3.3Å; Q71-V75 PolarHBondContact O-N 3.08Å; L72-V75 PolarHBondContact O-N 3.48Å; C73-V75 VanDerWaalsContact C-N 3.26Å; C73-V75 PolarHBondContact O-N 3.37Å
76C96Very high94.6Very high7 Ų769.1 Ų69.15%0.04738%0.376CS..Hα-helixtrans-84.2-12.4177.2-58.90000113.4C73 G74 V79 G80 V81C73-C76 WeakPolarHBondContact O-CA 3.42Å; C73-C76 VanDerWaalsContact O-CB 3.28Å; C73-C76 WeakPolarHBondContact O-CB 3.47Å; C73-C76 PolarHBondContact O-N 2.9Å; G74-C76 PolarHBondContact O-N 3.25Å; C76-V79 PolarHBondContact O-N 2.92Å; C76-G80 PolarHBondContact O-N 2.93Å; C76-V81 HydrophobicContact CB-CG1 4.26Å
77D95Very high94.9Very high92 Ų9268.3 Ų68.349%0.49238%0.379SS..THydrogen-bonded Turntrans-71.4151.2-178.3-70.9-25.6000112.6C73 G74C73-D77 PolarHBondContact O-N 3.05Å; G74-D77 PolarHBondContact O-N 3.34Å
78P93.7Very high95.2Very high123 Ų12364.3 Ų64.380%0.79937%0.367SS*.THydrogen-bonded Turncis-86.7-30.736-36.9000114G80P78-G80 PolarHBondContact O-N 3.43Å
79V92.2Very high95.4Very high87 Ų8763 Ų6353%0.52736%0.36SS..THydrogen-bonded Turntrans-68.1-28.9-178.4-179.80000110.9C76C76-V79 PolarHBondContact O-N 2.92Å
80G94.6Very high95.6Very high17 Ų1762.6 Ų62.618%0.17536%0.357CS..  trans78.3172.6-179.400000113.1C76 P78 N82 G83C76-G80 PolarHBondContact O-N 2.93Å; P78-G80 PolarHBondContact O-N 3.43Å; G80-N82 PolarHBondContact O-N 3.16Å; G80-G83 PolarHBondContact O-N 2.82Å; G80-G83 VanDerWaalsContact O-N 3.16Å
81V96.2Very high95.6Very high47 Ų4763 Ų6329%0.28535%0.352SS..THydrogen-bonded Turntrans-63.3-25.2-174.8-61.80000113.8L68 C73 C76 G83 L85 R86L68-V81 HydrophobicContact CD2-CG1 4.23Å; C73-V81 HydrophobicContact CB-CG1 4.36Å; C76-V81 HydrophobicContact CB-CG1 4.26Å; V81-G83 VanDerWaalsContact C-N 3.26Å; V81-G83 PolarHBondContact O-N 3.34Å; V81-L85 HydrophobicContact CB-CD2 4.11Å; V81-L85 HydrophobicContact CG1-CD2 4.15Å; V81-L85 WeakPolarHBondContact O-CB 3.49Å; V81-R86 WeakPolarHBondContact O-CB 3.32Å; V81-R86 PolarHBondContact O-N 3.34Å
82N95.5Very high95.8Very high127 Ų12759.3 Ų59.368%0.67933%0.334SS*.THydrogen-bonded Turntrans-76-12.1179.6-74.7-40.5000113.8G80G80-N82 PolarHBondContact O-N 3.16Å
83G95Very high96Very high21 Ų2159.9 Ų59.922%0.21634%0.337CS..THydrogen-bonded Turntrans-86.7-111176.100000112.3G80 V81 L85 R86 S87G80-G83 PolarHBondContact O-N 2.82Å; G80-G83 VanDerWaalsContact O-N 3.16Å; V81-G83 VanDerWaalsContact C-N 3.26Å; V81-G83 PolarHBondContact O-N 3.34Å; G83-L85 VanDerWaalsContact C-N 3.34Å; G83-L85 PolarHBondContact O-N 3.04Å; G83-R86 PolarHBondContact O-N 3.18Å; G83-S87 WeakPolarHBondContact O-CB 3.34Å; G83-S87 PolarHBondContact O-N 3.18Å; G83-S87 PolarHBondContact O-OG 3.4Å
84L94.9Very high96Very high55 Ų5565.7 Ų65.729%0.28835%0.354SS..Hα-helixtrans-56.9-46.3-171.9-73.3171.6000112I10 S87 S88I10-L84 HydrophobicContact CD1-CB 4.27Å; I10-L84 HydrophobicContact CD1-CD1 4.32Å; I10-L84 HydrophobicContact CG2-CB 3.92Å; L84-S87 PolarHBondContact O-N 2.89Å; L84-S87 PolarHBondContact O-OG 2.9Å; L84-S88 WeakPolarHBondContact O-CB 3.34Å; L84-S88 PolarHBondContact O-N 3.24Å; L84-S88 PolarHBondContact O-OG 3.34Å; L84-S88 VanDerWaalsContact O-OG 3.07Å
85L97.6Very high96.1Very high4 Ų467.2 Ų67.22%0.02136%0.36CS..Hα-helixtrans-58.2-58-178.8175.759.4000111.7I10 F13 A14 L68 V81 G83 S87 S88 M89I10-L85 VanDerWaalsContact CG2-CA 3.48Å; I10-L85 HydrophobicContact CG2-CB 3.85Å; I10-L85 HydrophobicContact CG2-CD1 4.35Å; F13-L85 HydrophobicContact CD1-CD1 3.75Å; F13-L85 HydrophobicContact CE1-CD1 4.06Å; F13-L85 HydrophobicContact CE1-CD2 4.33Å; A14-L85 HydrophobicContact CB-CD1 3.92Å; L68-L85 HydrophobicContact CD1-CD2 3.83Å; L68-L85 HydrophobicContact CD2-CD2 4.47Å; V81-L85 HydrophobicContact CB-CD2 4.11Å; V81-L85 HydrophobicContact CG1-CD2 4.15Å; V81-L85 WeakPolarHBondContact O-CB 3.49Å; G83-L85 VanDerWaalsContact C-N 3.34Å; G83-L85 PolarHBondContact O-N 3.04Å; L85-S87 VanDerWaalsContact C-N 3.31Å; L85-S87 PolarHBondContact O-N 3.15Å; L85-S88 PolarHBondContact O-N 2.95Å; L85-M89 HydrophobicContact CD1-CG 4.02Å; L85-M89 HydrophobicContact CD1-SD 3.9Å; L85-M89 HydrophobicContact CG-SD 4.05Å; L85-M89 VanDerWaalsContact O-CG 3.31Å; L85-M89 WeakPolarHBondContact O-CG 3.42Å; L85-M89 PolarHBondContact O-N 2.9Å
86R97.5Very high96.1Very high153 Ų15366.3 Ų66.358%0.57735%0.354SS*.Hα-helixtrans-55.6-45.3177.4-178.9178.2-179.6-100.10.1112.1V81 G83 S88 M89 V90V81-R86 WeakPolarHBondContact O-CB 3.32Å; V81-R86 PolarHBondContact O-N 3.34Å; G83-R86 PolarHBondContact O-N 3.18Å; R86-S88 PolarHBondContact O-N 3.35Å; R86-M89 PolarHBondContact O-N 2.88Å; R86-V90 HydrophobicContact CG-CG2 4.48Å; R86-V90 VanDerWaalsContact O-CG2 3.31Å; R86-V90 WeakPolarHBondContact O-CG2 3.37Å; R86-V90 PolarHBondContact O-N 2.64Å
87S97.4Very high96.1Very high47 Ų4771 Ų7133%0.32937%0.37SS..Hα-helixtrans-63.3-41-178.578.10000112.4G83 L84 L85 K91G83-S87 WeakPolarHBondContact O-CB 3.34Å; G83-S87 PolarHBondContact O-N 3.18Å; G83-S87 PolarHBondContact O-OG 3.4Å; L84-S87 PolarHBondContact O-N 2.89Å; L84-S87 PolarHBondContact O-OG 2.9Å; L85-S87 VanDerWaalsContact C-N 3.31Å; L85-S87 PolarHBondContact O-N 3.15Å; S87-K91 WeakPolarHBondContact O-CG 3.3Å; S87-K91 PolarHBondContact O-N 2.86Å
88S97.5Very high96.1Very high26 Ų2673.2 Ų73.218%0.18238%0.382CS..Hα-helixtrans-69-41.7177.4-65.90000111.4L84 L85 R86 V90 K91 F92L84-S88 WeakPolarHBondContact O-CB 3.34Å; L84-S88 PolarHBondContact O-N 3.24Å; L84-S88 PolarHBondContact O-OG 3.34Å; L84-S88 VanDerWaalsContact O-OG 3.07Å; L85-S88 PolarHBondContact O-N 2.95Å; R86-S88 PolarHBondContact O-N 3.35Å; S88-V90 PolarHBondContact O-N 3.21Å; S88-K91 PolarHBondContact O-N 3.42Å; S88-F92 WeakPolarHBondContact O-CB 3.38Å; S88-F92 PolarHBondContact O-N 3.37Å
89M97.9Very high96.1Very high37 Ų3770.1 Ų70.118%0.18236%0.364CS..Hα-helixtrans-61.6-44175.6-70.1-179.980.700111.7A14 V18 F66 L85 R86 F92 L93A14-M89 HydrophobicContact CB-CB 4.48Å; A14-M89 HydrophobicContact CB-CG 3.6Å; V18-M89 HydrophobicContact CG2-CB 3.99Å; V18-M89 HydrophobicContact CG2-CE 4.1Å; V18-M89 HydrophobicContact CG2-CG 4.2Å; F66-M89 HydrophobicContact CD1-CE 4.29Å; F66-M89 HydrophobicContact CE1-CE 3.74Å; F66-M89 HydrophobicContact CE2-CE 4.22Å; F66-M89 HydrophobicContact CZ-CE 3.7Å; F66-M89 HydrophobicContact CZ-SD 4.42Å; L85-M89 HydrophobicContact CD1-CG 4.02Å; L85-M89 HydrophobicContact CD1-SD 3.9Å; L85-M89 HydrophobicContact CG-SD 4.05Å; L85-M89 VanDerWaalsContact O-CG 3.31Å; L85-M89 WeakPolarHBondContact O-CG 3.42Å; L85-M89 PolarHBondContact O-N 2.9Å; R86-M89 PolarHBondContact O-N 2.88Å; M89-F92 PolarHBondContact O-N 3.32Å; M89-L93 VanDerWaalsContact O-CB 3.26Å; M89-L93 WeakPolarHBondContact O-CB 3.43Å; M89-L93 PolarHBondContact O-N 3.12Å
90V97.3Very high96.2Very high51 Ų5166.2 Ų66.231%0.30934%0.341SS..Hα-helixtrans-63.3-44.5177.5170.40000111.2R86 S88 R94R86-V90 HydrophobicContact CG-CG2 4.48Å; R86-V90 VanDerWaalsContact O-CG2 3.31Å; R86-V90 WeakPolarHBondContact O-CG2 3.37Å; R86-V90 PolarHBondContact O-N 2.64Å; S88-V90 PolarHBondContact O-N 3.21Å; V90-R94 WeakPolarHBondContact O-CB 3.46Å; V90-R94 VanDerWaalsContact O-CG 3.28Å; V90-R94 WeakPolarHBondContact O-CG 3.42Å; V90-R94 PolarHBondContact O-N 2.77Å
91K97.8Very high96.1Very high145 Ų14572.2 Ų72.263%0.6337%0.365SS*.Hα-helixtrans-61.8-46.6177.4-75.1173.9-178.7177.30111.6S87 S88 R94 S95S87-K91 WeakPolarHBondContact O-CG 3.3Å; S87-K91 PolarHBondContact O-N 2.86Å; S88-K91 PolarHBondContact O-N 3.42Å; K91-R94 PolarHBondContact O-N 3.05Å; K91-S95 PolarHBondContact O-N 2.78Å
92F97.4Very high96Very high69 Ų6976.3 Ų76.330%0.30338%0.384SS..Hα-helixtrans-65.7-44.8179.9-170.4-91000111.6A15 V18 A19 S88 M89 R94 S95 V96A15-F92 HydrophobicContact CB-CD2 3.61Å; A15-F92 HydrophobicContact CB-CE1 4.43Å; A15-F92 HydrophobicContact CB-CE2 3.54Å; A15-F92 HydrophobicContact CB-CG 4.1Å; A15-F92 HydrophobicContact CB-CZ 3.96Å; A15-F92 WeakPolarHBondContact O-CE1 3.27Å; V18-F92 HydrophobicContact CB-CD1 3.56Å; V18-F92 HydrophobicContact CB-CE1 4.05Å; V18-F92 HydrophobicContact CG1-CD1 3.58Å; V18-F92 HydrophobicContact CG1-CE1 4.06Å; V18-F92 HydrophobicContact CG2-CD1 4.29Å; A19-F92 HydrophobicContact CB-CE1 4.31Å; S88-F92 WeakPolarHBondContact O-CB 3.38Å; S88-F92 PolarHBondContact O-N 3.37Å; M89-F92 PolarHBondContact O-N 3.32Å; F92-R94 VanDerWaalsContact C-N 3.31Å; F92-R94 PolarHBondContact O-N 2.97Å; F92-S95 WeakPolarHBondContact O-CB 3.46Å; F92-S95 PolarHBondContact O-N 3.46Å; F92-S95 VanDerWaalsContact O-N 3.16Å; F92-V96 HydrophobicContact CD1-CG2 3.86Å; F92-V96 HydrophobicContact CE1-CG2 3.57Å; F92-V96 HydrophobicContact CZ-CG2 4.16Å; F92-V96 WeakPolarHBondContact O-CG2 3.46Å; F92-V96 PolarHBondContact O-N 3.27Å
93L96.7Very high95.9Very high39 Ų3972.6 Ų72.620%0.20436%0.364CS..Hα-helixtrans-60.6-40.3176.4-178.460.8000112V18 V22 M89 V96 R97V18-L93 HydrophobicContact CG1-CB 3.94Å; V18-L93 HydrophobicContact CG1-CD1 3.84Å; V18-L93 HydrophobicContact CG1-CG 4.47Å; V18-L93 HydrophobicContact CG2-CB 4.49Å; V22-L93 HydrophobicContact CG2-CD1 4.27Å; M89-L93 VanDerWaalsContact O-CB 3.26Å; M89-L93 WeakPolarHBondContact O-CB 3.43Å; M89-L93 PolarHBondContact O-N 3.12Å; L93-V96 PolarHBondContact O-N 2.92Å; L93-R97 VanDerWaalsContact O-CG 3.27Å; L93-R97 WeakPolarHBondContact O-CG 3.49Å; L93-R97 PolarHBondContact O-N 3.26Å
94R96.9Very high95.8Very high158 Ų15872.5 Ų72.560%0.59636%0.358SS*.Hα-helixtrans-60.7-47.9173.2-74.9172.8-178.7174.2-0.2111.5V90 K91 F92 V96 R97 D98V90-R94 WeakPolarHBondContact O-CB 3.46Å; V90-R94 VanDerWaalsContact O-CG 3.28Å; V90-R94 WeakPolarHBondContact O-CG 3.42Å; V90-R94 PolarHBondContact O-N 2.77Å; K91-R94 PolarHBondContact O-N 3.05Å; F92-R94 VanDerWaalsContact C-N 3.31Å; F92-R94 PolarHBondContact O-N 2.97Å; R94-V96 VanDerWaalsContact C-N 3.3Å; R94-V96 PolarHBondContact O-N 3.13Å; R94-R97 CarbonylContact O-C 3.54Å; R94-R97 WeakPolarHBondContact O-CA 3.46Å; R94-R97 WeakPolarHBondContact O-CB 3.26Å; R94-R97 PolarHBondContact O-N 3.45Å; R94-D98 PolarHBondContact O-N 2.63Å
95S96.3Very high95.7Very high66 Ų6673 Ų7346%0.46237%0.367SS..Hα-helixtrans-57-42.8176.6-173.60000112.6K91 F92 R97 D98 S99K91-S95 PolarHBondContact O-N 2.78Å; F92-S95 WeakPolarHBondContact O-CB 3.46Å; F92-S95 PolarHBondContact O-N 3.46Å; F92-S95 VanDerWaalsContact O-N 3.16Å; S95-R97 VanDerWaalsContact C-N 3.32Å; S95-R97 PolarHBondContact O-N 2.95Å; S95-D98 PolarHBondContact O-N 3.06Å; S95-S99 WeakPolarHBondContact O-CB 3.44Å; S95-S99 PolarHBondContact O-N 3.15Å; S95-S99 PolarHBondContact O-OG 3.43Å
96V95.2Very high95.4Very high21 Ų2175.3 Ų75.313%0.12739%0.386CS..Hα-helixtrans-63.4-38.4175.4170.90000111.5V22 F92 L93 R94 S99 G100 L103 I159V22-V96 HydrophobicContact CG1-CG1 4.36Å; V22-V96 HydrophobicContact CG2-CG1 4.36Å; F92-V96 HydrophobicContact CD1-CG2 3.86Å; F92-V96 HydrophobicContact CE1-CG2 3.57Å; F92-V96 HydrophobicContact CZ-CG2 4.16Å; F92-V96 WeakPolarHBondContact O-CG2 3.46Å; F92-V96 PolarHBondContact O-N 3.27Å; L93-V96 PolarHBondContact O-N 2.92Å; R94-V96 VanDerWaalsContact C-N 3.3Å; R94-V96 PolarHBondContact O-N 3.13Å; V96-S99 CarbonylContact O-C 3.46Å; V96-G100 VanDerWaalsContact O-CA 3.25Å; V96-G100 WeakPolarHBondContact O-CA 3.42Å; V96-G100 PolarHBondContact O-N 2.94Å; V96-L103 HydrophobicContact CG1-CD2 3.78Å; V96-I159 HydrophobicContact CG1-CG1 4.43Å
97R95.6Very high95Very high105 Ų10568.7 Ų68.740%0.39636%0.362SS..Hα-helixtrans-67.7-44.7175.7-73.2178.8170.3171.50.4112.6L93 R94 S95 S99 G100 I159L93-R97 VanDerWaalsContact O-CG 3.27Å; L93-R97 WeakPolarHBondContact O-CG 3.49Å; L93-R97 PolarHBondContact O-N 3.26Å; R94-R97 CarbonylContact O-C 3.54Å; R94-R97 WeakPolarHBondContact O-CA 3.46Å; R94-R97 WeakPolarHBondContact O-CB 3.26Å; R94-R97 PolarHBondContact O-N 3.45Å; S95-R97 VanDerWaalsContact C-N 3.32Å; S95-R97 PolarHBondContact O-N 2.95Å; R97-S99 PolarHBondContact O-N 2.86Å; R97-G100 PolarHBondContact O-N 3.44Å; R97-I159 HydrophobicContact CB-CG2 4.47Å; R97-I159 VanDerWaalsContact CD-O 3.32Å; R97-I159 WeakPolarHBondContact CD-O 3.06Å; R97-I159 HydrophobicContact CG-CG2 4.07Å; R97-I159 WeakPolarHBondContact CG-O 3.19Å; R97-I159 PolarHBondContact NE-O 3.17Å
98D95.9Very high94.5Very high139 Ų13969.3 Ų69.374%0.74336%0.362SS*.Hα-helixtrans-62.1-35.5178.3-61.8-20.2000110.8R94 S95R94-D98 PolarHBondContact O-N 2.63Å; S95-D98 PolarHBondContact O-N 3.06Å
99S94Very high94Very high59 Ų5974 Ų7441%0.41338%0.383SS..THydrogen-bonded Turntrans-96.716.9176.2-52.50000113.6S95 V96 R97 Q101 L102 L103S95-S99 WeakPolarHBondContact O-CB 3.44Å; S95-S99 PolarHBondContact O-N 3.15Å; S95-S99 PolarHBondContact O-OG 3.43Å; V96-S99 CarbonylContact O-C 3.46Å; R97-S99 PolarHBondContact O-N 2.86Å; S99-Q101 VanDerWaalsContact C-N 3.34Å; S99-Q101 PolarHBondContact O-N 2.76Å; S99-L102 PolarHBondContact O-N 3.49Å; S99-L103 PolarHBondContact O-N 3.25Å
100G92.4Very high93.3Very high4 Ų476.9 Ų76.94%0.04140%0.395CS..Hα-helixtrans-60.7-38.5-168.500000113.9V96 R97 L103 L104V96-G100 VanDerWaalsContact O-CA 3.25Å; V96-G100 WeakPolarHBondContact O-CA 3.42Å; V96-G100 PolarHBondContact O-N 2.94Å; R97-G100 PolarHBondContact O-N 3.44Å; G100-L103 PolarHBondContact O-N 3.41Å; G100-L104 WeakPolarHBondContact O-CB 3.34Å; G100-L104 VanDerWaalsContact O-CG 3.28Å; G100-L104 WeakPolarHBondContact O-CG 3.5Å; G100-L104 PolarHBondContact O-N 3.39Å
101Q93Very high92.4Very high144 Ų14474.8 Ų74.867%0.67338%0.382SS*.Hα-helixtrans-66.2-39.4178.9-66.1-59.9-25.500112.6S99 S105S99-Q101 VanDerWaalsContact C-N 3.34Å; S99-Q101 PolarHBondContact O-N 2.76Å; Q101-S105 WeakPolarHBondContact O-CB 3.32Å; Q101-S105 PolarHBondContact O-N 3.32Å; Q101-S105 PolarHBondContact O-OG 2.96Å
102L94.4Very high91.5Very high132 Ų13274.7 Ų74.769%0.69138%0.382SS*.Hα-helixtrans-65.7-44.2175.7178.163.3000110.4S99 S105 A106S99-L102 PolarHBondContact O-N 3.49Å; L102-S105 PolarHBondContact O-N 3.38Å; L102-A106 PolarHBondContact O-N 2.94Å
103L93.3Very high90.6Very high49 Ų4974.8 Ų74.826%0.25739%0.385SS..Hα-helixtrans-60.4-50.4176.9179.860000111.3V22 V96 S99 G100 S105 A106 L107 I159V22-L103 HydrophobicContact CG1-CD2 4.22Å; V96-L103 HydrophobicContact CG1-CD2 3.78Å; S99-L103 PolarHBondContact O-N 3.25Å; G100-L103 PolarHBondContact O-N 3.41Å; L103-S105 VanDerWaalsContact C-N 3.28Å; L103-S105 PolarHBondContact O-N 2.95Å; L103-A106 PolarHBondContact O-N 2.62Å; L103-A106 VanDerWaalsContact O-N 3.15Å; L103-L107 HydrophobicContact CD1-CD1 4.29Å; L103-L107 HydrophobicContact CD1-CG 4.2Å; L103-L107 HydrophobicContact CG-CD1 4.08Å; L103-L107 HydrophobicContact CG-CG 4.41Å; L103-L107 VanDerWaalsContact O-CG 3.27Å; L103-L107 WeakPolarHBondContact O-CG 3.36Å; L103-L107 PolarHBondContact O-N 2.85Å; L103-I159 HydrophobicContact CD2-CD1 3.95Å
104L92.8Very high89.2Confident19 Ų1979 Ų7910%0.09942%0.415CS..Hα-helixtrans-60.1-38.3178.4-70.2170.3000112.3G100 L107 D108 I152 C155 R156 I159G100-L104 WeakPolarHBondContact O-CB 3.34Å; G100-L104 VanDerWaalsContact O-CG 3.28Å; G100-L104 WeakPolarHBondContact O-CG 3.5Å; G100-L104 PolarHBondContact O-N 3.39Å; L104-L107 PolarHBondContact O-N 3.26Å; L104-D108 WeakPolarHBondContact O-CB 3.49Å; L104-D108 PolarHBondContact O-N 3.48Å; L104-I152 HydrophobicContact CD2-CG2 4.16Å; L104-C155 HydrophobicContact CD2-CB 4.36Å; L104-R156 HydrophobicContact CD1-CB 4.07Å; L104-R156 HydrophobicContact CD1-CG 3.87Å; L104-R156 HydrophobicContact CD2-CB 3.97Å; L104-I159 HydrophobicContact CD2-CD1 4.14Å; L104-I159 HydrophobicContact CG-CD1 4.14Å
105S92.6Very high87.9Confident66 Ų6676 Ų7646%0.46242%0.418SS..Hα-helixtrans-64.7-42.1175.7-56.60000111.9Q101 L102 L103 D108 I109Q101-S105 WeakPolarHBondContact O-CB 3.32Å; Q101-S105 PolarHBondContact O-N 3.32Å; Q101-S105 PolarHBondContact O-OG 2.96Å; L102-S105 PolarHBondContact O-N 3.38Å; L103-S105 VanDerWaalsContact C-N 3.28Å; L103-S105 PolarHBondContact O-N 2.95Å; S105-D108 PolarHBondContact O-N 3.42Å; S105-I109 WeakPolarHBondContact O-CG1 3.25Å; S105-I109 PolarHBondContact O-N 2.86Å
106A91.1Very high86.4Confident52 Ų5275 Ų7543%0.4341%0.407SS..Hα-helixtrans-65.1-40.1175.400000111.9L102 L103 I109 F110L102-A106 PolarHBondContact O-N 2.94Å; L103-A106 PolarHBondContact O-N 2.62Å; L103-A106 VanDerWaalsContact O-N 3.15Å; A106-I109 PolarHBondContact O-N 3.08Å; A106-F110 WeakPolarHBondContact O-CB 3.5Å; A106-F110 PolarHBondContact O-N 3.42Å
107L89.5Confident85Confident15 Ų1578.3 Ų78.38%0.07943%0.425CS..Hα-helixtrans-67.6-36.4176.9-65175.7000112.4L23 F51 L103 L104 I109 F110 I111 C155L23-L107 HydrophobicContact CD2-CD1 3.67Å; L23-L107 HydrophobicContact CD2-CD2 3.57Å; L23-L107 HydrophobicContact CD2-CG 4.22Å; F51-L107 HydrophobicContact CE1-CD1 4.45Å; F51-L107 HydrophobicContact CE1-CD2 3.87Å; F51-L107 HydrophobicContact CZ-CD2 3.84Å; L103-L107 HydrophobicContact CD1-CD1 4.29Å; L103-L107 HydrophobicContact CD1-CG 4.2Å; L103-L107 HydrophobicContact CG-CD1 4.08Å; L103-L107 HydrophobicContact CG-CG 4.41Å; L103-L107 VanDerWaalsContact O-CG 3.27Å; L103-L107 WeakPolarHBondContact O-CG 3.36Å; L103-L107 PolarHBondContact O-N 2.85Å; L104-L107 PolarHBondContact O-N 3.26Å; L107-I109 VanDerWaalsContact C-N 3.31Å; L107-I109 PolarHBondContact O-N 3.48Å; L107-F110 PolarHBondContact O-N 2.69Å; L107-I111 WeakPolarHBondContact O-CB 3.47Å; L107-I111 VanDerWaalsContact O-CG1 3.31Å; L107-I111 WeakPolarHBondContact O-CG1 3.37Å; L107-I111 PolarHBondContact O-N 3.23Å; L107-C155 HydrophobicContact CD1-CB 4.22Å
108D87.6Confident83.5Confident59 Ų5974.9 Ų74.932%0.31641%0.412SS..Hα-helixtrans-62.9-38.5175.5-178.459.5000111.8L104 S105 K112 I152L104-D108 WeakPolarHBondContact O-CB 3.49Å; L104-D108 PolarHBondContact O-N 3.48Å; S105-D108 PolarHBondContact O-N 3.42Å; D108-K112 VanDerWaalsContact O-CD 3.29Å; D108-K112 WeakPolarHBondContact O-CD 3.14Å; D108-K112 WeakPolarHBondContact O-CG 3.34Å; D108-K112 PolarHBondContact O-N 3.39Å; D108-K112 WeakPolarHBondContact OD1-CE 3.37Å; D108-K112 IonicContact OD1-NZ 3.95Å; D108-K112 PolarHBondContact OD1-NZ 3.31Å; D108-K112 VanDerWaalsContact OD1-NZ 3.08Å; D108-K112 WeakPolarHBondContact OD2-CE 3.48Å; D108-K112 IonicContact OD2-NZ 3.48Å; D108-K112 PolarHBondContact OD2-NZ 3.2Å; D108-I152 HydrophobicContact CB-CD1 4.07Å
109I87.3Confident81.8Confident124 Ų12473 Ų7364%0.63641%0.405SS*.Hα-helixtrans-66.3-49171.9-63.6165.9000110.2S105 A106 L107 I111 K112 D113S105-I109 WeakPolarHBondContact O-CG1 3.25Å; S105-I109 PolarHBondContact O-N 2.86Å; A106-I109 PolarHBondContact O-N 3.08Å; L107-I109 VanDerWaalsContact C-N 3.31Å; L107-I109 PolarHBondContact O-N 3.48Å; I109-I111 PolarHBondContact O-N 3.04Å; I109-K112 PolarHBondContact O-N 2.89Å; I109-D113 PolarHBondContact O-N 3.36Å
110F82.4Confident80.4Confident99 Ų9973.7 Ų73.743%0.43441%0.407SS..Hα-helixtrans-58.7-45.3-177.5-173.6-100.4000112.2F51 A106 L107 K112 D113 L116F51-F110 AromaticContact CE2-CD1 3.69Å; F51-F110 HydrophobicContact CE2-CD1 3.69Å; F51-F110 AromaticContact CE2-CE1 3.72Å; F51-F110 HydrophobicContact CE2-CE1 3.72Å; F51-F110 AromaticContact CZ-CD1 3.8Å; F51-F110 HydrophobicContact CZ-CD1 3.8Å; F51-F110 HydrophobicContact CZ-CE1 4.21Å; A106-F110 WeakPolarHBondContact O-CB 3.5Å; A106-F110 PolarHBondContact O-N 3.42Å; L107-F110 PolarHBondContact O-N 2.69Å; F110-K112 VanDerWaalsContact C-N 3.25Å; F110-K112 PolarHBondContact O-N 3.34Å; F110-D113 WeakPolarHBondContact O-CB 3.17Å; F110-D113 PolarHBondContact O-N 3.23Å; F110-L116 HydrophobicContact CD1-CD1 3.74Å; F110-L116 HydrophobicContact CE1-CD1 3.66Å; F110-L116 HydrophobicContact CE1-CD2 3.79Å; F110-L116 HydrophobicContact CE1-CG 4.22Å; F110-L116 HydrophobicContact CZ-CD1 4.37Å; F110-L116 HydrophobicContact CZ-CD2 3.94Å; F110-L116 WeakPolarHBondContact O-CD1 3.5Å
111I79.4Confident79Confident7 Ų774.1 Ų74.14%0.03641%0.409CS..Hα-helixtrans-68.9-25.9-177.5-74.2171000112.4F51 L107 I109 D113 W118 P148 I152F51-I111 HydrophobicContact CD1-CD1 4.1Å; F51-I111 HydrophobicContact CD2-CG1 4.47Å; F51-I111 HydrophobicContact CE1-CD1 3.76Å; F51-I111 HydrophobicContact CE1-CG1 4.24Å; F51-I111 HydrophobicContact CE2-CD1 4.28Å; F51-I111 HydrophobicContact CE2-CG1 3.92Å; F51-I111 HydrophobicContact CZ-CD1 3.85Å; F51-I111 HydrophobicContact CZ-CG1 3.8Å; L107-I111 WeakPolarHBondContact O-CB 3.47Å; L107-I111 VanDerWaalsContact O-CG1 3.31Å; L107-I111 WeakPolarHBondContact O-CG1 3.37Å; L107-I111 PolarHBondContact O-N 3.23Å; I109-I111 PolarHBondContact O-N 3.04Å; I111-D113 VanDerWaalsContact C-N 3.28Å; I111-W118 HydrophobicContact CB-CZ2 4.33Å; I111-W118 HydrophobicContact CG1-CZ2 4Å; I111-W118 HydrophobicContact CG2-CZ2 3.96Å; I111-W118 PolarHBondContact O-NE1 3.32Å; I111-P148 HydrophobicContact CG2-CB 3.38Å; I111-P148 HydrophobicContact CG2-CG 4.04Å; I111-I152 HydrophobicContact CB-CD1 4.48Å; I111-I152 HydrophobicContact CD1-CD1 3.92Å; I111-I152 HydrophobicContact CD1-CG1 3.3Å
112K77.8Confident77.6Confident143 Ų14368.5 Ų68.562%0.62238%0.384SS*.THydrogen-bonded Turntrans-81.1-6.8173.8-70.1170.1-174.9166.90113D108 I109 F110D108-K112 VanDerWaalsContact O-CD 3.29Å; D108-K112 WeakPolarHBondContact O-CD 3.14Å; D108-K112 WeakPolarHBondContact O-CG 3.34Å; D108-K112 PolarHBondContact O-N 3.39Å; D108-K112 WeakPolarHBondContact OD1-CE 3.37Å; D108-K112 IonicContact OD1-NZ 3.95Å; D108-K112 PolarHBondContact OD1-NZ 3.31Å; D108-K112 VanDerWaalsContact OD1-NZ 3.08Å; D108-K112 WeakPolarHBondContact OD2-CE 3.48Å; D108-K112 IonicContact OD2-NZ 3.48Å; D108-K112 PolarHBondContact OD2-NZ 3.2Å; I109-K112 PolarHBondContact O-N 2.89Å; F110-K112 VanDerWaalsContact C-N 3.25Å; F110-K112 PolarHBondContact O-N 3.34Å
113D79Confident76.1Confident71 Ų7164.1 Ų64.138%0.3837%0.37SS..  trans-67.8125.2178.4-164.7-60.2000110.5I109 F110 I111 S115 L116I109-D113 PolarHBondContact O-N 3.36Å; F110-D113 WeakPolarHBondContact O-CB 3.17Å; F110-D113 PolarHBondContact O-N 3.23Å; I111-D113 VanDerWaalsContact C-N 3.28Å; D113-S115 VanDerWaalsContact CG-OG 3.28Å; D113-S115 PolarHBondContact O-N 3.44Å; D113-S115 VanDerWaalsContact O-N 3.14Å; D113-S115 WeakPolarHBondContact OD1-CB 3.31Å; D113-S115 PolarHBondContact OD1-N 3.38Å; D113-S115 PolarHBondContact OD1-OG 2.83Å; D113-L116 PolarHBondContact O-N 3.35Å
114P66.9Low74.7Confident127 Ų12767.1 Ų67.183%0.82538%0.382SS*.THydrogen-bonded Turntrans-61.9-17.3178.9-21.432.2000114.9L116P114-L116 PolarHBondContact O-N 3.24Å
115S69.6Low73.3Confident94 Ų9467.1 Ų67.166%0.65738%0.382SS*.THydrogen-bonded Turntrans-69.6-18.8177.363.90000113.3D113 D117D113-S115 VanDerWaalsContact CG-OG 3.28Å; D113-S115 PolarHBondContact O-N 3.44Å; D113-S115 VanDerWaalsContact O-N 3.14Å; D113-S115 WeakPolarHBondContact OD1-CB 3.31Å; D113-S115 PolarHBondContact OD1-N 3.38Å; D113-S115 PolarHBondContact OD1-OG 2.83Å; S115-D117 PolarHBondContact O-N 3.12Å; S115-D117 VanDerWaalsContact O-N 3.17Å
116L64.8Low71.9Confident45 Ų4569.3 Ų69.324%0.23638%0.38CS..SBendtrans-77.7100.5170.3-65.9176.2000108.9F110 D113 P114 W118F110-L116 HydrophobicContact CD1-CD1 3.74Å; F110-L116 HydrophobicContact CE1-CD1 3.66Å; F110-L116 HydrophobicContact CE1-CD2 3.79Å; F110-L116 HydrophobicContact CE1-CG 4.22Å; F110-L116 HydrophobicContact CZ-CD1 4.37Å; F110-L116 HydrophobicContact CZ-CD2 3.94Å; F110-L116 WeakPolarHBondContact O-CD1 3.5Å; D113-L116 PolarHBondContact O-N 3.35Å; P114-L116 PolarHBondContact O-N 3.24Å; L116-W118 HydrophobicContact CB-CZ2 4.43Å; L116-W118 HydrophobicContact CD1-CZ2 3.7Å; L116-W118 VanDerWaalsContact O-CD1 3.25Å; L116-W118 PolarHBondContact O-N 3.47Å
117D65.3Low70.7Confident92 Ų9271 Ų7149%0.49238%0.379SS..  trans-74.571.7174.6-162.6-5.9000110.9S115 T119 V120S115-D117 PolarHBondContact O-N 3.12Å; S115-D117 VanDerWaalsContact O-N 3.17Å; D117-T119 PolarHBondContact O-N 3.11Å; D117-T119 VanDerWaalsContact O-N 3.13Å; D117-T119 VanDerWaalsContact OD1-CB 3.26Å; D117-T119 WeakPolarHBondContact OD1-CB 3.33Å; D117-T119 PolarHBondContact OD1-N 3.19Å; D117-T119 VanDerWaalsContact OD1-N 3.11Å; D117-T119 PolarHBondContact OD1-OG1 3.1Å; D117-V120 HydrophobicContact CB-CG2 4.45Å; D117-V120 PolarHBondContact O-N 2.78Å; D117-V120 WeakPolarHBondContact OD2-CG2 3.29Å
118W64.9Low69.3Low33 Ų3372.8 Ų72.813%0.12540%0.396CS..Hα-helixtrans-57.8-23.5171.5-62.4106.9000110.9F51 T53 I111 L116 V120 S121 L122 Y147F51-W118 HydrophobicContact CB-CH2 4.22Å; F51-W118 AromaticContact CD2-CH2 3.68Å; F51-W118 HydrophobicContact CD2-CH2 3.68Å; F51-W118 HydrophobicContact CD2-CZ2 4.35Å; F51-W118 HydrophobicContact CE2-CH2 4.41Å; F51-W118 HydrophobicContact CG-CH2 4.21Å; T53-W118 HydrophobicContact CG2-CZ3 4.15Å; I111-W118 HydrophobicContact CB-CZ2 4.33Å; I111-W118 HydrophobicContact CG1-CZ2 4Å; I111-W118 HydrophobicContact CG2-CZ2 3.96Å; I111-W118 PolarHBondContact O-NE1 3.32Å; L116-W118 HydrophobicContact CB-CZ2 4.43Å; L116-W118 HydrophobicContact CD1-CZ2 3.7Å; L116-W118 VanDerWaalsContact O-CD1 3.25Å; L116-W118 PolarHBondContact O-N 3.47Å; W118-V120 VanDerWaalsContact C-N 3.25Å; W118-V120 PolarHBondContact O-N 3.31Å; W118-S121 CarbonylContact O-C 3.6Å; W118-S121 WeakPolarHBondContact O-CB 3.22Å; W118-S121 PolarHBondContact O-N 3.19Å; W118-S121 VanDerWaalsContact O-N 3.07Å; W118-L122 HydrophobicContact CB-CD1 3.78Å; W118-L122 HydrophobicContact CB-CG 4.46Å; W118-L122 VanDerWaalsContact O-CB 3.26Å; W118-L122 WeakPolarHBondContact O-CB 3.5Å; W118-L122 WeakPolarHBondContact O-CD1 3.48Å; W118-L122 WeakPolarHBondContact O-CG 3.3Å; W118-L122 PolarHBondContact O-N 3.22Å; W118-Y147 AromaticContact CE3-CD1 3.92Å; W118-Y147 HydrophobicContact CE3-CD1 3.92Å; W118-Y147 AromaticContact CE3-CE1 3.56Å; W118-Y147 HydrophobicContact CE3-CE1 3.56Å; W118-Y147 HydrophobicContact CZ3-CD1 4.23Å; W118-Y147 AromaticContact CZ3-CE1 3.66Å; W118-Y147 HydrophobicContact CZ3-CE1 3.66Å
119T60.7Low68.1Low99 Ų9973.3 Ų73.361%0.60740%0.399SS*.Hα-helixtrans-62.4-35.3-176.178.40000111.9D117 L122 G123D117-T119 PolarHBondContact O-N 3.11Å; D117-T119 VanDerWaalsContact O-N 3.13Å; D117-T119 VanDerWaalsContact OD1-CB 3.26Å; D117-T119 WeakPolarHBondContact OD1-CB 3.33Å; D117-T119 PolarHBondContact OD1-N 3.19Å; D117-T119 VanDerWaalsContact OD1-N 3.11Å; D117-T119 PolarHBondContact OD1-OG1 3.1Å; T119-L122 PolarHBondContact O-N 3.41Å; T119-G123 PolarHBondContact O-N 2.84Å
120V64Low67Low73 Ų7372.8 Ų72.844%0.44239%0.392SS..Hα-helixtrans-62.3-53.3171.7176.80000109.9D117 W118 L122 G123 F124D117-V120 HydrophobicContact CB-CG2 4.45Å; D117-V120 PolarHBondContact O-N 2.78Å; D117-V120 WeakPolarHBondContact OD2-CG2 3.29Å; W118-V120 VanDerWaalsContact C-N 3.25Å; W118-V120 PolarHBondContact O-N 3.31Å; V120-L122 PolarHBondContact O-N 2.99Å; V120-G123 PolarHBondContact O-N 3.34Å; V120-G123 VanDerWaalsContact O-N 3.11Å; V120-F124 HydrophobicContact CG1-CD2 4.03Å; V120-F124 HydrophobicContact CG1-CE2 3.65Å; V120-F124 WeakPolarHBondContact O-CD2 3.37Å; V120-F124 PolarHBondContact O-N 2.77Å
121S62.2Low65.9Low13 Ų1375.6 Ų75.69%0.09141%0.407CS..Hα-helixtrans-56-41.7179-600000112L57 W118 F124 V125L57-S121 WeakPolarHBondContact CD1-OG 3.37Å; W118-S121 CarbonylContact O-C 3.6Å; W118-S121 WeakPolarHBondContact O-CB 3.22Å; W118-S121 PolarHBondContact O-N 3.19Å; W118-S121 VanDerWaalsContact O-N 3.07Å; S121-F124 PolarHBondContact O-N 3.17Å; S121-V125 VanDerWaalsContact O-CG2 3.29Å; S121-V125 WeakPolarHBondContact O-CG2 3.33Å; S121-V125 PolarHBondContact O-N 2.93Å
122L63.4Low64.8Low27 Ų2782 Ų8214%0.14144%0.44CS..Hα-helixtrans-72.7-32.7-179-69159.7000112.3W118 T119 V120 F124 V125 R126 L144 Y147W118-L122 HydrophobicContact CB-CD1 3.78Å; W118-L122 HydrophobicContact CB-CG 4.46Å; W118-L122 VanDerWaalsContact O-CB 3.26Å; W118-L122 WeakPolarHBondContact O-CB 3.5Å; W118-L122 WeakPolarHBondContact O-CD1 3.48Å; W118-L122 WeakPolarHBondContact O-CG 3.3Å; W118-L122 PolarHBondContact O-N 3.22Å; T119-L122 PolarHBondContact O-N 3.41Å; V120-L122 PolarHBondContact O-N 2.99Å; L122-F124 VanDerWaalsContact C-N 3.35Å; L122-V125 PolarHBondContact O-N 2.92Å; L122-R126 WeakPolarHBondContact O-CB 3.44Å; L122-R126 PolarHBondContact O-N 2.96Å; L122-L144 HydrophobicContact CB-CD2 3.85Å; L122-L144 HydrophobicContact CD1-CB 4.45Å; L122-L144 HydrophobicContact CD1-CD2 3.12Å; L122-L144 HydrophobicContact CD1-CG 4.33Å; L122-L144 HydrophobicContact CD2-CD2 3.61Å; L122-L144 HydrophobicContact CG-CD2 3.65Å; L122-Y147 HydrophobicContact CD2-CD1 4.17Å; L122-Y147 HydrophobicContact CD2-CD2 4Å; L122-Y147 HydrophobicContact CD2-CE2 4.49Å; L122-Y147 HydrophobicContact CD2-CG 3.82Å
123G64.4Low63.5Low40 Ų4081.2 Ų81.241%0.41244%0.437SS..Hα-helixtrans-59.9-46.1171.700000111.4T119 V120 R126 E127T119-G123 PolarHBondContact O-N 2.84Å; V120-G123 PolarHBondContact O-N 3.34Å; V120-G123 VanDerWaalsContact O-N 3.11Å; G123-R126 PolarHBondContact O-N 3.1Å; G123-E127 PolarHBondContact O-N 2.68Å
124F63.9Low62.3Low112 Ų11283.6 Ų83.649%0.49146%0.459SS..Hα-helixtrans-67.1-44.8175.1-72.3-72.6000112.7L57 V120 S121 L122 R126 E127 A128L57-F124 HydrophobicContact CD2-CB 3.38Å; L57-F124 HydrophobicContact CD2-CD2 3.6Å; L57-F124 HydrophobicContact CD2-CG 3.71Å; V120-F124 HydrophobicContact CG1-CD2 4.03Å; V120-F124 HydrophobicContact CG1-CE2 3.65Å; V120-F124 WeakPolarHBondContact O-CD2 3.37Å; V120-F124 PolarHBondContact O-N 2.77Å; S121-F124 PolarHBondContact O-N 3.17Å; L122-F124 VanDerWaalsContact C-N 3.35Å; F124-R126 VanDerWaalsContact C-N 3.27Å; F124-R126 PolarHBondContact O-N 3.24Å; F124-E127 PolarHBondContact O-N 2.86Å; F124-E127 VanDerWaalsContact O-N 3.17Å; F124-A128 WeakPolarHBondContact O-CB 3.13Å; F124-A128 PolarHBondContact O-N 3.42Å
125V63.2Low61.6Low19 Ų1982.6 Ų82.612%0.11546%0.455CS..Hα-helixtrans-59-41.2174.6170.90000110.8Q56 S121 L122 A128 L129 Y147Q56-V125 VanDerWaalsContact OE1-CG2 3.26Å; S121-V125 VanDerWaalsContact O-CG2 3.29Å; S121-V125 WeakPolarHBondContact O-CG2 3.33Å; S121-V125 PolarHBondContact O-N 2.93Å; L122-V125 PolarHBondContact O-N 2.92Å; V125-A128 PolarHBondContact O-N 3.46Å; V125-L129 HydrophobicContact CG1-CD1 3.87Å; V125-L129 HydrophobicContact CG1-CG 4.28Å; V125-L129 VanDerWaalsContact O-CB 3.31Å; V125-L129 WeakPolarHBondContact O-CB 3.11Å; V125-L129 VanDerWaalsContact O-CG 3.23Å; V125-L129 WeakPolarHBondContact O-CG 3.14Å; V125-L129 PolarHBondContact O-N 3.38Å; V125-Y147 HydrophobicContact CG2-CE2 4.2Å
126R63.3Low60.7Low111 Ų11183.5 Ų83.542%0.41945%0.452SS..Hα-helixtrans-63.9-42.2176.4-178.5177.2177.7156.7-3.9111.5L122 G123 F124 L129 K130 P138L122-R126 WeakPolarHBondContact O-CB 3.44Å; L122-R126 PolarHBondContact O-N 2.96Å; G123-R126 PolarHBondContact O-N 3.1Å; F124-R126 VanDerWaalsContact C-N 3.27Å; F124-R126 PolarHBondContact O-N 3.24Å; R126-L129 PolarHBondContact O-N 3.37Å; R126-K130 VanDerWaalsContact O-CG 3.3Å; R126-K130 WeakPolarHBondContact O-CG 3.09Å; R126-K130 PolarHBondContact O-N 3.01Å; R126-P138 VanDerWaalsContact NH2-CB 3.31Å
127E65Low59.9Low87 Ų8786.4 Ų86.441%0.40747%0.474SS..Hα-helixtrans-67-43.1177.7-164.755.8-14700111.6G123 F124 L129 K130 Q131G123-E127 PolarHBondContact O-N 2.68Å; F124-E127 PolarHBondContact O-N 2.86Å; F124-E127 VanDerWaalsContact O-N 3.17Å; E127-L129 PolarHBondContact O-N 3.41Å; E127-K130 PolarHBondContact O-N 3.01Å; E127-K130 WeakPolarHBondContact OE2-CD 3.27Å; E127-K130 IonicContact OE2-NZ 3.46Å; E127-K130 PolarHBondContact OE2-NZ 2.98Å; E127-Q131 WeakPolarHBondContact O-CG 3.2Å; E127-Q131 PolarHBondContact O-N 3.42Å; E127-Q131 VanDerWaalsContact O-N 3.15Å
128A61Low59.1Low53 Ų5386.6 Ų86.644%0.43848%0.48SS..Hα-helixtrans-61.2-41.4172.900000112.4F124 V125 Q131 L132F124-A128 WeakPolarHBondContact O-CB 3.13Å; F124-A128 PolarHBondContact O-N 3.42Å; V125-A128 PolarHBondContact O-N 3.46Å; A128-Q131 PolarHBondContact O-N 3.46Å; A128-L132 PolarHBondContact O-N 3.15Å; A128-L132 VanDerWaalsContact O-N 3.16Å
129L62.3Low58.4Low71 Ų7188.9 Ų88.937%0.37249%0.494SS..Hα-helixtrans-67.5-38.3176.6-76174.2000112.8V125 R126 E127 Q131 L132 K133 L139V125-L129 HydrophobicContact CG1-CD1 3.87Å; V125-L129 HydrophobicContact CG1-CG 4.28Å; V125-L129 VanDerWaalsContact O-CB 3.31Å; V125-L129 WeakPolarHBondContact O-CB 3.11Å; V125-L129 VanDerWaalsContact O-CG 3.23Å; V125-L129 WeakPolarHBondContact O-CG 3.14Å; V125-L129 PolarHBondContact O-N 3.38Å; R126-L129 PolarHBondContact O-N 3.37Å; E127-L129 PolarHBondContact O-N 3.41Å; L129-Q131 VanDerWaalsContact C-N 3.26Å; L129-Q131 PolarHBondContact O-N 3.22Å; L129-L132 PolarHBondContact O-N 3.39Å; L129-L132 VanDerWaalsContact O-N 3.14Å; L129-K133 PolarHBondContact O-N 3.04Å; L129-L139 HydrophobicContact CD1-CD1 4.44Å
130K64.6Low57.8Low112 Ų11288.2 Ų88.249%0.48749%0.49SS..Hα-helixtrans-60.2-38.2173.3-76.4173.4-169.9166.40111.6R126 E127 L132R126-K130 VanDerWaalsContact O-CG 3.3Å; R126-K130 WeakPolarHBondContact O-CG 3.09Å; R126-K130 PolarHBondContact O-N 3.01Å; E127-K130 PolarHBondContact O-N 3.01Å; E127-K130 WeakPolarHBondContact OE2-CD 3.27Å; E127-K130 IonicContact OE2-NZ 3.46Å; E127-K130 PolarHBondContact OE2-NZ 2.98Å; K130-L132 VanDerWaalsContact C-N 3.3Å
131Q57.9Low57.2Low159 Ų15990.2 Ų90.274%0.74351%0.505SS*.Hα-helixtrans-69.6-28.9176.7-67-162.325.400112.6E127 A128 L129E127-Q131 WeakPolarHBondContact O-CG 3.2Å; E127-Q131 PolarHBondContact O-N 3.42Å; E127-Q131 VanDerWaalsContact O-N 3.15Å; A128-Q131 PolarHBondContact O-N 3.46Å; L129-Q131 VanDerWaalsContact C-N 3.26Å; L129-Q131 PolarHBondContact O-N 3.22Å
132L56Low56.6Low141 Ų14195.6 Ų95.674%0.73854%0.537SS*.Hα-helixtrans-85.9-29.2178.8-75.1165.7000114.2A128 L129 K130A128-L132 PolarHBondContact O-N 3.15Å; A128-L132 VanDerWaalsContact O-N 3.16Å; L129-L132 PolarHBondContact O-N 3.39Å; L129-L132 VanDerWaalsContact O-N 3.14Å; K130-L132 VanDerWaalsContact C-N 3.3Å
133K51Low56Low127 Ų12799.2 Ų99.255%0.55255%0.553SS**  trans-134101-176.1-68.2-173.1173.7-170.20111L129 S135 D136L129-K133 PolarHBondContact O-N 3.04Å; K133-S135 PolarHBondContact O-N 3.33Å; K133-S135 VanDerWaalsContact O-N 3.13Å; K133-D136 IonicContact NZ-OD2 2.78Å
134S55Low55.8Low121 Ų121100 Ų10085%0.84655%0.547SS*.THydrogen-bonded Turntrans-75.715.6176.1510000114.8
135S52Low56Low106 Ų10698.5 Ų98.574%0.74155%0.551SS**THydrogen-bonded Turntrans-142.51.9-170.6-54.10000118.6K133K133-S135 PolarHBondContact O-N 3.33Å; K133-S135 VanDerWaalsContact O-N 3.13Å
136D49.6Very low56.3Low113 Ų113101.9 Ų101.960%0.60456%0.561SS**SBendtrans-100.9140.6177.8-76.1-31.5000112.8K133K133-D136 IonicContact NZ-OD2 2.78Å
137P47.5Very low56.9Low105 Ų10596.9 Ų96.968%0.68254%0.543SS*.PPolyproline II helixtrans-65.7154.6-177.125.5-33.1000112.8L139P137-L139 PolarHBondContact O-N 3.05Å
138P49.5Very low57.7Low96 Ų9694.2 Ų94.262%0.62353%0.533SS*.PPolyproline II helixtrans-60.9121.2-174.622.6-32000112.1R126 T140R126-P138 VanDerWaalsContact NH2-CB 3.31Å; P138-T140 PolarHBondContact O-N 3.24Å
139L50.4Low58.7Low81 Ų8198.7 Ų98.742%0.42454%0.542SS..PPolyproline II helixtrans-56.4122.5175.6-67161.9000110.4L129 P137L129-L139 HydrophobicContact CD1-CD1 4.44Å; P137-L139 PolarHBondContact O-N 3.05Å
140T47.6Very low59.8Low85 Ų8599.9 Ų99.952%0.52155%0.546SS..PPolyproline II helixtrans-78.6154.7179520000111.8P138 V142 H143 L144P138-T140 PolarHBondContact O-N 3.24Å; T140-V142 PolarHBondContact O-N 3.48Å; T140-V142 VanDerWaalsContact O-N 3.12Å; T140-H143 WeakPolarHBondContact O-CB 3.43Å; T140-H143 PolarHBondContact O-N 3.48Å; T140-L144 VanDerWaalsContact O-CD1 3.24Å; T140-L144 WeakPolarHBondContact O-CD1 3.28Å
141P51.4Low60.9Low115 Ų11595.2 Ų95.275%0.74753%0.526SS*.G310 helixtrans-51.9-35.3-179.2-27.434.2000114.9H143 L144P141-H143 PolarHBondContact O-N 2.82Å; P141-L144 VanDerWaalsContact CA-CD1 3.43Å; P141-L144 WeakPolarHBondContact O-CD1 3.41Å; P141-L144 PolarHBondContact O-N 3.14Å; P141-L144 VanDerWaalsContact O-N 3.15Å
142V49Very low62.3Low127 Ų12789 Ų8977%0.7750%0.497SS*.G310 helixtrans-62.2-28.4179.4-174.10000111.7T140 L144T140-V142 PolarHBondContact O-N 3.48Å; T140-V142 VanDerWaalsContact O-N 3.12Å; V142-L144 VanDerWaalsContact C-N 3.28Å; V142-L144 PolarHBondContact O-N 3.01Å
143H50.7Low64Low102 Ų10285.8 Ų85.847%0.47248%0.478SS..G310 helixtrans-80.40.9179.9-158.5-91.2000113.2T140 P141 W146T140-H143 WeakPolarHBondContact O-CB 3.43Å; T140-H143 PolarHBondContact O-N 3.48Å; P141-H143 PolarHBondContact O-N 2.82Å; H143-W146 AromaticContact CE1-CD1 3.74Å; H143-W146 AromaticContact CE1-NE1 3.66Å; H143-W146 AromaticContact ND1-CD1 3.59Å; H143-W146 AromaticContact ND1-NE1 3.32Å; H143-W146 PolarHBondContact ND1-NE1 3.06Å; H143-W146 PolarHBondContact O-NE1 3.2Å
144L60.6Low65.9Low56 Ų5681.5 Ų81.529%0.29346%0.461SS..G310 helixtrans-89.8-4.3-175.8-7496.8000115.1L122 T140 P141 V142 W146 Y147 P148L122-L144 HydrophobicContact CB-CD2 3.85Å; L122-L144 HydrophobicContact CD1-CB 4.45Å; L122-L144 HydrophobicContact CD1-CD2 3.12Å; L122-L144 HydrophobicContact CD1-CG 4.33Å; L122-L144 HydrophobicContact CD2-CD2 3.61Å; L122-L144 HydrophobicContact CG-CD2 3.65Å; T140-L144 VanDerWaalsContact O-CD1 3.24Å; T140-L144 WeakPolarHBondContact O-CD1 3.28Å; P141-L144 VanDerWaalsContact CA-CD1 3.43Å; P141-L144 WeakPolarHBondContact O-CD1 3.41Å; P141-L144 PolarHBondContact O-N 3.14Å; P141-L144 VanDerWaalsContact O-N 3.15Å; V142-L144 VanDerWaalsContact C-N 3.28Å; V142-L144 PolarHBondContact O-N 3.01Å; L144-W146 PolarHBondContact O-N 2.57Å; L144-W146 VanDerWaalsContact O-N 3.12Å; L144-Y147 PolarHBondContact O-N 3.26Å; L144-P148 WeakPolarHBondContact O-CD 3.47Å
145S67.5Low67.6Low81 Ų8175.8 Ų75.857%0.56642%0.421SS*.G310 helixtrans-64-15.5178.664.90000114.6
146W71.1Confident69.6Low91 Ų9174.6 Ų74.635%0.34540%0.401SS..Hα-helixtrans-78.1-29.1177.667.5-101000113.5H143 L144 K149 Q150H143-W146 AromaticContact CE1-CD1 3.74Å; H143-W146 AromaticContact CE1-NE1 3.66Å; H143-W146 AromaticContact ND1-CD1 3.59Å; H143-W146 AromaticContact ND1-NE1 3.32Å; H143-W146 PolarHBondContact ND1-NE1 3.06Å; H143-W146 PolarHBondContact O-NE1 3.2Å; L144-W146 PolarHBondContact O-N 2.57Å; L144-W146 VanDerWaalsContact O-N 3.12Å; W146-K149 PolarHBondContact O-N 3.36Å; W146-K149 VanDerWaalsContact O-N 3.12Å; W146-Q150 HydrophobicContact CE3-CB 4.16Å; W146-Q150 PolarHBondContact O-N 3.32Å
147Y76Confident71.7Confident6 Ų672.2 Ų72.22%0.02438%0.383CS..Hα-helixtrans-63.2-53.8-171.5-176.3-89.3000111.7Q56 W118 L122 V125 L144 K149 Q150 K151Q56-Y147 PolarHBondContact OE1-OH 3.37Å; W118-Y147 AromaticContact CE3-CD1 3.92Å; W118-Y147 HydrophobicContact CE3-CD1 3.92Å; W118-Y147 AromaticContact CE3-CE1 3.56Å; W118-Y147 HydrophobicContact CE3-CE1 3.56Å; W118-Y147 HydrophobicContact CZ3-CD1 4.23Å; W118-Y147 AromaticContact CZ3-CE1 3.66Å; W118-Y147 HydrophobicContact CZ3-CE1 3.66Å; L122-Y147 HydrophobicContact CD2-CD1 4.17Å; L122-Y147 HydrophobicContact CD2-CD2 4Å; L122-Y147 HydrophobicContact CD2-CE2 4.49Å; L122-Y147 HydrophobicContact CD2-CG 3.82Å; V125-Y147 HydrophobicContact CG2-CE2 4.2Å; L144-Y147 PolarHBondContact O-N 3.26Å; Y147-K149 VanDerWaalsContact C-N 3.33Å; Y147-K149 PolarHBondContact O-N 3.28Å; Y147-Q150 PolarHBondContact O-N 2.97Å; Y147-K151 HydrophobicContact CD1-CG 4.44Å; Y147-K151 HydrophobicContact CE1-CG 4.22Å; Y147-K151 WeakPolarHBondContact O-CG 3.12Å; Y147-K151 PolarHBondContact O-N 2.89Å; Y147-K151 VanDerWaalsContact O-N 3.1Å; Y147-K151 WeakPolarHBondContact OH-CE 3.17Å; Y147-K151 PolarHBondContact OH-NZ 3.41Å
148P80.5Confident73.8Confident30 Ų3068.1 Ų68.120%0.19535%0.354CS..Hα-helixtrans-40.6-54163.2-41.144000115.4I111 L144 Q150 K151 I152I111-P148 HydrophobicContact CG2-CB 3.38Å; I111-P148 HydrophobicContact CG2-CG 4.04Å; L144-P148 WeakPolarHBondContact O-CD 3.47Å; P148-Q150 PolarHBondContact O-N 3.16Å; P148-K151 PolarHBondContact O-N 3.11Å; P148-I152 PolarHBondContact O-N 3.32Å; P148-I152 VanDerWaalsContact O-N 3.11Å
149K82.9Confident75.9Confident148 Ų14864.1 Ų64.164%0.64333%0.328SS*.Hα-helixtrans-65.1-40-175.3-68.1-179.3177.5179.70111.9W146 Y147 K151 I152 E153W146-K149 PolarHBondContact O-N 3.36Å; W146-K149 VanDerWaalsContact O-N 3.12Å; Y147-K149 VanDerWaalsContact C-N 3.33Å; Y147-K149 PolarHBondContact O-N 3.28Å; K149-K151 VanDerWaalsContact C-N 3.31Å; K149-K151 PolarHBondContact O-N 3.12Å; K149-I152 PolarHBondContact O-N 3.5Å; K149-E153 VanDerWaalsContact O-CB 3.3Å; K149-E153 WeakPolarHBondContact O-CB 3.36Å; K149-E153 PolarHBondContact O-N 2.93Å
150Q85.1Confident78Confident95 Ų9565.3 Ų65.344%0.44433%0.331SS..Hα-helixtrans-64.4-37.2176.3-177175.1-7.600111.5W146 Y147 P148 E153 I154W146-Q150 HydrophobicContact CE3-CB 4.16Å; W146-Q150 PolarHBondContact O-N 3.32Å; Y147-Q150 PolarHBondContact O-N 2.97Å; P148-Q150 PolarHBondContact O-N 3.16Å; Q150-E153 WeakPolarHBondContact O-CB 3.49Å; Q150-E153 PolarHBondContact O-N 2.83Å; Q150-I154 HydrophobicContact CG-CD1 4.25Å; Q150-I154 WeakPolarHBondContact O-CG1 3.49Å; Q150-I154 PolarHBondContact O-N 3.2Å
151K86.7Confident80Confident15 Ų1563 Ų637%0.06533%0.325CS..Hα-helixtrans-66.6-41.4176.6-64.9-47.1-166.1158.20112.5F51 G52 Y147 P148 K149 E153 I154 C155F51-K151 HydrophobicContact CB-CB 4.02Å; F51-K151 HydrophobicContact CB-CD 4.34Å; F51-K151 HydrophobicContact CB-CG 4.06Å; F51-K151 HydrophobicContact CG-CB 4.49Å; F51-K151 WeakPolarHBondContact O-CD 3.11Å; F51-K151 WeakPolarHBondContact O-CE 3.35Å; F51-K151 PolarHBondContact O-NZ 2.79Å; G52-K151 PolarHBondContact O-NZ 3.17Å; Y147-K151 HydrophobicContact CD1-CG 4.44Å; Y147-K151 HydrophobicContact CE1-CG 4.22Å; Y147-K151 WeakPolarHBondContact O-CG 3.12Å; Y147-K151 PolarHBondContact O-N 2.89Å; Y147-K151 VanDerWaalsContact O-N 3.1Å; Y147-K151 WeakPolarHBondContact OH-CE 3.17Å; Y147-K151 PolarHBondContact OH-NZ 3.41Å; P148-K151 PolarHBondContact O-N 3.11Å; K149-K151 VanDerWaalsContact C-N 3.31Å; K149-K151 PolarHBondContact O-N 3.12Å; K151-E153 VanDerWaalsContact C-N 3.32Å; K151-I154 HydrophobicContact CD-CD1 4.4Å; K151-I154 PolarHBondContact O-N 2.93Å; K151-C155 PolarHBondContact O-N 3.37Å; K151-C155 VanDerWaalsContact O-N 3.15Å; K151-C155 PolarHBondContact O-SG 2.78Å
152I88.9Confident81.9Confident28 Ų2860.3 Ų60.314%0.14430%0.304CS..Hα-helixtrans-61-45172.7-65.1170.8000110.2L104 D108 I111 P148 K149 I154 C155 R156L104-I152 HydrophobicContact CD2-CG2 4.16Å; D108-I152 HydrophobicContact CB-CD1 4.07Å; I111-I152 HydrophobicContact CB-CD1 4.48Å; I111-I152 HydrophobicContact CD1-CD1 3.92Å; I111-I152 HydrophobicContact CD1-CG1 3.3Å; P148-I152 PolarHBondContact O-N 3.32Å; P148-I152 VanDerWaalsContact O-N 3.11Å; K149-I152 PolarHBondContact O-N 3.5Å; I152-I154 VanDerWaalsContact C-N 3.33Å; I152-I154 PolarHBondContact O-N 3.25Å; I152-C155 WeakPolarHBondContact O-CA 3.2Å; I152-C155 WeakPolarHBondContact O-CB 3.49Å; I152-C155 PolarHBondContact O-N 3.15Å; I152-R156 PolarHBondContact O-N 3.45Å
153E90.6Very high83.8Confident73 Ų7359 Ų5934%0.34129%0.293SS..Hα-helixtrans-60.3-41.5179.7177.855.4-155.900112.1K149 Q150 K151 C155 R156 R157K149-E153 VanDerWaalsContact O-CB 3.3Å; K149-E153 WeakPolarHBondContact O-CB 3.36Å; K149-E153 PolarHBondContact O-N 2.93Å; Q150-E153 WeakPolarHBondContact O-CB 3.49Å; Q150-E153 PolarHBondContact O-N 2.83Å; K151-E153 VanDerWaalsContact C-N 3.32Å; E153-C155 VanDerWaalsContact C-N 3.33Å; E153-C155 PolarHBondContact O-N 3.25Å; E153-R156 WeakPolarHBondContact O-CB 3.29Å; E153-R156 PolarHBondContact O-N 3.43Å; E153-R156 IonicContact OE1-CZ 3.56Å; E153-R156 IonicContact OE1-NE 3.51Å; E153-R156 PolarHBondContact OE1-NE 3.11Å; E153-R156 IonicContact OE1-NH2 3.67Å; E153-R156 PolarHBondContact OE1-NH2 2.51Å; E153-R156 IonicContact OE2-CZ 3.97Å; E153-R156 IonicContact OE2-NE 2.64Å; E153-R156 PolarHBondContact OE2-NE 3.3Å; E153-R156 IonicContact OE2-NH2 2.68Å; E153-R156 PolarHBondContact OE2-NH2 3.11Å; E153-R157 WeakPolarHBondContact O-CG 3.47Å; E153-R157 PolarHBondContact O-N 3.13Å
154I90.6Very high85.4Confident37 Ų3756.6 Ų56.619%0.1929%0.286CS..Hα-helixtrans-59.5-44172.4-73.3165.1000111.1Q150 K151 I152 R157 K158 I167Q150-I154 HydrophobicContact CG-CD1 4.25Å; Q150-I154 WeakPolarHBondContact O-CG1 3.49Å; Q150-I154 PolarHBondContact O-N 3.2Å; K151-I154 HydrophobicContact CD-CD1 4.4Å; K151-I154 PolarHBondContact O-N 2.93Å; I152-I154 VanDerWaalsContact C-N 3.33Å; I152-I154 PolarHBondContact O-N 3.25Å; I154-R157 PolarHBondContact O-N 3.35Å; I154-K158 HydrophobicContact CG2-CD 4.34Å; I154-K158 WeakPolarHBondContact O-CG 3.37Å; I154-K158 PolarHBondContact O-N 3.16Å; I154-K158 VanDerWaalsContact O-N 3.08Å; I154-I167 HydrophobicContact CG2-CG2 3.75Å
155C91.7Very high86.6Confident2 Ų259.4 Ų59.41%0.01431%0.305CS..Hα-helixtrans-63-43.9177.2-61.50000111.2L104 L107 K151 I152 E153 R157 K158 I159L104-C155 HydrophobicContact CD2-CB 4.36Å; L107-C155 HydrophobicContact CD1-CB 4.22Å; K151-C155 PolarHBondContact O-N 3.37Å; K151-C155 VanDerWaalsContact O-N 3.15Å; K151-C155 PolarHBondContact O-SG 2.78Å; I152-C155 WeakPolarHBondContact O-CA 3.2Å; I152-C155 WeakPolarHBondContact O-CB 3.49Å; I152-C155 PolarHBondContact O-N 3.15Å; E153-C155 VanDerWaalsContact C-N 3.33Å; E153-C155 PolarHBondContact O-N 3.25Å; C155-R157 PolarHBondContact O-N 2.78Å; C155-K158 PolarHBondContact O-N 3.31Å; C155-I159 VanDerWaalsContact O-CG1 3.3Å; C155-I159 WeakPolarHBondContact O-CG1 3.41Å; C155-I159 PolarHBondContact O-N 2.86Å
156R93.2Very high87.3Confident81 Ų8158.3 Ų58.331%0.30630%0.297SS..Hα-helixtrans-56.6-49.9175.9-174.4-173.473.778.86.4111.3L104 I152 E153 K158 I159 E160L104-R156 HydrophobicContact CD1-CB 4.07Å; L104-R156 HydrophobicContact CD1-CG 3.87Å; L104-R156 HydrophobicContact CD2-CB 3.97Å; I152-R156 PolarHBondContact O-N 3.45Å; E153-R156 WeakPolarHBondContact O-CB 3.29Å; E153-R156 PolarHBondContact O-N 3.43Å; E153-R156 IonicContact OE1-CZ 3.56Å; E153-R156 IonicContact OE1-NE 3.51Å; E153-R156 PolarHBondContact OE1-NE 3.11Å; E153-R156 IonicContact OE1-NH2 3.67Å; E153-R156 PolarHBondContact OE1-NH2 2.51Å; E153-R156 IonicContact OE2-CZ 3.97Å; E153-R156 IonicContact OE2-NE 2.64Å; E153-R156 PolarHBondContact OE2-NE 3.3Å; E153-R156 IonicContact OE2-NH2 2.68Å; E153-R156 PolarHBondContact OE2-NH2 3.11Å; R156-K158 VanDerWaalsContact C-N 3.34Å; R156-K158 PolarHBondContact O-N 3.07Å; R156-I159 WeakPolarHBondContact O-CB 3.47Å; R156-I159 PolarHBondContact O-N 3.21Å; R156-I159 VanDerWaalsContact O-N 3.15Å; R156-E160 WeakPolarHBondContact CG-OE1 3.41Å; R156-E160 IonicContact CZ-OE1 2.93Å; R156-E160 IonicContact CZ-OE2 3.08Å; R156-E160 IonicContact NH1-OE1 2.92Å; R156-E160 PolarHBondContact NH1-OE1 3.37Å; R156-E160 IonicContact NH1-OE2 3.32Å; R156-E160 PolarHBondContact NH1-OE2 3.41Å; R156-E160 IonicContact NH2-OE2 2.62Å; R156-E160 WeakPolarHBondContact O-CG 3.26Å; R156-E160 PolarHBondContact O-N 2.96Å
157R93.7Very high87.7Confident62 Ų6254.2 Ų54.223%0.23428%0.283CS..Hα-helixtrans-60-40.5178.1-69.2178.767.9-154.8-5.9112.7E153 I154 C155 E160 G161 D162 S166 I167E153-R157 WeakPolarHBondContact O-CG 3.47Å; E153-R157 PolarHBondContact O-N 3.13Å; I154-R157 PolarHBondContact O-N 3.35Å; C155-R157 PolarHBondContact O-N 2.78Å; R157-E160 PolarHBondContact O-N 3.45Å; R157-G161 PolarHBondContact O-N 2.81Å; R157-D162 HydrophobicContact CB-CB 4.14Å; R157-D162 WeakPolarHBondContact CG-OD2 3.26Å; R157-D162 IonicContact CZ-OD2 2.96Å; R157-D162 IonicContact NE-OD2 2.98Å; R157-D162 PolarHBondContact NE-OD2 2.85Å; R157-D162 IonicContact NH2-OD2 3.37Å; R157-D162 PolarHBondContact NH2-OD2 2.88Å; R157-D162 WeakPolarHBondContact O-CB 3.45Å; R157-D162 PolarHBondContact O-N 3.12Å; R157-D162 VanDerWaalsContact O-N 3.08Å; R157-S166 PolarHBondContact NH1-O 3.42Å; R157-S166 PolarHBondContact NH2-O 2.85Å; R157-S166 PolarHBondContact NH2-OG 2.84Å; R157-I167 HydrophobicContact CB-CD1 4.23Å; R157-I167 HydrophobicContact CB-CG1 4.28Å
158K93Very high87.3Confident19 Ų1958.8 Ų58.88%0.08331%0.305CS..Hα-helixtrans-63.5-41.5174.9-70.1174179.71790112.3Y21 V22 I154 C155 R156 G161 I167Y21-K158 HydrophobicContact CE1-CB 4.33Å; Y21-K158 HydrophobicContact CE1-CG 4.42Å; Y21-K158 HydrophobicContact CE2-CD 4.38Å; Y21-K158 WeakPolarHBondContact O-CD 3.29Å; Y21-K158 WeakPolarHBondContact O-CE 3.24Å; Y21-K158 PolarHBondContact O-NZ 3.46Å; V22-K158 WeakPolarHBondContact O-CD 3.37Å; I154-K158 HydrophobicContact CG2-CD 4.34Å; I154-K158 WeakPolarHBondContact O-CG 3.37Å; I154-K158 PolarHBondContact O-N 3.16Å; I154-K158 VanDerWaalsContact O-N 3.08Å; C155-K158 PolarHBondContact O-N 3.31Å; R156-K158 VanDerWaalsContact C-N 3.34Å; R156-K158 PolarHBondContact O-N 3.07Å; K158-G161 PolarHBondContact O-N 3.46Å; K158-I167 HydrophobicContact CG-CD1 3.94Å; K158-I167 HydrophobicContact CG-CG2 4.01Å
159I93.3Very high86Confident12 Ų1264 Ų646%0.06235%0.351CS..Hα-helixtrans-64-47.6176.2-67.4168000109.4V22 V96 R97 L103 L104 C155 R156 G161V22-I159 HydrophobicContact CG1-CD1 4.21Å; V22-I159 HydrophobicContact CG1-CG1 3.84Å; V96-I159 HydrophobicContact CG1-CG1 4.43Å; R97-I159 HydrophobicContact CB-CG2 4.47Å; R97-I159 VanDerWaalsContact CD-O 3.32Å; R97-I159 WeakPolarHBondContact CD-O 3.06Å; R97-I159 HydrophobicContact CG-CG2 4.07Å; R97-I159 WeakPolarHBondContact CG-O 3.19Å; R97-I159 PolarHBondContact NE-O 3.17Å; L103-I159 HydrophobicContact CD2-CD1 3.95Å; L104-I159 HydrophobicContact CD2-CD1 4.14Å; L104-I159 HydrophobicContact CG-CD1 4.14Å; C155-I159 VanDerWaalsContact O-CG1 3.3Å; C155-I159 WeakPolarHBondContact O-CG1 3.41Å; C155-I159 PolarHBondContact O-N 2.86Å; R156-I159 WeakPolarHBondContact O-CB 3.47Å; R156-I159 PolarHBondContact O-N 3.21Å; R156-I159 VanDerWaalsContact O-N 3.15Å; I159-G161 PolarHBondContact O-N 2.97Å; I159-G161 VanDerWaalsContact O-N 3.13Å
160E93.3Very high86.1Confident106 Ų10659.8 Ų59.850%0.49534%0.336SS..Hα-helixtrans-64.5-19.2178.6-72.6171.8-17300113.5R156 R157R156-E160 WeakPolarHBondContact CG-OE1 3.41Å; R156-E160 IonicContact CZ-OE1 2.93Å; R156-E160 IonicContact CZ-OE2 3.08Å; R156-E160 IonicContact NH1-OE1 2.92Å; R156-E160 PolarHBondContact NH1-OE1 3.37Å; R156-E160 IonicContact NH1-OE2 3.32Å; R156-E160 PolarHBondContact NH1-OE2 3.41Å; R156-E160 IonicContact NH2-OE2 2.62Å; R156-E160 WeakPolarHBondContact O-CG 3.26Å; R156-E160 PolarHBondContact O-N 2.96Å; R157-E160 PolarHBondContact O-N 3.45Å
161G90.6Very high86.2Confident38 Ų3857.9 Ų57.939%0.39233%0.33SS..THydrogen-bonded Turntrans89.727.6174.500000113.9R157 K158 I159R157-G161 PolarHBondContact O-N 2.81Å; K158-G161 PolarHBondContact O-N 3.46Å; I159-G161 PolarHBondContact O-N 2.97Å; I159-G161 VanDerWaalsContact O-N 3.13Å
162D91.4Very high86.2Confident58 Ų5860.3 Ų60.331%0.3135%0.345SS..  trans-52.9154.2167.3-84.511.1000111.1R157 P164 I167R157-D162 HydrophobicContact CB-CB 4.14Å; R157-D162 WeakPolarHBondContact CG-OD2 3.26Å; R157-D162 IonicContact CZ-OD2 2.96Å; R157-D162 IonicContact NE-OD2 2.98Å; R157-D162 PolarHBondContact NE-OD2 2.85Å; R157-D162 IonicContact NH2-OD2 3.37Å; R157-D162 PolarHBondContact NH2-OD2 2.88Å; R157-D162 WeakPolarHBondContact O-CB 3.45Å; R157-D162 PolarHBondContact O-N 3.12Å; R157-D162 VanDerWaalsContact O-N 3.08Å; D162-P164 WeakPolarHBondContact O-CD 3.47Å; D162-I167 HydrophobicContact CB-CD1 3.52Å; D162-I167 HydrophobicContact CB-CG1 3.83Å; D162-I167 WeakPolarHBondContact O-CD1 3.14Å
163N88.5Confident86Confident99 Ų9962.2 Ų62.253%0.52936%0.357SS..  trans-61.4124.5178.8-175.6-34.9000109.9V165 S166 I167N163-V165 PolarHBondContact O-N 3.14Å; N163-V165 VanDerWaalsContact O-N 3.12Å; N163-V165 WeakPolarHBondContact OD1-CB 3.31Å; N163-V165 WeakPolarHBondContact OD1-CG2 3.3Å; N163-V165 PolarHBondContact OD1-N 3.2Å; N163-S166 WeakPolarHBondContact O-CA 3.5Å; N163-S166 WeakPolarHBondContact O-CB 3.45Å; N163-S166 PolarHBondContact O-N 3.41Å; N163-S166 PolarHBondContact O-OG 3.13Å; N163-I167 WeakPolarHBondContact O-CG1 3.23Å; N163-I167 PolarHBondContact O-N 3.15Å
164P84.9Confident85.7Confident51 Ų5161.6 Ų61.633%0.33136%0.358SS..G310 helixtrans-56.5-32-178.7-23.431.2000114.3D162 S166 I167 M168D162-P164 WeakPolarHBondContact O-CD 3.47Å; P164-S166 PolarHBondContact O-N 3.29Å; P164-I167 PolarHBondContact O-N 3.32Å; P164-I167 VanDerWaalsContact O-N 3.13Å; P164-M168 HydrophobicContact CB-CE 3.7Å; P164-M168 WeakPolarHBondContact O-CB 3.45Å; P164-M168 WeakPolarHBondContact O-CG 3.17Å; P164-M168 PolarHBondContact O-N 2.91Å
165V84.4Confident85.4Confident116 Ų11663.2 Ų63.270%0.70337%0.369SS*.G310 helixtrans-61.8-33175.5179.70000111.3N163 I167N163-V165 PolarHBondContact O-N 3.14Å; N163-V165 VanDerWaalsContact O-N 3.12Å; N163-V165 WeakPolarHBondContact OD1-CB 3.31Å; N163-V165 WeakPolarHBondContact OD1-CG2 3.3Å; N163-V165 PolarHBondContact OD1-N 3.2Å; V165-I167 VanDerWaalsContact C-N 3.35Å
166S82.4Confident84.9Confident57 Ų5767.6 Ų67.640%0.39940%0.395SS..G310 helixtrans-83.8-7.5178.275.50000114.5R157 N163 P164R157-S166 PolarHBondContact NH1-O 3.42Å; R157-S166 PolarHBondContact NH2-O 2.85Å; R157-S166 PolarHBondContact NH2-OG 2.84Å; N163-S166 WeakPolarHBondContact O-CA 3.5Å; N163-S166 WeakPolarHBondContact O-CB 3.45Å; N163-S166 PolarHBondContact O-N 3.41Å; N163-S166 PolarHBondContact O-OG 3.13Å; P164-S166 PolarHBondContact O-N 3.29Å
167I80Confident84.3Confident6 Ų666.5 Ų66.53%0.03140%0.402CS..THydrogen-bonded Turntrans-108.8-34.2-176.1-55.7168000111.4I154 R157 K158 D162 N163 P164 V165 A169I154-I167 HydrophobicContact CG2-CG2 3.75Å; R157-I167 HydrophobicContact CB-CD1 4.23Å; R157-I167 HydrophobicContact CB-CG1 4.28Å; K158-I167 HydrophobicContact CG-CD1 3.94Å; K158-I167 HydrophobicContact CG-CG2 4.01Å; D162-I167 HydrophobicContact CB-CD1 3.52Å; D162-I167 HydrophobicContact CB-CG1 3.83Å; D162-I167 WeakPolarHBondContact O-CD1 3.14Å; N163-I167 WeakPolarHBondContact O-CG1 3.23Å; N163-I167 PolarHBondContact O-N 3.15Å; P164-I167 PolarHBondContact O-N 3.32Å; P164-I167 VanDerWaalsContact O-N 3.13Å; V165-I167 VanDerWaalsContact C-N 3.35Å; I167-A169 VanDerWaalsContact C-N 3.32Å
168M68.5Low83.5Confident102 Ų10266.9 Ų66.950%0.50242%0.415SS..  trans-85.70.8-176.4-67.2-165.2-84.900114.1P65 P164P65-M168 HydrophobicContact CG-CE 4.25Å; P65-M168 HydrophobicContact CG-SD 4.48Å; P164-M168 HydrophobicContact CB-CE 3.7Å; P164-M168 WeakPolarHBondContact O-CB 3.45Å; P164-M168 WeakPolarHBondContact O-CG 3.17Å; P164-M168 PolarHBondContact O-N 2.91Å
169A51.9Low82.7Confident139 Ų13971.3 Ų71.3100%1.14945%0.446SS*.  trans-81.80171.500000111I167I167-A169 VanDerWaalsContact C-N 3.32Å

Retrieved 169 of 169 residues in 51.2 ms (Link to these results)

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