A0A5K4F830_SCHMA Loading...

Protein Wnt

AlphaFold DB , UniProt , Accession A0A5K4F830, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 74 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
1M51.2Low58.2Low219 Ų219105.9 Ų105.9100%1.07955%0.549SS*.  0-26.10-127169.1-167.200113.3
2V50.5Low59.9Low110 Ų110112 Ų11267%0.66756%0.56SS**Hα-helixtrans-66.1-39.2-177-169.80000113.5K4 L5 F6V2-K4 PolarHBondContact O-N 3.3Å; V2-L5 PolarHBondContact O-N 3.16Å; V2-F6 HydrophobicContact CG1-CD2 4.39Å; V2-F6 PolarHBondContact O-N 3.28Å; V2-F6 VanDerWaalsContact O-N 3.11Å
3S53.8Low61.3Low75 Ų75110.2 Ų110.252%0.52456%0.563SS.*Hα-helixtrans-60.6-44.4-176.8-26.90000113.1L5 F6 F7S3-L5 VanDerWaalsContact C-N 3.3Å; S3-L5 PolarHBondContact O-N 3.17Å; S3-F6 PolarHBondContact O-N 3.12Å; S3-F7 WeakPolarHBondContact O-CB 3.48Å; S3-F7 PolarHBondContact O-N 3.09Å
4K51.1Low62.7Low173 Ų173107.3 Ų107.375%0.75254%0.544SS*.Hα-helixtrans-67-31.1-178.4-136.5161.8-168.8164.50112.8V2 S8V2-K4 PolarHBondContact O-N 3.3Å; K4-S8 WeakPolarHBondContact O-CB 3.38Å; K4-S8 PolarHBondContact O-N 3.12Å
5L49.2Very low64Low124 Ų124103.9 Ų103.965%0.64953%0.528SS*.Hα-helixtrans-76.6-41.1178.1-146.785.9000111.4V2 S3 S8 N9V2-L5 PolarHBondContact O-N 3.16Å; S3-L5 VanDerWaalsContact C-N 3.3Å; S3-L5 PolarHBondContact O-N 3.17Å; L5-S8 PolarHBondContact O-N 3.18Å; L5-N9 PolarHBondContact O-N 2.77Å; L5-N9 VanDerWaalsContact O-N 3.17Å
6F52.8Low65.2Low133 Ų133106.4 Ų106.458%0.58353%0.534SS*.Hα-helixtrans-61.6-46.7174-117.3-89.8000111.1V2 S3 S8 N9 E10V2-F6 HydrophobicContact CG1-CD2 4.39Å; V2-F6 PolarHBondContact O-N 3.28Å; V2-F6 VanDerWaalsContact O-N 3.11Å; S3-F6 PolarHBondContact O-N 3.12Å; F6-S8 VanDerWaalsContact C-N 3.28Å; F6-S8 PolarHBondContact O-N 3.25Å; F6-N9 PolarHBondContact O-N 3.38Å; F6-N9 VanDerWaalsContact O-N 3.17Å; F6-E10 PolarHBondContact O-N 3.33Å
7F58Low66.1Low53 Ų53102 Ų10223%0.23252%0.518CS..Hα-helixtrans-56.7-41.8175-124-110000112.3S3 N9 S11 L36 E41 I42S3-F7 WeakPolarHBondContact O-CB 3.48Å; S3-F7 PolarHBondContact O-N 3.09Å; F7-N9 VanDerWaalsContact C-N 3.35Å; F7-N9 PolarHBondContact O-N 3.1Å; F7-S11 WeakPolarHBondContact O-CB 3.37Å; F7-S11 PolarHBondContact O-N 3.17Å; F7-S11 PolarHBondContact O-OG 3.34Å; F7-L36 HydrophobicContact CD1-CD1 3.76Å; F7-L36 HydrophobicContact CD1-CD2 4.1Å; F7-L36 HydrophobicContact CD1-CG 4Å; F7-L36 HydrophobicContact CD2-CD1 4.44Å; F7-L36 HydrophobicContact CE1-CD1 3.16Å; F7-L36 HydrophobicContact CE1-CD2 3.92Å; F7-L36 HydrophobicContact CE1-CG 3.33Å; F7-L36 HydrophobicContact CE2-CD1 3.9Å; F7-L36 HydrophobicContact CG-CD1 4.38Å; F7-L36 HydrophobicContact CZ-CD1 3.23Å; F7-L36 HydrophobicContact CZ-CG 3.84Å; F7-E41 WeakPolarHBondContact CD2-OE2 3.45Å; F7-E41 HydrophobicContact CE1-CB 4.29Å; F7-E41 WeakPolarHBondContact CE2-OE2 3.43Å; F7-E41 HydrophobicContact CZ-CB 4.27Å; F7-I42 HydrophobicContact CD1-CD1 3.99Å; F7-I42 HydrophobicContact CD1-CG1 4.38Å; F7-I42 HydrophobicContact CE1-CD1 3.71Å; F7-I42 HydrophobicContact CE1-CG1 3.96Å
8S63.7Low67Low62 Ų6296.5 Ų96.543%0.43449%0.491SS..Hα-helixtrans-67.2-34.6-179-155.60000112.7K4 L5 F6 S11 R12K4-S8 WeakPolarHBondContact O-CB 3.38Å; K4-S8 PolarHBondContact O-N 3.12Å; L5-S8 PolarHBondContact O-N 3.18Å; F6-S8 VanDerWaalsContact C-N 3.28Å; F6-S8 PolarHBondContact O-N 3.25Å; S8-S11 WeakPolarHBondContact CA-OG 3.16Å; S8-S11 PolarHBondContact O-OG 3.34Å; S8-S11 VanDerWaalsContact O-OG 3.13Å; S8-R12 WeakPolarHBondContact O-CB 3.45Å; S8-R12 WeakPolarHBondContact O-CG 3.49Å; S8-R12 PolarHBondContact O-N 3.02Å
9N65.3Low67.5Low97 Ų9797.7 Ų97.752%0.51950%0.498SS..Hα-helixtrans-77.2-46.6177.5-73.9-25.9000112L5 F6 F7 R12 C13L5-N9 PolarHBondContact O-N 2.77Å; L5-N9 VanDerWaalsContact O-N 3.17Å; F6-N9 PolarHBondContact O-N 3.38Å; F6-N9 VanDerWaalsContact O-N 3.17Å; F7-N9 VanDerWaalsContact C-N 3.35Å; F7-N9 PolarHBondContact O-N 3.1Å; N9-R12 WeakPolarHBondContact O-CB 3.37Å; N9-R12 PolarHBondContact O-N 2.96Å; N9-C13 PolarHBondContact O-N 2.85Å
10E69.3Low67.6Low99 Ų9997 Ų9746%0.46350%0.496SS..Hα-helixtrans-62.8-44.4176.8-86.4176.4131.100111.6F6 R12 C13 F14F6-E10 PolarHBondContact O-N 3.33Å; E10-R12 VanDerWaalsContact C-N 3.27Å; E10-R12 PolarHBondContact O-N 3.32Å; E10-C13 PolarHBondContact O-N 3.31Å; E10-C13 VanDerWaalsContact O-N 3.14Å; E10-F14 HydrophobicContact CB-CD2 4.38Å; E10-F14 HydrophobicContact CB-CE2 4.07Å; E10-F14 WeakPolarHBondContact O-CD2 3.29Å; E10-F14 WeakPolarHBondContact O-CG 3.39Å; E10-F14 PolarHBondContact O-N 3.43Å
11S74.9Confident67.6Low20 Ų2096.2 Ų96.214%0.1451%0.512CS..Hα-helixtrans-60.8-35.1175.858.10000112.7F7 S8 L15F7-S11 WeakPolarHBondContact O-CB 3.37Å; F7-S11 PolarHBondContact O-N 3.17Å; F7-S11 PolarHBondContact O-OG 3.34Å; S8-S11 WeakPolarHBondContact CA-OG 3.16Å; S8-S11 PolarHBondContact O-OG 3.34Å; S8-S11 VanDerWaalsContact O-OG 3.13Å; S11-L15 VanDerWaalsContact O-CB 3.3Å; S11-L15 WeakPolarHBondContact O-CB 3.48Å; S11-L15 WeakPolarHBondContact O-CD1 3.25Å; S11-L15 VanDerWaalsContact O-CG 3.28Å; S11-L15 WeakPolarHBondContact O-CG 3.32Å; S11-L15 PolarHBondContact O-N 3.41Å
12R79Confident68.5Low179 Ų17990.9 Ų90.968%0.67549%0.488SS*.Hα-helixtrans-65.5-44.3172.6-91.1-177.3175.3-169.6-1112.8S8 N9 E10 F14 L15 F16S8-R12 WeakPolarHBondContact O-CB 3.45Å; S8-R12 WeakPolarHBondContact O-CG 3.49Å; S8-R12 PolarHBondContact O-N 3.02Å; N9-R12 WeakPolarHBondContact O-CB 3.37Å; N9-R12 PolarHBondContact O-N 2.96Å; E10-R12 VanDerWaalsContact C-N 3.27Å; E10-R12 PolarHBondContact O-N 3.32Å; R12-F14 VanDerWaalsContact C-N 3.34Å; R12-L15 PolarHBondContact O-N 2.85Å; R12-F16 PolarHBondContact O-N 3.41Å
13C77.7Confident69.5Low89 Ų8989.1 Ų89.160%0.60148%0.48SS*.Hα-helixtrans-61.8-44.4176.1-70.90000111.1N9 E10 F16 A17N9-C13 PolarHBondContact O-N 2.85Å; E10-C13 PolarHBondContact O-N 3.31Å; E10-C13 VanDerWaalsContact O-N 3.14Å; C13-F16 PolarHBondContact O-N 2.71Å; C13-A17 WeakPolarHBondContact O-CB 3.35Å; C13-A17 PolarHBondContact O-N 2.91Å
14F81.1Confident70.2Confident69 Ų6993.3 Ų93.330%0.30349%0.489SS..Hα-helixtrans-65.4-40.1175.6-66.7-53.6000112.4E10 R12 F16 A17 A18 A29 A32 L33E10-F14 HydrophobicContact CB-CD2 4.38Å; E10-F14 HydrophobicContact CB-CE2 4.07Å; E10-F14 WeakPolarHBondContact O-CD2 3.29Å; E10-F14 WeakPolarHBondContact O-CG 3.39Å; E10-F14 PolarHBondContact O-N 3.43Å; R12-F14 VanDerWaalsContact C-N 3.34Å; F14-F16 VanDerWaalsContact C-N 3.29Å; F14-F16 PolarHBondContact O-N 3.48Å; F14-A17 PolarHBondContact O-N 3.45Å; F14-A18 WeakPolarHBondContact O-CB 3.41Å; F14-A18 PolarHBondContact O-N 2.77Å; F14-A29 HydrophobicContact CB-CB 4.41Å; F14-A29 HydrophobicContact CD1-CB 4.16Å; F14-A32 HydrophobicContact CD1-CB 4.23Å; F14-A32 HydrophobicContact CE1-CB 4.12Å; F14-A32 HydrophobicContact CE2-CB 4.45Å; F14-A32 HydrophobicContact CG-CB 4.46Å; F14-A32 HydrophobicContact CZ-CB 4.24Å; F14-L33 HydrophobicContact CB-CD1 4.19Å; F14-L33 HydrophobicContact CB-CD2 3.89Å; F14-L33 HydrophobicContact CB-CG 3.82Å
15L82.1Confident71.1Confident57 Ų5787.5 Ų87.530%0.29847%0.473SS..Hα-helixtrans-59.9-40.7174.2-84.6162.5000111.8S11 R12 N19 L33 W51S11-L15 VanDerWaalsContact O-CB 3.3Å; S11-L15 WeakPolarHBondContact O-CB 3.48Å; S11-L15 WeakPolarHBondContact O-CD1 3.25Å; S11-L15 VanDerWaalsContact O-CG 3.28Å; S11-L15 WeakPolarHBondContact O-CG 3.32Å; S11-L15 PolarHBondContact O-N 3.41Å; R12-L15 PolarHBondContact O-N 2.85Å; L15-N19 WeakPolarHBondContact O-CB 3.37Å; L15-N19 PolarHBondContact O-N 3Å; L15-N19 PolarHBondContact O-ND2 3.35Å; L15-L33 HydrophobicContact CD2-CD1 4.29Å; L15-L33 HydrophobicContact CG-CD1 4.34Å; L15-L33 HydrophobicContact CG-CD2 4.41Å; L15-W51 HydrophobicContact CD2-CH2 3.99Å; L15-W51 HydrophobicContact CD2-CZ2 3.62Å
16F83Confident72.7Confident144 Ų14482.1 Ų82.163%0.63245%0.445SS*.Hα-helixtrans-68-45.1177.2-165.7-95.4000111.4R12 C13 F14 N19 N20R12-F16 PolarHBondContact O-N 3.41Å; C13-F16 PolarHBondContact O-N 2.71Å; F14-F16 VanDerWaalsContact C-N 3.29Å; F14-F16 PolarHBondContact O-N 3.48Å; F16-N19 PolarHBondContact O-N 3.11Å; F16-N20 VanDerWaalsContact CE1-ND2 3.27Å; F16-N20 WeakPolarHBondContact CE1-ND2 3.17Å; F16-N20 PolarHBondContact O-N 3.26Å
17A81.9Confident74.3Confident31 Ų3177.2 Ų77.226%0.25643%0.425SS..Hα-helixtrans-65.4-39.4177.800000112.9C13 F14 N19 N20 A29C13-A17 WeakPolarHBondContact O-CB 3.35Å; C13-A17 PolarHBondContact O-N 2.91Å; F14-A17 PolarHBondContact O-N 3.45Å; A17-N19 PolarHBondContact O-N 3.23Å; A17-N20 PolarHBondContact O-N 3.4Å; A17-A29 HydrophobicContact CB-CB 3.7Å
18A80.8Confident75.6Confident3 Ų378.5 Ų78.53%0.02544%0.441CS..Hα-helixtrans-70.3-15177.800000113.6F14 C26 A29 Q30 L33 W51F14-A18 WeakPolarHBondContact O-CB 3.41Å; F14-A18 PolarHBondContact O-N 2.77Å; A18-C26 PolarHBondContact O-SG 3.16Å; A18-A29 HydrophobicContact CB-CB 3.87Å; A18-Q30 HydrophobicContact CB-CG 3.72Å; A18-Q30 PolarHBondContact O-NE2 3.3Å; A18-L33 HydrophobicContact CB-CD1 3.81Å; A18-W51 HydrophobicContact CB-CH2 4.25Å; A18-W51 HydrophobicContact CB-CZ3 3.83Å
19N76.8Confident76.8Confident119 Ų11975.7 Ų75.764%0.63642%0.421SS*.Hα-helixtrans-104.7-12.2174.2-74.2-55.4000112.8L15 F16 A17L15-N19 WeakPolarHBondContact O-CB 3.37Å; L15-N19 PolarHBondContact O-N 3Å; L15-N19 PolarHBondContact O-ND2 3.35Å; F16-N19 PolarHBondContact O-N 3.11Å; A17-N19 PolarHBondContact O-N 3.23Å
20N70.8Confident78Confident84 Ų8471.7 Ų71.745%0.44940%0.399SS..SBendtrans-81.3130.7174.4-97-1.5000110F16 A17 D22 C26F16-N20 VanDerWaalsContact CE1-ND2 3.27Å; F16-N20 WeakPolarHBondContact CE1-ND2 3.17Å; F16-N20 PolarHBondContact O-N 3.26Å; A17-N20 PolarHBondContact O-N 3.4Å; N20-D22 PolarHBondContact O-N 3.36Å; N20-C26 PolarHBondContact O-SG 3.34Å; N20-C26 VanDerWaalsContact O-SG 3.35Å
21G66.7Low78.9Confident80 Ų8067.2 Ų67.283%0.82538%0.379SS*.SBendtrans-67.911.2-17100000116.9S23G21-S23 PolarHBondContact O-N 2.96Å; G21-S23 VanDerWaalsContact O-N 3.13Å
22D69.9Low79.6Confident108 Ų10867.6 Ų67.658%0.57838%0.383SS*.  trans-77.996.3170.9-168.4-32000108.9N20 K24 A25 C26N20-D22 PolarHBondContact O-N 3.36Å; D22-K24 VanDerWaalsContact C-N 3.25Å; D22-K24 PolarHBondContact O-N 3.34Å; D22-A25 HydrophobicContact CB-CB 4.3Å; D22-A25 PolarHBondContact O-N 3.23Å; D22-A25 VanDerWaalsContact O-N 3.08Å; D22-C26 VanDerWaalsContact O-CB 3.22Å; D22-C26 WeakPolarHBondContact O-CB 3.38Å; D22-C26 PolarHBondContact O-N 3.11Å
23S70.9Confident80.1Confident72 Ų7259.1 Ų59.150%0.50335%0.351SS..Hα-helixtrans-49.2-39.5-16755.80000114.3G21 C26 I27G21-S23 PolarHBondContact O-N 2.96Å; G21-S23 VanDerWaalsContact O-N 3.13Å; S23-C26 WeakPolarHBondContact O-CB 3.46Å; S23-I27 VanDerWaalsContact O-CD1 3.24Å; S23-I27 WeakPolarHBondContact O-CD1 3.38Å; S23-I27 WeakPolarHBondContact O-CG1 3.24Å; S23-I27 PolarHBondContact O-N 2.95Å
24K69.2Low80.7Confident164 Ų16454.9 Ų54.971%0.71332%0.323SS*.Hα-helixtrans-73.3-44.1-179.8-76-173.5178.21800113.2D22 C26 S28D22-K24 VanDerWaalsContact C-N 3.25Å; D22-K24 PolarHBondContact O-N 3.34Å; K24-C26 VanDerWaalsContact C-N 3.26Å; K24-S28 PolarHBondContact O-N 3.4Å; K24-S28 PolarHBondContact O-OG 3.45Å
25A71Confident81Confident50 Ų5056.3 Ų56.341%0.41333%0.327SS..Hα-helixtrans-65.5-37.3175.800000110.5D22 S28 A29D22-A25 HydrophobicContact CB-CB 4.3Å; D22-A25 PolarHBondContact O-N 3.23Å; D22-A25 VanDerWaalsContact O-N 3.08Å; A25-S28 PolarHBondContact O-N 3.31Å; A25-A29 WeakPolarHBondContact O-CB 3.4Å; A25-A29 PolarHBondContact O-N 3.26Å; A25-A29 VanDerWaalsContact O-N 3.09Å
26C82.6Confident81.3Confident11 Ų1154.8 Ų54.87%0.07432%0.319CS..Hα-helixtrans-60.3-50.2177-147.20000111.5A18 N20 D22 S23 K24 S28 A29 Q30A18-C26 PolarHBondContact O-SG 3.16Å; N20-C26 PolarHBondContact O-SG 3.34Å; N20-C26 VanDerWaalsContact O-SG 3.35Å; D22-C26 VanDerWaalsContact O-CB 3.22Å; D22-C26 WeakPolarHBondContact O-CB 3.38Å; D22-C26 PolarHBondContact O-N 3.11Å; S23-C26 WeakPolarHBondContact O-CB 3.46Å; K24-C26 VanDerWaalsContact C-N 3.26Å; C26-S28 VanDerWaalsContact C-N 3.34Å; C26-S28 PolarHBondContact O-N 2.93Å; C26-A29 PolarHBondContact O-N 3.25Å; C26-Q30 WeakPolarHBondContact O-CB 3.36Å; C26-Q30 WeakPolarHBondContact O-CG 3.41Å; C26-Q30 PolarHBondContact O-N 3.23Å; C26-Q30 PolarHBondContact SG-NE2 2.88Å; C26-Q30 VanDerWaalsContact SG-NE2 3.41Å
27I86Confident81.6Confident31 Ų3149.3 Ų49.316%0.15929%0.294CS..Hα-helixtrans-56.6-46.5178.4-71.9157.8000112S23 Q30 T31 N58S23-I27 VanDerWaalsContact O-CD1 3.24Å; S23-I27 WeakPolarHBondContact O-CD1 3.38Å; S23-I27 WeakPolarHBondContact O-CG1 3.24Å; S23-I27 PolarHBondContact O-N 2.95Å; I27-Q30 PolarHBondContact O-N 3.08Å; I27-T31 WeakPolarHBondContact O-CB 3.15Å; I27-T31 PolarHBondContact O-N 3.44Å; I27-T31 PolarHBondContact O-OG1 2.9Å; I27-N58 HydrophobicContact CD1-CB 4.06Å; I27-N58 WeakPolarHBondContact CD1-O 3.48Å; I27-N58 HydrophobicContact CG1-CB 3.46Å; I27-N58 VanDerWaalsContact CG1-CB 3.46Å
28S86Confident81.9Confident80 Ų8049.6 Ų49.656%0.55929%0.294SS*.Hα-helixtrans-65.8-42.5-177.1-54.20000110.6K24 A25 C26 T31 A32K24-S28 PolarHBondContact O-N 3.4Å; K24-S28 PolarHBondContact O-OG 3.45Å; A25-S28 PolarHBondContact O-N 3.31Å; C26-S28 VanDerWaalsContact C-N 3.34Å; C26-S28 PolarHBondContact O-N 2.93Å; S28-T31 PolarHBondContact O-N 3.4Å; S28-A32 WeakPolarHBondContact O-CB 3.37Å; S28-A32 PolarHBondContact O-N 2.91Å
29A88.5Confident82.1Confident3 Ų350.2 Ų50.23%0.02530%0.301CS..Hα-helixtrans-67.1-42.6177.300000112.6F14 A17 A18 A25 C26 A32 L33F14-A29 HydrophobicContact CB-CB 4.41Å; F14-A29 HydrophobicContact CD1-CB 4.16Å; A17-A29 HydrophobicContact CB-CB 3.7Å; A18-A29 HydrophobicContact CB-CB 3.87Å; A25-A29 WeakPolarHBondContact O-CB 3.4Å; A25-A29 PolarHBondContact O-N 3.26Å; A25-A29 VanDerWaalsContact O-N 3.09Å; C26-A29 PolarHBondContact O-N 3.25Å; A29-A32 PolarHBondContact O-N 3.49Å; A29-L33 WeakPolarHBondContact O-CG 3.47Å; A29-L33 PolarHBondContact O-N 2.95Å
30Q88.9Confident82.5Confident12 Ų1250.8 Ų50.86%0.05631%0.311CS..Hα-helixtrans-62.9-42.9175.7-69.5168.8-9.500111.2A18 C26 I27 L33 G34 W51 D54 A55 N58A18-Q30 HydrophobicContact CB-CG 3.72Å; A18-Q30 PolarHBondContact O-NE2 3.3Å; C26-Q30 WeakPolarHBondContact O-CB 3.36Å; C26-Q30 WeakPolarHBondContact O-CG 3.41Å; C26-Q30 PolarHBondContact O-N 3.23Å; C26-Q30 PolarHBondContact SG-NE2 2.88Å; C26-Q30 VanDerWaalsContact SG-NE2 3.41Å; I27-Q30 PolarHBondContact O-N 3.08Å; Q30-L33 PolarHBondContact O-N 3.2Å; Q30-G34 PolarHBondContact O-N 3.28Å; Q30-W51 HydrophobicContact CB-CE3 4.2Å; Q30-W51 HydrophobicContact CG-CE3 3.88Å; Q30-W51 HydrophobicContact CG-CZ3 4Å; Q30-D54 PolarHBondContact OE1-O 3.17Å; Q30-A55 HydrophobicContact CB-CB 3.72Å; Q30-N58 PolarHBondContact NE2-ND2 3.19Å; Q30-N58 PolarHBondContact OE1-ND2 2.99Å
31T89.7Confident83.1Confident5 Ų552.1 Ų52.13%0.03132%0.315CS..Hα-helixtrans-63.4-43.7176.4-54.50000111I27 S28 G34 Y35 S60 E62 S63I27-T31 WeakPolarHBondContact O-CB 3.15Å; I27-T31 PolarHBondContact O-N 3.44Å; I27-T31 PolarHBondContact O-OG1 2.9Å; S28-T31 PolarHBondContact O-N 3.4Å; T31-G34 PolarHBondContact O-N 3.46Å; T31-Y35 HydrophobicContact CG2-CD2 4.15Å; T31-Y35 HydrophobicContact CG2-CE2 3.76Å; T31-Y35 VanDerWaalsContact O-CD2 3.29Å; T31-Y35 WeakPolarHBondContact O-CD2 3.36Å; T31-Y35 PolarHBondContact O-N 2.91Å; T31-Y35 VanDerWaalsContact O-N 3.11Å; T31-S60 PolarHBondContact OG1-OG 3.23Å; T31-S60 VanDerWaalsContact OG1-OG 3.08Å; T31-E62 HydrophobicContact CG2-CB 4.4Å; T31-E62 HydrophobicContact CG2-CG 4.24Å; T31-S63 PolarHBondContact OG1-OG 2.76Å
32A89.7Confident83.9Confident29 Ų2951.5 Ų51.524%0.2429%0.292CS..Hα-helixtrans-62.7-41.9176.100000112.5F14 S28 A29 G34 Y35 L36F14-A32 HydrophobicContact CD1-CB 4.23Å; F14-A32 HydrophobicContact CE1-CB 4.12Å; F14-A32 HydrophobicContact CE2-CB 4.45Å; F14-A32 HydrophobicContact CG-CB 4.46Å; F14-A32 HydrophobicContact CZ-CB 4.24Å; S28-A32 WeakPolarHBondContact O-CB 3.37Å; S28-A32 PolarHBondContact O-N 2.91Å; A29-A32 PolarHBondContact O-N 3.49Å; A32-G34 VanDerWaalsContact C-N 3.34Å; A32-Y35 PolarHBondContact O-N 3.28Å; A32-L36 WeakPolarHBondContact O-CB 3.49Å; A32-L36 PolarHBondContact O-N 2.84Å
33L89.6Confident84.7Confident0 Ų050.2 Ų50.20%029%0.291CS..Hα-helixtrans-62.5-41.4173.8-74.1168.7000111.4F14 L15 A18 A29 Q30 Y35 L36 Y37 W51F14-L33 HydrophobicContact CB-CD1 4.19Å; F14-L33 HydrophobicContact CB-CD2 3.89Å; F14-L33 HydrophobicContact CB-CG 3.82Å; L15-L33 HydrophobicContact CD2-CD1 4.29Å; L15-L33 HydrophobicContact CG-CD1 4.34Å; L15-L33 HydrophobicContact CG-CD2 4.41Å; A18-L33 HydrophobicContact CB-CD1 3.81Å; A29-L33 WeakPolarHBondContact O-CG 3.47Å; A29-L33 PolarHBondContact O-N 2.95Å; Q30-L33 PolarHBondContact O-N 3.2Å; L33-Y35 VanDerWaalsContact C-N 3.32Å; L33-Y35 PolarHBondContact O-N 3.12Å; L33-L36 HydrophobicContact CD2-CD2 4.28Å; L33-L36 WeakPolarHBondContact O-CB 3.36Å; L33-L36 PolarHBondContact O-N 2.89Å; L33-L36 VanDerWaalsContact O-N 3.16Å; L33-Y37 HydrophobicContact CB-CD2 4.43Å; L33-Y37 HydrophobicContact CD2-CE2 4.24Å; L33-Y37 WeakPolarHBondContact O-CD2 3.13Å; L33-Y37 PolarHBondContact O-N 3.42Å; L33-W51 HydrophobicContact CB-CB 4.29Å; L33-W51 HydrophobicContact CB-CD2 3.91Å; L33-W51 HydrophobicContact CB-CE3 4.5Å; L33-W51 HydrophobicContact CB-CG 3.79Å; L33-W51 HydrophobicContact CD1-CD2 3.92Å; L33-W51 HydrophobicContact CD1-CE3 4.01Å; L33-W51 HydrophobicContact CD1-CH2 3.86Å; L33-W51 HydrophobicContact CD1-CZ2 3.77Å; L33-W51 HydrophobicContact CD1-CZ3 3.98Å
34G89.1Confident85.5Confident0 Ų049.3 Ų49.30%028%0.28CS..Hα-helixtrans-52.8-49.6173.400000112.1Q30 T31 A32 Y37 S38 A48 H52Q30-G34 PolarHBondContact O-N 3.28Å; T31-G34 PolarHBondContact O-N 3.46Å; A32-G34 VanDerWaalsContact C-N 3.34Å; G34-Y37 PolarHBondContact O-N 3.39Å; G34-S38 WeakPolarHBondContact O-CB 3.42Å; G34-S38 PolarHBondContact O-N 3Å; G34-A48 WeakPolarHBondContact O-CB 3.32Å; G34-H52 VanDerWaalsContact C-NE2 3.29Å; G34-H52 WeakPolarHBondContact CA-NE2 3.48Å
35Y88.8Confident86.4Confident99 Ų9946.3 Ų46.339%0.38827%0.271SS..Hα-helixtrans-63.4-43.6175.2-75.5-60.1000113.1T31 A32 L33 Y37 S38 G39 E62 F66T31-Y35 HydrophobicContact CG2-CD2 4.15Å; T31-Y35 HydrophobicContact CG2-CE2 3.76Å; T31-Y35 VanDerWaalsContact O-CD2 3.29Å; T31-Y35 WeakPolarHBondContact O-CD2 3.36Å; T31-Y35 PolarHBondContact O-N 2.91Å; T31-Y35 VanDerWaalsContact O-N 3.11Å; A32-Y35 PolarHBondContact O-N 3.28Å; L33-Y35 VanDerWaalsContact C-N 3.32Å; L33-Y35 PolarHBondContact O-N 3.12Å; Y35-Y37 VanDerWaalsContact C-N 3.31Å; Y35-Y37 PolarHBondContact O-N 2.83Å; Y35-S38 WeakPolarHBondContact CA-OG 3.07Å; Y35-S38 CarbonylContact O-C 3.58Å; Y35-S38 PolarHBondContact O-N 3.35Å; Y35-S38 VanDerWaalsContact O-N 3.1Å; Y35-S38 PolarHBondContact O-OG 3.33Å; Y35-G39 PolarHBondContact O-N 3.04Å; Y35-E62 HydrophobicContact CE2-CG 4.39Å; Y35-E62 WeakPolarHBondContact OH-CG 3.44Å; Y35-E62 PolarHBondContact OH-OE1 3.06Å; Y35-F66 HydrophobicContact CE1-CD2 4.46Å
36L88.5Confident87.3Confident25 Ų2551.9 Ų51.913%0.13129%0.289CS..Hα-helixtrans-56-46.8179.1-162.287.3000111.6F7 A32 L33 G39 I42F7-L36 HydrophobicContact CD1-CD1 3.76Å; F7-L36 HydrophobicContact CD1-CD2 4.1Å; F7-L36 HydrophobicContact CD1-CG 4Å; F7-L36 HydrophobicContact CD2-CD1 4.44Å; F7-L36 HydrophobicContact CE1-CD1 3.16Å; F7-L36 HydrophobicContact CE1-CD2 3.92Å; F7-L36 HydrophobicContact CE1-CG 3.33Å; F7-L36 HydrophobicContact CE2-CD1 3.9Å; F7-L36 HydrophobicContact CG-CD1 4.38Å; F7-L36 HydrophobicContact CZ-CD1 3.23Å; F7-L36 HydrophobicContact CZ-CG 3.84Å; A32-L36 WeakPolarHBondContact O-CB 3.49Å; A32-L36 PolarHBondContact O-N 2.84Å; L33-L36 HydrophobicContact CD2-CD2 4.28Å; L33-L36 WeakPolarHBondContact O-CB 3.36Å; L33-L36 PolarHBondContact O-N 2.89Å; L33-L36 VanDerWaalsContact O-N 3.16Å; L36-G39 PolarHBondContact O-N 2.98Å; L36-I42 HydrophobicContact CD2-CD1 3.78Å; L36-I42 HydrophobicContact CG-CD1 3.95Å
37Y88.1Confident87.5Confident30 Ų3056 Ų5612%0.11831%0.305CS..Hα-helixtrans-73.1-27.1178.7-77.8-69.5000112.7L33 G34 Y35 G39 I42 C43 D44 K47 W51L33-Y37 HydrophobicContact CB-CD2 4.43Å; L33-Y37 HydrophobicContact CD2-CE2 4.24Å; L33-Y37 WeakPolarHBondContact O-CD2 3.13Å; L33-Y37 PolarHBondContact O-N 3.42Å; G34-Y37 PolarHBondContact O-N 3.39Å; Y35-Y37 VanDerWaalsContact C-N 3.31Å; Y35-Y37 PolarHBondContact O-N 2.83Å; Y37-G39 VanDerWaalsContact C-N 3.3Å; Y37-I42 HydrophobicContact CD1-CB 4.34Å; Y37-I42 HydrophobicContact CD1-CD1 4.26Å; Y37-I42 HydrophobicContact CD1-CG2 3.52Å; Y37-I42 HydrophobicContact CE1-CD1 4.25Å; Y37-I42 HydrophobicContact CE1-CG2 3.83Å; Y37-C43 CarbonylContact O-C 3.5Å; Y37-C43 WeakPolarHBondContact O-CA 3.4Å; Y37-C43 PolarHBondContact O-N 3.3Å; Y37-D44 HydrophobicContact CD1-CB 3.99Å; Y37-D44 PolarHBondContact O-N 2.94Å; Y37-K47 HydrophobicContact CD1-CB 3.86Å; Y37-K47 HydrophobicContact CD1-CD 3.91Å; Y37-K47 HydrophobicContact CD2-CB 4.2Å; Y37-K47 HydrophobicContact CE1-CB 4.28Å; Y37-K47 HydrophobicContact CE1-CD 3.47Å; Y37-K47 VanDerWaalsContact CE1-CD 3.47Å; Y37-K47 HydrophobicContact CE2-CD 4.28Å; Y37-K47 HydrophobicContact CG-CB 3.84Å; Y37-K47 HydrophobicContact CG-CD 4.49Å; Y37-W51 AromaticContact CD2-CD1 3.39Å; Y37-W51 AromaticContact CD2-NE1 3.59Å; Y37-W51 AromaticContact CE2-CD1 3.61Å; Y37-W51 AromaticContact CE2-NE1 3.25Å; Y37-W51 VanDerWaalsContact CE2-NE1 3.25Å
38S87.9Confident87.7Confident36 Ų3654.6 Ų54.625%0.25230%0.298SS..Hα-helixtrans-77.2-16.3172.779.60000113.8G34 Y35G34-S38 WeakPolarHBondContact O-CB 3.42Å; G34-S38 PolarHBondContact O-N 3Å; Y35-S38 WeakPolarHBondContact CA-OG 3.07Å; Y35-S38 CarbonylContact O-C 3.58Å; Y35-S38 PolarHBondContact O-N 3.35Å; Y35-S38 VanDerWaalsContact O-N 3.1Å; Y35-S38 PolarHBondContact O-OG 3.33Å
39G85.9Confident87.8Confident16 Ų1654.2 Ų54.217%0.16529%0.287CS..SBendtrans-73.5161-175.300000113.5Y35 L36 Y37 E41 I42 C43Y35-G39 PolarHBondContact O-N 3.04Å; L36-G39 PolarHBondContact O-N 2.98Å; Y37-G39 VanDerWaalsContact C-N 3.3Å; G39-E41 PolarHBondContact O-N 3.17Å; G39-E41 VanDerWaalsContact O-N 3.12Å; G39-I42 PolarHBondContact O-N 3.17Å; G39-C43 WeakPolarHBondContact O-CA 3.48Å; G39-C43 PolarHBondContact O-N 3.48Å
40P85.1Confident87.9Confident132 Ų13259.1 Ų59.186%0.85731%0.309SS*.THydrogen-bonded Turntrans-65.4-17-175.126.8-35.3000114.3
41E82.8Confident88Confident111 Ų11160.1 Ų60.152%0.51931%0.312SS..THydrogen-bonded Turntrans-78.4-34.4179.3-71.9-16117800113.9F7 G39F7-E41 WeakPolarHBondContact CD2-OE2 3.45Å; F7-E41 HydrophobicContact CE1-CB 4.29Å; F7-E41 WeakPolarHBondContact CE2-OE2 3.43Å; F7-E41 HydrophobicContact CZ-CB 4.27Å; G39-E41 PolarHBondContact O-N 3.17Å; G39-E41 VanDerWaalsContact O-N 3.12Å
42I83.6Confident88.1Confident67 Ų6759.9 Ų59.934%0.34431%0.311SS..THydrogen-bonded Turntrans-110.9-45-178.5-54.2178.6000111F7 L36 Y37 G39 D44F7-I42 HydrophobicContact CD1-CD1 3.99Å; F7-I42 HydrophobicContact CD1-CG1 4.38Å; F7-I42 HydrophobicContact CE1-CD1 3.71Å; F7-I42 HydrophobicContact CE1-CG1 3.96Å; L36-I42 HydrophobicContact CD2-CD1 3.78Å; L36-I42 HydrophobicContact CG-CD1 3.95Å; Y37-I42 HydrophobicContact CD1-CB 4.34Å; Y37-I42 HydrophobicContact CD1-CD1 4.26Å; Y37-I42 HydrophobicContact CD1-CG2 3.52Å; Y37-I42 HydrophobicContact CE1-CD1 4.25Å; Y37-I42 HydrophobicContact CE1-CG2 3.83Å; G39-I42 PolarHBondContact O-N 3.17Å; I42-D44 VanDerWaalsContact C-N 3.32Å; I42-D44 HydrophobicContact CG2-CB 4.17Å; I42-D44 PolarHBondContact O-N 3.31Å
43C86Confident88Confident82 Ų8260.1 Ų60.155%0.55431%0.311SS*.  trans44.651178-151.30000113.9Y37 G39Y37-C43 CarbonylContact O-C 3.5Å; Y37-C43 WeakPolarHBondContact O-CA 3.4Å; Y37-C43 PolarHBondContact O-N 3.3Å; G39-C43 WeakPolarHBondContact O-CA 3.48Å; G39-C43 PolarHBondContact O-N 3.48Å
44D89Confident87.9Confident53 Ų5363 Ų6328%0.28333%0.326SS..  trans-107.186172.7-176-17.5000108.3Y37 I42 Q46 K47 A48Y37-D44 HydrophobicContact CD1-CB 3.99Å; Y37-D44 PolarHBondContact O-N 2.94Å; I42-D44 VanDerWaalsContact C-N 3.32Å; I42-D44 HydrophobicContact CG2-CB 4.17Å; I42-D44 PolarHBondContact O-N 3.31Å; D44-Q46 PolarHBondContact O-N 3.18Å; D44-Q46 PolarHBondContact OD1-N 3.14Å; D44-K47 HydrophobicContact CB-CB 4.25Å; D44-K47 PolarHBondContact O-N 2.89Å; D44-K47 PolarHBondContact OD1-N 3.32Å; D44-K47 WeakPolarHBondContact OD2-CD 3.14Å; D44-K47 WeakPolarHBondContact OD2-CG 3.41Å; D44-A48 WeakPolarHBondContact O-CB 3.38Å; D44-A48 PolarHBondContact O-N 3.15Å
45L87.7Confident87.9Confident101 Ų10163 Ų6353%0.52933%0.326SS..Hα-helixtrans-63.9-27.9-175.7-62.8179.1000112.6A48 F49L45-A48 PolarHBondContact O-N 3.47Å; L45-F49 WeakPolarHBondContact O-CB 3.36Å; L45-F49 PolarHBondContact O-N 2.86Å
46Q89.2Confident87.9Confident167 Ų16759.8 Ų59.878%0.7832%0.317SS*.Hα-helixtrans-69.5-46.5177.8-169.2177.112.600110.5D44 F49 Q50D44-Q46 PolarHBondContact O-N 3.18Å; D44-Q46 PolarHBondContact OD1-N 3.14Å; Q46-F49 PolarHBondContact O-N 3.26Å; Q46-Q50 PolarHBondContact O-N 3.44Å
47K87.6Confident87.7Confident98 Ų9862 Ų6243%0.42635%0.346SS..Hα-helixtrans-64.8-40172.1-84.9-170.5-175.5176.50112.7Y37 D44 F49 Q50 W51Y37-K47 HydrophobicContact CD1-CB 3.86Å; Y37-K47 HydrophobicContact CD1-CD 3.91Å; Y37-K47 HydrophobicContact CD2-CB 4.2Å; Y37-K47 HydrophobicContact CE1-CB 4.28Å; Y37-K47 HydrophobicContact CE1-CD 3.47Å; Y37-K47 VanDerWaalsContact CE1-CD 3.47Å; Y37-K47 HydrophobicContact CE2-CD 4.28Å; Y37-K47 HydrophobicContact CG-CB 3.84Å; Y37-K47 HydrophobicContact CG-CD 4.49Å; D44-K47 HydrophobicContact CB-CB 4.25Å; D44-K47 PolarHBondContact O-N 2.89Å; D44-K47 PolarHBondContact OD1-N 3.32Å; D44-K47 WeakPolarHBondContact OD2-CD 3.14Å; D44-K47 WeakPolarHBondContact OD2-CG 3.41Å; K47-F49 VanDerWaalsContact C-N 3.29Å; K47-F49 PolarHBondContact O-N 2.63Å; K47-Q50 PolarHBondContact O-N 3.13Å; K47-W51 PolarHBondContact O-N 2.91Å
48A89.3Confident87.5Confident0 Ų064.3 Ų64.30%036%0.361CS..Hα-helixtrans-57.2-46.5176.500000110.8G34 D44 L45 Q50 W51 H52G34-A48 WeakPolarHBondContact O-CB 3.32Å; D44-A48 WeakPolarHBondContact O-CB 3.38Å; D44-A48 PolarHBondContact O-N 3.15Å; L45-A48 PolarHBondContact O-N 3.47Å; A48-Q50 VanDerWaalsContact C-N 3.35Å; A48-Q50 PolarHBondContact O-N 2.91Å; A48-W51 PolarHBondContact O-N 3.45Å; A48-H52 PolarHBondContact O-CD2 2.98Å; A48-H52 PolarHBondContact O-N 2.88Å
49F89.6Confident87.3Confident73 Ų7365.1 Ų65.132%0.3238%0.375SS..Hα-helixtrans-62.1-40.8176.8-172.8-90.9000112.6L45 Q46 K47 S53 I67 H70L45-F49 WeakPolarHBondContact O-CB 3.36Å; L45-F49 PolarHBondContact O-N 2.86Å; Q46-F49 PolarHBondContact O-N 3.26Å; K47-F49 VanDerWaalsContact C-N 3.29Å; K47-F49 PolarHBondContact O-N 2.63Å; F49-S53 WeakPolarHBondContact CE1-OG 3.45Å; F49-S53 VanDerWaalsContact O-CB 3.32Å; F49-S53 WeakPolarHBondContact O-CB 3.09Å; F49-S53 PolarHBondContact O-N 3.09Å; F49-S53 PolarHBondContact O-OG 3.36Å; F49-I67 HydrophobicContact CE2-CB 4.42Å; F49-I67 HydrophobicContact CE2-CG1 4.44Å; F49-I67 HydrophobicContact CE2-CG2 3.83Å; F49-I67 HydrophobicContact CZ-CG2 3.98Å; F49-H70 HydrophobicContact CD2-CB 4.47Å
50Q90.3Very high87.2Confident105 Ų10564.8 Ų64.849%0.49137%0.37SS..Hα-helixtrans-62.1-50176.8-171.363.551.100111.4Q46 K47 A48 H52 S53 D54Q46-Q50 PolarHBondContact O-N 3.44Å; K47-Q50 PolarHBondContact O-N 3.13Å; A48-Q50 VanDerWaalsContact C-N 3.35Å; A48-Q50 PolarHBondContact O-N 2.91Å; Q50-H52 PolarHBondContact O-N 2.99Å; Q50-S53 WeakPolarHBondContact O-CA 3.37Å; Q50-S53 WeakPolarHBondContact O-CB 3.48Å; Q50-S53 PolarHBondContact O-N 3.2Å; Q50-D54 PolarHBondContact NE2-OD1 3.35Å; Q50-D54 VanDerWaalsContact NE2-OD1 3.13Å; Q50-D54 PolarHBondContact O-N 3.28Å
51W90.5Very high87.2Confident34 Ų3463.9 Ų63.913%0.12936%0.361CS..Hα-helixtrans-63.1-41.6-180-77.5117.1000112.9L15 A18 Q30 L33 Y37 K47 A48 S53 D54 A55L15-W51 HydrophobicContact CD2-CH2 3.99Å; L15-W51 HydrophobicContact CD2-CZ2 3.62Å; A18-W51 HydrophobicContact CB-CH2 4.25Å; A18-W51 HydrophobicContact CB-CZ3 3.83Å; Q30-W51 HydrophobicContact CB-CE3 4.2Å; Q30-W51 HydrophobicContact CG-CE3 3.88Å; Q30-W51 HydrophobicContact CG-CZ3 4Å; L33-W51 HydrophobicContact CB-CB 4.29Å; L33-W51 HydrophobicContact CB-CD2 3.91Å; L33-W51 HydrophobicContact CB-CE3 4.5Å; L33-W51 HydrophobicContact CB-CG 3.79Å; L33-W51 HydrophobicContact CD1-CD2 3.92Å; L33-W51 HydrophobicContact CD1-CE3 4.01Å; L33-W51 HydrophobicContact CD1-CH2 3.86Å; L33-W51 HydrophobicContact CD1-CZ2 3.77Å; L33-W51 HydrophobicContact CD1-CZ3 3.98Å; Y37-W51 AromaticContact CD2-CD1 3.39Å; Y37-W51 AromaticContact CD2-NE1 3.59Å; Y37-W51 AromaticContact CE2-CD1 3.61Å; Y37-W51 AromaticContact CE2-NE1 3.25Å; Y37-W51 VanDerWaalsContact CE2-NE1 3.25Å; K47-W51 PolarHBondContact O-N 2.91Å; A48-W51 PolarHBondContact O-N 3.45Å; W51-S53 VanDerWaalsContact C-N 3.31Å; W51-S53 PolarHBondContact O-N 2.79Å; W51-D54 PolarHBondContact O-N 2.89Å; W51-A55 WeakPolarHBondContact O-CB 3.48Å; W51-A55 PolarHBondContact O-N 3.34Å
52H90.8Very high87.3Confident0 Ų064.2 Ų64.20%036%0.363CS..Hα-helixtrans-63.6-38.6172.9-77.1-58.9000111.4G34 A48 Q50 A55 C56 S63 F66 I67G34-H52 VanDerWaalsContact C-NE2 3.29Å; G34-H52 WeakPolarHBondContact CA-NE2 3.48Å; A48-H52 PolarHBondContact O-CD2 2.98Å; A48-H52 PolarHBondContact O-N 2.88Å; Q50-H52 PolarHBondContact O-N 2.99Å; H52-A55 PolarHBondContact O-N 3.42Å; H52-C56 WeakPolarHBondContact O-CB 3.47Å; H52-C56 PolarHBondContact O-N 3.49Å; H52-S63 WeakPolarHBondContact ND1-CB 3.41Å; H52-S63 PolarHBondContact ND1-OG 3.25Å; H52-S63 WeakPolarHBondContact O-CB 3.19Å; H52-F66 HydrophobicContact CB-CD1 4.39Å; H52-F66 AromaticContact CD2-CD1 3.24Å; H52-F66 WeakPolarHBondContact CD2-CD1 3.43Å; H52-F66 AromaticContact CD2-CE1 3.62Å; H52-F66 AromaticContact CD2-CG 3.51Å; H52-F66 AromaticContact CG-CD1 3.89Å; H52-F66 AromaticContact NE2-CD1 3.76Å; H52-F66 AromaticContact NE2-CD2 3.69Å; H52-F66 AromaticContact NE2-CE2 3.99Å; H52-F66 AromaticContact NE2-CG 3.57Å; H52-I67 HydrophobicContact CB-CD1 4.33Å; H52-I67 HydrophobicContact CB-CG1 3.93Å; H52-I67 WeakPolarHBondContact O-CD1 3.45Å
53S88.2Confident87.4Confident34 Ų3461 Ų6124%0.23835%0.347CS..Hα-helixtrans-61.5-44.2176.7-66.10000112.3F49 Q50 W51 C56 G57 I67F49-S53 WeakPolarHBondContact CE1-OG 3.45Å; F49-S53 VanDerWaalsContact O-CB 3.32Å; F49-S53 WeakPolarHBondContact O-CB 3.09Å; F49-S53 PolarHBondContact O-N 3.09Å; F49-S53 PolarHBondContact O-OG 3.36Å; Q50-S53 WeakPolarHBondContact O-CA 3.37Å; Q50-S53 WeakPolarHBondContact O-CB 3.48Å; Q50-S53 PolarHBondContact O-N 3.2Å; W51-S53 VanDerWaalsContact C-N 3.31Å; W51-S53 PolarHBondContact O-N 2.79Å; S53-C56 WeakPolarHBondContact O-CB 3.47Å; S53-C56 PolarHBondContact O-N 3.11Å; S53-G57 PolarHBondContact O-N 2.93Å; S53-I67 VanDerWaalsContact CA-CD1 3.46Å
54D88.9Confident87.3Confident61 Ų6161.5 Ų61.533%0.32634%0.341SS..Hα-helixtrans-65.2-43.9176.9-62.4-14.2000110.7Q30 Q50 W51 C56 G57 N58Q30-D54 PolarHBondContact OE1-O 3.17Å; Q50-D54 PolarHBondContact NE2-OD1 3.35Å; Q50-D54 VanDerWaalsContact NE2-OD1 3.13Å; Q50-D54 PolarHBondContact O-N 3.28Å; W51-D54 PolarHBondContact O-N 2.89Å; D54-C56 VanDerWaalsContact C-N 3.32Å; D54-C56 PolarHBondContact O-N 3.3Å; D54-G57 PolarHBondContact O-N 3.39Å; D54-N58 PolarHBondContact O-N 3.33Å; D54-N58 VanDerWaalsContact O-N 3.11Å; D54-N58 PolarHBondContact O-ND2 3.2Å; D54-N58 VanDerWaalsContact O-ND2 3.15Å
55A88.7Confident87Confident0 Ų061.1 Ų61.10%035%0.349CS..Hα-helixtrans-60.6-41.6175.500000112.3Q30 W51 H52 N58 G59 S60 S63Q30-A55 HydrophobicContact CB-CB 3.72Å; W51-A55 WeakPolarHBondContact O-CB 3.48Å; W51-A55 PolarHBondContact O-N 3.34Å; H52-A55 PolarHBondContact O-N 3.42Å; A55-N58 CarbonylContact O-C 3.51Å; A55-N58 PolarHBondContact O-N 3.15Å; A55-G59 PolarHBondContact O-N 3.06Å; A55-S60 VanDerWaalsContact C-CB 3.46Å; A55-S60 WeakPolarHBondContact O-CB 3.28Å; A55-S60 PolarHBondContact O-N 3.06Å; A55-S63 WeakPolarHBondContact CB-OG 3.08Å
56C87.7Confident86.7Confident30 Ų3058.1 Ų58.120%0.20333%0.332CS..Hα-helixtrans-65.5-42.9178.7-173.60000111.4H52 S53 D54 N58 G59 Q64 I67H52-C56 WeakPolarHBondContact O-CB 3.47Å; H52-C56 PolarHBondContact O-N 3.49Å; S53-C56 WeakPolarHBondContact O-CB 3.47Å; S53-C56 PolarHBondContact O-N 3.11Å; D54-C56 VanDerWaalsContact C-N 3.32Å; D54-C56 PolarHBondContact O-N 3.3Å; C56-N58 PolarHBondContact O-N 2.94Å; C56-G59 PolarHBondContact O-N 3.13Å; C56-Q64 WeakPolarHBondContact SG-CG 3.24Å; C56-I67 HydrophobicContact CB-CD1 3.46Å; C56-I67 VanDerWaalsContact CB-CD1 3.46Å
57G84.4Confident86.2Confident71 Ų7151 Ų5173%0.73230%0.299SS*.Hα-helixtrans-59.5-30172.300000113S53 D54S53-G57 PolarHBondContact O-N 2.93Å; D54-G57 PolarHBondContact O-N 3.39Å
58N84.1Confident85.8Confident80 Ų8050.5 Ų50.543%0.42830%0.304SS..THydrogen-bonded Turntrans-87.11.1174.9-67.6-39.3000114.2I27 Q30 D54 A55 C56I27-N58 HydrophobicContact CD1-CB 4.06Å; I27-N58 WeakPolarHBondContact CD1-O 3.48Å; I27-N58 HydrophobicContact CG1-CB 3.46Å; I27-N58 VanDerWaalsContact CG1-CB 3.46Å; Q30-N58 PolarHBondContact NE2-ND2 3.19Å; Q30-N58 PolarHBondContact OE1-ND2 2.99Å; D54-N58 PolarHBondContact O-N 3.33Å; D54-N58 VanDerWaalsContact O-N 3.11Å; D54-N58 PolarHBondContact O-ND2 3.2Å; D54-N58 VanDerWaalsContact O-ND2 3.15Å; A55-N58 CarbonylContact O-C 3.51Å; A55-N58 PolarHBondContact O-N 3.15Å; C56-N58 PolarHBondContact O-N 2.94Å
59G83.1Confident85.1Confident53 Ų5358.5 Ų58.555%0.54634%0.339SS..THydrogen-bonded Turntrans101.116.1175.400000115.9A55 C56 V61A55-G59 PolarHBondContact O-N 3.06Å; C56-G59 PolarHBondContact O-N 3.13Å; G59-V61 PolarHBondContact O-N 3.29Å
60S84.1Confident84.2Confident8 Ų858.1 Ų58.16%0.05634%0.338CS..  trans-71.4107.6174.4-172.40000112.2T31 A55 E62 S63 Q64T31-S60 PolarHBondContact OG1-OG 3.23Å; T31-S60 VanDerWaalsContact OG1-OG 3.08Å; A55-S60 VanDerWaalsContact C-CB 3.46Å; A55-S60 WeakPolarHBondContact O-CB 3.28Å; A55-S60 PolarHBondContact O-N 3.06Å; S60-E62 VanDerWaalsContact C-N 3.31Å; S60-S63 PolarHBondContact OG-N 2.86Å; S60-S63 PolarHBondContact OG-OG 2.94Å; S60-Q64 PolarHBondContact O-N 2.78Å; S60-Q64 VanDerWaalsContact O-N 3.12Å
61V85.2Confident82.9Confident113 Ų11362.2 Ų62.269%0.68535%0.349SS*.Hα-helixtrans-66.8-33.6173.4-178.60000111.6G59 Q64 G65G59-V61 PolarHBondContact O-N 3.29Å; V61-Q64 WeakPolarHBondContact O-CB 3.3Å; V61-Q64 PolarHBondContact O-N 2.98Å; V61-G65 PolarHBondContact O-N 3.35Å
62E86.1Confident81.2Confident118 Ų11867.3 Ų67.355%0.55138%0.378SS*.Hα-helixtrans-65.6-45.2178.3-172.2172.8-161.200111.1T31 Y35 S60 Q64 G65 F66T31-E62 HydrophobicContact CG2-CB 4.4Å; T31-E62 HydrophobicContact CG2-CG 4.24Å; Y35-E62 HydrophobicContact CE2-CG 4.39Å; Y35-E62 WeakPolarHBondContact OH-CG 3.44Å; Y35-E62 PolarHBondContact OH-OE1 3.06Å; S60-E62 VanDerWaalsContact C-N 3.31Å; E62-Q64 VanDerWaalsContact C-N 3.31Å; E62-Q64 PolarHBondContact O-N 3.25Å; E62-G65 PolarHBondContact O-N 2.83Å; E62-G65 VanDerWaalsContact O-N 3.17Å; E62-F66 PolarHBondContact O-N 3.08Å
63S85.2Confident79.5Confident0 Ų071.6 Ų71.60%041%0.407CS..Hα-helixtrans-69.7-27.6176.8-65.50000112.8T31 H52 A55 S60 G65 F66 I67T31-S63 PolarHBondContact OG1-OG 2.76Å; H52-S63 WeakPolarHBondContact ND1-CB 3.41Å; H52-S63 PolarHBondContact ND1-OG 3.25Å; H52-S63 WeakPolarHBondContact O-CB 3.19Å; A55-S63 WeakPolarHBondContact CB-OG 3.08Å; S60-S63 PolarHBondContact OG-N 2.86Å; S60-S63 PolarHBondContact OG-OG 2.94Å; S63-G65 VanDerWaalsContact C-N 3.28Å; S63-G65 PolarHBondContact O-N 2.94Å; S63-F66 PolarHBondContact O-N 3.46Å; S63-I67 WeakPolarHBondContact O-CG1 3.13Å; S63-I67 PolarHBondContact O-N 3.42Å
64Q83.8Confident77.5Confident93 Ų9381.4 Ų81.444%0.43545%0.446SS..Hα-helixtrans-56.7-43.1169.5-85.8-178.1-14.100111.8C56 S60 V61 E62 F66 T68C56-Q64 WeakPolarHBondContact SG-CG 3.24Å; S60-Q64 PolarHBondContact O-N 2.78Å; S60-Q64 VanDerWaalsContact O-N 3.12Å; V61-Q64 WeakPolarHBondContact O-CB 3.3Å; V61-Q64 PolarHBondContact O-N 2.98Å; E62-Q64 VanDerWaalsContact C-N 3.31Å; E62-Q64 PolarHBondContact O-N 3.25Å; Q64-F66 VanDerWaalsContact C-N 3.34Å; Q64-F66 PolarHBondContact O-N 3.3Å; Q64-T68 VanDerWaalsContact O-CB 3.25Å; Q64-T68 WeakPolarHBondContact O-CB 3.46Å; Q64-T68 PolarHBondContact O-N 3.4Å; Q64-T68 PolarHBondContact O-OG1 3.02Å
65G82.6Confident76.9Confident45 Ų4582.5 Ų82.546%0.46445%0.452SS..Hα-helixtrans-59.1-45.3176.600000112.1V61 E62 S63 K69V61-G65 PolarHBondContact O-N 3.35Å; E62-G65 PolarHBondContact O-N 2.83Å; E62-G65 VanDerWaalsContact O-N 3.17Å; S63-G65 VanDerWaalsContact C-N 3.28Å; S63-G65 PolarHBondContact O-N 2.94Å; G65-K69 WeakPolarHBondContact O-CB 3.22Å; G65-K69 PolarHBondContact O-N 2.89Å; G65-K69 VanDerWaalsContact O-N 3.16Å
66F80.6Confident76.3Confident37 Ų3786.8 Ų86.816%0.16248%0.476CS..Hα-helixtrans-63.2-51179-162-84.5000112Y35 H52 E62 S63 Q64 T68 K69 H70Y35-F66 HydrophobicContact CE1-CD2 4.46Å; H52-F66 HydrophobicContact CB-CD1 4.39Å; H52-F66 AromaticContact CD2-CD1 3.24Å; H52-F66 WeakPolarHBondContact CD2-CD1 3.43Å; H52-F66 AromaticContact CD2-CE1 3.62Å; H52-F66 AromaticContact CD2-CG 3.51Å; H52-F66 AromaticContact CG-CD1 3.89Å; H52-F66 AromaticContact NE2-CD1 3.76Å; H52-F66 AromaticContact NE2-CD2 3.69Å; H52-F66 AromaticContact NE2-CE2 3.99Å; H52-F66 AromaticContact NE2-CG 3.57Å; E62-F66 PolarHBondContact O-N 3.08Å; S63-F66 PolarHBondContact O-N 3.46Å; Q64-F66 VanDerWaalsContact C-N 3.34Å; Q64-F66 PolarHBondContact O-N 3.3Å; F66-T68 PolarHBondContact O-N 2.97Å; F66-K69 PolarHBondContact O-N 3.35Å; F66-H70 AromaticContact CD1-CD2 3.66Å; F66-H70 AromaticContact CE1-CD2 3.37Å; F66-H70 WeakPolarHBondContact CE1-CD2 3.06Å; F66-H70 AromaticContact CE1-NE2 3.74Å; F66-H70 AromaticContact CZ-CD2 3.75Å; F66-H70 AromaticContact CZ-NE2 3.6Å; F66-H70 PolarHBondContact O-CD2 3.41Å; F66-H70 PolarHBondContact O-N 3.03Å; F66-H70 VanDerWaalsContact O-N 3.17Å
67I80Confident75.7Confident17 Ų1789.9 Ų89.99%0.08749%0.491CS..Hα-helixtrans-62.3-45.2179.9-63.3170.6000110.8F49 H52 S53 C56 S63 K69 H70 R71F49-I67 HydrophobicContact CE2-CB 4.42Å; F49-I67 HydrophobicContact CE2-CG1 4.44Å; F49-I67 HydrophobicContact CE2-CG2 3.83Å; F49-I67 HydrophobicContact CZ-CG2 3.98Å; H52-I67 HydrophobicContact CB-CD1 4.33Å; H52-I67 HydrophobicContact CB-CG1 3.93Å; H52-I67 WeakPolarHBondContact O-CD1 3.45Å; S53-I67 VanDerWaalsContact CA-CD1 3.46Å; C56-I67 HydrophobicContact CB-CD1 3.46Å; C56-I67 VanDerWaalsContact CB-CD1 3.46Å; S63-I67 WeakPolarHBondContact O-CG1 3.13Å; S63-I67 PolarHBondContact O-N 3.42Å; I67-K69 PolarHBondContact O-N 3.26Å; I67-H70 PolarHBondContact O-N 3.32Å; I67-H70 VanDerWaalsContact O-N 3.12Å; I67-R71 HydrophobicContact CG2-CB 4.44Å; I67-R71 WeakPolarHBondContact O-CB 3.27Å; I67-R71 PolarHBondContact O-N 3.32Å
68T79.5Confident75.1Confident88 Ų8891.1 Ų91.154%0.5448%0.477SS..Hα-helixtrans-60.4-38.2-177.5-58.80000110.8Q64 F66Q64-T68 VanDerWaalsContact O-CB 3.25Å; Q64-T68 WeakPolarHBondContact O-CB 3.46Å; Q64-T68 PolarHBondContact O-N 3.4Å; Q64-T68 PolarHBondContact O-OG1 3.02Å; F66-T68 PolarHBondContact O-N 2.97Å
69K73.5Confident74.6Confident169 Ų16991.8 Ų91.874%0.73548%0.48SS*.Hα-helixtrans-67.1-38177.3-138.9-179.3-173.5-1770112.8G65 F66 I67G65-K69 WeakPolarHBondContact O-CB 3.22Å; G65-K69 PolarHBondContact O-N 2.89Å; G65-K69 VanDerWaalsContact O-N 3.16Å; F66-K69 PolarHBondContact O-N 3.35Å; I67-K69 PolarHBondContact O-N 3.26Å
70H70.2Confident74Confident65 Ų6594.3 Ų94.330%0.30148%0.476SS..Hα-helixtrans-90.4-22.4-176.5-78.7-74.7000114.7F49 F66 I67 I72 S73F49-H70 HydrophobicContact CD2-CB 4.47Å; F66-H70 AromaticContact CD1-CD2 3.66Å; F66-H70 AromaticContact CE1-CD2 3.37Å; F66-H70 WeakPolarHBondContact CE1-CD2 3.06Å; F66-H70 AromaticContact CE1-NE2 3.74Å; F66-H70 AromaticContact CZ-CD2 3.75Å; F66-H70 AromaticContact CZ-NE2 3.6Å; F66-H70 PolarHBondContact O-CD2 3.41Å; F66-H70 PolarHBondContact O-N 3.03Å; F66-H70 VanDerWaalsContact O-N 3.17Å; I67-H70 PolarHBondContact O-N 3.32Å; I67-H70 VanDerWaalsContact O-N 3.12Å; H70-I72 PolarHBondContact O-N 3.28Å; H70-S73 PolarHBondContact O-N 3.13Å; H70-S73 VanDerWaalsContact O-N 3.09Å
71R63.1Low73.3Confident190 Ų190100.5 Ų100.572%0.71751%0.506SS*.THydrogen-bonded Turntrans-69.2-15.3178.7-171.3173.9169.6171.1-1.8113.1I67 S73I67-R71 HydrophobicContact CG2-CB 4.44Å; I67-R71 WeakPolarHBondContact O-CB 3.27Å; I67-R71 PolarHBondContact O-N 3.32Å; R71-S73 VanDerWaalsContact C-N 3.3Å
72I54.9Low72.4Confident142 Ų14299.5 Ų99.573%0.72849%0.492SS*.THydrogen-bonded Turntrans-85.3-7175.5-53.8166.7000111H70H70-I72 PolarHBondContact O-N 3.28Å
73S54.9Low71.2Confident89 Ų8998 Ų9862%0.62249%0.487SS*.  trans-104.87.2-175-590000115.5H70 R71H70-S73 PolarHBondContact O-N 3.13Å; H70-S73 VanDerWaalsContact O-N 3.09Å; R71-S73 VanDerWaalsContact C-N 3.3Å
74F46.7Very low70Confident241 Ų241106.9 Ų106.9100%1.05753%0.532SS*.  trans-129.60173-70.1-83.1000110.1

Retrieved 74 of 74 residues in 19.9 ms (Link to these results)