A0A5K4F6L6_SCHMA Loading...

Ovule protein

AlphaFold DB , UniProt , Accession A0A5K4F6L6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 66 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
1M64.6Low73.9Confident212 Ų212126.1 Ų126.1100%1.04465%0.653SS**  0-39.30-109.7-178.3-71.600112.8V3M1-V3 PolarHBondContact O-N 3.32Å
2E73Confident73.9Confident170 Ų170128.1 Ų128.179%0.79465%0.653SS**Hα-helixtrans-69.6-27.1-177.2-64.8177.212400115S5 A6E2-S5 PolarHBondContact O-OG 2.92Å; E2-A6 PolarHBondContact O-N 3.26Å
3V74.2Confident73.7Confident123 Ų123128.4 Ų128.475%0.74565%0.65SS**Hα-helixtrans-69.6-38.1-178.5-176.70000112.1M1 A6 L7M1-V3 PolarHBondContact O-N 3.32Å; V3-A6 PolarHBondContact O-N 3.43Å; V3-L7 WeakPolarHBondContact O-CB 3.31Å; V3-L7 PolarHBondContact O-N 3.1Å
4E73.8Confident73.6Confident143 Ų143128.8 Ų128.867%0.66865%0.645SS**Hα-helixtrans-70.1-33.6-179.2-66.3-166.1130.200112.9L7 R8E4-L7 PolarHBondContact O-N 3.03Å; E4-R8 PolarHBondContact O-N 2.98Å
5S77.8Confident73.2Confident76 Ų76125.9 Ų125.953%0.53163%0.631SS.*Hα-helixtrans-71-39.4176.660.80000111.4E2 R8 S9E2-S5 PolarHBondContact O-OG 2.92Å; S5-R8 PolarHBondContact O-N 2.75Å; S5-S9 WeakPolarHBondContact O-CB 3.34Å; S5-S9 PolarHBondContact O-N 3.17Å
6A75.7Confident73Confident51 Ų51125.4 Ų125.442%0.42163%0.63SS.*Hα-helixtrans-62-43.317300000111.4E2 V3 S9 M10E2-A6 PolarHBondContact O-N 3.26Å; V3-A6 PolarHBondContact O-N 3.43Å; A6-S9 PolarHBondContact O-N 3.4Å; A6-M10 WeakPolarHBondContact O-CG 3.05Å; A6-M10 PolarHBondContact O-N 2.89Å
7L72.9Confident72.4Confident111 Ų111125.3 Ų125.358%0.58163%0.627SS**Hα-helixtrans-61.1-47.6177.7-166.375.3000111.9V3 E4 S9 M10 E11V3-L7 WeakPolarHBondContact O-CB 3.31Å; V3-L7 PolarHBondContact O-N 3.1Å; E4-L7 PolarHBondContact O-N 3.03Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 3.45Å; L7-M10 PolarHBondContact O-N 3.24Å; L7-E11 PolarHBondContact O-N 3.3Å
8R75.5Confident71.7Confident176 Ų176119 Ų11966%0.66460%0.598SS**Hα-helixtrans-65.1-33.5176.8-78-176.9-171.5-101.13.3113.1E4 S5 K12E4-R8 PolarHBondContact O-N 2.98Å; S5-R8 PolarHBondContact O-N 2.75Å; R8-K12 WeakPolarHBondContact O-CG 2.91Å; R8-K12 PolarHBondContact O-N 3.37Å
9S78.1Confident71.2Confident78 Ų78120.2 Ų120.255%0.54560%0.599SS.*Hα-helixtrans-67.1-45.5175.5-169.50000110.9S5 A6 L7 K12 H13S5-S9 WeakPolarHBondContact O-CB 3.34Å; S5-S9 PolarHBondContact O-N 3.17Å; A6-S9 PolarHBondContact O-N 3.4Å; L7-S9 VanDerWaalsContact C-N 3.31Å; L7-S9 PolarHBondContact O-N 3.45Å; S9-K12 PolarHBondContact O-N 3Å; S9-H13 PolarHBondContact O-N 3.49Å; S9-H13 VanDerWaalsContact O-N 3.12Å
10M73.2Confident70.7Confident135 Ų135118.5 Ų118.567%0.66560%0.599SS**Hα-helixtrans-61.6-42.6175-77.3-18053.700112.3A6 L7 K12 H13 F14A6-M10 WeakPolarHBondContact O-CG 3.05Å; A6-M10 PolarHBondContact O-N 2.89Å; L7-M10 PolarHBondContact O-N 3.24Å; M10-K12 PolarHBondContact O-N 3.42Å; M10-H13 PolarHBondContact O-N 3.15Å; M10-F14 WeakPolarHBondContact O-CB 3.47Å; M10-F14 PolarHBondContact O-N 2.98Å
11E74.6Confident70.1Confident112 Ų112116.6 Ų116.652%0.52359%0.593SS.*Hα-helixtrans-56.8-48.5175.5-99-174.3145.700111.9L7 H13 F14 I15L7-E11 PolarHBondContact O-N 3.3Å; E11-H13 PolarHBondContact O-N 2.92Å; E11-F14 PolarHBondContact O-N 2.91Å; E11-I15 WeakPolarHBondContact O-CB 3.25Å; E11-I15 WeakPolarHBondContact O-CD1 3.48Å; E11-I15 WeakPolarHBondContact O-CG1 3.36Å; E11-I15 PolarHBondContact O-N 3.48Å
12K73.2Confident69.7Low150 Ų150107.5 Ų107.565%0.65255%0.55SS**Hα-helixtrans-62.3-43.8-179.6-73.2179.6-178.3-177.50111.9R8 S9 M10 I15 I16R8-K12 WeakPolarHBondContact O-CG 2.91Å; R8-K12 PolarHBondContact O-N 3.37Å; S9-K12 PolarHBondContact O-N 3Å; M10-K12 PolarHBondContact O-N 3.42Å; K12-I15 PolarHBondContact O-N 2.93Å; K12-I16 WeakPolarHBondContact O-CG1 3.24Å; K12-I16 PolarHBondContact O-N 3.49Å
13H72Confident69Low132 Ų132110.6 Ų110.661%0.61156%0.555SS**Hα-helixtrans-66.4-40.8-179.7-144.3-83000111.2S9 M10 E11 I16 E17S9-H13 PolarHBondContact O-N 3.49Å; S9-H13 VanDerWaalsContact O-N 3.12Å; M10-H13 PolarHBondContact O-N 3.15Å; E11-H13 PolarHBondContact O-N 2.92Å; H13-I16 PolarHBondContact O-N 3.34Å; H13-E17 WeakPolarHBondContact O-CG 3.09Å; H13-E17 PolarHBondContact O-N 2.95Å
14F71.8Confident68.5Low134 Ų134109.2 Ų109.259%0.58855%0.551SS**Hα-helixtrans-64.4-42.5176.5-171.7-101000112.1M10 E11 I16 E17 A18M10-F14 WeakPolarHBondContact O-CB 3.47Å; M10-F14 PolarHBondContact O-N 2.98Å; E11-F14 PolarHBondContact O-N 2.91Å; F14-I16 PolarHBondContact O-N 2.87Å; F14-E17 PolarHBondContact O-N 3.33Å; F14-A18 WeakPolarHBondContact O-CB 3.27Å; F14-A18 PolarHBondContact O-N 2.92Å
15I67.9Low68.3Low85 Ų85105.1 Ų105.144%0.43654%0.535SS..Hα-helixtrans-60.6-45.1178-69.9164.3000111E11 K12 A18 F19E11-I15 WeakPolarHBondContact O-CB 3.25Å; E11-I15 WeakPolarHBondContact O-CD1 3.48Å; E11-I15 WeakPolarHBondContact O-CG1 3.36Å; E11-I15 PolarHBondContact O-N 3.48Å; K12-I15 PolarHBondContact O-N 2.93Å; I15-A18 WeakPolarHBondContact O-CB 3.4Å; I15-A18 PolarHBondContact O-N 3.45Å; I15-F19 HydrophobicContact CG2-CD2 3.67Å; I15-F19 HydrophobicContact CG2-CE2 3.76Å; I15-F19 VanDerWaalsContact O-CD2 3.28Å; I15-F19 WeakPolarHBondContact O-CD2 3.33Å; I15-F19 PolarHBondContact O-N 3.5Å
16I69.2Low68.2Low118 Ų118105.5 Ų105.561%0.60554%0.536SS*.Hα-helixtrans-64.6-45.4-179-65.2167.6000111.3K12 H13 F14 F19 S20K12-I16 WeakPolarHBondContact O-CG1 3.24Å; K12-I16 PolarHBondContact O-N 3.49Å; H13-I16 PolarHBondContact O-N 3.34Å; F14-I16 PolarHBondContact O-N 2.87Å; I16-F19 PolarHBondContact O-N 2.91Å; I16-S20 PolarHBondContact O-N 2.93Å
17E63.4Low68.3Low124 Ų124109.9 Ų109.958%0.57955%0.551SS**Hα-helixtrans-61.6-44.6176.6-75.2-109.7115.600111.5H13 F14 F19 S20 V21H13-E17 WeakPolarHBondContact O-CG 3.09Å; H13-E17 PolarHBondContact O-N 2.95Å; F14-E17 PolarHBondContact O-N 3.33Å; E17-F19 VanDerWaalsContact C-N 3.35Å; E17-F19 PolarHBondContact O-N 2.9Å; E17-S20 WeakPolarHBondContact O-CB 3.3Å; E17-S20 PolarHBondContact O-N 3.37Å; E17-S20 VanDerWaalsContact O-N 3.16Å; E17-V21 WeakPolarHBondContact O-CG2 3.28Å; E17-V21 PolarHBondContact O-N 3.29Å
18A60.5Low68.7Low12 Ų12108.3 Ų108.310%0.09955%0.546CS..Hα-helixtrans-57.2-43.5174.200000113.1F14 I15 S22 F29F14-A18 WeakPolarHBondContact O-CB 3.27Å; F14-A18 PolarHBondContact O-N 2.92Å; I15-A18 WeakPolarHBondContact O-CB 3.4Å; I15-A18 PolarHBondContact O-N 3.45Å; A18-S22 VanDerWaalsContact O-CB 3.25Å; A18-S22 WeakPolarHBondContact O-CB 3.33Å; A18-S22 PolarHBondContact O-N 3.39Å; A18-S22 PolarHBondContact O-OG 2.97Å; A18-F29 HydrophobicContact CB-CD2 3.75Å; A18-F29 HydrophobicContact CB-CE2 3.2Å; A18-F29 HydrophobicContact CB-CZ 3.96Å
19F61.6Low68.9Low142 Ų142102.9 Ų102.962%0.62353%0.528SS*.Hα-helixtrans-67.3-36.9175.9-93.9-77.2000112.3I15 I16 E17 S22I15-F19 HydrophobicContact CG2-CD2 3.67Å; I15-F19 HydrophobicContact CG2-CE2 3.76Å; I15-F19 VanDerWaalsContact O-CD2 3.28Å; I15-F19 WeakPolarHBondContact O-CD2 3.33Å; I15-F19 PolarHBondContact O-N 3.5Å; I16-F19 PolarHBondContact O-N 2.91Å; E17-F19 VanDerWaalsContact C-N 3.35Å; E17-F19 PolarHBondContact O-N 2.9Å; F19-S22 WeakPolarHBondContact O-CB 3.42Å; F19-S22 PolarHBondContact O-N 3.42Å
20S60.4Low69.2Low86 Ų86104 Ų10460%0.60153%0.527SS*.Hα-helixtrans-66.3-46.7177.6-169.90000111.7I16 E17 S22 R23I16-S20 PolarHBondContact O-N 2.93Å; E17-S20 WeakPolarHBondContact O-CB 3.3Å; E17-S20 PolarHBondContact O-N 3.37Å; E17-S20 VanDerWaalsContact O-N 3.16Å; S20-S22 VanDerWaalsContact C-N 3.33Å; S20-S22 PolarHBondContact O-N 2.91Å; S20-R23 PolarHBondContact O-N 3.18Å
21V59.4Low69.7Low79 Ų79104.3 Ų104.348%0.47953%0.525SS..Hα-helixtrans-67.5-33175.4173.30000111.7E17 R23 S24 T25E17-V21 WeakPolarHBondContact O-CG2 3.28Å; E17-V21 PolarHBondContact O-N 3.29Å; V21-R23 PolarHBondContact O-N 3.43Å; V21-S24 PolarHBondContact O-N 3.45Å; V21-S24 PolarHBondContact O-OG 3.28Å; V21-S24 VanDerWaalsContact O-OG 3.1Å; V21-T25 PolarHBondContact O-N 3.47Å
22S55.3Low70.3Confident20 Ų20101.6 Ų101.614%0.1452%0.516CS..Hα-helixtrans-59.7-25.8177.3-75.40000114.3A18 F19 S20 S24 P26 F29A18-S22 VanDerWaalsContact O-CB 3.25Å; A18-S22 WeakPolarHBondContact O-CB 3.33Å; A18-S22 PolarHBondContact O-N 3.39Å; A18-S22 PolarHBondContact O-OG 2.97Å; F19-S22 WeakPolarHBondContact O-CB 3.42Å; F19-S22 PolarHBondContact O-N 3.42Å; S20-S22 VanDerWaalsContact C-N 3.33Å; S20-S22 PolarHBondContact O-N 2.91Å; S22-S24 PolarHBondContact O-N 3.16Å; S22-P26 WeakPolarHBondContact O-CD 3.19Å; S22-F29 WeakPolarHBondContact OG-CB 3.18Å; S22-F29 WeakPolarHBondContact OG-CD1 3.44Å; S22-F29 WeakPolarHBondContact OG-CG 3.5Å
23R57.9Low70.9Confident236 Ų23697.9 Ų97.989%0.89151%0.506SS*.THydrogen-bonded Turntrans-64.4-29179.9-97.4-176168.5-179.6-2.2113.1S20 V21S20-R23 PolarHBondContact O-N 3.18Å; V21-R23 PolarHBondContact O-N 3.43Å
24S64.8Low71.6Confident94 Ų9495.6 Ų95.666%0.65750%0.497SS*.THydrogen-bonded Turntrans-97.1-28.7-179.559.70000113.1V21 S22V21-S24 PolarHBondContact O-N 3.45Å; V21-S24 PolarHBondContact O-OG 3.28Å; V21-S24 VanDerWaalsContact O-OG 3.1Å; S22-S24 PolarHBondContact O-N 3.16Å
25T69.7Low72.3Confident56 Ų5695 Ų9534%0.34450%0.495SS..  trans-147.168-174.551.90000111.9V21 L27 V28 F29V21-T25 PolarHBondContact O-N 3.47Å; T25-L27 PolarHBondContact O-N 3.11Å; T25-V28 HydrophobicContact CG2-CG2 4.35Å; T25-V28 PolarHBondContact O-N 2.85Å; T25-F29 PolarHBondContact O-N 2.87Å
26P74Confident73.2Confident84 Ų8494.3 Ų94.355%0.54549%0.494SS..Hα-helixtrans-57.2-27.6-177.623.8-34.3000112.9S22 L30S22-P26 WeakPolarHBondContact O-CD 3.19Å; P26-L30 VanDerWaalsContact O-CB 3.31Å; P26-L30 WeakPolarHBondContact O-CB 3.48Å; P26-L30 PolarHBondContact O-N 3.43Å
27L78.7Confident73.9Confident143 Ų14395.2 Ų95.275%0.74949%0.494SS*.Hα-helixtrans-64.6-41.5173.9-75.5157.9000113.2T25 L30 F31T25-L27 PolarHBondContact O-N 3.11Å; L27-L30 PolarHBondContact O-N 3.46Å; L27-F31 WeakPolarHBondContact O-CB 3.27Å; L27-F31 PolarHBondContact O-N 2.92Å
28V80.9Confident74.9Confident79 Ų7993.7 Ų93.748%0.47949%0.489SS..Hα-helixtrans-69.5-42179.5177.30000109.7T25 F31 T32T25-V28 HydrophobicContact CG2-CG2 4.35Å; T25-V28 PolarHBondContact O-N 2.85Å; V28-F31 PolarHBondContact O-N 3.43Å; V28-T32 PolarHBondContact O-N 2.91Å; V28-T32 PolarHBondContact O-OG1 3.3Å
29F80.9Confident75.8Confident62 Ų6296.7 Ų96.727%0.27251%0.506SS..Hα-helixtrans-60.7-48174.6175.4-111.5000112.1A18 S22 T25 F31 T32 V33A18-F29 HydrophobicContact CB-CD2 3.75Å; A18-F29 HydrophobicContact CB-CE2 3.2Å; A18-F29 HydrophobicContact CB-CZ 3.96Å; S22-F29 WeakPolarHBondContact OG-CB 3.18Å; S22-F29 WeakPolarHBondContact OG-CD1 3.44Å; S22-F29 WeakPolarHBondContact OG-CG 3.5Å; T25-F29 PolarHBondContact O-N 2.87Å; F29-F31 VanDerWaalsContact C-N 3.29Å; F29-F31 PolarHBondContact O-N 3.35Å; F29-T32 PolarHBondContact O-N 2.76Å; F29-T32 VanDerWaalsContact O-N 3.15Å; F29-V33 HydrophobicContact CD1-CG2 4.34Å; F29-V33 HydrophobicContact CD2-CG2 4.09Å; F29-V33 HydrophobicContact CE1-CG2 3.87Å; F29-V33 HydrophobicContact CE2-CG2 3.49Å; F29-V33 VanDerWaalsContact CE2-CG2 3.49Å; F29-V33 HydrophobicContact CG-CG2 4.47Å; F29-V33 HydrophobicContact CZ-CG2 3.41Å; F29-V33 VanDerWaalsContact CZ-CG2 3.41Å; F29-V33 WeakPolarHBondContact O-CG2 3.49Å; F29-V33 PolarHBondContact O-N 2.99Å
30L84.2Confident76.7Confident101 Ų10192.4 Ų92.453%0.52949%0.493SS..Hα-helixtrans-59-41.8176.9-174.3128.2000111.4P26 L27 V33 I34P26-L30 VanDerWaalsContact O-CB 3.31Å; P26-L30 WeakPolarHBondContact O-CB 3.48Å; P26-L30 PolarHBondContact O-N 3.43Å; L27-L30 PolarHBondContact O-N 3.46Å; L30-V33 PolarHBondContact O-N 3.45Å; L30-I34 HydrophobicContact CD2-CD1 3.54Å; L30-I34 HydrophobicContact CG-CD1 4.03Å; L30-I34 VanDerWaalsContact O-CG1 3.24Å; L30-I34 WeakPolarHBondContact O-CG1 3.38Å; L30-I34 PolarHBondContact O-N 3.18Å
31F83.7Confident77.6Confident141 Ų14193.2 Ų93.262%0.61849%0.49SS*.Hα-helixtrans-61.7-44.9174.5-174.2-96.6000112.2L27 V28 F29 V33 I34 F35L27-F31 WeakPolarHBondContact O-CB 3.27Å; L27-F31 PolarHBondContact O-N 2.92Å; V28-F31 PolarHBondContact O-N 3.43Å; F29-F31 VanDerWaalsContact C-N 3.29Å; F29-F31 PolarHBondContact O-N 3.35Å; F31-V33 PolarHBondContact O-N 2.85Å; F31-I34 PolarHBondContact O-N 3.4Å; F31-F35 WeakPolarHBondContact O-CB 3.38Å; F31-F35 PolarHBondContact O-N 2.88Å
32T85.7Confident78.3Confident56 Ų5692.9 Ų92.934%0.34449%0.491SS..Hα-helixtrans-62.5-43.1177.4-58.20000111.8V28 F29 F35 V36V28-T32 PolarHBondContact O-N 2.91Å; V28-T32 PolarHBondContact O-OG1 3.3Å; F29-T32 PolarHBondContact O-N 2.76Å; F29-T32 VanDerWaalsContact O-N 3.15Å; T32-F35 PolarHBondContact O-N 3.17Å; T32-V36 HydrophobicContact CG2-CG2 4.43Å; T32-V36 VanDerWaalsContact O-CG2 3.3Å; T32-V36 WeakPolarHBondContact O-CG2 3.33Å; T32-V36 PolarHBondContact O-N 2.92Å
33V86.8Confident79.3Confident71 Ų7195 Ų9543%0.4351%0.506SS..Hα-helixtrans-63.6-44.8177.3173.20000111.1F29 L30 F31 F35 V36 F37F29-V33 HydrophobicContact CD1-CG2 4.34Å; F29-V33 HydrophobicContact CD2-CG2 4.09Å; F29-V33 HydrophobicContact CE1-CG2 3.87Å; F29-V33 HydrophobicContact CE2-CG2 3.49Å; F29-V33 VanDerWaalsContact CE2-CG2 3.49Å; F29-V33 HydrophobicContact CG-CG2 4.47Å; F29-V33 HydrophobicContact CZ-CG2 3.41Å; F29-V33 VanDerWaalsContact CZ-CG2 3.41Å; F29-V33 WeakPolarHBondContact O-CG2 3.49Å; F29-V33 PolarHBondContact O-N 2.99Å; L30-V33 PolarHBondContact O-N 3.45Å; F31-V33 PolarHBondContact O-N 2.85Å; V33-F35 VanDerWaalsContact C-N 3.34Å; V33-F35 PolarHBondContact O-N 3.41Å; V33-V36 PolarHBondContact O-N 3.42Å; V33-F37 WeakPolarHBondContact O-CB 3.38Å; V33-F37 PolarHBondContact O-N 3.48Å
34I86.8Confident79.8Confident84 Ų8490.3 Ų90.343%0.43149%0.493SS..Hα-helixtrans-61.6-44.4176.3-68.5166.8000110.4L30 F31 F37 I38L30-I34 HydrophobicContact CD2-CD1 3.54Å; L30-I34 HydrophobicContact CG-CD1 4.03Å; L30-I34 VanDerWaalsContact O-CG1 3.24Å; L30-I34 WeakPolarHBondContact O-CG1 3.38Å; L30-I34 PolarHBondContact O-N 3.18Å; F31-I34 PolarHBondContact O-N 3.4Å; I34-F37 PolarHBondContact O-N 3.47Å; I34-I38 HydrophobicContact CG2-CD1 3.73Å; I34-I38 HydrophobicContact CG2-CG1 4.41Å; I34-I38 VanDerWaalsContact O-CG1 3.27Å; I34-I38 WeakPolarHBondContact O-CG1 3.25Å; I34-I38 PolarHBondContact O-N 3.45Å
35F85.9Confident79.7Confident122 Ų12289.1 Ų89.154%0.53548%0.484SS..Hα-helixtrans-61.7-48.7178.9-178-97.9000111.9F31 T32 V33 F37 I38 V39F31-F35 WeakPolarHBondContact O-CB 3.38Å; F31-F35 PolarHBondContact O-N 2.88Å; T32-F35 PolarHBondContact O-N 3.17Å; V33-F35 VanDerWaalsContact C-N 3.34Å; V33-F35 PolarHBondContact O-N 3.41Å; F35-F37 VanDerWaalsContact C-N 3.32Å; F35-F37 PolarHBondContact O-N 3.45Å; F35-I38 PolarHBondContact O-N 3.12Å; F35-V39 HydrophobicContact CD1-CG2 4.26Å; F35-V39 HydrophobicContact CE1-CG2 3.86Å; F35-V39 HydrophobicContact CE2-CG2 4.32Å; F35-V39 HydrophobicContact CZ-CG2 3.9Å; F35-V39 WeakPolarHBondContact O-CG2 3.14Å; F35-V39 PolarHBondContact O-N 3.33Å
36V86.5Confident79.3Confident70 Ų7089.7 Ų89.742%0.42449%0.49SS..Hα-helixtrans-60.6-43.4176.9172.80000110.5T32 V33 I38 V39 S40T32-V36 HydrophobicContact CG2-CG2 4.43Å; T32-V36 VanDerWaalsContact O-CG2 3.3Å; T32-V36 WeakPolarHBondContact O-CG2 3.33Å; T32-V36 PolarHBondContact O-N 2.92Å; V33-V36 PolarHBondContact O-N 3.42Å; V36-I38 PolarHBondContact O-N 2.94Å; V36-V39 PolarHBondContact O-N 3.45Å; V36-S40 WeakPolarHBondContact O-CB 3.35Å; V36-S40 PolarHBondContact O-N 3.2Å; V36-S40 PolarHBondContact O-OG 3.34Å; V36-S40 VanDerWaalsContact O-OG 3.11Å
37F85.7Confident78.5Confident138 Ų13890 Ų9061%0.60549%0.486SS*.Hα-helixtrans-60.6-43.7177.5-173.7-98.5000112.5V33 I34 F35 S40 L41V33-F37 WeakPolarHBondContact O-CB 3.38Å; V33-F37 PolarHBondContact O-N 3.48Å; I34-F37 PolarHBondContact O-N 3.47Å; F35-F37 VanDerWaalsContact C-N 3.32Å; F35-F37 PolarHBondContact O-N 3.45Å; F37-S40 PolarHBondContact O-N 2.91Å; F37-L41 HydrophobicContact CE1-CD2 4.48Å; F37-L41 VanDerWaalsContact O-CB 3.27Å; F37-L41 WeakPolarHBondContact O-CB 3.42Å; F37-L41 PolarHBondContact O-N 3.34Å
38I83.3Confident77.4Confident91 Ų9187.8 Ų87.847%0.46748%0.475SS..Hα-helixtrans-63.3-44.5177-69166.8000111.1I34 F35 V36 L41 S42I34-I38 HydrophobicContact CG2-CD1 3.73Å; I34-I38 HydrophobicContact CG2-CG1 4.41Å; I34-I38 VanDerWaalsContact O-CG1 3.27Å; I34-I38 WeakPolarHBondContact O-CG1 3.25Å; I34-I38 PolarHBondContact O-N 3.45Å; F35-I38 PolarHBondContact O-N 3.12Å; V36-I38 PolarHBondContact O-N 2.94Å; I38-L41 PolarHBondContact O-N 3.43Å; I38-S42 WeakPolarHBondContact O-CB 3.38Å; I38-S42 PolarHBondContact O-N 2.92Å; I38-S42 PolarHBondContact O-OG 3.05Å
39V80.1Confident76.2Confident75 Ų7589.2 Ų89.246%0.45548%0.479SS..Hα-helixtrans-64.8-46.1178.9172.20000110.6F35 V36 S42 S43F35-V39 HydrophobicContact CD1-CG2 4.26Å; F35-V39 HydrophobicContact CE1-CG2 3.86Å; F35-V39 HydrophobicContact CE2-CG2 4.32Å; F35-V39 HydrophobicContact CZ-CG2 3.9Å; F35-V39 WeakPolarHBondContact O-CG2 3.14Å; F35-V39 PolarHBondContact O-N 3.33Å; V36-V39 PolarHBondContact O-N 3.45Å; V39-S42 PolarHBondContact O-N 3.26Å; V39-S43 WeakPolarHBondContact O-CB 3.49Å; V39-S43 PolarHBondContact O-N 3.29Å
40S80.6Confident75.2Confident52 Ų5290.1 Ų90.136%0.36449%0.49SS..Hα-helixtrans-59.8-48.1176-67.10000111.2V36 F37 S42 S43 F44V36-S40 WeakPolarHBondContact O-CB 3.35Å; V36-S40 PolarHBondContact O-N 3.2Å; V36-S40 PolarHBondContact O-OG 3.34Å; V36-S40 VanDerWaalsContact O-OG 3.11Å; F37-S40 PolarHBondContact O-N 2.91Å; S40-S42 VanDerWaalsContact C-N 3.32Å; S40-S42 PolarHBondContact O-N 2.92Å; S40-S43 WeakPolarHBondContact O-CB 3.46Å; S40-S43 PolarHBondContact O-N 3.23Å; S40-F44 WeakPolarHBondContact O-CD2 3.49Å; S40-F44 PolarHBondContact O-N 2.88Å
41L78.6Confident73.9Confident103 Ų10388.7 Ų88.754%0.53949%0.485SS..Hα-helixtrans-60.5-42.2178.3-172.467.7000111.7F37 I38 S43 F44 C45F37-L41 HydrophobicContact CE1-CD2 4.48Å; F37-L41 VanDerWaalsContact O-CB 3.27Å; F37-L41 WeakPolarHBondContact O-CB 3.42Å; F37-L41 PolarHBondContact O-N 3.34Å; I38-L41 PolarHBondContact O-N 3.43Å; L41-S43 VanDerWaalsContact C-N 3.33Å; L41-S43 PolarHBondContact O-N 3.41Å; L41-F44 PolarHBondContact O-N 2.99Å; L41-C45 VanDerWaalsContact O-CB 3.25Å; L41-C45 WeakPolarHBondContact O-CB 3.4Å; L41-C45 PolarHBondContact O-N 2.88Å
42S74.2Confident72.5Confident72 Ų7289.4 Ų89.450%0.50349%0.485SS..Hα-helixtrans-63.2-40.2176.7-56.70000111.7I38 V39 S40 C45 S46I38-S42 WeakPolarHBondContact O-CB 3.38Å; I38-S42 PolarHBondContact O-N 2.92Å; I38-S42 PolarHBondContact O-OG 3.05Å; V39-S42 PolarHBondContact O-N 3.26Å; S40-S42 VanDerWaalsContact C-N 3.32Å; S40-S42 PolarHBondContact O-N 2.92Å; S42-C45 PolarHBondContact O-N 2.98Å; S42-S46 WeakPolarHBondContact O-CB 3.47Å; S42-S46 PolarHBondContact O-N 3.48Å
43S75.3Confident71.2Confident65 Ų6589.7 Ų89.746%0.45549%0.489SS..Hα-helixtrans-65.3-47.9175.9-169.80000111.7V39 S40 L41 C45 S46 I47V39-S43 WeakPolarHBondContact O-CB 3.49Å; V39-S43 PolarHBondContact O-N 3.29Å; S40-S43 WeakPolarHBondContact O-CB 3.46Å; S40-S43 PolarHBondContact O-N 3.23Å; L41-S43 VanDerWaalsContact C-N 3.33Å; L41-S43 PolarHBondContact O-N 3.41Å; S43-C45 VanDerWaalsContact C-N 3.33Å; S43-C45 PolarHBondContact O-N 3.2Å; S43-S46 WeakPolarHBondContact O-CB 3.25Å; S43-S46 PolarHBondContact O-N 2.93Å; S43-I47 WeakPolarHBondContact O-CG1 3.46Å; S43-I47 PolarHBondContact O-N 2.83Å
44F70Confident69.9Low137 Ų13789.4 Ų89.460%0.60149%0.49SS*.Hα-helixtrans-59.2-43.9175.1-81.8-69000111.7S40 L41 S46 I47 D48S40-F44 WeakPolarHBondContact O-CD2 3.49Å; S40-F44 PolarHBondContact O-N 2.88Å; L41-F44 PolarHBondContact O-N 2.99Å; F44-S46 VanDerWaalsContact C-N 3.32Å; F44-S46 PolarHBondContact O-N 3.43Å; F44-I47 PolarHBondContact O-N 2.93Å; F44-D48 PolarHBondContact O-N 3.41Å
45C61.5Low68.7Low69 Ų6988.4 Ų88.447%0.46649%0.49SS..Hα-helixtrans-65.3-36.5178.3-149.70000111.8L41 S42 S43 D48 I49L41-C45 VanDerWaalsContact O-CB 3.25Å; L41-C45 WeakPolarHBondContact O-CB 3.4Å; L41-C45 PolarHBondContact O-N 2.88Å; S42-C45 PolarHBondContact O-N 2.98Å; S43-C45 VanDerWaalsContact C-N 3.33Å; S43-C45 PolarHBondContact O-N 3.2Å; C45-D48 PolarHBondContact O-N 2.78Å; C45-I49 VanDerWaalsContact O-CG1 3.25Å; C45-I49 WeakPolarHBondContact O-CG1 3.33Å; C45-I49 PolarHBondContact O-N 3.25Å
46S61.4Low67.6Low68 Ų6886.9 Ų86.948%0.47649%0.487SS..Hα-helixtrans-65.8-41.3173.5-173.50000112.3S42 S43 F44 I49 T50S42-S46 WeakPolarHBondContact O-CB 3.47Å; S42-S46 PolarHBondContact O-N 3.48Å; S43-S46 WeakPolarHBondContact O-CB 3.25Å; S43-S46 PolarHBondContact O-N 2.93Å; F44-S46 VanDerWaalsContact C-N 3.32Å; F44-S46 PolarHBondContact O-N 3.43Å; S46-I49 PolarHBondContact O-N 3.47Å; S46-T50 WeakPolarHBondContact O-CG2 3.38Å; S46-T50 PolarHBondContact O-N 3.01Å; S46-T50 PolarHBondContact O-OG1 3.49Å
47I57.9Low66.4Low91 Ų9188.2 Ų88.247%0.46749%0.491SS..Hα-helixtrans-63-44.3174.6-66.2164.2000110.1S43 F44 T50 T51S43-I47 WeakPolarHBondContact O-CG1 3.46Å; S43-I47 PolarHBondContact O-N 2.83Å; F44-I47 PolarHBondContact O-N 2.93Å; I47-T50 PolarHBondContact O-N 2.75Å; I47-T50 PolarHBondContact O-OG1 3.03Å; I47-T51 VanDerWaalsContact O-CB 3.26Å; I47-T51 WeakPolarHBondContact O-CB 3.32Å; I47-T51 PolarHBondContact O-N 2.71Å; I47-T51 PolarHBondContact O-OG1 3.48Å
48D55.4Low65.2Low96 Ų9685.5 Ų85.551%0.51349%0.488SS..Hα-helixtrans-62.6-45.5176.9-89.1-34.2000111.7F44 C45 T50 T51 Y52F44-D48 PolarHBondContact O-N 3.41Å; C45-D48 PolarHBondContact O-N 2.78Å; D48-T50 PolarHBondContact O-N 2.69Å; D48-T51 PolarHBondContact O-N 3.05Å; D48-Y52 VanDerWaalsContact O-CB 3.24Å; D48-Y52 WeakPolarHBondContact O-CB 3.26Å; D48-Y52 PolarHBondContact O-N 3.47Å
49I56.5Low64.5Low110 Ų11087.4 Ų87.456%0.56450%0.499SS*.Hα-helixtrans-65.3-41.8-179.9-67.1164.1000111.5C45 S46 S53C45-I49 VanDerWaalsContact O-CG1 3.25Å; C45-I49 WeakPolarHBondContact O-CG1 3.33Å; C45-I49 PolarHBondContact O-N 3.25Å; S46-I49 PolarHBondContact O-N 3.47Å; I49-S53 WeakPolarHBondContact O-CB 3.47Å; I49-S53 PolarHBondContact O-N 3.44Å
50T59.5Low63.6Low81 Ų8188.4 Ų88.450%0.49750%0.501SS..Hα-helixtrans-68.3-39.3178.751.40000111.8S46 I47 D48 S54S46-T50 WeakPolarHBondContact O-CG2 3.38Å; S46-T50 PolarHBondContact O-N 3.01Å; S46-T50 PolarHBondContact O-OG1 3.49Å; I47-T50 PolarHBondContact O-N 2.75Å; I47-T50 PolarHBondContact O-OG1 3.03Å; D48-T50 PolarHBondContact O-N 2.69Å; T50-S54 WeakPolarHBondContact O-CB 3.24Å; T50-S54 PolarHBondContact O-N 3.39Å; T50-S54 PolarHBondContact O-OG 2.93Å
51T56.8Low62.9Low70 Ų7092.4 Ų92.443%0.42951%0.513SS..Hα-helixtrans-71.2-39.6176.7-49.40000111.5I47 D48 S54 S55I47-T51 VanDerWaalsContact O-CB 3.26Å; I47-T51 WeakPolarHBondContact O-CB 3.32Å; I47-T51 PolarHBondContact O-N 2.71Å; I47-T51 PolarHBondContact O-OG1 3.48Å; D48-T51 PolarHBondContact O-N 3.05Å; T51-S54 WeakPolarHBondContact CA-OG 3.15Å; T51-S54 PolarHBondContact O-OG 2.89Å; T51-S55 VanDerWaalsContact O-CB 3.31Å; T51-S55 WeakPolarHBondContact O-CB 3.47Å; T51-S55 PolarHBondContact O-N 3.25Å; T51-S55 PolarHBondContact O-OG 3.28Å
52Y53.8Low62.4Low156 Ų15691.2 Ų91.261%0.61251%0.514SS*.Hα-helixtrans-67.1-43.6174-108.1-90.3000111.9D48 S54 S55 I56D48-Y52 VanDerWaalsContact O-CB 3.24Å; D48-Y52 WeakPolarHBondContact O-CB 3.26Å; D48-Y52 PolarHBondContact O-N 3.47Å; Y52-S54 VanDerWaalsContact C-N 3.34Å; Y52-S54 PolarHBondContact O-N 3.44Å; Y52-S55 PolarHBondContact O-N 3.29Å; Y52-I56 HydrophobicContact CD1-CD1 3.95Å; Y52-I56 HydrophobicContact CD1-CG1 4.34Å; Y52-I56 VanDerWaalsContact O-CB 3.32Å; Y52-I56 WeakPolarHBondContact O-CB 3.36Å; Y52-I56 WeakPolarHBondContact O-CG1 3.35Å; Y52-I56 PolarHBondContact O-N 2.93Å
53S57.6Low62.4Low62 Ų6294 Ų9443%0.43452%0.523SS..Hα-helixtrans-60.7-45.1178.1-179.80000110.9I49 I56 L57I49-S53 WeakPolarHBondContact O-CB 3.47Å; I49-S53 PolarHBondContact O-N 3.44Å; S53-I56 PolarHBondContact O-N 2.88Å; S53-L57 WeakPolarHBondContact O-CB 3.21Å; S53-L57 WeakPolarHBondContact O-CD1 3.26Å; S53-L57 WeakPolarHBondContact O-CG 3.31Å; S53-L57 PolarHBondContact O-N 2.99Å
54S59.9Low61.9Low66 Ų6698 Ų9846%0.46254%0.538SS..Hα-helixtrans-66.7-37.9175.545.70000112.9T50 T51 Y52 C58T50-S54 WeakPolarHBondContact O-CB 3.24Å; T50-S54 PolarHBondContact O-N 3.39Å; T50-S54 PolarHBondContact O-OG 2.93Å; T51-S54 WeakPolarHBondContact CA-OG 3.15Å; T51-S54 PolarHBondContact O-OG 2.89Å; Y52-S54 VanDerWaalsContact C-N 3.34Å; Y52-S54 PolarHBondContact O-N 3.44Å; S54-C58 VanDerWaalsContact O-CB 3.25Å; S54-C58 WeakPolarHBondContact O-CB 3.25Å; S54-C58 PolarHBondContact O-N 2.83Å
55S63.1Low61.7Low62 Ų6298.5 Ų98.543%0.43455%0.548SS..Hα-helixtrans-66.6-45.1175.4-55.90000112.1T51 Y52 C58 L59T51-S55 VanDerWaalsContact O-CB 3.31Å; T51-S55 WeakPolarHBondContact O-CB 3.47Å; T51-S55 PolarHBondContact O-N 3.25Å; T51-S55 PolarHBondContact O-OG 3.28Å; Y52-S55 PolarHBondContact O-N 3.29Å; S55-C58 PolarHBondContact O-N 3.45Å; S55-L59 WeakPolarHBondContact O-CB 3.44Å; S55-L59 PolarHBondContact O-N 3.5Å
56I61.8Low61.4Low90 Ų90104.8 Ų104.846%0.46258%0.576SS.*Hα-helixtrans-64-44.4176.2-69.3167.1000109.9Y52 S53 C58 L59 I60Y52-I56 HydrophobicContact CD1-CD1 3.95Å; Y52-I56 HydrophobicContact CD1-CG1 4.34Å; Y52-I56 VanDerWaalsContact O-CB 3.32Å; Y52-I56 WeakPolarHBondContact O-CB 3.36Å; Y52-I56 WeakPolarHBondContact O-CG1 3.35Å; Y52-I56 PolarHBondContact O-N 2.93Å; S53-I56 PolarHBondContact O-N 2.88Å; I56-C58 VanDerWaalsContact C-N 3.32Å; I56-C58 PolarHBondContact O-N 2.9Å; I56-L59 PolarHBondContact O-N 2.86Å; I56-I60 HydrophobicContact CG2-CD1 3.73Å; I56-I60 HydrophobicContact CG2-CG1 4.39Å; I56-I60 VanDerWaalsContact O-CG1 3.26Å; I56-I60 WeakPolarHBondContact O-CG1 3.4Å; I56-I60 PolarHBondContact O-N 2.66Å
57L60.6Low61.4Low99 Ų99106.6 Ų106.652%0.51858%0.581SS.*Hα-helixtrans-59.1-43.5173.8-86.2161.3000111.6S53 L59 I60 H61S53-L57 WeakPolarHBondContact O-CB 3.21Å; S53-L57 WeakPolarHBondContact O-CD1 3.26Å; S53-L57 WeakPolarHBondContact O-CG 3.31Å; S53-L57 PolarHBondContact O-N 2.99Å; L57-L59 VanDerWaalsContact C-N 3.34Å; L57-I60 PolarHBondContact O-N 3.47Å; L57-H61 WeakPolarHBondContact O-CB 3.22Å; L57-H61 PolarHBondContact O-N 2.88Å
58C60.5Low61.5Low80 Ų80107.4 Ų107.454%0.54159%0.587SS.*Hα-helixtrans-65.1-38.8177.7-159.90000111.7S54 S55 I56 H61 S62S54-C58 VanDerWaalsContact O-CB 3.25Å; S54-C58 WeakPolarHBondContact O-CB 3.25Å; S54-C58 PolarHBondContact O-N 2.83Å; S55-C58 PolarHBondContact O-N 3.45Å; I56-C58 VanDerWaalsContact C-N 3.32Å; I56-C58 PolarHBondContact O-N 2.9Å; C58-H61 PolarHBondContact O-N 3.43Å; C58-S62 WeakPolarHBondContact O-CB 3.37Å; C58-S62 PolarHBondContact O-N 3.16Å; C58-S62 PolarHBondContact O-OG 3.2Å
59L68.5Low61.9Low132 Ų132108.1 Ų108.169%0.69159%0.592SS**Hα-helixtrans-68.3-40.7178-145.9137.5000111.5S55 I56 L57 S62 D63S55-L59 WeakPolarHBondContact O-CB 3.44Å; S55-L59 PolarHBondContact O-N 3.5Å; I56-L59 PolarHBondContact O-N 2.86Å; L57-L59 VanDerWaalsContact C-N 3.34Å; L59-S62 PolarHBondContact O-N 2.73Å; L59-D63 PolarHBondContact O-N 3.34Å; L59-D63 VanDerWaalsContact O-N 3.16Å
60I63.1Low62.2Low96 Ų96107.9 Ų107.949%0.49259%0.593SS.*Hα-helixtrans-65.6-41.9172.9-65.8165.1000110.9I56 L57 S62 D63 L64I56-I60 HydrophobicContact CG2-CD1 3.73Å; I56-I60 HydrophobicContact CG2-CG1 4.39Å; I56-I60 VanDerWaalsContact O-CG1 3.26Å; I56-I60 WeakPolarHBondContact O-CG1 3.4Å; I56-I60 PolarHBondContact O-N 2.66Å; L57-I60 PolarHBondContact O-N 3.47Å; I60-S62 VanDerWaalsContact C-N 3.32Å; I60-S62 PolarHBondContact O-N 3.43Å; I60-D63 PolarHBondContact O-N 2.92Å; I60-L64 PolarHBondContact O-N 3.38Å
61H64.8Low62.4Low135 Ų135109.6 Ų109.663%0.62560%0.599SS**Hα-helixtrans-63.1-39.1177-116.1-87000112.3L57 C58 D63 L64 D65L57-H61 WeakPolarHBondContact O-CB 3.22Å; L57-H61 PolarHBondContact O-N 2.88Å; C58-H61 PolarHBondContact O-N 3.43Å; H61-D63 VanDerWaalsContact C-N 3.33Å; H61-L64 PolarHBondContact O-N 3.39Å; H61-D65 PolarHBondContact O-N 3.44Å
62S67.4Low62.7Low78 Ų78112.3 Ų112.355%0.54561%0.61SS.*Hα-helixtrans-69.4-31179.2-54.10000112.5C58 L59 I60C58-S62 WeakPolarHBondContact O-CB 3.37Å; C58-S62 PolarHBondContact O-N 3.16Å; C58-S62 PolarHBondContact O-OG 3.2Å; L59-S62 PolarHBondContact O-N 2.73Å; I60-S62 VanDerWaalsContact C-N 3.32Å; I60-S62 PolarHBondContact O-N 3.43Å
63D74.1Confident63.4Low132 Ų132109.1 Ų109.171%0.70661%0.61SS**Hα-helixtrans-76.2-29.2177.7-162.2-114.1000112.3L59 I60 H61L59-D63 PolarHBondContact O-N 3.34Å; L59-D63 VanDerWaalsContact O-N 3.16Å; I60-D63 PolarHBondContact O-N 2.92Å; H61-D63 VanDerWaalsContact C-N 3.33Å
64L66.5Low63.8Low147 Ų147112.8 Ų112.877%0.7762%0.624SS**Hα-helixtrans-83.2-20.6-178.8-131.9115.1000114.3I60 H61I60-L64 PolarHBondContact O-N 3.38Å; H61-L64 PolarHBondContact O-N 3.39Å
65D65.3Low64.2Low149 Ų149116.7 Ų116.780%0.79764%0.637SS**THydrogen-bonded Turntrans-90.23-179-134.8-22.6000113H61H61-D65 PolarHBondContact O-N 3.44Å
66N54.1Low64.3Low200 Ų200121.6 Ų121.6100%1.0766%0.656SS**  trans-117.50178.5-17475.9000111.7

Retrieved 66 of 66 residues in 35.7 ms (Link to these results)