A0A077ZLU2_TRITR Loading...

Mito carr domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLU2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 90 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
1S43.8Very low61.1Low175 Ų175117.2 Ų117.2100%1.22469%0.692SS**  026.20-46.20000113.5
2S48.2Very low62.6Low125 Ų125113.2 Ų113.287%0.87467%0.669SS**  trans-111.26.6-170.8-45.40000113.9G4S2-G4 PolarHBondContact O-N 2.92Å
3E51.8Low63.7Low173 Ų173111.4 Ų111.481%0.80866%0.66SS**  trans-83.374.3166.8-64.1-170.4151.200108
4G65Low64.7Low46 Ų46107.3 Ų107.347%0.47464%0.638SS.*  trans-65.8-175.2177.500000112.7S2 L6 S7S2-G4 PolarHBondContact O-N 2.92Å; G4-L6 PolarHBondContact O-N 3.31Å; G4-S7 PolarHBondContact O-N 2.88Å
5A65.5Low65.7Low76 Ų76103 Ų10363%0.62862%0.619SS**THydrogen-bonded Turntrans-47.2-18.1-17700000116.4S7 L8A5-S7 VanDerWaalsContact C-N 3.28Å; A5-S7 PolarHBondContact O-N 2.93Å; A5-L8 WeakPolarHBondContact O-CB 3.28Å; A5-L8 PolarHBondContact O-N 3.37Å
6L63.8Low67Low145 Ų145100.9 Ų100.976%0.75961%0.607SS**Hα-helixtrans-60.3-29.4169.5-86.1156.2000114G4 L8 W9 Q10G4-L6 PolarHBondContact O-N 3.31Å; L6-L8 VanDerWaalsContact C-N 3.32Å; L6-L8 PolarHBondContact O-N 3.09Å; L6-W9 WeakPolarHBondContact O-CB 3.38Å; L6-W9 PolarHBondContact O-N 3.4Å; L6-W9 VanDerWaalsContact O-N 3.14Å; L6-Q10 PolarHBondContact O-N 3.1Å
7S62.8Low68Low50 Ų50101.4 Ų101.435%0.3561%0.605SS.*Hα-helixtrans-67.9-32177.180.50000112.2G4 A5 W9 Q10G4-S7 PolarHBondContact O-N 2.88Å; A5-S7 VanDerWaalsContact C-N 3.28Å; A5-S7 PolarHBondContact O-N 2.93Å; S7-W9 VanDerWaalsContact C-N 3.26Å; S7-W9 PolarHBondContact O-N 3.19Å; S7-Q10 WeakPolarHBondContact O-CB 3.48Å; S7-Q10 PolarHBondContact O-N 3.27Å
8L66.1Low68.7Low126 Ų126102.2 Ų102.266%0.6660%0.596SS**Hα-helixtrans-61.7-37.9171.7-68.9164.9000110.8A5 L6 Q10 G11 V12A5-L8 WeakPolarHBondContact O-CB 3.28Å; A5-L8 PolarHBondContact O-N 3.37Å; L6-L8 VanDerWaalsContact C-N 3.32Å; L6-L8 PolarHBondContact O-N 3.09Å; L8-Q10 VanDerWaalsContact C-N 3.32Å; L8-Q10 PolarHBondContact O-N 3.44Å; L8-G11 PolarHBondContact O-N 3.23Å; L8-V12 WeakPolarHBondContact O-CG2 3.49Å; L8-V12 PolarHBondContact O-N 3.47Å
9W67.6Low69.6Low176 Ų176102.5 Ų102.567%0.66759%0.59SS**Hα-helixtrans-68.8-29178.6-123.2-92.6000113.4L6 S7 G11 V12 T13L6-W9 WeakPolarHBondContact O-CB 3.38Å; L6-W9 PolarHBondContact O-N 3.4Å; L6-W9 VanDerWaalsContact O-N 3.14Å; S7-W9 VanDerWaalsContact C-N 3.26Å; S7-W9 PolarHBondContact O-N 3.19Å; W9-G11 PolarHBondContact O-N 3.47Å; W9-V12 PolarHBondContact O-N 3.18Å; W9-T13 PolarHBondContact O-N 3.14Å; W9-T13 PolarHBondContact O-OG1 2.99Å
10Q67.7Low70.5Confident153 Ų153106.2 Ų106.272%0.71560%0.596SS**Hα-helixtrans-63-27.9176.4-67.6-170.3-2100112.6L6 S7 L8 P14L6-Q10 PolarHBondContact O-N 3.1Å; S7-Q10 WeakPolarHBondContact O-CB 3.48Å; S7-Q10 PolarHBondContact O-N 3.27Å; L8-Q10 VanDerWaalsContact C-N 3.32Å; L8-Q10 PolarHBondContact O-N 3.44Å; Q10-P14 WeakPolarHBondContact O-CD 3.4Å; Q10-P14 WeakPolarHBondContact O-CG 3.36Å
11G69.3Low71.1Confident44 Ų44104 Ų10445%0.45458%0.582SS.*Hα-helixtrans-84.7-31.4173.600000114L8 W9 P14 A15L8-G11 PolarHBondContact O-N 3.23Å; W9-G11 PolarHBondContact O-N 3.47Å; G11-P14 WeakPolarHBondContact O-CD 3.47Å; G11-P14 WeakPolarHBondContact O-CG 3.48Å; G11-A15 WeakPolarHBondContact O-CB 3.49Å; G11-A15 PolarHBondContact O-N 3.09Å
12V79Confident73Confident69 Ų6998.2 Ų98.242%0.41853%0.533SS..Hα-helixtrans-68-46.4-177.4174.80000111.3L8 W9 A15 V16L8-V12 WeakPolarHBondContact O-CG2 3.49Å; L8-V12 PolarHBondContact O-N 3.47Å; W9-V12 PolarHBondContact O-N 3.18Å; V12-A15 WeakPolarHBondContact O-CB 3.37Å; V12-A15 PolarHBondContact O-N 2.95Å; V12-A15 VanDerWaalsContact O-N 3.09Å; V12-V16 HydrophobicContact CG1-CG2 3.98Å; V12-V16 WeakPolarHBondContact O-CG2 2.99Å; V12-V16 PolarHBondContact O-N 2.94Å
13T77.5Confident74.9Confident90 Ų9094 Ų9455%0.55250%0.503SS*.Hα-helixtrans-54.4-54.2179.5-57.40000113.2W9 A15 V16 L17W9-T13 PolarHBondContact O-N 3.14Å; W9-T13 PolarHBondContact O-OG1 2.99Å; T13-A15 VanDerWaalsContact C-N 3.27Å; T13-A15 PolarHBondContact O-N 3.18Å; T13-V16 PolarHBondContact O-N 3.38Å; T13-L17 WeakPolarHBondContact O-CB 3.2Å; T13-L17 PolarHBondContact O-N 3.32Å
14P77.3Confident76.7Confident54 Ų5487.4 Ų87.435%0.35148%0.481SS..Hα-helixtrans-66.3-27.9177.222.4-30.3000112.9Q10 G11 R18Q10-P14 WeakPolarHBondContact O-CD 3.4Å; Q10-P14 WeakPolarHBondContact O-CG 3.36Å; G11-P14 WeakPolarHBondContact O-CD 3.47Å; G11-P14 WeakPolarHBondContact O-CG 3.48Å; P14-R18 VanDerWaalsContact O-CB 3.28Å; P14-R18 WeakPolarHBondContact O-CB 3.37Å; P14-R18 PolarHBondContact O-N 3.17Å
15A80.3Confident77.8Confident43 Ų4389.5 Ų89.536%0.35548%0.477SS..Hα-helixtrans-68-43.8173.700000112.1G11 V12 T13 R18 H19G11-A15 WeakPolarHBondContact O-CB 3.49Å; G11-A15 PolarHBondContact O-N 3.09Å; V12-A15 WeakPolarHBondContact O-CB 3.37Å; V12-A15 PolarHBondContact O-N 2.95Å; V12-A15 VanDerWaalsContact O-N 3.09Å; T13-A15 VanDerWaalsContact C-N 3.27Å; T13-A15 PolarHBondContact O-N 3.18Å; A15-R18 PolarHBondContact O-N 3.4Å; A15-H19 WeakPolarHBondContact O-CB 3.47Å; A15-H19 PolarHBondContact O-N 2.88Å
16V86.2Confident79Confident69 Ų6990.9 Ų90.942%0.41847%0.466SS..Hα-helixtrans-64.7-46.2176171.50000110.3V12 T13 R18 H19 Y20V12-V16 HydrophobicContact CG1-CG2 3.98Å; V12-V16 WeakPolarHBondContact O-CG2 2.99Å; V12-V16 PolarHBondContact O-N 2.94Å; T13-V16 PolarHBondContact O-N 3.38Å; V16-R18 VanDerWaalsContact C-N 3.34Å; V16-R18 PolarHBondContact O-N 3.33Å; V16-H19 PolarHBondContact O-N 3.36Å; V16-H19 VanDerWaalsContact O-N 3.11Å; V16-Y20 HydrophobicContact CG1-CD2 3.69Å; V16-Y20 HydrophobicContact CG1-CE2 3.87Å; V16-Y20 PolarHBondContact O-N 2.91Å
17L83.6Confident80.3Confident110 Ų11087.5 Ų87.558%0.57645%0.451SS*.Hα-helixtrans-58.8-46.6177.2-167.179.4000111.1T13 H19 Y20 I21T13-L17 WeakPolarHBondContact O-CB 3.2Å; T13-L17 PolarHBondContact O-N 3.32Å; L17-H19 VanDerWaalsContact C-N 3.3Å; L17-H19 PolarHBondContact O-N 3.39Å; L17-Y20 PolarHBondContact O-N 2.93Å; L17-I21 HydrophobicContact CD2-CD1 4.32Å; L17-I21 HydrophobicContact CG-CD1 3.98Å; L17-I21 WeakPolarHBondContact O-CB 3.28Å; L17-I21 VanDerWaalsContact O-CG1 3.3Å; L17-I21 WeakPolarHBondContact O-CG1 3.39Å; L17-I21 PolarHBondContact O-N 3.3Å
18R81.1Confident81.7Confident116 Ų11689.3 Ų89.344%0.43846%0.46SS..Hα-helixtrans-57.8-44174.7-175-169.568.688.60.6111.3P14 A15 V16 I21 Y22P14-R18 VanDerWaalsContact O-CB 3.28Å; P14-R18 WeakPolarHBondContact O-CB 3.37Å; P14-R18 PolarHBondContact O-N 3.17Å; A15-R18 PolarHBondContact O-N 3.4Å; V16-R18 VanDerWaalsContact C-N 3.34Å; V16-R18 PolarHBondContact O-N 3.33Å; R18-I21 PolarHBondContact O-N 3.47Å; R18-Y22 VanDerWaalsContact O-CB 3.23Å; R18-Y22 WeakPolarHBondContact O-CB 3.47Å; R18-Y22 PolarHBondContact O-N 3.42Å
19H86.1Confident82.9Confident107 Ų10784.6 Ų84.650%0.49544%0.436SS..Hα-helixtrans-65.6-42.3-180-166.274.5000111.9A15 V16 L17 T23A15-H19 WeakPolarHBondContact O-CB 3.47Å; A15-H19 PolarHBondContact O-N 2.88Å; V16-H19 PolarHBondContact O-N 3.36Å; V16-H19 VanDerWaalsContact O-N 3.11Å; L17-H19 VanDerWaalsContact C-N 3.3Å; L17-H19 PolarHBondContact O-N 3.39Å; H19-T23 PolarHBondContact NE2-OG1 3.38Å; H19-T23 WeakPolarHBondContact O-CB 3.41Å; H19-T23 PolarHBondContact O-N 2.7Å; H19-T23 PolarHBondContact O-OG1 3.07Å; H19-T23 VanDerWaalsContact O-OG1 3.1Å
20Y86.5Confident84.1Confident177 Ų17779.2 Ų79.269%0.69442%0.416SS*.Hα-helixtrans-61.5-47.9175.8-98.8-77.4000112.1V16 L17 G24V16-Y20 HydrophobicContact CG1-CD2 3.69Å; V16-Y20 HydrophobicContact CG1-CE2 3.87Å; V16-Y20 PolarHBondContact O-N 2.91Å; L17-Y20 PolarHBondContact O-N 2.93Å; Y20-G24 WeakPolarHBondContact O-CA 3.25Å; Y20-G24 PolarHBondContact O-N 3.01Å
21I84.7Confident85.3Confident59 Ų5976.4 Ų76.430%0.30340%0.402SS..Hα-helixtrans-61.5-53.5178.8-68.7170.9000109.7L17 R18 T23 G24 F25L17-I21 HydrophobicContact CD2-CD1 4.32Å; L17-I21 HydrophobicContact CG-CD1 3.98Å; L17-I21 WeakPolarHBondContact O-CB 3.28Å; L17-I21 VanDerWaalsContact O-CG1 3.3Å; L17-I21 WeakPolarHBondContact O-CG1 3.39Å; L17-I21 PolarHBondContact O-N 3.3Å; R18-I21 PolarHBondContact O-N 3.47Å; I21-T23 PolarHBondContact O-N 2.88Å; I21-G24 PolarHBondContact O-N 2.94Å; I21-F25 HydrophobicContact CG2-CD2 3.66Å; I21-F25 HydrophobicContact CG2-CE2 3.74Å; I21-F25 VanDerWaalsContact O-CD2 3.24Å; I21-F25 WeakPolarHBondContact O-CD2 3.33Å; I21-F25 PolarHBondContact O-N 2.91Å
22Y83.1Confident86.4Confident54 Ų5479.2 Ų79.221%0.21240%0.404CS..Hα-helixtrans-59.8-49.9-178.3178.9-95.1000112.2R18 R26 A62R18-Y22 VanDerWaalsContact O-CB 3.23Å; R18-Y22 WeakPolarHBondContact O-CB 3.47Å; R18-Y22 PolarHBondContact O-N 3.42Å; Y22-R26 VanDerWaalsContact O-CB 3.29Å; Y22-R26 WeakPolarHBondContact O-CB 3.39Å; Y22-R26 PolarHBondContact O-N 3.34Å; Y22-A62 HydrophobicContact CE2-CB 4.38Å
23T88.2Confident87Confident37 Ų3776.6 Ų76.623%0.22739%0.388CS..Hα-helixtrans-66.8-39.8-179.3-65.50000111.3H19 I21 R26 V27H19-T23 PolarHBondContact NE2-OG1 3.38Å; H19-T23 WeakPolarHBondContact O-CB 3.41Å; H19-T23 PolarHBondContact O-N 2.7Å; H19-T23 PolarHBondContact O-OG1 3.07Å; H19-T23 VanDerWaalsContact O-OG1 3.1Å; I21-T23 PolarHBondContact O-N 2.88Å; T23-R26 PolarHBondContact O-N 2.91Å; T23-V27 HydrophobicContact CG2-CG2 4.37Å; T23-V27 VanDerWaalsContact O-CG2 3.29Å; T23-V27 WeakPolarHBondContact O-CG2 3.48Å; T23-V27 PolarHBondContact O-N 2.88Å
24G90Very high87.6Confident35 Ų3574.8 Ų74.836%0.36137%0.371SS..Hα-helixtrans-59.4-53.5175.600000112Y20 I21 R26 V27 V28Y20-G24 WeakPolarHBondContact O-CA 3.25Å; Y20-G24 PolarHBondContact O-N 3.01Å; I21-G24 PolarHBondContact O-N 2.94Å; G24-R26 VanDerWaalsContact C-N 3.34Å; G24-R26 PolarHBondContact O-N 3.28Å; G24-V27 PolarHBondContact O-N 3.5Å; G24-V28 WeakPolarHBondContact O-CG2 3.24Å; G24-V28 PolarHBondContact O-N 2.86Å
25F87.9Confident88.2Confident89 Ų8975.6 Ų75.639%0.3937%0.371SS..Hα-helixtrans-60-43.6176.6-84.1-68.9000112.1I21 V27 V28 I29 A62 V65I21-F25 HydrophobicContact CG2-CD2 3.66Å; I21-F25 HydrophobicContact CG2-CE2 3.74Å; I21-F25 VanDerWaalsContact O-CD2 3.24Å; I21-F25 WeakPolarHBondContact O-CD2 3.33Å; I21-F25 PolarHBondContact O-N 2.91Å; F25-V27 VanDerWaalsContact C-N 3.34Å; F25-V27 PolarHBondContact O-N 3.01Å; F25-V28 PolarHBondContact O-N 3.25Å; F25-I29 HydrophobicContact CB-CD1 4.46Å; F25-I29 WeakPolarHBondContact O-CB 3.46Å; F25-I29 WeakPolarHBondContact O-CD1 3.35Å; F25-I29 WeakPolarHBondContact O-CG1 3.5Å; F25-I29 PolarHBondContact O-N 2.94Å; F25-A62 HydrophobicContact CB-CB 4.15Å; F25-V65 HydrophobicContact CD1-CG1 4.24Å; F25-V65 HydrophobicContact CD2-CG1 4.33Å; F25-V65 HydrophobicContact CE1-CG1 3.97Å; F25-V65 HydrophobicContact CE2-CG1 4.07Å; F25-V65 HydrophobicContact CG-CG1 4.43Å; F25-V65 HydrophobicContact CZ-CG1 3.88Å
26R89.2Confident88.7Confident105 Ų10578.7 Ų78.740%0.39638%0.377SS..Hα-helixtrans-59.8-43.9178.5-170.7-177.771.5-175.11.5111.8Y22 T23 G24 Y30 A62Y22-R26 VanDerWaalsContact O-CB 3.29Å; Y22-R26 WeakPolarHBondContact O-CB 3.39Å; Y22-R26 PolarHBondContact O-N 3.34Å; T23-R26 PolarHBondContact O-N 2.91Å; G24-R26 VanDerWaalsContact C-N 3.34Å; G24-R26 PolarHBondContact O-N 3.28Å; R26-Y30 WeakPolarHBondContact O-CB 3.4Å; R26-Y30 PolarHBondContact O-N 2.94Å; R26-A62 HydrophobicContact CB-CB 4.11Å
27V91.8Very high88.8Confident74 Ų7479.9 Ų79.945%0.44839%0.385SS..Hα-helixtrans-65-48.7178.71710000110.7T23 G24 F25 I29 Y30 E31T23-V27 HydrophobicContact CG2-CG2 4.37Å; T23-V27 VanDerWaalsContact O-CG2 3.29Å; T23-V27 WeakPolarHBondContact O-CG2 3.48Å; T23-V27 PolarHBondContact O-N 2.88Å; G24-V27 PolarHBondContact O-N 3.5Å; F25-V27 VanDerWaalsContact C-N 3.34Å; F25-V27 PolarHBondContact O-N 3.01Å; V27-I29 PolarHBondContact O-N 3.45Å; V27-Y30 WeakPolarHBondContact O-CB 3.21Å; V27-Y30 PolarHBondContact O-N 2.91Å; V27-E31 HydrophobicContact CG1-CG 4.41Å; V27-E31 WeakPolarHBondContact O-CG 3.45Å; V27-E31 PolarHBondContact O-N 3.41Å
28V92.7Very high89.2Confident88 Ų8876.4 Ų76.453%0.53337%0.365SS..Hα-helixtrans-58.6-50179.6172.70000111G24 F25 Y30 E31 E32G24-V28 WeakPolarHBondContact O-CG2 3.24Å; G24-V28 PolarHBondContact O-N 2.86Å; F25-V28 PolarHBondContact O-N 3.25Å; V28-Y30 VanDerWaalsContact C-N 3.29Å; V28-Y30 PolarHBondContact O-N 3.36Å; V28-E31 PolarHBondContact O-N 2.83Å; V28-E32 WeakPolarHBondContact O-CB 3.28Å; V28-E32 WeakPolarHBondContact O-CG 3.4Å; V28-E32 PolarHBondContact O-N 3.47Å
29I91.1Very high89.6Confident28 Ų2878.6 Ų78.614%0.14437%0.373CS..Hα-helixtrans-65.4-36.7180-60.9163000110.8F25 V27 E32 C33 L61 A62F25-I29 HydrophobicContact CB-CD1 4.46Å; F25-I29 WeakPolarHBondContact O-CB 3.46Å; F25-I29 WeakPolarHBondContact O-CD1 3.35Å; F25-I29 WeakPolarHBondContact O-CG1 3.5Å; F25-I29 PolarHBondContact O-N 2.94Å; V27-I29 PolarHBondContact O-N 3.45Å; I29-E32 PolarHBondContact O-N 3.5Å; I29-C33 WeakPolarHBondContact O-CB 3.3Å; I29-C33 PolarHBondContact O-N 3.43Å; I29-C33 PolarHBondContact O-SG 2.76Å; I29-L61 HydrophobicContact CD1-CB 3.89Å; I29-L61 HydrophobicContact CG2-CB 4.16Å; I29-L61 HydrophobicContact CG2-CD1 3.8Å; I29-A62 HydrophobicContact CD1-CB 4.14Å
30Y93.1Very high89.8Confident63 Ų6379.2 Ų79.225%0.24737%0.371CS..Hα-helixtrans-63-44.7176.3-176.9-86.4000111.6R26 V27 V28 C33 R34 T54R26-Y30 WeakPolarHBondContact O-CB 3.4Å; R26-Y30 PolarHBondContact O-N 2.94Å; V27-Y30 WeakPolarHBondContact O-CB 3.21Å; V27-Y30 PolarHBondContact O-N 2.91Å; V28-Y30 VanDerWaalsContact C-N 3.29Å; V28-Y30 PolarHBondContact O-N 3.36Å; Y30-C33 PolarHBondContact O-N 3.46Å; Y30-R34 HydrophobicContact CE1-CB 4.46Å; Y30-R34 VanDerWaalsContact O-CB 3.25Å; Y30-R34 WeakPolarHBondContact O-CB 3.39Å; Y30-R34 PolarHBondContact O-N 3.28Å; Y30-T54 HydrophobicContact CD1-CG2 4.37Å; Y30-T54 HydrophobicContact CD2-CG2 3.39Å; Y30-T54 HydrophobicContact CE1-CG2 4.47Å; Y30-T54 HydrophobicContact CE2-CG2 3.51Å; Y30-T54 HydrophobicContact CG-CG2 3.85Å; Y30-T54 WeakPolarHBondContact O-CG2 3.23Å
31E92.1Very high90Very high94 Ų9473 Ų7344%0.43935%0.35SS..Hα-helixtrans-64-45.3177.5-64.3-138.1122.800111.4V27 V28 C33 R34 E35V27-E31 HydrophobicContact CG1-CG 4.41Å; V27-E31 WeakPolarHBondContact O-CG 3.45Å; V27-E31 PolarHBondContact O-N 3.41Å; V28-E31 PolarHBondContact O-N 2.83Å; E31-C33 PolarHBondContact O-N 3Å; E31-R34 PolarHBondContact O-N 3.39Å; E31-R34 IonicContact OE1-CZ 3.84Å; E31-R34 IonicContact OE1-NH2 2.73Å; E31-R34 PolarHBondContact OE1-NH2 2.9Å; E31-E35 WeakPolarHBondContact O-CG 3.42Å; E31-E35 PolarHBondContact O-N 3.28Å
32E92.7Very high90.1Very high102 Ų10277.2 Ų77.248%0.47738%0.381SS..Hα-helixtrans-58.4-47.1175.4-75.5-61.4143.800112.1V28 I29 R34 H36V28-E32 WeakPolarHBondContact O-CB 3.28Å; V28-E32 WeakPolarHBondContact O-CG 3.4Å; V28-E32 PolarHBondContact O-N 3.47Å; I29-E32 PolarHBondContact O-N 3.5Å; E32-R34 PolarHBondContact O-N 2.94Å; E32-H36 VanDerWaalsContact O-CB 3.29Å; E32-H36 WeakPolarHBondContact O-CB 3.37Å; E32-H36 PolarHBondContact O-N 3.09Å; E32-H36 PolarHBondContact O-ND1 3.24Å; E32-H36 IonicContact OE1-CE1 3.68Å; E32-H36 IonicContact OE2-CE1 2.7Å; E32-H36 PolarHBondContact OE2-CE1 3.38Å; E32-H36 IonicContact OE2-CG 3.97Å; E32-H36 IonicContact OE2-ND1 3.21Å; E32-H36 PolarHBondContact OE2-ND1 3.2Å
33C91.2Very high90.5Very high14 Ų1480 Ų8010%0.09540%0.4CS..Iπ-helixtrans-66.5-37.7176.5-75.20000112.3I29 Y30 E31 V37 F38 T54I29-C33 WeakPolarHBondContact O-CB 3.3Å; I29-C33 PolarHBondContact O-N 3.43Å; I29-C33 PolarHBondContact O-SG 2.76Å; Y30-C33 PolarHBondContact O-N 3.46Å; E31-C33 PolarHBondContact O-N 3Å; C33-V37 HydrophobicContact CB-CB 4.45Å; C33-V37 HydrophobicContact CB-CG2 4.45Å; C33-V37 WeakPolarHBondContact O-CA 3.4Å; C33-V37 WeakPolarHBondContact O-CB 3.44Å; C33-V37 PolarHBondContact O-N 3.29Å; C33-V37 VanDerWaalsContact O-N 3.09Å; C33-F38 PolarHBondContact O-N 3.32Å; C33-T54 HydrophobicContact CB-CG2 3.52Å
34R90.8Very high90.6Very high52 Ų5280.3 Ų80.320%0.19641%0.411CS..Iπ-helixtrans-65-48178.7-179.3179.476-152.3-13.1111.3Y30 E31 E32 R39 F46 T54Y30-R34 HydrophobicContact CE1-CB 4.46Å; Y30-R34 VanDerWaalsContact O-CB 3.25Å; Y30-R34 WeakPolarHBondContact O-CB 3.39Å; Y30-R34 PolarHBondContact O-N 3.28Å; E31-R34 PolarHBondContact O-N 3.39Å; E31-R34 IonicContact OE1-CZ 3.84Å; E31-R34 IonicContact OE1-NH2 2.73Å; E31-R34 PolarHBondContact OE1-NH2 2.9Å; E32-R34 PolarHBondContact O-N 2.94Å; R34-R39 WeakPolarHBondContact O-CA 3.3Å; R34-R39 PolarHBondContact O-N 3.23Å; R34-F46 HydrophobicContact CB-CE1 4.48Å; R34-F46 HydrophobicContact CB-CE2 4.49Å; R34-F46 HydrophobicContact CB-CZ 4.1Å; R34-F46 HydrophobicContact CG-CD1 4.27Å; R34-F46 HydrophobicContact CG-CD2 4.08Å; R34-F46 HydrophobicContact CG-CE1 3.9Å; R34-F46 HydrophobicContact CG-CE2 3.76Å; R34-F46 HydrophobicContact CG-CG 4.34Å; R34-F46 HydrophobicContact CG-CZ 3.67Å; R34-T54 HydrophobicContact CB-CG2 4.38Å
35E89.5Confident90.6Very high72 Ų7281.9 Ų81.934%0.33641%0.413SS..Iπ-helixtrans-82.1-35.9-173.9-62-56.9149.300112.4E31 R39 R40E31-E35 WeakPolarHBondContact O-CG 3.42Å; E31-E35 PolarHBondContact O-N 3.28Å; E35-R39 VanDerWaalsContact O-CG 3.32Å; E35-R39 WeakPolarHBondContact O-CG 3.37Å; E35-R40 IonicContact OE1-CZ 3.59Å; E35-R40 IonicContact OE1-NH1 2.91Å; E35-R40 PolarHBondContact OE1-NH1 2.83Å; E35-R40 IonicContact OE1-NH2 2.81Å; E35-R40 IonicContact OE2-NH1 3.47Å; E35-R40 PolarHBondContact OE2-NH1 3.35Å
36H90.1Very high90.8Very high107 Ų10779.9 Ų79.950%0.49541%0.405SS..Iπ-helixtrans-102.2-39.5-173.5-59.7116.3000114.2E32 R39E32-H36 VanDerWaalsContact O-CB 3.29Å; E32-H36 WeakPolarHBondContact O-CB 3.37Å; E32-H36 PolarHBondContact O-N 3.09Å; E32-H36 PolarHBondContact O-ND1 3.24Å; E32-H36 IonicContact OE1-CE1 3.68Å; E32-H36 IonicContact OE2-CE1 2.7Å; E32-H36 PolarHBondContact OE2-CE1 3.38Å; E32-H36 IonicContact OE2-CG 3.97Å; E32-H36 IonicContact OE2-ND1 3.21Å; E32-H36 PolarHBondContact OE2-ND1 3.2Å; H36-R39 PolarHBondContact O-NE 3.22Å
37V90.3Very high91Very high95 Ų9575.9 Ų75.958%0.57639%0.394SS*.Iπ-helixtrans-90.3-62.6-171.7-178.40000111.9C33C33-V37 HydrophobicContact CB-CB 4.45Å; C33-V37 HydrophobicContact CB-CG2 4.45Å; C33-V37 WeakPolarHBondContact O-CA 3.4Å; C33-V37 WeakPolarHBondContact O-CB 3.44Å; C33-V37 PolarHBondContact O-N 3.29Å; C33-V37 VanDerWaalsContact O-N 3.09Å
38F91.1Very high91.1Very high37 Ų3778.7 Ų78.716%0.16241%0.406CS..Iπ-helixtrans-85.6-30.9-175.6-70.9-75.7000113C33 F46 W49 K50 L53 T54 L57C33-F38 PolarHBondContact O-N 3.32Å; F38-F46 HydrophobicContact CB-CE2 3.93Å; F38-F46 HydrophobicContact CB-CZ 4.12Å; F38-W49 HydrophobicContact CD1-CZ3 4.31Å; F38-W49 HydrophobicContact CE1-CZ3 4.34Å; F38-K50 HydrophobicContact CB-CB 4.08Å; F38-K50 HydrophobicContact CB-CD 4.15Å; F38-K50 HydrophobicContact CB-CG 4.17Å; F38-K50 HydrophobicContact CD1-CB 4.4Å; F38-K50 HydrophobicContact CD1-CG 4.27Å; F38-K50 HydrophobicContact CG-CB 4.36Å; F38-K50 VanDerWaalsContact O-CE 3.3Å; F38-K50 WeakPolarHBondContact O-CE 3.4Å; F38-K50 PolarHBondContact O-NZ 3.45Å; F38-L53 HydrophobicContact CE1-CB 3.83Å; F38-L53 HydrophobicContact CE1-CD1 3.73Å; F38-L53 HydrophobicContact CE1-CG 4.46Å; F38-L53 HydrophobicContact CE2-CB 4.14Å; F38-L53 HydrophobicContact CZ-CB 3.49Å; F38-L53 VanDerWaalsContact CZ-CB 3.49Å; F38-L53 HydrophobicContact CZ-CD1 4.13Å; F38-L53 HydrophobicContact CZ-CG 4.44Å; F38-T54 WeakPolarHBondContact CD2-OG1 3.17Å; F38-L57 HydrophobicContact CE2-CD1 3.68Å; F38-L57 HydrophobicContact CZ-CD1 3.65Å
39R90.3Very high91.1Very high162 Ų16281.5 Ų81.561%0.61141%0.407SS*.  trans56.5154.5-178.1-63.8175.3-176.5-170.7-2.1113.5R34 E35 H36 K50R34-R39 WeakPolarHBondContact O-CA 3.3Å; R34-R39 PolarHBondContact O-N 3.23Å; E35-R39 VanDerWaalsContact O-CG 3.32Å; E35-R39 WeakPolarHBondContact O-CG 3.37Å; H36-R39 PolarHBondContact O-NE 3.22Å; R39-K50 WeakPolarHBondContact O-CD 3.45Å; R39-K50 PolarHBondContact O-NZ 3.27Å
40R90Very high91.3Very high119 Ų11981.2 Ų81.245%0.44940%0.404SS..  trans-64.7150.6166.5-71.2179.7173.7100.80.5109.8E35 G44E35-R40 IonicContact OE1-CZ 3.59Å; E35-R40 IonicContact OE1-NH1 2.91Å; E35-R40 PolarHBondContact OE1-NH1 2.83Å; E35-R40 IonicContact OE1-NH2 2.81Å; E35-R40 IonicContact OE2-NH1 3.47Å; E35-R40 PolarHBondContact OE2-NH1 3.35Å; R40-G44 WeakPolarHBondContact CD-O 3.3Å
41N89.4Confident91.2Very high46 Ų4679.4 Ų79.425%0.24640%0.403CS..  trans-65.9164.6169.6-70.7-17.1000110D43 G44 T45 K50N41-D43 WeakPolarHBondContact CB-OD1 3.36Å; N41-D43 PolarHBondContact O-N 3.14Å; N41-D43 VanDerWaalsContact O-N 3.14Å; N41-G44 WeakPolarHBondContact O-CA 3.5Å; N41-G44 PolarHBondContact O-N 2.87Å; N41-T45 WeakPolarHBondContact CB-O 3.39Å; N41-T45 PolarHBondContact N-O 3.4Å; N41-T45 PolarHBondContact ND2-OG1 3.15Å; N41-K50 WeakPolarHBondContact OD1-CE 3.14Å; N41-K50 PolarHBondContact OD1-NZ 3.18Å
42P88.3Confident91.4Very high148 Ų14880.8 Ų80.896%0.96141%0.411SS*.THydrogen-bonded Turntrans-58.7-26.3-180-24.734.5000114.2G44P42-G44 PolarHBondContact O-N 2.86Å
43D91.4Very high91.4Very high112 Ų11279.6 Ų79.660%0.59941%0.407SS*.THydrogen-bonded Turntrans-803.2175.164-5.4000113.3N41 T45N41-D43 WeakPolarHBondContact CB-OD1 3.36Å; N41-D43 PolarHBondContact O-N 3.14Å; N41-D43 VanDerWaalsContact O-N 3.14Å; D43-T45 PolarHBondContact O-N 3.47Å; D43-T45 WeakPolarHBondContact OD1-CB 3.29Å; D43-T45 PolarHBondContact OD1-N 3.32Å; D43-T45 PolarHBondContact OD1-OG1 3.42Å; D43-T45 WeakPolarHBondContact OD2-CG2 3.38Å; D43-T45 PolarHBondContact OD2-OG1 3.41Å
44G89Confident91.5Very high45 Ų4579 Ų7946%0.46440%0.403SS..SBendtrans78.2-3.1-176.800000114.3R40 N41 P42R40-G44 WeakPolarHBondContact CD-O 3.3Å; N41-G44 WeakPolarHBondContact O-CA 3.5Å; N41-G44 PolarHBondContact O-N 2.87Å; P42-G44 PolarHBondContact O-N 2.86Å
45T91.4Very high91.6Very high68 Ų6877.9 Ų77.942%0.41741%0.408SS..  trans-77.7151.2179.169.80000111.1N41 D43N41-T45 WeakPolarHBondContact CB-O 3.39Å; N41-T45 PolarHBondContact N-O 3.4Å; N41-T45 PolarHBondContact ND2-OG1 3.15Å; D43-T45 PolarHBondContact O-N 3.47Å; D43-T45 WeakPolarHBondContact OD1-CB 3.29Å; D43-T45 PolarHBondContact OD1-N 3.32Å; D43-T45 PolarHBondContact OD1-OG1 3.42Å; D43-T45 WeakPolarHBondContact OD2-CG2 3.38Å; D43-T45 PolarHBondContact OD2-OG1 3.41Å
46F92.1Very high91.8Very high47 Ų4779.4 Ų79.421%0.20642%0.422CS..  trans-110.7101170.3-164-122000108.8R34 F38 K50 A51 T54R34-F46 HydrophobicContact CB-CE1 4.48Å; R34-F46 HydrophobicContact CB-CE2 4.49Å; R34-F46 HydrophobicContact CB-CZ 4.1Å; R34-F46 HydrophobicContact CG-CD1 4.27Å; R34-F46 HydrophobicContact CG-CD2 4.08Å; R34-F46 HydrophobicContact CG-CE1 3.9Å; R34-F46 HydrophobicContact CG-CE2 3.76Å; R34-F46 HydrophobicContact CG-CG 4.34Å; R34-F46 HydrophobicContact CG-CZ 3.67Å; F38-F46 HydrophobicContact CB-CE2 3.93Å; F38-F46 HydrophobicContact CB-CZ 4.12Å; F46-K50 HydrophobicContact CD2-CB 4.14Å; F46-K50 HydrophobicContact CD2-CD 4.15Å; F46-K50 HydrophobicContact CE1-CB 4.16Å; F46-K50 HydrophobicContact CE2-CB 3.59Å; F46-K50 HydrophobicContact CE2-CD 3.93Å; F46-K50 HydrophobicContact CE2-CG 4.39Å; F46-K50 HydrophobicContact CZ-CB 3.6Å; F46-A51 HydrophobicContact CD1-CB 3.84Å; F46-A51 VanDerWaalsContact CE1-CA 3.43Å; F46-A51 HydrophobicContact CE1-CB 3.76Å; F46-T54 WeakPolarHBondContact CZ-OG1 3.29Å
47A92.8Very high91.9Very high21 Ų2177.9 Ų77.917%0.17442%0.417CS..  trans-56.2142.3-17600000111.7W49 K50 A51A47-W49 VanDerWaalsContact C-N 3.25Å; A47-W49 HydrophobicContact CB-CG 4.5Å; A47-W49 PolarHBondContact O-N 2.91Å; A47-K50 HydrophobicContact CB-CD 4.45Å; A47-K50 HydrophobicContact CB-CG 4.37Å; A47-K50 WeakPolarHBondContact O-CA 3.34Å; A47-K50 WeakPolarHBondContact O-CB 3.5Å; A47-K50 PolarHBondContact O-N 2.92Å; A47-A51 PolarHBondContact O-N 2.9Å; A47-A51 VanDerWaalsContact O-N 3.08Å
48L93.4Very high92Very high132 Ų13273.4 Ų73.469%0.69139%0.39SS*.Hα-helixtrans-54-41.5-177179.462000112.6K50 A51 M52L48-K50 VanDerWaalsContact C-N 3.3Å; L48-K50 PolarHBondContact O-N 3.37Å; L48-A51 WeakPolarHBondContact O-CB 3.44Å; L48-A51 PolarHBondContact O-N 3.45Å; L48-A51 VanDerWaalsContact O-N 3.13Å; L48-M52 HydrophobicContact CD1-CG 4.39Å; L48-M52 HydrophobicContact CG-CG 4.45Å; L48-M52 HydrophobicContact CG-SD 4.24Å; L48-M52 WeakPolarHBondContact O-CG 3.43Å; L48-M52 PolarHBondContact O-N 2.87Å
49W93.5Very high92Very high147 Ų14772.3 Ų72.356%0.55739%0.389SS*.Hα-helixtrans-63.4-35.417974.4-96.8000112.5F38 A47 M52 L53F38-W49 HydrophobicContact CD1-CZ3 4.31Å; F38-W49 HydrophobicContact CE1-CZ3 4.34Å; A47-W49 VanDerWaalsContact C-N 3.25Å; A47-W49 HydrophobicContact CB-CG 4.5Å; A47-W49 PolarHBondContact O-N 2.91Å; W49-M52 PolarHBondContact O-N 3.36Å; W49-L53 HydrophobicContact CE3-CD1 3.54Å; W49-L53 HydrophobicContact CZ3-CD1 3.59Å; W49-L53 WeakPolarHBondContact O-CG 3.29Å; W49-L53 PolarHBondContact O-N 2.93Å
50K93.9Very high92Very high22 Ų2267.5 Ų67.510%0.09638%0.384CS..Hα-helixtrans-66.2-44173.2-67.1-179167.9-1750110.2F38 R39 N41 F46 A47 L48 M52 L53 T54F38-K50 HydrophobicContact CB-CB 4.08Å; F38-K50 HydrophobicContact CB-CD 4.15Å; F38-K50 HydrophobicContact CB-CG 4.17Å; F38-K50 HydrophobicContact CD1-CB 4.4Å; F38-K50 HydrophobicContact CD1-CG 4.27Å; F38-K50 HydrophobicContact CG-CB 4.36Å; F38-K50 VanDerWaalsContact O-CE 3.3Å; F38-K50 WeakPolarHBondContact O-CE 3.4Å; F38-K50 PolarHBondContact O-NZ 3.45Å; R39-K50 WeakPolarHBondContact O-CD 3.45Å; R39-K50 PolarHBondContact O-NZ 3.27Å; N41-K50 WeakPolarHBondContact OD1-CE 3.14Å; N41-K50 PolarHBondContact OD1-NZ 3.18Å; F46-K50 HydrophobicContact CD2-CB 4.14Å; F46-K50 HydrophobicContact CD2-CD 4.15Å; F46-K50 HydrophobicContact CE1-CB 4.16Å; F46-K50 HydrophobicContact CE2-CB 3.59Å; F46-K50 HydrophobicContact CE2-CD 3.93Å; F46-K50 HydrophobicContact CE2-CG 4.39Å; F46-K50 HydrophobicContact CZ-CB 3.6Å; A47-K50 HydrophobicContact CB-CD 4.45Å; A47-K50 HydrophobicContact CB-CG 4.37Å; A47-K50 WeakPolarHBondContact O-CA 3.34Å; A47-K50 WeakPolarHBondContact O-CB 3.5Å; A47-K50 PolarHBondContact O-N 2.92Å; L48-K50 VanDerWaalsContact C-N 3.3Å; L48-K50 PolarHBondContact O-N 3.37Å; K50-M52 VanDerWaalsContact C-N 3.35Å; K50-M52 PolarHBondContact O-N 3.21Å; K50-L53 PolarHBondContact O-N 2.73Å; K50-T54 VanDerWaalsContact O-CB 3.28Å; K50-T54 WeakPolarHBondContact O-CB 3.46Å; K50-T54 PolarHBondContact O-N 3.5Å; K50-T54 PolarHBondContact O-OG1 3.48Å
51A92.4Very high91.9Very high25 Ų2566 Ų6621%0.20738%0.384CS..Hα-helixtrans-60.7-42.8176.700000112.5F46 A47 L48 T54 G55F46-A51 HydrophobicContact CD1-CB 3.84Å; F46-A51 VanDerWaalsContact CE1-CA 3.43Å; F46-A51 HydrophobicContact CE1-CB 3.76Å; A47-A51 PolarHBondContact O-N 2.9Å; A47-A51 VanDerWaalsContact O-N 3.08Å; L48-A51 WeakPolarHBondContact O-CB 3.44Å; L48-A51 PolarHBondContact O-N 3.45Å; L48-A51 VanDerWaalsContact O-N 3.13Å; A51-T54 PolarHBondContact O-N 3.45Å; A51-G55 PolarHBondContact O-N 2.98Å
52M94.8Very high91.8Very high123 Ų12363.8 Ų63.861%0.60637%0.373SS*.Hα-helixtrans-61.4-50.3176-70.6178.468.300111.7L48 W49 K50 T54 G55 V56L48-M52 HydrophobicContact CD1-CG 4.39Å; L48-M52 HydrophobicContact CG-CG 4.45Å; L48-M52 HydrophobicContact CG-SD 4.24Å; L48-M52 WeakPolarHBondContact O-CG 3.43Å; L48-M52 PolarHBondContact O-N 2.87Å; W49-M52 PolarHBondContact O-N 3.36Å; K50-M52 VanDerWaalsContact C-N 3.35Å; K50-M52 PolarHBondContact O-N 3.21Å; M52-T54 PolarHBondContact O-N 3.5Å; M52-G55 PolarHBondContact O-N 3.39Å; M52-V56 WeakPolarHBondContact O-CG2 3.48Å; M52-V56 PolarHBondContact O-N 2.91Å
53L94.4Very high91.7Very high78 Ų7860.7 Ų60.741%0.40835%0.345SS..Hα-helixtrans-63.7-41.9178.7-73.2173.7000112.4F38 W49 K50 G55 V56 L57F38-L53 HydrophobicContact CE1-CB 3.83Å; F38-L53 HydrophobicContact CE1-CD1 3.73Å; F38-L53 HydrophobicContact CE1-CG 4.46Å; F38-L53 HydrophobicContact CE2-CB 4.14Å; F38-L53 HydrophobicContact CZ-CB 3.49Å; F38-L53 VanDerWaalsContact CZ-CB 3.49Å; F38-L53 HydrophobicContact CZ-CD1 4.13Å; F38-L53 HydrophobicContact CZ-CG 4.44Å; W49-L53 HydrophobicContact CE3-CD1 3.54Å; W49-L53 HydrophobicContact CZ3-CD1 3.59Å; W49-L53 WeakPolarHBondContact O-CG 3.29Å; W49-L53 PolarHBondContact O-N 2.93Å; K50-L53 PolarHBondContact O-N 2.73Å; L53-G55 VanDerWaalsContact C-N 3.3Å; L53-G55 PolarHBondContact O-N 3.19Å; L53-V56 PolarHBondContact O-N 3.43Å; L53-L57 WeakPolarHBondContact O-CB 3.33Å; L53-L57 WeakPolarHBondContact O-CG 3.46Å; L53-L57 PolarHBondContact O-N 2.93Å
54T93.5Very high91.5Very high0 Ų063 Ų630%035%0.35CS..Hα-helixtrans-60.7-42.3175.7-52.50000110.6Y30 C33 R34 F38 F46 K50 A51 M52 S58Y30-T54 HydrophobicContact CD1-CG2 4.37Å; Y30-T54 HydrophobicContact CD2-CG2 3.39Å; Y30-T54 HydrophobicContact CE1-CG2 4.47Å; Y30-T54 HydrophobicContact CE2-CG2 3.51Å; Y30-T54 HydrophobicContact CG-CG2 3.85Å; Y30-T54 WeakPolarHBondContact O-CG2 3.23Å; C33-T54 HydrophobicContact CB-CG2 3.52Å; R34-T54 HydrophobicContact CB-CG2 4.38Å; F38-T54 WeakPolarHBondContact CD2-OG1 3.17Å; F46-T54 WeakPolarHBondContact CZ-OG1 3.29Å; K50-T54 VanDerWaalsContact O-CB 3.28Å; K50-T54 WeakPolarHBondContact O-CB 3.46Å; K50-T54 PolarHBondContact O-N 3.5Å; K50-T54 PolarHBondContact O-OG1 3.48Å; A51-T54 PolarHBondContact O-N 3.45Å; M52-T54 PolarHBondContact O-N 3.5Å; T54-S58 VanDerWaalsContact O-CB 3.24Å; T54-S58 WeakPolarHBondContact O-CB 3.24Å; T54-S58 PolarHBondContact O-N 2.91Å; T54-S58 PolarHBondContact O-OG 3.37Å
55G92.8Very high91.1Very high29 Ų2964 Ų6430%0.29935%0.347SS..Hα-helixtrans-62.3-45.317600000112.9A51 M52 L53 S58 G59A51-G55 PolarHBondContact O-N 2.98Å; M52-G55 PolarHBondContact O-N 3.39Å; L53-G55 VanDerWaalsContact C-N 3.3Å; L53-G55 PolarHBondContact O-N 3.19Å; G55-S58 PolarHBondContact O-OG 3.02Å; G55-S58 VanDerWaalsContact O-OG 3.08Å; G55-G59 PolarHBondContact O-N 3.41Å
56V93.5Very high90.5Very high104 Ų10461.2 Ų61.263%0.6333%0.331SS*.Hα-helixtrans-64.9-47.9177.4173.40000111.3M52 L53 G59 A60M52-V56 WeakPolarHBondContact O-CG2 3.48Å; M52-V56 PolarHBondContact O-N 2.91Å; L53-V56 PolarHBondContact O-N 3.43Å; V56-G59 PolarHBondContact O-N 3.27Å; V56-A60 WeakPolarHBondContact O-CB 3.1Å; V56-A60 PolarHBondContact O-N 3.45Å
57L92.6Very high90Very high75 Ų7561.7 Ų61.739%0.39334%0.341SS..Hα-helixtrans-64.4-46.3-179.6-77.8165.3000112.1F38 L53 G59 A60 L61F38-L57 HydrophobicContact CE2-CD1 3.68Å; F38-L57 HydrophobicContact CZ-CD1 3.65Å; L53-L57 WeakPolarHBondContact O-CB 3.33Å; L53-L57 WeakPolarHBondContact O-CG 3.46Å; L53-L57 PolarHBondContact O-N 2.93Å; L57-G59 VanDerWaalsContact C-N 3.34Å; L57-G59 PolarHBondContact O-N 2.94Å; L57-A60 PolarHBondContact O-N 3.27Å; L57-L61 WeakPolarHBondContact O-CB 3.46Å; L57-L61 WeakPolarHBondContact O-CG 3.4Å; L57-L61 PolarHBondContact O-N 3.41Å
58S92.4Very high89.3Confident1 Ų164.3 Ų64.31%0.00736%0.356CS..Hα-helixtrans-62.9-40.5176.358.60000112.2T54 G55 A62T54-S58 VanDerWaalsContact O-CB 3.24Å; T54-S58 WeakPolarHBondContact O-CB 3.24Å; T54-S58 PolarHBondContact O-N 2.91Å; T54-S58 PolarHBondContact O-OG 3.37Å; G55-S58 PolarHBondContact O-OG 3.02Å; G55-S58 VanDerWaalsContact O-OG 3.08Å; S58-A62 WeakPolarHBondContact O-CB 3.47Å; S58-A62 PolarHBondContact O-N 2.83Å
59G89.1Confident88.4Confident15 Ų1561.7 Ų61.716%0.15535%0.345CS..Hα-helixtrans-61.8-45.2174.200000112.7G55 V56 L57 Q63G55-G59 PolarHBondContact O-N 3.41Å; V56-G59 PolarHBondContact O-N 3.27Å; L57-G59 VanDerWaalsContact C-N 3.34Å; L57-G59 PolarHBondContact O-N 2.94Å; G59-Q63 VanDerWaalsContact O-CB 3.3Å; G59-Q63 WeakPolarHBondContact O-CB 3.32Å; G59-Q63 PolarHBondContact O-N 3.37Å
60A90.5Very high87.7Confident60 Ų6057 Ų5750%0.49633%0.331SS..Hα-helixtrans-65.4-45.8179.400000112.3V56 L57 Q63 F64V56-A60 WeakPolarHBondContact O-CB 3.1Å; V56-A60 PolarHBondContact O-N 3.45Å; L57-A60 PolarHBondContact O-N 3.27Å; A60-Q63 PolarHBondContact O-N 3.1Å; A60-F64 PolarHBondContact O-N 2.85Å
61L88.9Confident86.9Confident87 Ų8761.2 Ų61.246%0.45535%0.354SS..Hα-helixtrans-67.6-42.9177.8-72171.8000111.9I29 L57 Q63 F64 V65I29-L61 HydrophobicContact CD1-CB 3.89Å; I29-L61 HydrophobicContact CG2-CB 4.16Å; I29-L61 HydrophobicContact CG2-CD1 3.8Å; L57-L61 WeakPolarHBondContact O-CB 3.46Å; L57-L61 WeakPolarHBondContact O-CG 3.4Å; L57-L61 PolarHBondContact O-N 3.41Å; L61-Q63 VanDerWaalsContact C-N 3.29Å; L61-Q63 PolarHBondContact O-N 3.39Å; L61-F64 WeakPolarHBondContact O-CB 3.37Å; L61-F64 PolarHBondContact O-N 2.93Å; L61-F64 VanDerWaalsContact O-N 3.15Å; L61-V65 WeakPolarHBondContact O-CG2 3.3Å; L61-V65 PolarHBondContact O-N 2.96Å
62A87.7Confident86.2Confident1 Ų164.9 Ų64.91%0.00837%0.369CS..Hα-helixtrans-60.3-40.9174.300000111.2Y22 F25 R26 I29 S58 F64 V65 A66Y22-A62 HydrophobicContact CE2-CB 4.38Å; F25-A62 HydrophobicContact CB-CB 4.15Å; R26-A62 HydrophobicContact CB-CB 4.11Å; I29-A62 HydrophobicContact CD1-CB 4.14Å; S58-A62 WeakPolarHBondContact O-CB 3.47Å; S58-A62 PolarHBondContact O-N 2.83Å; A62-F64 VanDerWaalsContact C-N 3.35Å; A62-V65 PolarHBondContact O-N 3.09Å; A62-A66 VanDerWaalsContact O-CB 3.3Å; A62-A66 WeakPolarHBondContact O-CB 3.35Å; A62-A66 PolarHBondContact O-N 2.88Å
63Q85.9Confident85.3Confident83 Ų8362.5 Ų62.539%0.38836%0.355SS..Hα-helixtrans-65.5-37.9175.4-171.361.439.700111.8G59 A60 L61 A66 S67 D70G59-Q63 VanDerWaalsContact O-CB 3.3Å; G59-Q63 WeakPolarHBondContact O-CB 3.32Å; G59-Q63 PolarHBondContact O-N 3.37Å; A60-Q63 PolarHBondContact O-N 3.1Å; L61-Q63 VanDerWaalsContact C-N 3.29Å; L61-Q63 PolarHBondContact O-N 3.39Å; Q63-A66 PolarHBondContact O-N 2.95Å; Q63-S67 WeakPolarHBondContact O-CB 3.28Å; Q63-S67 PolarHBondContact O-N 3.37Å; Q63-D70 PolarHBondContact NE2-OD2 2.86Å
64F86.3Confident84.5Confident160 Ų16063.1 Ų63.170%0.70236%0.362SS*.Hα-helixtrans-62.7-42.4176.2-171.4-98.9000111.8A60 L61 A62 S67 P68A60-F64 PolarHBondContact O-N 2.85Å; L61-F64 WeakPolarHBondContact O-CB 3.37Å; L61-F64 PolarHBondContact O-N 2.93Å; L61-F64 VanDerWaalsContact O-N 3.15Å; A62-F64 VanDerWaalsContact C-N 3.35Å; F64-S67 WeakPolarHBondContact O-CB 3.15Å; F64-S67 PolarHBondContact O-N 3.11Å; F64-P68 VanDerWaalsContact O-CD 3.25Å; F64-P68 WeakPolarHBondContact O-CD 3.25Å
65V80.4Confident83.9Confident66 Ų6668.1 Ų68.140%0.439%0.388SS..Hα-helixtrans-70.1-33.8175.1177.70000112F25 L61 A62 P68F25-V65 HydrophobicContact CD1-CG1 4.24Å; F25-V65 HydrophobicContact CD2-CG1 4.33Å; F25-V65 HydrophobicContact CE1-CG1 3.97Å; F25-V65 HydrophobicContact CE2-CG1 4.07Å; F25-V65 HydrophobicContact CG-CG1 4.43Å; F25-V65 HydrophobicContact CZ-CG1 3.88Å; L61-V65 WeakPolarHBondContact O-CG2 3.3Å; L61-V65 PolarHBondContact O-N 2.96Å; A62-V65 PolarHBondContact O-N 3.09Å; V65-P68 WeakPolarHBondContact O-CD 3.34Å
66A79.8Confident83.2Confident10 Ų1071.9 Ų71.98%0.08340%0.401CS..Hα-helixtrans-73.8-26.8175.800000112.8A62 Q63 T69 D70A62-A66 VanDerWaalsContact O-CB 3.3Å; A62-A66 WeakPolarHBondContact O-CB 3.35Å; A62-A66 PolarHBondContact O-N 2.88Å; Q63-A66 PolarHBondContact O-N 2.95Å; A66-T69 WeakPolarHBondContact O-CA 3.01Å; A66-T69 VanDerWaalsContact O-CB 3.28Å; A66-T69 WeakPolarHBondContact O-CB 3.47Å; A66-T69 PolarHBondContact O-N 2.81Å; A66-D70 PolarHBondContact O-N 3.48Å
67S80.6Confident82.5Confident57 Ų5772.8 Ų72.840%0.39940%0.398SS..Hα-helixtrans-55.8-44.4-173.2-165.30000114.2Q63 F64 T69 D70 L71Q63-S67 WeakPolarHBondContact O-CB 3.28Å; Q63-S67 PolarHBondContact O-N 3.37Å; F64-S67 WeakPolarHBondContact O-CB 3.15Å; F64-S67 PolarHBondContact O-N 3.11Å; S67-T69 VanDerWaalsContact C-N 3.28Å; S67-T69 PolarHBondContact O-N 2.91Å; S67-D70 PolarHBondContact O-N 3.31Å; S67-L71 WeakPolarHBondContact O-CB 3.38Å; S67-L71 PolarHBondContact O-N 2.91Å
68P79.2Confident81.8Confident76 Ų7671.9 Ų71.949%0.49440%0.402SS..Hα-helixtrans-58.6-38.7172.2-23.632.4000113.1F64 V65 L71 I72F64-P68 VanDerWaalsContact O-CD 3.25Å; F64-P68 WeakPolarHBondContact O-CD 3.25Å; V65-P68 WeakPolarHBondContact O-CD 3.34Å; P68-L71 PolarHBondContact O-N 3.19Å; P68-I72 VanDerWaalsContact O-CG1 3.28Å; P68-I72 WeakPolarHBondContact O-CG1 3.44Å; P68-I72 PolarHBondContact O-N 2.63Å
69T74.9Confident80.9Confident76 Ų7677 Ų7747%0.46643%0.425SS..Hα-helixtrans-68.9-40.5179.1-51.50000110.8A66 S67 L71 I72 K73A66-T69 WeakPolarHBondContact O-CA 3.01Å; A66-T69 VanDerWaalsContact O-CB 3.28Å; A66-T69 WeakPolarHBondContact O-CB 3.47Å; A66-T69 PolarHBondContact O-N 2.81Å; S67-T69 VanDerWaalsContact C-N 3.28Å; S67-T69 PolarHBondContact O-N 2.91Å; T69-L71 VanDerWaalsContact C-N 3.33Å; T69-I72 PolarHBondContact O-N 2.98Å; T69-K73 WeakPolarHBondContact O-CB 3.47Å; T69-K73 PolarHBondContact O-N 2.89Å
70D78Confident80.3Confident48 Ų4877.9 Ų77.926%0.25744%0.435SS..Hα-helixtrans-64-39.9173.6-74.6-27.5000110.9Q63 A66 S67 K73 V74Q63-D70 PolarHBondContact NE2-OD2 2.86Å; A66-D70 PolarHBondContact O-N 3.48Å; S67-D70 PolarHBondContact O-N 3.31Å; D70-K73 WeakPolarHBondContact O-CB 3.35Å; D70-K73 PolarHBondContact O-N 2.72Å; D70-V74 WeakPolarHBondContact O-CG2 3.42Å; D70-V74 PolarHBondContact O-N 3.19Å
71L77.4Confident79.5Confident112 Ų11282.6 Ų82.659%0.58644%0.44SS*.Hα-helixtrans-63.4-47.7177.2-145.184.7000111.8S67 P68 T69 K73 V74 L75S67-L71 WeakPolarHBondContact O-CB 3.38Å; S67-L71 PolarHBondContact O-N 2.91Å; P68-L71 PolarHBondContact O-N 3.19Å; T69-L71 VanDerWaalsContact C-N 3.33Å; L71-K73 VanDerWaalsContact C-N 3.27Å; L71-K73 PolarHBondContact O-N 2.84Å; L71-V74 PolarHBondContact O-N 2.93Å; L71-L75 WeakPolarHBondContact O-CG 3.5Å; L71-L75 PolarHBondContact O-N 2.89Å
72I77.7Confident78.6Confident101 Ų10181.7 Ų81.752%0.51843%0.43SS..Hα-helixtrans-59.3-41.4176.3-69.4164.9000110.4P68 T69 L75 L76P68-I72 VanDerWaalsContact O-CG1 3.28Å; P68-I72 WeakPolarHBondContact O-CG1 3.44Å; P68-I72 PolarHBondContact O-N 2.63Å; T69-I72 PolarHBondContact O-N 2.98Å; I72-L75 PolarHBondContact O-N 3.45Å; I72-L76 HydrophobicContact CG2-CD1 3.93Å; I72-L76 WeakPolarHBondContact O-CB 3.48Å; I72-L76 PolarHBondContact O-N 3.31Å
73K75.4Confident77.9Confident73 Ų7390.1 Ų90.132%0.31747%0.467SS..Hα-helixtrans-63.1-43.3176.6-176-178.3177.3-1770112.1T69 D70 L71 L75 L76 Q77T69-K73 WeakPolarHBondContact O-CB 3.47Å; T69-K73 PolarHBondContact O-N 2.89Å; D70-K73 WeakPolarHBondContact O-CB 3.35Å; D70-K73 PolarHBondContact O-N 2.72Å; L71-K73 VanDerWaalsContact C-N 3.27Å; L71-K73 PolarHBondContact O-N 2.84Å; K73-L75 VanDerWaalsContact C-N 3.33Å; K73-L76 PolarHBondContact O-N 2.97Å; K73-Q77 WeakPolarHBondContact O-CB 3.48Å; K73-Q77 WeakPolarHBondContact O-CG 3.44Å; K73-Q77 PolarHBondContact O-N 3.08Å
74V78.1Confident77.3Confident91 Ų9193.6 Ų93.655%0.55249%0.487SS*.Hα-helixtrans-64-40.3177.2171.80000110.8D70 L71 Q77 A78D70-V74 WeakPolarHBondContact O-CG2 3.42Å; D70-V74 PolarHBondContact O-N 3.19Å; L71-V74 PolarHBondContact O-N 2.93Å; V74-Q77 PolarHBondContact O-N 2.87Å; V74-A78 WeakPolarHBondContact O-CB 3.36Å; V74-A78 PolarHBondContact O-N 3.25Å
75L80.4Confident77Confident105 Ų10591 Ų9155%0.5548%0.477SS..Hα-helixtrans-61.3-48.9174.7-71.3168.8000111.6L71 I72 K73 Q77 A78 E79L71-L75 WeakPolarHBondContact O-CG 3.5Å; L71-L75 PolarHBondContact O-N 2.89Å; I72-L75 PolarHBondContact O-N 3.45Å; K73-L75 VanDerWaalsContact C-N 3.33Å; L75-Q77 VanDerWaalsContact C-N 3.33Å; L75-Q77 PolarHBondContact O-N 3.48Å; L75-A78 PolarHBondContact O-N 2.89Å; L75-E79 PolarHBondContact O-N 2.88Å
76L78.9Confident76.8Confident109 Ų10991.1 Ų91.157%0.57149%0.492SS*.Hα-helixtrans-59.1-41.6175.5-91.7153.7000112.5I72 K73 G80I72-L76 HydrophobicContact CG2-CD1 3.93Å; I72-L76 WeakPolarHBondContact O-CB 3.48Å; I72-L76 PolarHBondContact O-N 3.31Å; K73-L76 PolarHBondContact O-N 2.97Å; L76-G80 PolarHBondContact O-N 3.13Å
77Q78.1Confident76.5Confident122 Ų12294.6 Ų94.657%0.5751%0.509SS*.Hα-helixtrans-66.5-39.5175.8-76-175.4-1100112K73 V74 L75 G80 R81K73-Q77 WeakPolarHBondContact O-CB 3.48Å; K73-Q77 WeakPolarHBondContact O-CG 3.44Å; K73-Q77 PolarHBondContact O-N 3.08Å; V74-Q77 PolarHBondContact O-N 2.87Å; L75-Q77 VanDerWaalsContact C-N 3.33Å; L75-Q77 PolarHBondContact O-N 3.48Å; Q77-G80 PolarHBondContact O-N 2.86Å; Q77-R81 WeakPolarHBondContact O-CB 3Å; Q77-R81 PolarHBondContact O-N 2.87Å
78A77.1Confident75.8Confident56 Ų5696.3 Ų96.346%0.46352%0.518SS..Hα-helixtrans-66.2-41.8176.500000112.1V74 L75 R81 R82V74-A78 WeakPolarHBondContact O-CB 3.36Å; V74-A78 PolarHBondContact O-N 3.25Å; L75-A78 PolarHBondContact O-N 2.89Å; A78-R81 PolarHBondContact O-N 3.38Å; A78-R82 PolarHBondContact O-N 3.47Å
79E75.4Confident75Confident108 Ų10897.9 Ų97.951%0.50553%0.528SS..Hα-helixtrans-64.7-44.5173.4-77.8-173.6162.800112.3L75 R81 R82 K83L75-E79 PolarHBondContact O-N 2.88Å; E79-R81 VanDerWaalsContact C-N 3.28Å; E79-R81 PolarHBondContact O-N 2.8Å; E79-R82 PolarHBondContact O-N 3.08Å; E79-K83 PolarHBondContact O-N 3.49Å
80G75.2Confident74.4Confident34 Ų34106.7 Ų106.735%0.35155%0.553SS.*Hα-helixtrans-57.9-43.1175.400000111.6L76 Q77 K83 L84L76-G80 PolarHBondContact O-N 3.13Å; Q77-G80 PolarHBondContact O-N 2.86Å; G80-K83 PolarHBondContact O-N 2.87Å; G80-L84 WeakPolarHBondContact O-CG 3.45Å; G80-L84 PolarHBondContact O-N 3.33Å; G80-L84 VanDerWaalsContact O-N 3.1Å
81R73.2Confident74.2Confident160 Ų160109.6 Ų109.660%0.60457%0.568SS**Hα-helixtrans-64.5-41.2176-156.4175.2-166.7-77.7-4.9112.3Q77 A78 E79 L84 E85Q77-R81 WeakPolarHBondContact O-CB 3Å; Q77-R81 PolarHBondContact O-N 2.87Å; A78-R81 PolarHBondContact O-N 3.38Å; E79-R81 VanDerWaalsContact C-N 3.28Å; E79-R81 PolarHBondContact O-N 2.8Å; R81-L84 WeakPolarHBondContact O-CB 3.42Å; R81-L84 PolarHBondContact O-N 2.74Å; R81-E85 IonicContact CZ-OE1 3.19Å; R81-E85 IonicContact NH1-OE1 3.93Å; R81-E85 PolarHBondContact NH1-OE1 2.99Å; R81-E85 WeakPolarHBondContact O-CG 3.41Å; R81-E85 PolarHBondContact O-N 3.37Å; R81-E85 VanDerWaalsContact O-N 3.09Å
82R71Confident74.1Confident68 Ų68109.5 Ų109.526%0.25757%0.567SS.*Hα-helixtrans-62.6-42.2174.3-94.9-162.6172.3-158.53.5113.3A78 E79 L84 E85 G86 L87 P88A78-R82 PolarHBondContact O-N 3.47Å; E79-R82 PolarHBondContact O-N 3.08Å; R82-L84 VanDerWaalsContact C-N 3.28Å; R82-L84 PolarHBondContact O-N 2.96Å; R82-E85 CarbonylContact O-C 3.54Å; R82-E85 PolarHBondContact O-N 3.47Å; R82-E85 VanDerWaalsContact O-N 3.14Å; R82-G86 PolarHBondContact O-N 3.37Å; R82-L87 HydrophobicContact CB-CB 4.42Å; R82-L87 HydrophobicContact CG-CB 4.22Å; R82-L87 HydrophobicContact CG-CD1 4.42Å; R82-L87 PolarHBondContact O-N 3.19Å; R82-L87 VanDerWaalsContact O-N 3.09Å; R82-P88 PolarHBondContact NH1-O 3.06Å
83K72.3Confident73.9Confident177 Ų177109.9 Ų109.977%0.7757%0.57SS**Hα-helixtrans-59.7-40.9175.2-93.9-173.6174.7179.40111.6E79 G80 E85 G86E79-K83 PolarHBondContact O-N 3.49Å; G80-K83 PolarHBondContact O-N 2.87Å; K83-E85 VanDerWaalsContact C-N 3.29Å; K83-E85 PolarHBondContact O-N 3.41Å; K83-G86 PolarHBondContact O-N 2.88Å
84L74.2Confident73.8Confident156 Ų156112.1 Ų112.182%0.81759%0.585SS**Hα-helixtrans-65-33.2175.7-69.9166.5000112.5G80 R81 R82 G86G80-L84 WeakPolarHBondContact O-CG 3.45Å; G80-L84 PolarHBondContact O-N 3.33Å; G80-L84 VanDerWaalsContact O-N 3.1Å; R81-L84 WeakPolarHBondContact O-CB 3.42Å; R81-L84 PolarHBondContact O-N 2.74Å; R82-L84 VanDerWaalsContact C-N 3.28Å; R82-L84 PolarHBondContact O-N 2.96Å; L84-G86 VanDerWaalsContact C-N 3.28Å; L84-G86 PolarHBondContact O-N 3.14Å
85E78.8Confident73.5Confident105 Ų105113.4 Ų113.449%0.49159%0.587SS.*THydrogen-bonded Turntrans-82.41.2176.9-69.5173.9171.100113.6R81 R82 K83 L87R81-E85 IonicContact CZ-OE1 3.19Å; R81-E85 IonicContact NH1-OE1 3.93Å; R81-E85 PolarHBondContact NH1-OE1 2.99Å; R81-E85 WeakPolarHBondContact O-CG 3.41Å; R81-E85 PolarHBondContact O-N 3.37Å; R81-E85 VanDerWaalsContact O-N 3.09Å; R82-E85 CarbonylContact O-C 3.54Å; R82-E85 PolarHBondContact O-N 3.47Å; R82-E85 VanDerWaalsContact O-N 3.14Å; K83-E85 VanDerWaalsContact C-N 3.29Å; K83-E85 PolarHBondContact O-N 3.41Å; E85-L87 HydrophobicContact CB-CD1 4.09Å; E85-L87 HydrophobicContact CB-CG 4.39Å; E85-L87 PolarHBondContact O-N 2.95Å
86G77.3Confident73.1Confident69 Ų69114 Ų11471%0.71159%0.589SS**THydrogen-bonded Turntrans70.113.8-179.300000114.6R82 K83 L84R82-G86 PolarHBondContact O-N 3.37Å; K83-G86 PolarHBondContact O-N 2.88Å; L84-G86 VanDerWaalsContact C-N 3.28Å; L84-G86 PolarHBondContact O-N 3.14Å
87L73.5Confident72.6Confident84 Ų84114.4 Ų114.444%0.4459%0.59SS.*PPolyproline II helixtrans-84.9144.1179.9-72.9163.6000110.8R82 E85R82-L87 HydrophobicContact CB-CB 4.42Å; R82-L87 HydrophobicContact CG-CB 4.22Å; R82-L87 HydrophobicContact CG-CD1 4.42Å; R82-L87 PolarHBondContact O-N 3.19Å; R82-L87 VanDerWaalsContact O-N 3.09Å; E85-L87 HydrophobicContact CB-CD1 4.09Å; E85-L87 HydrophobicContact CB-CG 4.39Å; E85-L87 PolarHBondContact O-N 2.95Å
88P64.8Low72.2Confident92 Ų92113.8 Ų113.860%0.59759%0.592SS**PPolyproline II helixtrans-62.8150.1176.424.2-31.4000111.9R82R82-P88 PolarHBondContact NH1-O 3.06Å
89P64.2Low71.8Confident109 Ų109118.6 Ų118.671%0.70860%0.603SS**PPolyproline II helixtrans-57.2147.6175.324-31.5000110.6
90R61.8Low71.5Confident261 Ų261119.5 Ų119.599%0.98561%0.612SS**  trans-71.10179.6-78.5-168.8107.1119.10.4111.6

Retrieved 90 of 90 residues in 19.1 ms (Link to these results)