A0A077ZL43_TRITR Loading...

HTH Tnp 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZL43, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 91 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
1M57Low61.7Low136 Ų13694.5 Ų94.567%0.6752%0.516SS*.  0-54.90-126.2178.6108.700115E4 S5 I19 I23M1-E4 WeakPolarHBondContact CA-OE2 3.43Å; M1-E4 PolarHBondContact N-OE2 3.34Å; M1-S5 PolarHBondContact O-OG 3.49Å; M1-I19 HydrophobicContact CE-CG2 4.29Å; M1-I23 HydrophobicContact CE-CD1 4.17Å
2V52.5Low63.2Low18 Ų1891.7 Ų91.711%0.10950%0.496CS..THydrogen-bonded Turntrans-83.3-44.9175.5-1800000112.2E4 S5 Q6 T15 I16 I19 L30 V34V2-E4 VanDerWaalsContact C-N 3.31Å; V2-E4 PolarHBondContact O-N 3.28Å; V2-S5 PolarHBondContact O-N 3.04Å; V2-Q6 PolarHBondContact O-N 2.84Å; V2-T15 HydrophobicContact CG1-CG2 4.13Å; V2-I16 HydrophobicContact CG1-CG1 4.22Å; V2-I19 HydrophobicContact CB-CD1 4.46Å; V2-I19 HydrophobicContact CG2-CD1 3.99Å; V2-I19 HydrophobicContact CG2-CG2 4.35Å; V2-L30 HydrophobicContact CG2-CD1 4.21Å; V2-L30 HydrophobicContact CG2-CD2 4.08Å; V2-L30 HydrophobicContact CG2-CG 4.35Å; V2-V34 HydrophobicContact CB-CG2 4.19Å; V2-V34 HydrophobicContact CG1-CG2 3.9Å; V2-V34 HydrophobicContact CG2-CG2 4.33Å
3L57Low64.8Low82 Ų8293.5 Ų93.543%0.42949%0.492SS..THydrogen-bonded Turntrans-64.2-35.7176.9-69.8167.4000112.2S5 Q6L3-S5 VanDerWaalsContact C-N 3.33Å; L3-S5 PolarHBondContact O-N 3.37Å; L3-Q6 PolarHBondContact O-N 3.04Å
4E59.6Low66.2Low158 Ų15889.1 Ų89.174%0.73848%0.475SS*.G310 helixtrans-69-30.6177.9-68.7170.9142.300112.8M1 V2M1-E4 WeakPolarHBondContact CA-OE2 3.43Å; M1-E4 PolarHBondContact N-OE2 3.34Å; V2-E4 VanDerWaalsContact C-N 3.31Å; V2-E4 PolarHBondContact O-N 3.28Å
5S58.3Low67.5Low29 Ų2983.1 Ų83.120%0.20344%0.443CS..G310 helixtrans-89.2-0.9179-56.90000113.5M1 V2 L3 G7 E8 Y9M1-S5 PolarHBondContact O-OG 3.49Å; V2-S5 PolarHBondContact O-N 3.04Å; L3-S5 VanDerWaalsContact C-N 3.33Å; L3-S5 PolarHBondContact O-N 3.37Å; S5-G7 PolarHBondContact O-N 3.06Å; S5-E8 PolarHBondContact O-N 3.2Å; S5-E8 VanDerWaalsContact O-N 3.07Å; S5-Y9 WeakPolarHBondContact O-CD2 2.98Å
6Q57.8Low68.8Low73 Ų7378.2 Ų78.234%0.34142%0.417SS..G310 helixtrans-62.4-24.8179.4-79.4-167.4-62.900113.1V2 L3 E8 Y9 Q12V2-Q6 PolarHBondContact O-N 2.84Å; L3-Q6 PolarHBondContact O-N 3.04Å; Q6-E8 VanDerWaalsContact C-N 3.29Å; Q6-E8 PolarHBondContact O-N 3.22Å; Q6-Y9 VanDerWaalsContact O-O 3.14Å; Q6-Q12 HydrophobicContact CG-CG 4.46Å; Q6-Q12 VanDerWaalsContact NE2-CB 3.31Å
7G59.3Low69.9Low82 Ų8276.4 Ų76.485%0.84541%0.411SS*.G310 helixtrans-72.9-18.3175.600000114.4S5S5-G7 PolarHBondContact O-N 3.06Å
8E64.7Low70.8Confident153 Ų15374.4 Ų74.472%0.71541%0.405SS*.G310 helixtrans-94.4-9.9-176.6-98.9163.371.200113.7S5 Q6S5-E8 PolarHBondContact O-N 3.2Å; S5-E8 VanDerWaalsContact O-N 3.07Å; Q6-E8 VanDerWaalsContact C-N 3.29Å; Q6-E8 PolarHBondContact O-N 3.22Å
9Y62.2Low71.7Confident81 Ų8170.9 Ų70.932%0.31839%0.386SS..SBendtrans-132.3143-176.2-62.2-90.6000111.1S5 Q6 S11 T15S5-Y9 WeakPolarHBondContact O-CD2 2.98Å; Q6-Y9 VanDerWaalsContact O-O 3.14Å; Y9-S11 PolarHBondContact O-N 3.31Å; Y9-T15 WeakPolarHBondContact CB-OG1 3.12Å; Y9-T15 HydrophobicContact CD2-CG2 4.1Å
10D72Confident72.5Confident173 Ų17367.4 Ų67.493%0.92537%0.366SS*.SBendtrans-59.2-23.3-174.3-160.6-101.9000114.1
11S78.8Confident73.3Confident54 Ų5468.6 Ų68.638%0.37838%0.378SS..SBendtrans-151.1150.9177.260.50000112.3Y9 W13 A14 T15Y9-S11 PolarHBondContact O-N 3.31Å; S11-W13 PolarHBondContact O-N 2.95Å; S11-W13 VanDerWaalsContact O-N 3.12Å; S11-A14 WeakPolarHBondContact O-CA 3.48Å; S11-A14 WeakPolarHBondContact O-CB 3.37Å; S11-A14 PolarHBondContact O-N 3.23Å; S11-A14 WeakPolarHBondContact OG-CB 3.46Å; S11-A14 PolarHBondContact OG-N 3.16Å; S11-T15 PolarHBondContact O-N 2.78Å; S11-T15 PolarHBondContact O-OG1 2.98Å
12Q79.7Confident74.8Confident61 Ų6169.7 Ų69.729%0.28538%0.379SS..Hα-helixtrans-54.3-32.9174.6-164.8175.33300112Q6 T15 I16 E38Q6-Q12 HydrophobicContact CG-CG 4.46Å; Q6-Q12 VanDerWaalsContact NE2-CB 3.31Å; Q12-T15 WeakPolarHBondContact O-CB 3.43Å; Q12-T15 PolarHBondContact O-N 3.5Å; Q12-I16 HydrophobicContact CG-CD1 4.22Å; Q12-I16 WeakPolarHBondContact O-CB 3.45Å; Q12-I16 WeakPolarHBondContact O-CD1 3.49Å; Q12-I16 WeakPolarHBondContact O-CG1 3.48Å; Q12-I16 PolarHBondContact O-N 3.09Å; Q12-E38 PolarHBondContact NE2-OE1 3.07Å
13W84Confident76.4Confident116 Ų11673.2 Ų73.244%0.43940%0.396SS..Hα-helixtrans-67.4-42.3174.7-177.5-110.9000112.5S11 T15 I16 C17 P27 R31S11-W13 PolarHBondContact O-N 2.95Å; S11-W13 VanDerWaalsContact O-N 3.12Å; W13-T15 VanDerWaalsContact C-N 3.31Å; W13-T15 PolarHBondContact O-N 3.1Å; W13-I16 HydrophobicContact CE3-CG2 4.32Å; W13-I16 HydrophobicContact CZ3-CG2 4.29Å; W13-I16 PolarHBondContact O-N 2.85Å; W13-C17 VanDerWaalsContact CE2-SG 3.52Å; W13-C17 WeakPolarHBondContact O-CB 3.48Å; W13-C17 PolarHBondContact O-N 3.2Å; W13-C17 PolarHBondContact O-SG 2.94Å; W13-P27 HydrophobicContact CH2-CB 4Å; W13-P27 HydrophobicContact CZ3-CB 4.37Å; W13-R31 HydrophobicContact CZ3-CB 4.24Å; W13-R31 HydrophobicContact CZ3-CG 4.41Å
14A84.2Confident77.9Confident31 Ų3172.7 Ų72.726%0.25641%0.411SS..Hα-helixtrans-62.4-39.4174.500000111.8S11 S18S11-A14 WeakPolarHBondContact O-CA 3.48Å; S11-A14 WeakPolarHBondContact O-CB 3.37Å; S11-A14 PolarHBondContact O-N 3.23Å; S11-A14 WeakPolarHBondContact OG-CB 3.46Å; S11-A14 PolarHBondContact OG-N 3.16Å; A14-S18 WeakPolarHBondContact O-CB 3.15Å; A14-S18 PolarHBondContact O-N 3.45Å; A14-S18 PolarHBondContact O-OG 3.3Å
15T85.8Confident79.4Confident0 Ų066.5 Ų66.50%038%0.384CS..Hα-helixtrans-60.9-47.3172.4-42.60000111.1V2 Y9 S11 Q12 W13 S18 I19V2-T15 HydrophobicContact CG1-CG2 4.13Å; Y9-T15 WeakPolarHBondContact CB-OG1 3.12Å; Y9-T15 HydrophobicContact CD2-CG2 4.1Å; S11-T15 PolarHBondContact O-N 2.78Å; S11-T15 PolarHBondContact O-OG1 2.98Å; Q12-T15 WeakPolarHBondContact O-CB 3.43Å; Q12-T15 PolarHBondContact O-N 3.5Å; W13-T15 VanDerWaalsContact C-N 3.31Å; W13-T15 PolarHBondContact O-N 3.1Å; T15-S18 PolarHBondContact O-N 3.45Å; T15-I19 HydrophobicContact CG2-CD1 3.65Å; T15-I19 HydrophobicContact CG2-CG1 4.46Å; T15-I19 WeakPolarHBondContact O-CB 3.4Å; T15-I19 VanDerWaalsContact O-CG1 3.31Å; T15-I19 WeakPolarHBondContact O-CG1 3.31Å; T15-I19 PolarHBondContact O-N 2.94Å
16I87.3Confident80.9Confident4 Ų468.7 Ų68.72%0.02140%0.397CS..Hα-helixtrans-61.1-48.2178.9-74.5163.1000111.2V2 Q12 W13 S18 I19 A20 P27 L30 R31 V34V2-I16 HydrophobicContact CG1-CG1 4.22Å; Q12-I16 HydrophobicContact CG-CD1 4.22Å; Q12-I16 WeakPolarHBondContact O-CB 3.45Å; Q12-I16 WeakPolarHBondContact O-CD1 3.49Å; Q12-I16 WeakPolarHBondContact O-CG1 3.48Å; Q12-I16 PolarHBondContact O-N 3.09Å; W13-I16 HydrophobicContact CE3-CG2 4.32Å; W13-I16 HydrophobicContact CZ3-CG2 4.29Å; W13-I16 PolarHBondContact O-N 2.85Å; I16-S18 VanDerWaalsContact C-N 3.26Å; I16-S18 PolarHBondContact O-N 3.06Å; I16-I19 PolarHBondContact O-N 2.88Å; I16-A20 WeakPolarHBondContact O-CB 3.44Å; I16-A20 PolarHBondContact O-N 3.33Å; I16-P27 HydrophobicContact CG2-CB 4.05Å; I16-P27 WeakPolarHBondContact CG2-O 3.38Å; I16-L30 HydrophobicContact CG2-CB 4.13Å; I16-L30 HydrophobicContact CG2-CD2 4.25Å; I16-L30 HydrophobicContact CG2-CG 4.36Å; I16-R31 HydrophobicContact CD1-CB 4.03Å; I16-R31 HydrophobicContact CD1-CG 4.03Å; I16-R31 HydrophobicContact CG2-CB 4.43Å; I16-V34 HydrophobicContact CD1-CG2 4.48Å; I16-V34 HydrophobicContact CG1-CG2 4.49Å
17C87.6Confident82.5Confident47 Ų4767.3 Ų67.332%0.31839%0.394SS..Hα-helixtrans-62.3-32.9178.4-760000112.9W13 P21W13-C17 VanDerWaalsContact CE2-SG 3.52Å; W13-C17 WeakPolarHBondContact O-CB 3.48Å; W13-C17 PolarHBondContact O-N 3.2Å; W13-C17 PolarHBondContact O-SG 2.94Å; C17-P21 WeakPolarHBondContact O-CD 3.4Å; C17-P21 WeakPolarHBondContact O-CG 3.46Å
18S86.8Confident84Confident42 Ų4270 Ų7029%0.29438%0.384SS..Hα-helixtrans-78.9-32.6179.5-59.20000112.9A14 T15 I16A14-S18 WeakPolarHBondContact O-CB 3.15Å; A14-S18 PolarHBondContact O-N 3.45Å; A14-S18 PolarHBondContact O-OG 3.3Å; T15-S18 PolarHBondContact O-N 3.45Å; I16-S18 VanDerWaalsContact C-N 3.26Å; I16-S18 PolarHBondContact O-N 3.06Å
19I87.3Confident85.2Confident8 Ų865.2 Ų65.24%0.04137%0.366CS..Hα-helixtrans-88.6-37.1-177.1-65.6176.2000112M1 V2 T15 I16 K22 I23 L30M1-I19 HydrophobicContact CE-CG2 4.29Å; V2-I19 HydrophobicContact CB-CD1 4.46Å; V2-I19 HydrophobicContact CG2-CD1 3.99Å; V2-I19 HydrophobicContact CG2-CG2 4.35Å; T15-I19 HydrophobicContact CG2-CD1 3.65Å; T15-I19 HydrophobicContact CG2-CG1 4.46Å; T15-I19 WeakPolarHBondContact O-CB 3.4Å; T15-I19 VanDerWaalsContact O-CG1 3.31Å; T15-I19 WeakPolarHBondContact O-CG1 3.31Å; T15-I19 PolarHBondContact O-N 2.94Å; I16-I19 PolarHBondContact O-N 2.88Å; I19-K22 WeakPolarHBondContact O-CA 3.46Å; I19-K22 WeakPolarHBondContact O-CB 3.39Å; I19-K22 PolarHBondContact O-N 3.12Å; I19-I23 HydrophobicContact CG2-CD1 3.47Å; I19-I23 VanDerWaalsContact CG2-CD1 3.47Å; I19-I23 HydrophobicContact CG2-CG1 4Å; I19-I23 PolarHBondContact O-N 3.04Å; I19-L30 HydrophobicContact CB-CD2 4.08Å; I19-L30 HydrophobicContact CG2-CD2 3.96Å
20A88.6Confident86.6Confident0 Ų061.9 Ų61.90%035%0.354CS..Hα-helixtrans-49.8-50.1-17900000114.1I16 K22 I23 G24 C25 P27 L30I16-A20 WeakPolarHBondContact O-CB 3.44Å; I16-A20 PolarHBondContact O-N 3.33Å; A20-K22 VanDerWaalsContact C-N 3.28Å; A20-K22 PolarHBondContact O-N 3.22Å; A20-I23 PolarHBondContact O-N 3.47Å; A20-G24 PolarHBondContact O-N 3.07Å; A20-C25 CarbonylContact C-O 3.27Å; A20-C25 VanDerWaalsContact C-O 3.27Å; A20-C25 WeakPolarHBondContact CB-O 3.41Å; A20-C25 PolarHBondContact O-N 3.27Å; A20-C25 VanDerWaalsContact O-O 3.07Å; A20-P27 HydrophobicContact CB-CB 4.26Å; A20-P27 HydrophobicContact CB-CG 4.07Å; A20-L30 HydrophobicContact CB-CB 4.42Å; A20-L30 HydrophobicContact CB-CD2 4.12Å
21P87.9Confident87.4Confident93 Ų9358.2 Ų58.260%0.60433%0.327SS*.Hα-helixtrans-66.3-27.1177.224.1-32.3000113.3C17 I23 G24C17-P21 WeakPolarHBondContact O-CD 3.4Å; C17-P21 WeakPolarHBondContact O-CG 3.46Å; P21-I23 VanDerWaalsContact C-N 3.31Å; P21-I23 PolarHBondContact O-N 3.3Å; P21-G24 PolarHBondContact O-N 3.2Å
22K88.8Confident87.9Confident159 Ų15960.1 Ų60.169%0.69134%0.336SS*.Hα-helixtrans-70.3-28.9177.1-61.9-179.1-177.8179.70112.6I19 A20I19-K22 WeakPolarHBondContact O-CA 3.46Å; I19-K22 WeakPolarHBondContact O-CB 3.39Å; I19-K22 PolarHBondContact O-N 3.12Å; A20-K22 VanDerWaalsContact C-N 3.28Å; A20-K22 PolarHBondContact O-N 3.22Å
23I86.4Confident88.4Confident91 Ų9164.6 Ų64.647%0.46735%0.35SS..Hα-helixtrans-94.6-9.4179-55-179.9000111M1 I19 A20 P21M1-I23 HydrophobicContact CE-CD1 4.17Å; I19-I23 HydrophobicContact CG2-CD1 3.47Å; I19-I23 VanDerWaalsContact CG2-CD1 3.47Å; I19-I23 HydrophobicContact CG2-CG1 4Å; I19-I23 PolarHBondContact O-N 3.04Å; A20-I23 PolarHBondContact O-N 3.47Å; P21-I23 VanDerWaalsContact C-N 3.31Å; P21-I23 PolarHBondContact O-N 3.3Å
24G89.7Confident88.5Confident72 Ų7259.8 Ų59.874%0.74233%0.334SS*.THydrogen-bonded Turntrans76.225.5-177.700000113.5A20 P21A20-G24 PolarHBondContact O-N 3.07Å; P21-G24 PolarHBondContact O-N 3.2Å
25C90.4Very high88.5Confident28 Ų2864.3 Ų64.319%0.18934%0.344CS..SBendtrans-115.1164.4175.4660000111.3A20A20-C25 CarbonylContact C-O 3.27Å; A20-C25 VanDerWaalsContact C-O 3.27Å; A20-C25 WeakPolarHBondContact CB-O 3.41Å; A20-C25 PolarHBondContact O-N 3.27Å; A20-C25 VanDerWaalsContact O-O 3.07Å
26T90.6Very high88.4Confident75 Ų7565.9 Ų65.946%0.4635%0.351SS..  trans-77.2149.8174.475.30000110.7E28 T29 L30T26-E28 PolarHBondContact O-N 2.92Å; T26-T29 WeakPolarHBondContact O-CB 3.4Å; T26-T29 PolarHBondContact O-N 2.98Å; T26-T29 VanDerWaalsContact O-N 3.09Å; T26-T29 PolarHBondContact OG1-N 3.46Å; T26-T29 VanDerWaalsContact OG1-N 3.16Å; T26-T29 PolarHBondContact OG1-OG1 3.24Å; T26-L30 PolarHBondContact O-N 3.44Å; T26-L30 VanDerWaalsContact O-N 3.1Å
27P90.3Very high88.2Confident44 Ų4470.4 Ų70.429%0.28637%0.372SS..Hα-helixtrans-55.5-35.9175.6-22.731.2000112.6W13 I16 A20 L30 R31W13-P27 HydrophobicContact CH2-CB 4Å; W13-P27 HydrophobicContact CZ3-CB 4.37Å; I16-P27 HydrophobicContact CG2-CB 4.05Å; I16-P27 WeakPolarHBondContact CG2-O 3.38Å; A20-P27 HydrophobicContact CB-CB 4.26Å; A20-P27 HydrophobicContact CB-CG 4.07Å; P27-L30 PolarHBondContact O-N 3.46Å; P27-R31 WeakPolarHBondContact O-CB 3.21Å; P27-R31 PolarHBondContact O-N 2.9Å
28E90.9Very high88Confident137 Ų13771 Ų7164%0.6437%0.37SS*.Hα-helixtrans-66-43.8176.1-76-173.582.300112.4T26 L30 R31 V32T26-E28 PolarHBondContact O-N 2.92Å; E28-L30 VanDerWaalsContact C-N 3.32Å; E28-L30 PolarHBondContact O-N 3.11Å; E28-R31 PolarHBondContact O-N 3.47Å; E28-V32 WeakPolarHBondContact O-CG2 3.5Å; E28-V32 PolarHBondContact O-N 2.67Å
29T90.7Very high87.8Confident53 Ų5373 Ų7333%0.32537%0.372SS..Hα-helixtrans-57.7-47.7175.6-52.60000110.8T26 R31 V32 W33T26-T29 WeakPolarHBondContact O-CB 3.4Å; T26-T29 PolarHBondContact O-N 2.98Å; T26-T29 VanDerWaalsContact O-N 3.09Å; T26-T29 PolarHBondContact OG1-N 3.46Å; T26-T29 VanDerWaalsContact OG1-N 3.16Å; T26-T29 PolarHBondContact OG1-OG1 3.24Å; T29-R31 VanDerWaalsContact C-N 3.35Å; T29-R31 PolarHBondContact O-N 3.45Å; T29-V32 PolarHBondContact O-N 3.23Å; T29-W33 HydrophobicContact CG2-CD2 4.39Å; T29-W33 HydrophobicContact CG2-CH2 4.48Å; T29-W33 HydrophobicContact CG2-CZ2 3.9Å; T29-W33 PolarHBondContact O-N 3.43Å; T29-W33 VanDerWaalsContact O-N 3.11Å
30L90.7Very high87.4Confident12 Ų1275.6 Ų75.66%0.06339%0.385CS..Hα-helixtrans-65.4-38.7179.8-172.462.3000111.6V2 I16 I19 A20 T26 P27 E28 V32 W33 V34V2-L30 HydrophobicContact CG2-CD1 4.21Å; V2-L30 HydrophobicContact CG2-CD2 4.08Å; V2-L30 HydrophobicContact CG2-CG 4.35Å; I16-L30 HydrophobicContact CG2-CB 4.13Å; I16-L30 HydrophobicContact CG2-CD2 4.25Å; I16-L30 HydrophobicContact CG2-CG 4.36Å; I19-L30 HydrophobicContact CB-CD2 4.08Å; I19-L30 HydrophobicContact CG2-CD2 3.96Å; A20-L30 HydrophobicContact CB-CB 4.42Å; A20-L30 HydrophobicContact CB-CD2 4.12Å; T26-L30 PolarHBondContact O-N 3.44Å; T26-L30 VanDerWaalsContact O-N 3.1Å; P27-L30 PolarHBondContact O-N 3.46Å; E28-L30 VanDerWaalsContact C-N 3.32Å; E28-L30 PolarHBondContact O-N 3.11Å; L30-V32 VanDerWaalsContact C-N 3.34Å; L30-V32 PolarHBondContact O-N 2.96Å; L30-W33 HydrophobicContact CD1-CE3 4.38Å; L30-W33 PolarHBondContact O-N 3.42Å; L30-V34 VanDerWaalsContact O-CG2 3.31Å; L30-V34 WeakPolarHBondContact O-CG2 3.31Å; L30-V34 PolarHBondContact O-N 3.06Å
31R89.2Confident86.9Confident96 Ų9680.4 Ų80.436%0.36242%0.415SS..Hα-helixtrans-60.5-41.9174.8-168.2-179.1102.4-168.91.7112.4W13 I16 P27 E28 T29 W33 V34 R35W13-R31 HydrophobicContact CZ3-CB 4.24Å; W13-R31 HydrophobicContact CZ3-CG 4.41Å; I16-R31 HydrophobicContact CD1-CB 4.03Å; I16-R31 HydrophobicContact CD1-CG 4.03Å; I16-R31 HydrophobicContact CG2-CB 4.43Å; P27-R31 WeakPolarHBondContact O-CB 3.21Å; P27-R31 PolarHBondContact O-N 2.9Å; E28-R31 PolarHBondContact O-N 3.47Å; T29-R31 VanDerWaalsContact C-N 3.35Å; T29-R31 PolarHBondContact O-N 3.45Å; R31-W33 VanDerWaalsContact C-N 3.32Å; R31-V34 PolarHBondContact O-N 3.38Å; R31-R35 PolarHBondContact O-N 3.35Å
32V89.4Confident85.9Confident94 Ų9479.3 Ų79.357%0.5742%0.42SS*.Hα-helixtrans-62.2-43.6176.9171.20000110.3E28 T29 L30 R35 Q36E28-V32 WeakPolarHBondContact O-CG2 3.5Å; E28-V32 PolarHBondContact O-N 2.67Å; T29-V32 PolarHBondContact O-N 3.23Å; L30-V32 VanDerWaalsContact C-N 3.34Å; L30-V32 PolarHBondContact O-N 2.96Å; V32-R35 PolarHBondContact O-N 3.46Å; V32-Q36 WeakPolarHBondContact O-CB 3.44Å; V32-Q36 PolarHBondContact O-N 3.02Å
33W89.2Confident84.7Confident155 Ų15575 Ų7559%0.58742%0.421SS*.Hα-helixtrans-65.3-42.3177.6-67.3-4.9000112.7T29 L30 R31 Q36 H37T29-W33 HydrophobicContact CG2-CD2 4.39Å; T29-W33 HydrophobicContact CG2-CH2 4.48Å; T29-W33 HydrophobicContact CG2-CZ2 3.9Å; T29-W33 PolarHBondContact O-N 3.43Å; T29-W33 VanDerWaalsContact O-N 3.11Å; L30-W33 HydrophobicContact CD1-CE3 4.38Å; L30-W33 PolarHBondContact O-N 3.42Å; R31-W33 VanDerWaalsContact C-N 3.32Å; W33-Q36 PolarHBondContact O-N 3.17Å; W33-H37 WeakPolarHBondContact O-CB 3.41Å; W33-H37 PolarHBondContact O-N 3.19Å
34V86Confident83.6Confident15 Ų1572.2 Ų72.29%0.09142%0.415CS..Hα-helixtrans-60.6-47.5176.2172.20000110.7V2 I16 L30 R31 Q36 H37 E38V2-V34 HydrophobicContact CB-CG2 4.19Å; V2-V34 HydrophobicContact CG1-CG2 3.9Å; V2-V34 HydrophobicContact CG2-CG2 4.33Å; I16-V34 HydrophobicContact CD1-CG2 4.48Å; I16-V34 HydrophobicContact CG1-CG2 4.49Å; L30-V34 VanDerWaalsContact O-CG2 3.31Å; L30-V34 WeakPolarHBondContact O-CG2 3.31Å; L30-V34 PolarHBondContact O-N 3.06Å; R31-V34 PolarHBondContact O-N 3.38Å; V34-Q36 VanDerWaalsContact C-N 3.31Å; V34-Q36 PolarHBondContact O-N 3.24Å; V34-H37 WeakPolarHBondContact O-CB 3.45Å; V34-H37 PolarHBondContact O-N 3.22Å; V34-E38 WeakPolarHBondContact O-CG 3.43Å; V34-E38 PolarHBondContact O-N 2.83Å
35R85.1Confident82.4Confident126 Ų12676.9 Ų76.948%0.47542%0.423SS..Hα-helixtrans-62.5-37.2176.1-83.2-172.1172.8161.8-1.4113.2R31 V32 R39R31-R35 PolarHBondContact O-N 3.35Å; V32-R35 PolarHBondContact O-N 3.46Å; R35-R39 WeakPolarHBondContact O-CG 3.48Å; R35-R39 PolarHBondContact O-N 3.38Å
36Q83.5Confident81.1Confident32 Ų3279.2 Ų79.215%0.1545%0.451CS..Hα-helixtrans-66.8-42.1175.8-173.257.869.500110.2V32 W33 V34 R39 D40 T50V32-Q36 WeakPolarHBondContact O-CB 3.44Å; V32-Q36 PolarHBondContact O-N 3.02Å; W33-Q36 PolarHBondContact O-N 3.17Å; V34-Q36 VanDerWaalsContact C-N 3.31Å; V34-Q36 PolarHBondContact O-N 3.24Å; Q36-R39 WeakPolarHBondContact O-CB 3.41Å; Q36-R39 PolarHBondContact O-N 3.38Å; Q36-D40 PolarHBondContact NE2-OD2 2.96Å; Q36-D40 PolarHBondContact O-N 2.83Å; Q36-T50 PolarHBondContact NE2-OG1 2.92Å
37H83.8Confident80.1Confident99 Ų9977.3 Ų77.346%0.45845%0.446SS..Hα-helixtrans-61.3-43.9173.8-174.8-77.9000112.1W33 V34 R39 D40 T41W33-H37 WeakPolarHBondContact O-CB 3.41Å; W33-H37 PolarHBondContact O-N 3.19Å; V34-H37 WeakPolarHBondContact O-CB 3.45Å; V34-H37 PolarHBondContact O-N 3.22Å; H37-R39 VanDerWaalsContact C-N 3.29Å; H37-R39 PolarHBondContact O-N 3.45Å; H37-D40 PolarHBondContact O-N 3.43Å; H37-T41 PolarHBondContact CE1-OG1 3.39Å; H37-T41 PolarHBondContact ND1-OG1 2.71Å; H37-T41 WeakPolarHBondContact O-CB 3.39Å; H37-T41 PolarHBondContact O-N 3.18Å; H37-T41 PolarHBondContact O-OG1 2.65Å
38E82.5Confident79.3Confident59 Ų5978.9 Ų78.928%0.27645%0.452SS..Hα-helixtrans-58.6-40.8174.6-74177.6153.500111.7Q12 V34 T41 G42 G43 G44Q12-E38 PolarHBondContact NE2-OE1 3.07Å; V34-E38 WeakPolarHBondContact O-CG 3.43Å; V34-E38 PolarHBondContact O-N 2.83Å; E38-T41 PolarHBondContact O-N 3.23Å; E38-G42 PolarHBondContact O-N 2.87Å; E38-G43 WeakPolarHBondContact O-CA 3.38Å; E38-G43 PolarHBondContact O-N 2.86Å; E38-G44 PolarHBondContact O-N 3.2Å
39R82.3Confident78.9Confident86 Ų8673.8 Ų73.833%0.32543%0.431SS..Hα-helixtrans-63.1-49.1172.1-70.6171.1-173.4142.8-0.3112R35 Q36 H37 T41 G42R35-R39 WeakPolarHBondContact O-CG 3.48Å; R35-R39 PolarHBondContact O-N 3.38Å; Q36-R39 WeakPolarHBondContact O-CB 3.41Å; Q36-R39 PolarHBondContact O-N 3.38Å; H37-R39 VanDerWaalsContact C-N 3.29Å; H37-R39 PolarHBondContact O-N 3.45Å; R39-T41 PolarHBondContact O-N 2.84Å; R39-G42 PolarHBondContact O-N 3.28Å
40D78.7Confident78.3Confident62 Ų6274.5 Ų74.533%0.33244%0.435SS..Hα-helixtrans-61.9-27.7179.5-79.7-68.7000112.8Q36 H37 T49 T50Q36-D40 PolarHBondContact NE2-OD2 2.96Å; Q36-D40 PolarHBondContact O-N 2.83Å; H37-D40 PolarHBondContact O-N 3.43Å; D40-T49 WeakPolarHBondContact OD1-CB 3.32Å; D40-T50 VanDerWaalsContact OD1-CB 3.32Å; D40-T50 WeakPolarHBondContact OD1-CB 3.5Å; D40-T50 PolarHBondContact OD1-N 3.24Å; D40-T50 PolarHBondContact OD1-OG1 3.45Å; D40-T50 PolarHBondContact OD2-OG1 2.74Å
41T78.3Confident77.7Confident100 Ų10077 Ų7761%0.61346%0.457SS*.THydrogen-bonded Turntrans-924.1177.6-29.10000113.1H37 E38 R39H37-T41 PolarHBondContact CE1-OG1 3.39Å; H37-T41 PolarHBondContact ND1-OG1 2.71Å; H37-T41 WeakPolarHBondContact O-CB 3.39Å; H37-T41 PolarHBondContact O-N 3.18Å; H37-T41 PolarHBondContact O-OG1 2.65Å; E38-T41 PolarHBondContact O-N 3.23Å; R39-T41 PolarHBondContact O-N 2.84Å
42G68Low77.3Confident70 Ų7076.8 Ų76.872%0.72246%0.46SS*.THydrogen-bonded Turntrans89.99.8173.800000116.1E38 R39E38-G42 PolarHBondContact O-N 2.87Å; R39-G42 PolarHBondContact O-N 3.28Å
43G63.6Low77Confident69 Ų6977.5 Ų77.571%0.71145%0.453SS*.  trans-103.24.8-178.300000115.9E38E38-G43 WeakPolarHBondContact O-CA 3.38Å; E38-G43 PolarHBondContact O-N 2.86Å
44G62.4Low76.8Confident32 Ų3274.8 Ų74.833%0.3345%0.447SS..SBendtrans-93165.2-175.200000115.5E38 G46E38-G44 PolarHBondContact O-N 3.2Å; G44-G46 PolarHBondContact O-N 2.85Å
45D63.9Low76.9Confident171 Ų17182.7 Ų82.791%0.91448%0.475SS*.SBendtrans-57.832176.9-85.7-95.1000117G47D45-G47 VanDerWaalsContact C-N 3.29Å; D45-G47 PolarHBondContact O-N 3.33Å
46G64.3Low77.1Confident76 Ų7680.6 Ų80.678%0.78447%0.472SS*.SBendtrans73.815.6178.700000114.8G44G44-G46 PolarHBondContact O-N 2.85Å
47G69.3Low77.4Confident35 Ų3584.8 Ų84.836%0.36149%0.49SS..PPolyproline II helixtrans-75.8143.7170.100000111.7D45 T49D45-G47 VanDerWaalsContact C-N 3.29Å; D45-G47 PolarHBondContact O-N 3.33Å; G47-T49 PolarHBondContact O-N 2.74Å
48L74.3Confident77.8Confident78 Ų7885.3 Ų85.341%0.40849%0.493SS..PPolyproline II helixtrans-52.6130.6179-67.1163.3000111.7E52 L56L48-E52 HydrophobicContact CB-CB 4.21Å; L48-E52 HydrophobicContact CD2-CB 3.79Å; L48-E52 HydrophobicContact CD2-CG 4.46Å; L48-L56 HydrophobicContact CD1-CD1 4.35Å
49T81Confident78.3Confident30 Ų3087.9 Ų87.918%0.18451%0.508CS..PPolyproline II helixtrans-60160.8168.160.70000110.5D40 G47 A51 E52 R53D40-T49 WeakPolarHBondContact OD1-CB 3.32Å; G47-T49 PolarHBondContact O-N 2.74Å; T49-A51 PolarHBondContact O-N 3.32Å; T49-E52 WeakPolarHBondContact CB-OE2 3.39Å; T49-E52 WeakPolarHBondContact CG2-OE2 3.15Å; T49-E52 PolarHBondContact N-OE2 3.36Å; T49-E52 PolarHBondContact O-N 3.03Å; T49-E52 WeakPolarHBondContact OG1-CB 3.34Å; T49-E52 WeakPolarHBondContact OG1-CG 3.49Å; T49-E52 PolarHBondContact OG1-N 3.23Å; T49-E52 VanDerWaalsContact OG1-N 3.09Å; T49-E52 PolarHBondContact OG1-OE2 3.36Å; T49-R53 PolarHBondContact O-N 2.88Å
50T78.9Confident78.8Confident68 Ų6889 Ų8942%0.41752%0.517SS..Hα-helixtrans-59.9-38.8176-57.90000110.4Q36 D40 R53 Q54Q36-T50 PolarHBondContact NE2-OG1 2.92Å; D40-T50 VanDerWaalsContact OD1-CB 3.32Å; D40-T50 WeakPolarHBondContact OD1-CB 3.5Å; D40-T50 PolarHBondContact OD1-N 3.24Å; D40-T50 PolarHBondContact OD1-OG1 3.45Å; D40-T50 PolarHBondContact OD2-OG1 2.74Å; T50-R53 PolarHBondContact O-N 3.06Å; T50-Q54 WeakPolarHBondContact O-CB 3.37Å; T50-Q54 PolarHBondContact O-N 2.88Å
51A78.9Confident79.4Confident64 Ų6493.5 Ų93.553%0.52953%0.529SS..Hα-helixtrans-64.2-44175.200000112.5T49 Q54 R55T49-A51 PolarHBondContact O-N 3.32Å; A51-Q54 PolarHBondContact O-N 2.93Å; A51-R55 PolarHBondContact O-N 3.2Å
52E80.7Confident80.1Confident92 Ų9294.5 Ų94.543%0.4353%0.527SS..Hα-helixtrans-64.7-41.9176.3-76171105.100112.1L48 T49 Q54 R55 L56L48-E52 HydrophobicContact CB-CB 4.21Å; L48-E52 HydrophobicContact CD2-CB 3.79Å; L48-E52 HydrophobicContact CD2-CG 4.46Å; T49-E52 WeakPolarHBondContact CB-OE2 3.39Å; T49-E52 WeakPolarHBondContact CG2-OE2 3.15Å; T49-E52 PolarHBondContact N-OE2 3.36Å; T49-E52 PolarHBondContact O-N 3.03Å; T49-E52 WeakPolarHBondContact OG1-CB 3.34Å; T49-E52 WeakPolarHBondContact OG1-CG 3.49Å; T49-E52 PolarHBondContact OG1-N 3.23Å; T49-E52 VanDerWaalsContact OG1-N 3.09Å; T49-E52 PolarHBondContact OG1-OE2 3.36Å; E52-Q54 PolarHBondContact O-N 3.09Å; E52-R55 PolarHBondContact O-N 3.36Å; E52-L56 WeakPolarHBondContact O-CB 3.42Å; E52-L56 PolarHBondContact O-N 3.33Å
53R81.8Confident81.3Confident108 Ų10895.1 Ų95.141%0.40851%0.514SS..Hα-helixtrans-61.4-37.8176.7-168.9-178.1-63.5135.15.6111.5T49 T50 K57T49-R53 PolarHBondContact O-N 2.88Å; T50-R53 PolarHBondContact O-N 3.06Å; R53-K57 WeakPolarHBondContact O-CG 3.44Å; R53-K57 PolarHBondContact O-N 3.27Å
54Q84.8Confident82.7Confident99 Ų9999.4 Ų99.446%0.46351%0.508SS..Hα-helixtrans-69-47.4177.6-177.15726.800111.3T50 A51 E52 L56 K57 E58T50-Q54 WeakPolarHBondContact O-CB 3.37Å; T50-Q54 PolarHBondContact O-N 2.88Å; A51-Q54 PolarHBondContact O-N 2.93Å; E52-Q54 PolarHBondContact O-N 3.09Å; Q54-L56 VanDerWaalsContact C-N 3.29Å; Q54-L56 PolarHBondContact O-N 2.88Å; Q54-K57 PolarHBondContact O-N 3.37Å; Q54-E58 WeakPolarHBondContact CG-OE2 3.43Å; Q54-E58 PolarHBondContact NE2-OE2 3.34Å; Q54-E58 PolarHBondContact O-N 3.37Å
55R88.5Confident84.2Confident180 Ų180102.8 Ų102.868%0.67952%0.516SS*.Hα-helixtrans-58-41.6173.4-81.7-171.7177.4175.21112.3A51 E52 K57 E58 L59A51-R55 PolarHBondContact O-N 3.2Å; E52-R55 PolarHBondContact O-N 3.36Å; R55-K57 VanDerWaalsContact C-N 3.31Å; R55-K57 PolarHBondContact O-N 3.04Å; R55-E58 PolarHBondContact O-N 3.15Å; R55-L59 HydrophobicContact CB-CD1 4.39Å; R55-L59 WeakPolarHBondContact O-CD1 3.3Å; R55-L59 PolarHBondContact O-N 3.48Å
56L90.5Very high85.7Confident82 Ų8299 Ų9943%0.42950%0.495SS..Hα-helixtrans-60.7-43.3179.9-165.9142000110.9L48 E52 Q54 E58 L59 E60L48-L56 HydrophobicContact CD1-CD1 4.35Å; E52-L56 WeakPolarHBondContact O-CB 3.42Å; E52-L56 PolarHBondContact O-N 3.33Å; Q54-L56 VanDerWaalsContact C-N 3.29Å; Q54-L56 PolarHBondContact O-N 2.88Å; L56-E58 PolarHBondContact O-N 3.02Å; L56-L59 PolarHBondContact O-N 3.1Å; L56-E60 HydrophobicContact CD2-CG 4.19Å; L56-E60 WeakPolarHBondContact CD2-OE2 3.34Å; L56-E60 WeakPolarHBondContact O-CB 3.48Å; L56-E60 VanDerWaalsContact O-CG 3.3Å; L56-E60 WeakPolarHBondContact O-CG 3.41Å; L56-E60 PolarHBondContact O-N 2.86Å
57K90Very high87.1Confident120 Ų120103.9 Ų103.952%0.52249%0.489SS..Hα-helixtrans-63.3-40.4174.4-72.7179.2179.1-179.50113.1R53 Q54 R55 E60 R61R53-K57 WeakPolarHBondContact O-CG 3.44Å; R53-K57 PolarHBondContact O-N 3.27Å; Q54-K57 PolarHBondContact O-N 3.37Å; R55-K57 VanDerWaalsContact C-N 3.31Å; R55-K57 PolarHBondContact O-N 3.04Å; K57-E60 PolarHBondContact O-N 3.45Å; K57-R61 WeakPolarHBondContact O-CB 3.33Å; K57-R61 PolarHBondContact O-N 3.05Å
58E91.7Very high88.2Confident110 Ų110111.2 Ų111.251%0.51451%0.506SS..Hα-helixtrans-65-46.7176.7-79.4167.756.800111.2Q54 R55 L56 E60 R61 E62Q54-E58 WeakPolarHBondContact CG-OE2 3.43Å; Q54-E58 PolarHBondContact NE2-OE2 3.34Å; Q54-E58 PolarHBondContact O-N 3.37Å; R55-E58 PolarHBondContact O-N 3.15Å; L56-E58 PolarHBondContact O-N 3.02Å; E58-E60 PolarHBondContact O-N 3.48Å; E58-R61 WeakPolarHBondContact O-CB 3.32Å; E58-R61 PolarHBondContact O-N 3.41Å; E58-R61 VanDerWaalsContact O-N 3.15Å; E58-E62 PolarHBondContact O-N 3.32Å
59L92.7Very high89.1Confident113 Ų113110.5 Ų110.559%0.59251%0.508SS*.Hα-helixtrans-61.1-42.5174.4-92.494.3000111.9R55 L56 R61 E62 N63R55-L59 HydrophobicContact CB-CD1 4.39Å; R55-L59 WeakPolarHBondContact O-CD1 3.3Å; R55-L59 PolarHBondContact O-N 3.48Å; L56-L59 PolarHBondContact O-N 3.1Å; L59-R61 PolarHBondContact O-N 3.21Å; L59-E62 PolarHBondContact O-N 2.74Å; L59-N63 VanDerWaalsContact O-CB 3.3Å; L59-N63 WeakPolarHBondContact O-CB 3.3Å; L59-N63 PolarHBondContact O-N 3.04Å
60E92.8Very high89.7Confident109 Ų109112.7 Ų112.751%0.50952%0.518SS..Hα-helixtrans-63.4-32.6176.7-78.3-172.1107.600112.5L56 K57 E58 R64L56-E60 HydrophobicContact CD2-CG 4.19Å; L56-E60 WeakPolarHBondContact CD2-OE2 3.34Å; L56-E60 WeakPolarHBondContact O-CB 3.48Å; L56-E60 VanDerWaalsContact O-CG 3.3Å; L56-E60 WeakPolarHBondContact O-CG 3.41Å; L56-E60 PolarHBondContact O-N 2.86Å; K57-E60 PolarHBondContact O-N 3.45Å; E58-E60 PolarHBondContact O-N 3.48Å; E60-R64 WeakPolarHBondContact O-CG 3.42Å; E60-R64 PolarHBondContact O-N 3.18Å; E60-R64 PolarHBondContact O-NE 2.93Å
61R92Very high90.5Very high158 Ų158113.3 Ų113.360%0.59652%0.519SS*.Hα-helixtrans-70.7-51.1173.7-176-175.9170.7173.54.4110.5K57 E58 L59 N63 R64 E65K57-R61 WeakPolarHBondContact O-CB 3.33Å; K57-R61 PolarHBondContact O-N 3.05Å; E58-R61 WeakPolarHBondContact O-CB 3.32Å; E58-R61 PolarHBondContact O-N 3.41Å; E58-R61 VanDerWaalsContact O-N 3.15Å; L59-R61 PolarHBondContact O-N 3.21Å; R61-N63 VanDerWaalsContact C-N 3.31Å; R61-N63 PolarHBondContact O-N 3.41Å; R61-R64 WeakPolarHBondContact O-CB 3.38Å; R61-R64 PolarHBondContact O-N 2.85Å; R61-R64 VanDerWaalsContact O-N 3.1Å; R61-E65 WeakPolarHBondContact CG-OE2 3.15Å; R61-E65 IonicContact CZ-OE2 3.88Å; R61-E65 IonicContact NE-OE2 3.61Å; R61-E65 PolarHBondContact NE-OE2 2.96Å; R61-E65 IonicContact NH2-OE2 3.94Å; R61-E65 PolarHBondContact O-N 3.35Å
62E92.4Very high91.3Very high121 Ų121115.4 Ų115.457%0.56552%0.521SS*.Hα-helixtrans-59-43179.5-172.5176.184.200111.4E58 L59 R64 E65 L66E58-E62 PolarHBondContact O-N 3.32Å; L59-E62 PolarHBondContact O-N 2.74Å; E62-R64 VanDerWaalsContact C-N 3.28Å; E62-R64 PolarHBondContact O-N 2.81Å; E62-E65 PolarHBondContact O-N 3.27Å; E62-E65 VanDerWaalsContact O-N 3.12Å; E62-L66 HydrophobicContact CG-CD1 3.96Å; E62-L66 HydrophobicContact CG-CG 4.23Å; E62-L66 WeakPolarHBondContact O-CB 3.36Å; E62-L66 WeakPolarHBondContact O-CG 3.43Å; E62-L66 PolarHBondContact O-N 2.82Å
63N93.9Very high91.9Very high83 Ų83116.3 Ų116.344%0.44453%0.527SS..Hα-helixtrans-62-36.9178.3-149.8-81.8000111.8L59 R61 R67L59-N63 VanDerWaalsContact O-CB 3.3Å; L59-N63 WeakPolarHBondContact O-CB 3.3Å; L59-N63 PolarHBondContact O-N 3.04Å; R61-N63 VanDerWaalsContact C-N 3.31Å; R61-N63 PolarHBondContact O-N 3.41Å; N63-R67 WeakPolarHBondContact O-CB 3.49Å; N63-R67 WeakPolarHBondContact O-CG 3.49Å; N63-R67 PolarHBondContact O-N 2.83Å; N63-R67 PolarHBondContact OD1-NE 2.95Å
64R92.8Very high92.5Very high159 Ų159119.5 Ų119.560%0.654%0.54SS*.Hα-helixtrans-66.5-42.2174.6-78.7-175.7-72.4166.7-4.7111.9E60 R61 E62 R67 R68E60-R64 WeakPolarHBondContact O-CG 3.42Å; E60-R64 PolarHBondContact O-N 3.18Å; E60-R64 PolarHBondContact O-NE 2.93Å; R61-R64 WeakPolarHBondContact O-CB 3.38Å; R61-R64 PolarHBondContact O-N 2.85Å; R61-R64 VanDerWaalsContact O-N 3.1Å; E62-R64 VanDerWaalsContact C-N 3.28Å; E62-R64 PolarHBondContact O-N 2.81Å; R64-R67 PolarHBondContact O-N 3.15Å; R64-R68 WeakPolarHBondContact O-CG 3.33Å; R64-R68 PolarHBondContact O-N 3.35Å; R64-R68 VanDerWaalsContact O-N 3.12Å
65E93.5Very high92.9Very high103 Ų103120.6 Ų120.648%0.48155%0.545SS..Hα-helixtrans-66.2-46.5177.6-65.6-17273.500110.9R61 E62 R67 R68 S69R61-E65 WeakPolarHBondContact CG-OE2 3.15Å; R61-E65 IonicContact CZ-OE2 3.88Å; R61-E65 IonicContact NE-OE2 3.61Å; R61-E65 PolarHBondContact NE-OE2 2.96Å; R61-E65 IonicContact NH2-OE2 3.94Å; R61-E65 PolarHBondContact O-N 3.35Å; E62-E65 PolarHBondContact O-N 3.27Å; E62-E65 VanDerWaalsContact O-N 3.12Å; E65-R67 VanDerWaalsContact C-N 3.31Å; E65-R67 PolarHBondContact O-N 3.12Å; E65-R68 PolarHBondContact O-N 3.12Å; E65-R68 VanDerWaalsContact O-N 3.15Å; E65-S69 PolarHBondContact O-N 3.47Å; E65-S69 PolarHBondContact O-OG 3.31Å
66L94.9Very high93.1Very high90 Ų90113.7 Ų113.747%0.47153%0.526SS..Hα-helixtrans-60.3-38.2175.8-72.2174.5000113E62 N70E62-L66 HydrophobicContact CG-CD1 3.96Å; E62-L66 HydrophobicContact CG-CG 4.23Å; E62-L66 WeakPolarHBondContact O-CB 3.36Å; E62-L66 WeakPolarHBondContact O-CG 3.43Å; E62-L66 PolarHBondContact O-N 2.82Å; L66-N70 WeakPolarHBondContact O-CB 3.34Å; L66-N70 PolarHBondContact O-N 3.45Å; L66-N70 PolarHBondContact O-ND2 2.75Å; L66-N70 VanDerWaalsContact O-ND2 3.08Å
67R93.6Very high93.2Very high179 Ų179113.6 Ų113.668%0.67553%0.532SS*.Hα-helixtrans-64.9-42.4175.1-79.7173.1-179.8-107.51.6111.8N63 R64 E65 N70 D71N63-R67 WeakPolarHBondContact O-CB 3.49Å; N63-R67 WeakPolarHBondContact O-CG 3.49Å; N63-R67 PolarHBondContact O-N 2.83Å; N63-R67 PolarHBondContact OD1-NE 2.95Å; R64-R67 PolarHBondContact O-N 3.15Å; E65-R67 VanDerWaalsContact C-N 3.31Å; E65-R67 PolarHBondContact O-N 3.12Å; R67-N70 PolarHBondContact O-N 3.21Å; R67-D71 WeakPolarHBondContact O-CB 3.39Å; R67-D71 PolarHBondContact O-N 2.98Å
68R93.1Very high93.3Very high189 Ų189110.9 Ų110.971%0.71353%0.532SS*.Hα-helixtrans-63.5-46.1175.6-72.8179.7-179.1-163.7-0.2111.5R64 E65 N70 D71 I72R64-R68 WeakPolarHBondContact O-CG 3.33Å; R64-R68 PolarHBondContact O-N 3.35Å; R64-R68 VanDerWaalsContact O-N 3.12Å; E65-R68 PolarHBondContact O-N 3.12Å; E65-R68 VanDerWaalsContact O-N 3.15Å; R68-N70 PolarHBondContact O-N 3.36Å; R68-D71 WeakPolarHBondContact O-CB 3.32Å; R68-D71 PolarHBondContact O-N 2.94Å; R68-I72 WeakPolarHBondContact O-CG1 3.37Å; R68-I72 PolarHBondContact O-N 3.45Å
69S93.2Very high93.3Very high63 Ų63113.6 Ų113.644%0.44154%0.539SS..Hα-helixtrans-61.9-42.6177.3-62.40000112E65 D71 I72 L73E65-S69 PolarHBondContact O-N 3.47Å; E65-S69 PolarHBondContact O-OG 3.31Å; S69-D71 VanDerWaalsContact C-N 3.32Å; S69-D71 PolarHBondContact O-N 3.47Å; S69-I72 PolarHBondContact O-N 2.92Å; S69-L73 WeakPolarHBondContact O-CG 3.19Å; S69-L73 PolarHBondContact O-N 3.03Å
70N94Very high93.2Very high76 Ų76114.4 Ų114.441%0.40654%0.538SS..Hα-helixtrans-62.7-38.4175.1-95.4-76.6000112.7L66 R67 R68 L73 R74L66-N70 WeakPolarHBondContact O-CB 3.34Å; L66-N70 PolarHBondContact O-N 3.45Å; L66-N70 PolarHBondContact O-ND2 2.75Å; L66-N70 VanDerWaalsContact O-ND2 3.08Å; R67-N70 PolarHBondContact O-N 3.21Å; R68-N70 PolarHBondContact O-N 3.36Å; N70-L73 PolarHBondContact O-N 3.32Å; N70-R74 WeakPolarHBondContact O-CB 3.37Å; N70-R74 WeakPolarHBondContact O-CG 3.46Å; N70-R74 PolarHBondContact O-N 3.28Å
71D95.4Very high93.1Very high81 Ų81112 Ų11243%0.43354%0.537SS..Hα-helixtrans-63.4-46.8176.8-169.7-103.3000111.2R67 R68 S69 L73 R74 Q75R67-D71 WeakPolarHBondContact O-CB 3.39Å; R67-D71 PolarHBondContact O-N 2.98Å; R68-D71 WeakPolarHBondContact O-CB 3.32Å; R68-D71 PolarHBondContact O-N 2.94Å; S69-D71 VanDerWaalsContact C-N 3.32Å; S69-D71 PolarHBondContact O-N 3.47Å; D71-L73 VanDerWaalsContact C-N 3.34Å; D71-L73 PolarHBondContact O-N 2.84Å; D71-R74 PolarHBondContact O-N 2.92Å; D71-Q75 WeakPolarHBondContact O-CG 3.36Å; D71-Q75 PolarHBondContact O-N 2.83Å; D71-Q75 PolarHBondContact OD1-NE2 2.91Å
72I94.7Very high92.9Very high109 Ų109112.4 Ų112.456%0.55954%0.543SS*.Hα-helixtrans-58.5-46.6175.3-66165.9000110.8R68 S69 R74 Q75 A76R68-I72 WeakPolarHBondContact O-CG1 3.37Å; R68-I72 PolarHBondContact O-N 3.45Å; S69-I72 PolarHBondContact O-N 2.92Å; I72-R74 VanDerWaalsContact C-N 3.34Å; I72-R74 PolarHBondContact O-N 3.08Å; I72-Q75 PolarHBondContact O-N 3.07Å; I72-A76 WeakPolarHBondContact O-CB 3.45Å; I72-A76 PolarHBondContact O-N 3.41Å
73L94.3Very high92.6Very high110 Ų110108.6 Ų108.658%0.57653%0.532SS*.Hα-helixtrans-62.4-41.9178.9-72.1172.8000111.6S69 N70 D71 A76 S77S69-L73 WeakPolarHBondContact O-CG 3.19Å; S69-L73 PolarHBondContact O-N 3.03Å; N70-L73 PolarHBondContact O-N 3.32Å; D71-L73 VanDerWaalsContact C-N 3.34Å; D71-L73 PolarHBondContact O-N 2.84Å; L73-A76 PolarHBondContact O-N 3.43Å; L73-S77 WeakPolarHBondContact O-CB 3.37Å; L73-S77 PolarHBondContact O-N 3.33Å; L73-S77 PolarHBondContact O-OG 2.9Å; L73-S77 VanDerWaalsContact O-OG 3.07Å
74R93.2Very high92.1Very high175 Ų175111.2 Ų111.266%0.6654%0.542SS*.Hα-helixtrans-62.3-43.6175.3-78.2-179.5177.6131.31.2112.1N70 D71 I72 S77 A78N70-R74 WeakPolarHBondContact O-CB 3.37Å; N70-R74 WeakPolarHBondContact O-CG 3.46Å; N70-R74 PolarHBondContact O-N 3.28Å; D71-R74 PolarHBondContact O-N 2.92Å; I72-R74 VanDerWaalsContact C-N 3.34Å; I72-R74 PolarHBondContact O-N 3.08Å; R74-S77 PolarHBondContact O-N 3.48Å; R74-A78 WeakPolarHBondContact O-CB 3.32Å; R74-A78 PolarHBondContact O-N 2.96Å
75Q93.7Very high91.3Very high123 Ų123110.1 Ų110.158%0.57554%0.541SS*.Hα-helixtrans-63-43.4176-69.3-176.124.800111.4D71 I72 A78 Y79D71-Q75 WeakPolarHBondContact O-CG 3.36Å; D71-Q75 PolarHBondContact O-N 2.83Å; D71-Q75 PolarHBondContact OD1-NE2 2.91Å; I72-Q75 PolarHBondContact O-N 3.07Å; Q75-A78 PolarHBondContact O-N 3.46Å; Q75-Y79 WeakPolarHBondContact O-CB 3.43Å; Q75-Y79 PolarHBondContact O-N 3.21Å
76A93.1Very high90.7Very high35 Ų35109.2 Ų109.229%0.28954%0.54SS..Hα-helixtrans-62.1-48.3176.400000111.3I72 L73 A78 Y79 F80I72-A76 WeakPolarHBondContact O-CB 3.45Å; I72-A76 PolarHBondContact O-N 3.41Å; L73-A76 PolarHBondContact O-N 3.43Å; A76-A78 VanDerWaalsContact C-N 3.31Å; A76-A78 PolarHBondContact O-N 3.29Å; A76-Y79 WeakPolarHBondContact O-CB 3.01Å; A76-Y79 PolarHBondContact O-N 3.07Å; A76-Y79 VanDerWaalsContact O-N 3.15Å; A76-F80 HydrophobicContact CB-CD2 4.42Å; A76-F80 HydrophobicContact CB-CE2 4.21Å; A76-F80 WeakPolarHBondContact O-CD2 3.39Å; A76-F80 PolarHBondContact O-N 2.93Å
77S91.6Very high89.9Confident79 Ų79114.8 Ų114.855%0.55256%0.555SS**Hα-helixtrans-58.3-41.7175.7-64.50000112.1L73 R74 F80 A81L73-S77 WeakPolarHBondContact O-CB 3.37Å; L73-S77 PolarHBondContact O-N 3.33Å; L73-S77 PolarHBondContact O-OG 2.9Å; L73-S77 VanDerWaalsContact O-OG 3.07Å; R74-S77 PolarHBondContact O-N 3.48Å; S77-F80 PolarHBondContact O-N 3.45Å; S77-A81 VanDerWaalsContact O-CB 3.32Å; S77-A81 WeakPolarHBondContact O-CB 3.47Å; S77-A81 PolarHBondContact O-N 2.89Å
78A92.6Very high89Confident63 Ų63112.4 Ų112.452%0.52156%0.555SS.*Hα-helixtrans-64.9-40.5175.800000112.3R74 Q75 A76 K82R74-A78 WeakPolarHBondContact O-CB 3.32Å; R74-A78 PolarHBondContact O-N 2.96Å; Q75-A78 PolarHBondContact O-N 3.46Å; A76-A78 VanDerWaalsContact C-N 3.31Å; A76-A78 PolarHBondContact O-N 3.29Å; A78-K82 WeakPolarHBondContact O-CB 3.5Å; A78-K82 PolarHBondContact O-N 3.15Å; A78-K82 VanDerWaalsContact O-N 3.07Å
79Y92Very high87.7Confident167 Ų167113.3 Ų113.366%0.65556%0.558SS**Hα-helixtrans-63.2-47.5175.9-178.2-93.4000111.8Q75 A76 K82 A83Q75-Y79 WeakPolarHBondContact O-CB 3.43Å; Q75-Y79 PolarHBondContact O-N 3.21Å; A76-Y79 WeakPolarHBondContact O-CB 3.01Å; A76-Y79 PolarHBondContact O-N 3.07Å; A76-Y79 VanDerWaalsContact O-N 3.15Å; Y79-K82 PolarHBondContact O-N 3.37Å; Y79-A83 PolarHBondContact O-N 2.94Å
80F91.1Very high86.4Confident131 Ų131118.1 Ų118.158%0.57557%0.571SS**Hα-helixtrans-63.8-44.2178.2-72-60.2000111.9A76 S77 K82 A83 E84A76-F80 HydrophobicContact CB-CD2 4.42Å; A76-F80 HydrophobicContact CB-CE2 4.21Å; A76-F80 WeakPolarHBondContact O-CD2 3.39Å; A76-F80 PolarHBondContact O-N 2.93Å; S77-F80 PolarHBondContact O-N 3.45Å; F80-K82 VanDerWaalsContact C-N 3.28Å; F80-K82 PolarHBondContact O-N 3.46Å; F80-A83 PolarHBondContact O-N 3.45Å; F80-A83 VanDerWaalsContact O-N 3.13Å; F80-E84 PolarHBondContact O-N 3.34Å
81A90.3Very high84.5Confident58 Ų58126 Ų12648%0.47960%0.602SS.*Hα-helixtrans-57.9-41.317600000111.9S77 F85S77-A81 VanDerWaalsContact O-CB 3.32Å; S77-A81 WeakPolarHBondContact O-CB 3.47Å; S77-A81 PolarHBondContact O-N 2.89Å; A81-F85 WeakPolarHBondContact O-CB 3.49Å; A81-F85 PolarHBondContact O-N 2.78Å; A81-F85 VanDerWaalsContact O-N 3.08Å
82K87.2Confident84Confident166 Ų166128.2 Ų128.272%0.72261%0.61SS**Hα-helixtrans-66.2-41.7175.8-173.4175.2-178.81780112.4A78 Y79 F80 F85 D86A78-K82 WeakPolarHBondContact O-CB 3.5Å; A78-K82 PolarHBondContact O-N 3.15Å; A78-K82 VanDerWaalsContact O-N 3.07Å; Y79-K82 PolarHBondContact O-N 3.37Å; F80-K82 VanDerWaalsContact C-N 3.28Å; F80-K82 PolarHBondContact O-N 3.46Å; K82-F85 PolarHBondContact O-N 3.03Å; K82-D86 PolarHBondContact O-N 2.89Å
83A86.9Confident83.4Confident42 Ų42129.2 Ų129.235%0.34761%0.613SS.*Hα-helixtrans-66.9-38.3179.100000112.5Y79 F80 D86 R87Y79-A83 PolarHBondContact O-N 2.94Å; F80-A83 PolarHBondContact O-N 3.45Å; F80-A83 VanDerWaalsContact O-N 3.13Å; A83-D86 PolarHBondContact O-N 3.13Å; A83-R87 PolarHBondContact O-N 3.16Å; A83-R87 VanDerWaalsContact O-N 3.16Å
84E82.8Confident82.8Confident137 Ų137130.3 Ų130.364%0.6462%0.615SS**Hα-helixtrans-64.5-42.1172.9-72.6-162.499.700111.4F80 D86 R87 L88F80-E84 PolarHBondContact O-N 3.34Å; E84-D86 PolarHBondContact O-N 3.32Å; E84-R87 PolarHBondContact O-N 3.08Å; E84-L88 WeakPolarHBondContact O-CG 3.43Å; E84-L88 PolarHBondContact O-N 3.19Å; E84-L88 VanDerWaalsContact O-N 3.09Å
85F77Confident82.2Confident136 Ų136127.6 Ų127.660%0.59661%0.612SS**Hα-helixtrans-61.4-42176.7-145.6-86.9000112.3A81 K82 R87 L88 W89A81-F85 WeakPolarHBondContact O-CB 3.49Å; A81-F85 PolarHBondContact O-N 2.78Å; A81-F85 VanDerWaalsContact O-N 3.08Å; K82-F85 PolarHBondContact O-N 3.03Å; F85-R87 PolarHBondContact O-N 3.41Å; F85-L88 PolarHBondContact O-N 3.35Å; F85-W89 AromaticContact CE1-CD1 3.71Å; F85-W89 AromaticContact CE1-NE1 3.87Å; F85-W89 PolarHBondContact O-N 3.09Å
86D79.2Confident81.5Confident84 Ų84127.9 Ų127.945%0.44961%0.614SS.*Hα-helixtrans-64.5-37.9177.1-171.685.9000112.4K82 A83 E84 K90K82-D86 PolarHBondContact O-N 2.89Å; A83-D86 PolarHBondContact O-N 3.13Å; E84-D86 PolarHBondContact O-N 3.32Å; D86-K90 PolarHBondContact O-N 3.49Å; D86-K90 IonicContact OD1-NZ 2.78Å; D86-K90 IonicContact OD2-NZ 3.04Å; D86-K90 PolarHBondContact OD2-NZ 3.27Å
87R78.1Confident80.7Confident207 Ų207134.1 Ų134.178%0.78164%0.636SS**Hα-helixtrans-66.7-38.3176.1-81.6-178.493159.95.6112.7A83 E84 F85A83-R87 PolarHBondContact O-N 3.16Å; A83-R87 VanDerWaalsContact O-N 3.16Å; E84-R87 PolarHBondContact O-N 3.08Å; F85-R87 PolarHBondContact O-N 3.41Å
88L75.4Confident80Confident129 Ų129138.1 Ų138.168%0.67564%0.642SS**Hα-helixtrans-70.3-33.1-179.5-71171.7000112.2E84 F85E84-L88 WeakPolarHBondContact O-CG 3.43Å; E84-L88 PolarHBondContact O-N 3.19Å; E84-L88 VanDerWaalsContact O-N 3.09Å; F85-L88 PolarHBondContact O-N 3.35Å
89W66.9Low79Confident208 Ų208143.8 Ų143.879%0.78865%0.651SS**Hα-helixtrans-80.3-15-179.6-109.581000115F85 K91F85-W89 AromaticContact CE1-CD1 3.71Å; F85-W89 AromaticContact CE1-NE1 3.87Å; F85-W89 PolarHBondContact O-N 3.09Å; W89-K91 VanDerWaalsContact C-N 3.35Å
90K65.8Low77.9Confident164 Ų164141.9 Ų141.971%0.71365%0.651SS**THydrogen-bonded Turntrans-92.19.3175.9-78.4179.2180146.40113.9D86D86-K90 PolarHBondContact O-N 3.49Å; D86-K90 IonicContact OD1-NZ 2.78Å; D86-K90 IonicContact OD2-NZ 3.04Å; D86-K90 PolarHBondContact OD2-NZ 3.27Å
91K54.1Low76.7Confident241 Ų241142.9 Ų142.9100%1.04866%0.658SS**  trans-114.40-178.6-149.2-177.1-171.3-171.90110.2W89W89-K91 VanDerWaalsContact C-N 3.35Å

Retrieved 91 of 91 residues in 45.4 ms (Link to these results)