G4VFW0_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession G4VFW0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 88 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
1M48.3Very low75.7Confident223 Ų223116.7 Ų116.7100%1.09958%0.575SS**  0117.30-147.6152.493.400107.1N3M1-N3 PolarHBondContact O-N 3.15Å
2I59.8Low76.8Confident118 Ų118114.4 Ų114.461%0.60557%0.567SS**  trans-76116.4170.2-65.1172.3000105.2K6 R7I2-K6 HydrophobicContact CG2-CB 3.86Å; I2-R7 HydrophobicContact CG2-CB 4.28Å
3N72.7Confident77.7Confident85 Ų85112.7 Ų112.746%0.45557%0.566SS.*  trans-72.4154.5174.1-62.5-9.4000109M1 D5 K6 R7M1-N3 PolarHBondContact O-N 3.15Å; N3-D5 VanDerWaalsContact C-N 3.25Å; N3-D5 PolarHBondContact O-N 3.37Å; N3-K6 WeakPolarHBondContact O-CB 3.08Å; N3-K6 PolarHBondContact O-N 2.96Å; N3-R7 PolarHBondContact O-N 3.29Å
4E72.7Confident78.3Confident144 Ų144106 Ų10667%0.67353%0.534SS*.Hα-helixtrans-52.1-43.5-177.4-74.8-173.6140.500112.6K6 R7 D8E4-K6 VanDerWaalsContact C-N 3.27Å; E4-K6 PolarHBondContact O-N 3.33Å; E4-R7 WeakPolarHBondContact O-CB 3.22Å; E4-R7 PolarHBondContact O-N 3.14Å; E4-D8 PolarHBondContact O-N 3.35Å; E4-D8 VanDerWaalsContact O-N 3.12Å
5D77.6Confident78.8Confident130 Ų130105.9 Ų105.970%0.69553%0.529SS*.Hα-helixtrans-55.1-40.5178.5-52.2-35.9000113.2N3 R7 D8 E9N3-D5 VanDerWaalsContact C-N 3.25Å; N3-D5 PolarHBondContact O-N 3.37Å; D5-R7 VanDerWaalsContact C-N 3.34Å; D5-R7 PolarHBondContact O-N 3.15Å; D5-D8 PolarHBondContact O-N 3.49Å; D5-E9 WeakPolarHBondContact O-CB 3.41Å; D5-E9 PolarHBondContact O-N 3.47Å
6K80.5Confident79.3Confident119 Ų119106.5 Ų106.552%0.51753%0.529SS..Hα-helixtrans-69.5-33.2179.1-80.8179.4166.3126.10112I2 N3 E4 D8 V10I2-K6 HydrophobicContact CG2-CB 3.86Å; N3-K6 WeakPolarHBondContact O-CB 3.08Å; N3-K6 PolarHBondContact O-N 2.96Å; E4-K6 VanDerWaalsContact C-N 3.27Å; E4-K6 PolarHBondContact O-N 3.33Å; K6-D8 VanDerWaalsContact C-N 3.34Å; K6-V10 VanDerWaalsContact O-CG2 3.24Å; K6-V10 WeakPolarHBondContact O-CG2 3.27Å; K6-V10 PolarHBondContact O-N 2.76Å; K6-V10 VanDerWaalsContact O-N 3.15Å
7R77.4Confident79.7Confident152 Ų152106.4 Ų106.457%0.57453%0.525SS*.Hα-helixtrans-66.7-42.6177-172.8-170.467.7178.4-5.6110I2 N3 E4 D5 V10 S11I2-R7 HydrophobicContact CG2-CB 4.28Å; N3-R7 PolarHBondContact O-N 3.29Å; E4-R7 WeakPolarHBondContact O-CB 3.22Å; E4-R7 PolarHBondContact O-N 3.14Å; D5-R7 VanDerWaalsContact C-N 3.34Å; D5-R7 PolarHBondContact O-N 3.15Å; R7-V10 PolarHBondContact O-N 2.9Å; R7-S11 WeakPolarHBondContact O-CB 3.42Å; R7-S11 PolarHBondContact O-N 3.23Å
8D84.6Confident80Confident80 Ų80104.1 Ų104.143%0.42851%0.512SS..Hα-helixtrans-70.4-41.4-177.9-65.3-12.1000111E4 D5 K6 V10 S11 D12E4-D8 PolarHBondContact O-N 3.35Å; E4-D8 VanDerWaalsContact O-N 3.12Å; D5-D8 PolarHBondContact O-N 3.49Å; K6-D8 VanDerWaalsContact C-N 3.34Å; D8-V10 PolarHBondContact O-N 3.46Å; D8-S11 WeakPolarHBondContact O-CB 3.45Å; D8-S11 PolarHBondContact O-N 2.86Å; D8-D12 PolarHBondContact O-N 3.1Å
9E87.1Confident80.3Confident126 Ų126103.4 Ų103.459%0.58951%0.51SS*.Hα-helixtrans-55.7-49.9172.7-174.7-174.3174.200111.8D5 S11 D12 V13D5-E9 WeakPolarHBondContact O-CB 3.41Å; D5-E9 PolarHBondContact O-N 3.47Å; E9-S11 VanDerWaalsContact C-N 3.32Å; E9-S11 PolarHBondContact O-N 2.84Å; E9-D12 PolarHBondContact O-N 3.43Å; E9-V13 WeakPolarHBondContact O-CG2 3.48Å; E9-V13 PolarHBondContact O-N 3.23Å
10V86.7Confident80.8Confident57 Ų57101.2 Ų101.235%0.34551%0.505SS..Hα-helixtrans-63.5-40.8178.6172.60000111.1K6 R7 D8 D12 V13 V14 M52K6-V10 VanDerWaalsContact O-CG2 3.24Å; K6-V10 WeakPolarHBondContact O-CG2 3.27Å; K6-V10 PolarHBondContact O-N 2.76Å; K6-V10 VanDerWaalsContact O-N 3.15Å; R7-V10 PolarHBondContact O-N 2.9Å; D8-V10 PolarHBondContact O-N 3.46Å; V10-D12 VanDerWaalsContact C-N 3.3Å; V10-D12 PolarHBondContact O-N 2.92Å; V10-V13 PolarHBondContact O-N 3.47Å; V10-V14 HydrophobicContact CG1-CG2 4.38Å; V10-V14 VanDerWaalsContact O-CG2 3.24Å; V10-V14 WeakPolarHBondContact O-CG2 3.5Å; V10-V14 PolarHBondContact O-N 3.04Å; V10-M52 HydrophobicContact CG1-CE 4.06Å; V10-M52 HydrophobicContact CG1-SD 3.49Å; V10-M52 WeakPolarHBondContact CG1-SD 3.29Å
11S85.6Confident81Confident50 Ų5097.3 Ų97.335%0.3549%0.487SS..Hα-helixtrans-59.8-43.2177.1-154.20000111.4R7 D8 E9 V14 K15R7-S11 WeakPolarHBondContact O-CB 3.42Å; R7-S11 PolarHBondContact O-N 3.23Å; D8-S11 WeakPolarHBondContact O-CB 3.45Å; D8-S11 PolarHBondContact O-N 2.86Å; E9-S11 VanDerWaalsContact C-N 3.32Å; E9-S11 PolarHBondContact O-N 2.84Å; S11-V14 PolarHBondContact O-N 3.06Å; S11-K15 WeakPolarHBondContact O-CG 3.34Å; S11-K15 PolarHBondContact O-N 3.37Å; S11-K15 WeakPolarHBondContact OG-CE 3.4Å
12D88.9Confident82.8Confident89 Ų8990.1 Ų90.148%0.47646%0.459SS..Hα-helixtrans-69.8-39.4-180-76.5-7.9000112.5D8 E9 V10 V14 K15 Q16D8-D12 PolarHBondContact O-N 3.1Å; E9-D12 PolarHBondContact O-N 3.43Å; V10-D12 VanDerWaalsContact C-N 3.3Å; V10-D12 PolarHBondContact O-N 2.92Å; D12-V14 VanDerWaalsContact C-N 3.34Å; D12-V14 PolarHBondContact O-N 3.32Å; D12-K15 PolarHBondContact O-N 3.2Å; D12-K15 IonicContact OD1-NZ 2.76Å; D12-K15 PolarHBondContact OD1-NZ 2.96Å; D12-Q16 WeakPolarHBondContact O-CB 3.48Å; D12-Q16 VanDerWaalsContact O-CG 3.27Å; D12-Q16 WeakPolarHBondContact O-CG 3.41Å; D12-Q16 PolarHBondContact O-N 3.35Å
13V88.2Confident84.1Confident92 Ų9292.6 Ų92.656%0.55847%0.466SS*.Hα-helixtrans-58.2-46.9172.1171.50000111E9 V10 Q16 F17E9-V13 WeakPolarHBondContact O-CG2 3.48Å; E9-V13 PolarHBondContact O-N 3.23Å; V10-V13 PolarHBondContact O-N 3.47Å; V13-Q16 PolarHBondContact O-N 3.05Å; V13-F17 WeakPolarHBondContact O-CB 3.37Å; V13-F17 PolarHBondContact O-N 3.07Å
14V86.1Confident84.9Confident19 Ų1995 Ų9512%0.11548%0.477CS..Hα-helixtrans-65.5-41.2-180175.60000111.3V10 S11 D12 F17 K18 F28 I42V10-V14 HydrophobicContact CG1-CG2 4.38Å; V10-V14 VanDerWaalsContact O-CG2 3.24Å; V10-V14 WeakPolarHBondContact O-CG2 3.5Å; V10-V14 PolarHBondContact O-N 3.04Å; S11-V14 PolarHBondContact O-N 3.06Å; D12-V14 VanDerWaalsContact C-N 3.34Å; D12-V14 PolarHBondContact O-N 3.32Å; V14-F17 PolarHBondContact O-N 3.46Å; V14-K18 WeakPolarHBondContact O-CB 3.5Å; V14-K18 PolarHBondContact O-N 2.91Å; V14-F28 HydrophobicContact CG1-CE1 4.31Å; V14-F28 HydrophobicContact CG1-CZ 4.47Å; V14-I42 HydrophobicContact CG1-CG2 4.28Å; V14-I42 HydrophobicContact CG2-CD1 3.46Å; V14-I42 VanDerWaalsContact CG2-CD1 3.46Å
15K86.2Confident85.5Confident105 Ų10591.5 Ų91.546%0.45748%0.48SS..Hα-helixtrans-62.5-44.8175.4-71.1168.2-156.5156.50111.7S11 D12 F17 K18 L19S11-K15 WeakPolarHBondContact O-CG 3.34Å; S11-K15 PolarHBondContact O-N 3.37Å; S11-K15 WeakPolarHBondContact OG-CE 3.4Å; D12-K15 PolarHBondContact O-N 3.2Å; D12-K15 IonicContact OD1-NZ 2.76Å; D12-K15 PolarHBondContact OD1-NZ 2.96Å; K15-F17 VanDerWaalsContact C-N 3.31Å; K15-F17 PolarHBondContact O-N 2.75Å; K15-K18 PolarHBondContact O-N 2.84Å; K15-L19 WeakPolarHBondContact O-CG 3.36Å; K15-L19 PolarHBondContact O-N 3.44Å
16Q86.5Confident85.7Confident115 Ų11587.3 Ų87.354%0.53746%0.463SS..Hα-helixtrans-63.9-39177.6-72.3-61.6-24.200111.7D12 V13 L19 S20D12-Q16 WeakPolarHBondContact O-CB 3.48Å; D12-Q16 VanDerWaalsContact O-CG 3.27Å; D12-Q16 WeakPolarHBondContact O-CG 3.41Å; D12-Q16 PolarHBondContact O-N 3.35Å; V13-Q16 PolarHBondContact O-N 3.05Å; Q16-L19 PolarHBondContact O-N 2.86Å; Q16-S20 WeakPolarHBondContact O-CB 3.16Å; Q16-S20 PolarHBondContact O-N 3.29Å; Q16-S20 PolarHBondContact O-OG 3.37Å
17F86.8Confident85.6Confident104 Ų10488.7 Ų88.746%0.45648%0.476SS..Hα-helixtrans-64.5-45.7175.1-164.1-93.5000111.4V13 V14 K15 L19 S20 C21 F28 I31V13-F17 WeakPolarHBondContact O-CB 3.37Å; V13-F17 PolarHBondContact O-N 3.07Å; V14-F17 PolarHBondContact O-N 3.46Å; K15-F17 VanDerWaalsContact C-N 3.31Å; K15-F17 PolarHBondContact O-N 2.75Å; F17-L19 PolarHBondContact O-N 3.49Å; F17-S20 WeakPolarHBondContact O-CB 3.3Å; F17-S20 PolarHBondContact O-N 3.43Å; F17-S20 VanDerWaalsContact O-N 3.14Å; F17-C21 PolarHBondContact O-N 3.39Å; F17-C21 PolarHBondContact O-SG 3.18Å; F17-F28 AromaticContact CD1-CD2 3.52Å; F17-F28 HydrophobicContact CD1-CD2 3.52Å; F17-F28 AromaticContact CD1-CE2 3.35Å; F17-F28 HydrophobicContact CD1-CE2 3.35Å; F17-F28 HydrophobicContact CD1-CZ 4.39Å; F17-F28 AromaticContact CE1-CD2 3.73Å; F17-F28 HydrophobicContact CE1-CD2 3.73Å; F17-F28 AromaticContact CE1-CE2 3.62Å; F17-F28 HydrophobicContact CE1-CE2 3.62Å; F17-I31 HydrophobicContact CD1-CD1 4.09Å; F17-I31 HydrophobicContact CE1-CD1 4.41Å
18K84.2Confident85.6Confident65 Ų6582.3 Ų82.328%0.28345%0.453SS..Hα-helixtrans-56.7-48.8173.8178.9177.9-179.51690111.9V14 K15 S20 C21 S22 F28 Y50V14-K18 WeakPolarHBondContact O-CB 3.5Å; V14-K18 PolarHBondContact O-N 2.91Å; K15-K18 PolarHBondContact O-N 2.84Å; K18-S20 VanDerWaalsContact C-N 3.26Å; K18-S20 PolarHBondContact O-N 3.39Å; K18-C21 WeakPolarHBondContact O-CB 3Å; K18-C21 PolarHBondContact O-N 2.87Å; K18-S22 PolarHBondContact O-N 2.81Å; K18-S22 PolarHBondContact O-OG 2.96Å; K18-F28 HydrophobicContact CB-CB 4.39Å; K18-F28 HydrophobicContact CB-CD1 4.35Å; K18-F28 HydrophobicContact CB-CG 4.38Å; K18-F28 HydrophobicContact CG-CB 4.23Å; K18-Y50 HydrophobicContact CD-CE2 3.89Å; K18-Y50 WeakPolarHBondContact CD-OH 3.42Å; K18-Y50 WeakPolarHBondContact CE-OH 3.46Å; K18-Y50 PolarHBondContact NZ-OH 2.87Å
19L86.6Confident85.4Confident92 Ų9282.8 Ų82.848%0.48246%0.458SS..Hα-helixtrans-59.9-37.8177.2-76.6168.2000111.9K15 Q16 F17 S22 K23K15-L19 WeakPolarHBondContact O-CG 3.36Å; K15-L19 PolarHBondContact O-N 3.44Å; Q16-L19 PolarHBondContact O-N 2.86Å; F17-L19 PolarHBondContact O-N 3.49Å; L19-S22 PolarHBondContact O-N 2.95Å; L19-K23 WeakPolarHBondContact O-CG 3.41Å; L19-K23 PolarHBondContact O-N 3.01Å
20S88.9Confident85.2Confident59 Ų5983 Ų8341%0.41346%0.458SS..Hα-helixtrans-66-42176.3-59.30000111.8Q16 F17 K18 K23 I24Q16-S20 WeakPolarHBondContact O-CB 3.16Å; Q16-S20 PolarHBondContact O-N 3.29Å; Q16-S20 PolarHBondContact O-OG 3.37Å; F17-S20 WeakPolarHBondContact O-CB 3.3Å; F17-S20 PolarHBondContact O-N 3.43Å; F17-S20 VanDerWaalsContact O-N 3.14Å; K18-S20 VanDerWaalsContact C-N 3.26Å; K18-S20 PolarHBondContact O-N 3.39Å; S20-K23 PolarHBondContact O-N 3.22Å; S20-I24 PolarHBondContact O-N 2.85Å
21C85.1Confident85Confident19 Ų1982 Ų8213%0.12845%0.45CS..Hα-helixtrans-62.2-43.5172.2-66.20000112F17 K18 K23 I24 G25 A26 F28F17-C21 PolarHBondContact O-N 3.39Å; F17-C21 PolarHBondContact O-SG 3.18Å; K18-C21 WeakPolarHBondContact O-CB 3Å; K18-C21 PolarHBondContact O-N 2.87Å; C21-K23 VanDerWaalsContact C-N 3.29Å; C21-K23 PolarHBondContact O-N 3.29Å; C21-I24 WeakPolarHBondContact O-CG1 3.49Å; C21-I24 PolarHBondContact O-N 2.87Å; C21-I24 VanDerWaalsContact O-N 3.14Å; C21-G25 PolarHBondContact O-N 3.44Å; C21-A26 CarbonylContact C-O 3.21Å; C21-A26 HydrophobicContact CB-CB 4.45Å; C21-A26 WeakPolarHBondContact CB-O 3.35Å; C21-A26 PolarHBondContact O-N 2.63Å; C21-A26 VanDerWaalsContact O-O 3.07Å; C21-F28 HydrophobicContact CB-CB 4.17Å
22S85.9Confident84.9Confident72 Ų7283.6 Ų83.650%0.50345%0.452SS..Hα-helixtrans-59.1-38.2176.8-69.70000112.8K18 L19 I24 G25K18-S22 PolarHBondContact O-N 2.81Å; K18-S22 PolarHBondContact O-OG 2.96Å; L19-S22 PolarHBondContact O-N 2.95Å; S22-I24 VanDerWaalsContact C-N 3.27Å; S22-I24 PolarHBondContact O-N 3.29Å; S22-G25 PolarHBondContact O-N 3.33Å; S22-G25 VanDerWaalsContact O-N 3.15Å
23K88.7Confident84.6Confident171 Ų17184 Ų8474%0.74345%0.453SS*.Hα-helixtrans-63.4-30.9177.9-74.2171.8-176.3177.40113.4L19 S20 C21L19-K23 WeakPolarHBondContact O-CG 3.41Å; L19-K23 PolarHBondContact O-N 3.01Å; S20-K23 PolarHBondContact O-N 3.22Å; C21-K23 VanDerWaalsContact C-N 3.29Å; C21-K23 PolarHBondContact O-N 3.29Å
24I87.7Confident84.2Confident134 Ų13486 Ų8669%0.68745%0.451SS*.THydrogen-bonded Turntrans-947.9178.462.8170.8000112.7S20 C21 S22 A26S20-I24 PolarHBondContact O-N 2.85Å; C21-I24 WeakPolarHBondContact O-CG1 3.49Å; C21-I24 PolarHBondContact O-N 2.87Å; C21-I24 VanDerWaalsContact O-N 3.14Å; S22-I24 VanDerWaalsContact C-N 3.27Å; S22-I24 PolarHBondContact O-N 3.29Å; I24-A26 HydrophobicContact CD1-CB 4Å; I24-A26 HydrophobicContact CG1-CB 3.87Å; I24-A26 PolarHBondContact O-N 3.08Å
25G85.7Confident84Confident72 Ų7288.2 Ų88.274%0.74246%0.462SS*.THydrogen-bonded Turntrans71.215.9-178.500000114.4C21 S22C21-G25 PolarHBondContact O-N 3.44Å; S22-G25 PolarHBondContact O-N 3.33Å; S22-G25 VanDerWaalsContact O-N 3.15Å
26A82.4Confident83.6Confident41 Ų4191 Ų9134%0.33948%0.476SS..  trans-98.3137.9178.600000111.1C21 I24C21-A26 CarbonylContact C-O 3.21Å; C21-A26 HydrophobicContact CB-CB 4.45Å; C21-A26 WeakPolarHBondContact CB-O 3.35Å; C21-A26 PolarHBondContact O-N 2.63Å; C21-A26 VanDerWaalsContact O-O 3.07Å; I24-A26 HydrophobicContact CD1-CB 4Å; I24-A26 HydrophobicContact CG1-CB 3.87Å; I24-A26 PolarHBondContact O-N 3.08Å
27N77.7Confident83.3Confident149 Ų14994.3 Ų94.380%0.79749%0.485SS*.  trans-84.9119175.1-77.6-28.2000110.8T29N27-T29 PolarHBondContact O-N 3.29Å; N27-T29 VanDerWaalsContact O-N 3.15Å
28F77.3Confident83Confident18 Ų1893 Ų938%0.07948%0.479CS..  trans-69.2107.1171.3-179.2-102.4000110.3V14 F17 K18 C21 I31 Y50V14-F28 HydrophobicContact CG1-CE1 4.31Å; V14-F28 HydrophobicContact CG1-CZ 4.47Å; F17-F28 AromaticContact CD1-CD2 3.52Å; F17-F28 HydrophobicContact CD1-CD2 3.52Å; F17-F28 AromaticContact CD1-CE2 3.35Å; F17-F28 HydrophobicContact CD1-CE2 3.35Å; F17-F28 HydrophobicContact CD1-CZ 4.39Å; F17-F28 AromaticContact CE1-CD2 3.73Å; F17-F28 HydrophobicContact CE1-CD2 3.73Å; F17-F28 AromaticContact CE1-CE2 3.62Å; F17-F28 HydrophobicContact CE1-CE2 3.62Å; K18-F28 HydrophobicContact CB-CB 4.39Å; K18-F28 HydrophobicContact CB-CD1 4.35Å; K18-F28 HydrophobicContact CB-CG 4.38Å; K18-F28 HydrophobicContact CG-CB 4.23Å; C21-F28 HydrophobicContact CB-CB 4.17Å; F28-I31 HydrophobicContact CE2-CD1 3.42Å; F28-I31 VanDerWaalsContact CE2-CD1 3.42Å; F28-I31 HydrophobicContact CE2-CG1 3.33Å; F28-I31 HydrophobicContact CZ-CB 4.43Å; F28-I31 HydrophobicContact CZ-CD1 3.33Å; F28-I31 HydrophobicContact CZ-CG1 3.41Å; F28-I31 VanDerWaalsContact CZ-CG1 3.41Å; F28-Y50 HydrophobicContact CD1-CD1 4.24Å; F28-Y50 AromaticContact CD1-CE1 3.37Å; F28-Y50 HydrophobicContact CD1-CE1 3.37Å; F28-Y50 AromaticContact CD1-CZ 3.66Å; F28-Y50 AromaticContact CE1-CD1 3.79Å; F28-Y50 HydrophobicContact CE1-CD1 3.79Å; F28-Y50 AromaticContact CE1-CE1 3.38Å; F28-Y50 HydrophobicContact CE1-CE1 3.38Å
29T80.6Confident82.9Confident89 Ų8990.7 Ų90.755%0.54647%0.472SS..  trans-102.5-52.7-176.935.10000112N27 D43 V44N27-T29 PolarHBondContact O-N 3.29Å; N27-T29 VanDerWaalsContact O-N 3.15Å; T29-D43 VanDerWaalsContact O-OD1 3.07Å; T29-V44 WeakPolarHBondContact O-CG2 3.4Å
30K82.6Confident82.7Confident132 Ų13286.4 Ų86.457%0.57445%0.45SS*.EExtended strand (participates in β ladder)trans-151.8152.8-177.963177.9-177.3172.90113.2I42K30-I42 CarbonylContact C-O 3.57Å; K30-I42 VanDerWaalsContact CA-O 3.23Å; K30-I42 WeakPolarHBondContact CA-O 3.31Å
31I83.1Confident82.5Confident35 Ų3585.8 Ų85.818%0.17944%0.44CS..EExtended strand (participates in β ladder)trans-120134.1163.2-66.4167.2000108.3F17 F28 L33 F41 I42F17-I31 HydrophobicContact CD1-CD1 4.09Å; F17-I31 HydrophobicContact CE1-CD1 4.41Å; F28-I31 HydrophobicContact CE2-CD1 3.42Å; F28-I31 VanDerWaalsContact CE2-CD1 3.42Å; F28-I31 HydrophobicContact CE2-CG1 3.33Å; F28-I31 HydrophobicContact CZ-CB 4.43Å; F28-I31 HydrophobicContact CZ-CD1 3.33Å; F28-I31 HydrophobicContact CZ-CG1 3.41Å; F28-I31 VanDerWaalsContact CZ-CG1 3.41Å; I31-L33 HydrophobicContact CG2-CD1 4.01Å; I31-L33 HydrophobicContact CG2-CG 4.17Å; I31-F41 WeakPolarHBondContact O-CA 3.23Å; I31-I42 HydrophobicContact CB-CB 4.1Å; I31-I42 HydrophobicContact CB-CG1 4.45Å; I31-I42 HydrophobicContact CD1-CD1 4.39Å; I31-I42 PolarHBondContact N-O 3.14Å; I31-I42 PolarHBondContact O-N 3.36Å
32E83.2Confident82.4Confident84 Ų8485.4 Ų85.439%0.39344%0.436SS..EExtended strand (participates in β ladder)trans-120.6117.8168.1-179.7171.5178.800108.1R34 F41E32-R34 HydrophobicContact CG-CG 4.43Å; E32-R34 IonicContact OE1-CZ 3.04Å; E32-R34 IonicContact OE1-NE 2.89Å; E32-R34 PolarHBondContact OE1-NE 3.3Å; E32-R34 IonicContact OE1-NH1 3.05Å; E32-R34 PolarHBondContact OE1-NH1 3.12Å; E32-R34 IonicContact OE1-NH2 3.06Å; E32-R34 PolarHBondContact OE1-NH2 2.95Å; E32-F41 HydrophobicContact CB-CD1 4.26Å; E32-F41 HydrophobicContact CB-CE1 4.41Å; E32-F41 VanDerWaalsContact CD-CE1 3.47Å; E32-F41 HydrophobicContact CG-CD1 3.82Å; E32-F41 HydrophobicContact CG-CE1 3.51Å; E32-F41 HydrophobicContact CG-CZ 4.37Å; E32-F41 WeakPolarHBondContact OE1-CE1 3.47Å
33L82.9Confident82.3Confident96 Ų9683.9 Ų83.950%0.50342%0.423SS..EExtended strand (participates in β ladder)trans-111.8124.1176.4-97.9154.7000107.8I31 A39 A40I31-L33 HydrophobicContact CG2-CD1 4.01Å; I31-L33 HydrophobicContact CG2-CG 4.17Å; L33-A39 CarbonylContact O-C 3.49Å; L33-A39 VanDerWaalsContact O-CA 3.31Å; L33-A39 WeakPolarHBondContact O-CA 3.48Å; L33-A40 HydrophobicContact CB-CB 4.13Å; L33-A40 PolarHBondContact N-O 2.91Å; L33-A40 PolarHBondContact O-N 2.8Å
34R81.1Confident81.8Confident136 Ų13678.7 Ų78.751%0.51341%0.405SS..EExtended strand (participates in β ladder)trans-129.4131175.9-77.2-179.5166.2154.72.9109.2E32 A39E32-R34 HydrophobicContact CG-CG 4.43Å; E32-R34 IonicContact OE1-CZ 3.04Å; E32-R34 IonicContact OE1-NE 2.89Å; E32-R34 PolarHBondContact OE1-NE 3.3Å; E32-R34 IonicContact OE1-NH1 3.05Å; E32-R34 PolarHBondContact OE1-NH1 3.12Å; E32-R34 IonicContact OE1-NH2 3.06Å; E32-R34 PolarHBondContact OE1-NH2 2.95Å; R34-A39 HydrophobicContact CG-CB 4.15Å
35N80.1Confident81.2Confident64 Ų6475.2 Ų75.234%0.34239%0.385SS..  trans-136.7-179.4163.87325.7000110Y37 F38N35-Y37 PolarHBondContact O-N 2.65Å; N35-Y37 WeakPolarHBondContact OD1-CA 3.43Å; N35-Y37 WeakPolarHBondContact OD1-CB 3.48Å; N35-Y37 PolarHBondContact OD1-N 3.04Å; N35-F38 PolarHBondContact N-O 2.83Å; N35-F38 WeakPolarHBondContact ND2-CD1 3Å; N35-F38 WeakPolarHBondContact ND2-CE1 3.36Å; N35-F38 WeakPolarHBondContact OD1-CD1 3.4Å; N35-F38 PolarHBondContact OD1-N 2.81Å; N35-F38 PolarHBondContact OD1-O 3.09Å
36H79.3Confident80.8Confident164 Ų16473.9 Ų73.976%0.75936%0.363SS*.SBendtrans-66.5-15.9-176.9-43.7-67.1000114
37Y78.8Confident80.3Confident185 Ų18576.9 Ų76.973%0.72538%0.381SS*.SBendtrans-105.9-33.8-174.9-59.1-77.9000112.9N35N35-Y37 PolarHBondContact O-N 2.65Å; N35-Y37 WeakPolarHBondContact OD1-CA 3.43Å; N35-Y37 WeakPolarHBondContact OD1-CB 3.48Å; N35-Y37 PolarHBondContact OD1-N 3.04Å
38F81.5Confident80.3Confident77 Ų7776.6 Ų76.634%0.33838%0.38SS..EExtended strand (participates in β ladder)trans-153.4157.3-175.877.2-94000112.5N35 A40 V54 C55N35-F38 PolarHBondContact N-O 2.83Å; N35-F38 WeakPolarHBondContact ND2-CD1 3Å; N35-F38 WeakPolarHBondContact ND2-CE1 3.36Å; N35-F38 WeakPolarHBondContact OD1-CD1 3.4Å; N35-F38 PolarHBondContact OD1-N 2.81Å; N35-F38 PolarHBondContact OD1-O 3.09Å; F38-A40 HydrophobicContact CD2-CB 4.03Å; F38-A40 HydrophobicContact CE2-CB 3.77Å; F38-V54 HydrophobicContact CB-CG1 4.49Å; F38-V54 HydrophobicContact CD2-CG1 4.13Å; F38-C55 CarbonylContact C-O 3.49Å; F38-C55 VanDerWaalsContact CA-O 3.29Å; F38-C55 WeakPolarHBondContact CA-O 3.26Å
39A81.9Confident80.3Confident15 Ų1578.8 Ų78.812%0.12440%0.395CS..EExtended strand (participates in β ladder)trans-116136.6163.900000109.2L33 R34 F41 V54 C55L33-A39 CarbonylContact O-C 3.49Å; L33-A39 VanDerWaalsContact O-CA 3.31Å; L33-A39 WeakPolarHBondContact O-CA 3.48Å; R34-A39 HydrophobicContact CG-CB 4.15Å; A39-F41 HydrophobicContact CB-CE2 3.76Å; A39-F41 HydrophobicContact CB-CZ 4.22Å; A39-V54 CarbonylContact O-C 3.59Å; A39-V54 WeakPolarHBondContact O-CA 3.3Å; A39-C55 PolarHBondContact N-O 2.97Å; A39-C55 PolarHBondContact O-N 3.11Å
40A83.3Confident80.4Confident2 Ų277.6 Ų77.62%0.01738%0.381CS..EExtended strand (participates in β ladder)trans-126.5133.6174.200000110.1L33 F38 M52 V53 V54L33-A40 HydrophobicContact CB-CB 4.13Å; L33-A40 PolarHBondContact N-O 2.91Å; L33-A40 PolarHBondContact O-N 2.8Å; F38-A40 HydrophobicContact CD2-CB 4.03Å; F38-A40 HydrophobicContact CE2-CB 3.77Å; A40-M52 HydrophobicContact CB-CE 4.2Å; A40-V53 CarbonylContact C-O 3.59Å; A40-V53 VanDerWaalsContact CA-O 3.26Å; A40-V53 WeakPolarHBondContact CA-O 3.48Å; A40-V54 HydrophobicContact CB-CG2 4.23Å
41F82.9Confident80.3Confident46 Ų4673.3 Ų73.320%0.20236%0.363CS..EExtended strand (participates in β ladder)trans-122.3128.9179.3-59.5-91.8000108.4I31 E32 A39 M52 V53 F69I31-F41 WeakPolarHBondContact O-CA 3.23Å; E32-F41 HydrophobicContact CB-CD1 4.26Å; E32-F41 HydrophobicContact CB-CE1 4.41Å; E32-F41 VanDerWaalsContact CD-CE1 3.47Å; E32-F41 HydrophobicContact CG-CD1 3.82Å; E32-F41 HydrophobicContact CG-CE1 3.51Å; E32-F41 HydrophobicContact CG-CZ 4.37Å; E32-F41 WeakPolarHBondContact OE1-CE1 3.47Å; A39-F41 HydrophobicContact CB-CE2 3.76Å; A39-F41 HydrophobicContact CB-CZ 4.22Å; F41-M52 CarbonylContact O-C 3.53Å; F41-M52 VanDerWaalsContact O-CA 3.26Å; F41-M52 WeakPolarHBondContact O-CA 3.38Å; F41-V53 PolarHBondContact N-O 3.48Å; F41-V53 PolarHBondContact O-N 3.29Å; F41-F69 HydrophobicContact CB-CZ 4.08Å
42I84.7Confident80.4Confident11 Ų1175.5 Ų75.56%0.05637%0.374CS..EExtended strand (participates in β ladder)trans-120122173.6-51.4-178.5000107.1V14 K30 I31 Y50 I51 M52V14-I42 HydrophobicContact CG1-CG2 4.28Å; V14-I42 HydrophobicContact CG2-CD1 3.46Å; V14-I42 VanDerWaalsContact CG2-CD1 3.46Å; K30-I42 CarbonylContact C-O 3.57Å; K30-I42 VanDerWaalsContact CA-O 3.23Å; K30-I42 WeakPolarHBondContact CA-O 3.31Å; I31-I42 HydrophobicContact CB-CB 4.1Å; I31-I42 HydrophobicContact CB-CG1 4.45Å; I31-I42 HydrophobicContact CD1-CD1 4.39Å; I31-I42 PolarHBondContact N-O 3.14Å; I31-I42 PolarHBondContact O-N 3.36Å; I42-Y50 HydrophobicContact CG2-CD1 4.3Å; I42-I51 VanDerWaalsContact CA-O 3.3Å; I42-I51 WeakPolarHBondContact CA-O 3.48Å; I42-M52 HydrophobicContact CD1-CG 4.39Å; I42-M52 HydrophobicContact CD1-SD 4Å; I42-M52 HydrophobicContact CG1-CB 4.1Å; I42-M52 HydrophobicContact CG1-CG 3.92Å; I42-M52 HydrophobicContact CG1-SD 4.19Å
43D83.1Confident80.3Confident40 Ų4073.5 Ų73.521%0.21437%0.367CS..EExtended strand (participates in β ladder)trans-135.5157.2179.9-150.3-19.9000110.6T29 F45 Y50 I51T29-D43 VanDerWaalsContact O-OD1 3.07Å; D43-F45 PolarHBondContact O-N 2.94Å; D43-Y50 VanDerWaalsContact O-CA 3.31Å; D43-Y50 WeakPolarHBondContact O-CA 3.14Å; D43-Y50 WeakPolarHBondContact O-CD1 3.26Å; D43-I51 HydrophobicContact CB-CG2 4.49Å; D43-I51 PolarHBondContact N-O 2.98Å; D43-I51 PolarHBondContact O-N 3.39Å
44V79.2Confident80.1Confident62 Ų6272.2 Ų72.238%0.37636%0.363SS..EExtended strand (participates in β ladder)trans-65.3122.2173.3177.60000108.3T29 T46 Y50T29-V44 WeakPolarHBondContact O-CG2 3.4Å; V44-T46 VanDerWaalsContact CG1-O 3.27Å; V44-T46 WeakPolarHBondContact CG1-O 3.48Å; V44-Y50 HydrophobicContact CB-CE1 4.21Å; V44-Y50 HydrophobicContact CG2-CD1 4.09Å; V44-Y50 HydrophobicContact CG2-CE1 3.35Å
45F74.4Confident79.9Confident61 Ų6167.2 Ų67.227%0.26835%0.349SS..SBendtrans-97.8-44.3174-171.6-118.8000110.8D43 T49 I51 I73 Y77D43-F45 PolarHBondContact O-N 2.94Å; F45-T49 WeakPolarHBondContact CA-O 3.41Å; F45-T49 WeakPolarHBondContact CB-O 3.34Å; F45-T49 WeakPolarHBondContact CD1-OG1 3.43Å; F45-T49 PolarHBondContact N-O 2.92Å; F45-I51 HydrophobicContact CB-CB 4.21Å; F45-I51 HydrophobicContact CB-CG2 4.25Å; F45-I51 HydrophobicContact CD2-CB 4.37Å; F45-I51 HydrophobicContact CD2-CG2 4.33Å; F45-I51 HydrophobicContact CG-CB 4.45Å; F45-I73 HydrophobicContact CD2-CG2 3.91Å; F45-I73 HydrophobicContact CE2-CG2 3.73Å; F45-Y77 HydrophobicContact CD1-CD2 4.31Å; F45-Y77 AromaticContact CD1-CE2 3.59Å; F45-Y77 HydrophobicContact CD1-CE2 3.59Å; F45-Y77 AromaticContact CD2-CD2 3.81Å; F45-Y77 HydrophobicContact CD2-CD2 3.81Å; F45-Y77 AromaticContact CD2-CE2 3.74Å; F45-Y77 HydrophobicContact CD2-CE2 3.74Å; F45-Y77 AromaticContact CE1-CD2 3.6Å; F45-Y77 HydrophobicContact CE1-CD2 3.6Å; F45-Y77 HydrophobicContact CE1-CE1 4.35Å; F45-Y77 AromaticContact CE1-CE2 3.11Å; F45-Y77 HydrophobicContact CE1-CE2 3.11Å; F45-Y77 HydrophobicContact CE1-CG 4.32Å; F45-Y77 AromaticContact CE1-CZ 3.52Å; F45-Y77 AromaticContact CE2-CD2 3Å; F45-Y77 HydrophobicContact CE2-CD2 3Å; F45-Y77 AromaticContact CE2-CE2 3.31Å; F45-Y77 HydrophobicContact CE2-CE2 3.31Å; F45-Y77 AromaticContact CE2-CG 3.93Å; F45-Y77 HydrophobicContact CE2-CG 3.93Å; F45-Y77 HydrophobicContact CG-CD2 4.42Å; F45-Y77 AromaticContact CG-CE2 3.89Å; F45-Y77 HydrophobicContact CG-CE2 3.89Å; F45-Y77 HydrophobicContact CZ-CD1 4.26Å; F45-Y77 AromaticContact CZ-CD2 2.9Å; F45-Y77 HydrophobicContact CZ-CD2 2.9Å; F45-Y77 HydrophobicContact CZ-CE1 4.35Å; F45-Y77 AromaticContact CZ-CE2 2.99Å; F45-Y77 HydrophobicContact CZ-CE2 2.99Å; F45-Y77 AromaticContact CZ-CG 3.54Å; F45-Y77 HydrophobicContact CZ-CG 3.54Å; F45-Y77 AromaticContact CZ-CZ 3.74Å
46T76.6Confident79.5Confident44 Ų4468.3 Ų68.327%0.2736%0.361SS..SBendtrans-139.9178.5167.572.90000109.6V44 N48 T49 Y77V44-T46 VanDerWaalsContact CG1-O 3.27Å; V44-T46 WeakPolarHBondContact CG1-O 3.48Å; T46-N48 PolarHBondContact O-N 3.44Å; T46-N48 PolarHBondContact OG1-N 2.91Å; T46-T49 WeakPolarHBondContact CB-OG1 3.44Å; T46-T49 WeakPolarHBondContact CG2-OG1 3.43Å; T46-T49 PolarHBondContact N-O 2.83Å; T46-T49 PolarHBondContact N-OG1 3.45Å; T46-T49 PolarHBondContact O-N 3.31Å; T46-T49 VanDerWaalsContact O-O 3.07Å; T46-T49 PolarHBondContact OG1-N 3.48Å; T46-T49 VanDerWaalsContact OG1-N 3.08Å; T46-T49 PolarHBondContact OG1-OG1 3.23Å; T46-Y77 HydrophobicContact CG2-CE2 4.31Å; T46-Y77 WeakPolarHBondContact CG2-OH 3.24Å
47S72.5Confident78.5Confident105 Ų10567 Ų6773%0.73436%0.36SS*.SBendtrans-48.2-31.7174.7-44.20000113.7
48N76.6Confident77.4Confident142 Ų14262.2 Ų62.276%0.75935%0.346SS*.SBendtrans-120.7-5.7-174.9-64.5-21.8000114.5T46T46-N48 PolarHBondContact O-N 3.44Å; T46-N48 PolarHBondContact OG1-N 2.91Å
49T77.2Confident76.1Confident64 Ų6463.2 Ų63.239%0.39336%0.361SS..  trans-120.6138.7-178.757.20000111F45 T46F45-T49 WeakPolarHBondContact CA-O 3.41Å; F45-T49 WeakPolarHBondContact CB-O 3.34Å; F45-T49 WeakPolarHBondContact CD1-OG1 3.43Å; F45-T49 PolarHBondContact N-O 2.92Å; T46-T49 WeakPolarHBondContact CB-OG1 3.44Å; T46-T49 WeakPolarHBondContact CG2-OG1 3.43Å; T46-T49 PolarHBondContact N-O 2.83Å; T46-T49 PolarHBondContact N-OG1 3.45Å; T46-T49 PolarHBondContact O-N 3.31Å; T46-T49 VanDerWaalsContact O-O 3.07Å; T46-T49 PolarHBondContact OG1-N 3.48Å; T46-T49 VanDerWaalsContact OG1-N 3.08Å; T46-T49 PolarHBondContact OG1-OG1 3.23Å
50Y82.7Confident74.5Confident65 Ų6569.4 Ų69.426%0.25539%0.39SS..EExtended strand (participates in β ladder)trans-114.3142.2172.5-69.5-92.9000108.5K18 F28 I42 D43 V44K18-Y50 HydrophobicContact CD-CE2 3.89Å; K18-Y50 WeakPolarHBondContact CD-OH 3.42Å; K18-Y50 WeakPolarHBondContact CE-OH 3.46Å; K18-Y50 PolarHBondContact NZ-OH 2.87Å; F28-Y50 HydrophobicContact CD1-CD1 4.24Å; F28-Y50 AromaticContact CD1-CE1 3.37Å; F28-Y50 HydrophobicContact CD1-CE1 3.37Å; F28-Y50 AromaticContact CD1-CZ 3.66Å; F28-Y50 AromaticContact CE1-CD1 3.79Å; F28-Y50 HydrophobicContact CE1-CD1 3.79Å; F28-Y50 AromaticContact CE1-CE1 3.38Å; F28-Y50 HydrophobicContact CE1-CE1 3.38Å; I42-Y50 HydrophobicContact CG2-CD1 4.3Å; D43-Y50 VanDerWaalsContact O-CA 3.31Å; D43-Y50 WeakPolarHBondContact O-CA 3.14Å; D43-Y50 WeakPolarHBondContact O-CD1 3.26Å; V44-Y50 HydrophobicContact CB-CE1 4.21Å; V44-Y50 HydrophobicContact CG2-CD1 4.09Å; V44-Y50 HydrophobicContact CG2-CE1 3.35Å
51I82.2Confident72.9Confident41 Ų4172.8 Ų72.821%0.2143%0.425CS..EExtended strand (participates in β ladder)trans-102134.5171-172163.9000108.6I42 D43 F45 V53 I73I42-I51 VanDerWaalsContact CA-O 3.3Å; I42-I51 WeakPolarHBondContact CA-O 3.48Å; D43-I51 HydrophobicContact CB-CG2 4.49Å; D43-I51 PolarHBondContact N-O 2.98Å; D43-I51 PolarHBondContact O-N 3.39Å; F45-I51 HydrophobicContact CB-CB 4.21Å; F45-I51 HydrophobicContact CB-CG2 4.25Å; F45-I51 HydrophobicContact CD2-CB 4.37Å; F45-I51 HydrophobicContact CD2-CG2 4.33Å; F45-I51 HydrophobicContact CG-CB 4.45Å; I51-V53 HydrophobicContact CD1-CG2 4.46Å; I51-V53 HydrophobicContact CG1-CG2 4.24Å; I51-I73 HydrophobicContact CD1-CG1 4.27Å; I51-I73 HydrophobicContact CG2-CD1 3.97Å
52M83.7Confident71.2Confident82 Ų8278.4 Ų78.440%0.40445%0.449SS..EExtended strand (participates in β ladder)trans-116.3123.2172176.6170.3169.300109.2V10 A40 F41 I42 V54V10-M52 HydrophobicContact CG1-CE 4.06Å; V10-M52 HydrophobicContact CG1-SD 3.49Å; V10-M52 WeakPolarHBondContact CG1-SD 3.29Å; A40-M52 HydrophobicContact CB-CE 4.2Å; F41-M52 CarbonylContact O-C 3.53Å; F41-M52 VanDerWaalsContact O-CA 3.26Å; F41-M52 WeakPolarHBondContact O-CA 3.38Å; I42-M52 HydrophobicContact CD1-CG 4.39Å; I42-M52 HydrophobicContact CD1-SD 4Å; I42-M52 HydrophobicContact CG1-CB 4.1Å; I42-M52 HydrophobicContact CG1-CG 3.92Å; I42-M52 HydrophobicContact CG1-SD 4.19Å; M52-V54 HydrophobicContact CE-CG2 3.42Å; M52-V54 VanDerWaalsContact CE-CG2 3.42Å; M52-V54 HydrophobicContact CG-CG2 4.25Å
53V81Confident69.5Low42 Ų4284 Ų8426%0.25547%0.473SS..EExtended strand (participates in β ladder)trans-114.8124.9174.4-177.60000108.7A40 F41 I51 F69A40-V53 CarbonylContact C-O 3.59Å; A40-V53 VanDerWaalsContact CA-O 3.26Å; A40-V53 WeakPolarHBondContact CA-O 3.48Å; F41-V53 PolarHBondContact N-O 3.48Å; F41-V53 PolarHBondContact O-N 3.29Å; I51-V53 HydrophobicContact CD1-CG2 4.46Å; I51-V53 HydrophobicContact CG1-CG2 4.24Å; V53-F69 HydrophobicContact CB-CE2 3.64Å; V53-F69 HydrophobicContact CB-CZ 3.73Å; V53-F69 HydrophobicContact CG1-CE2 3.84Å; V53-F69 HydrophobicContact CG1-CZ 4.44Å; V53-F69 HydrophobicContact CG2-CE2 3.61Å; V53-F69 HydrophobicContact CG2-CZ 3.45Å; V53-F69 VanDerWaalsContact CG2-CZ 3.45Å
54V80.3Confident68.2Low68 Ų6885.5 Ų85.541%0.41248%0.48SS..EExtended strand (participates in β ladder)trans-109.8120.7175.2-174.70000108.3F38 A39 A40 M52F38-V54 HydrophobicContact CB-CG1 4.49Å; F38-V54 HydrophobicContact CD2-CG1 4.13Å; A39-V54 CarbonylContact O-C 3.59Å; A39-V54 WeakPolarHBondContact O-CA 3.3Å; A40-V54 HydrophobicContact CB-CG2 4.23Å; M52-V54 HydrophobicContact CE-CG2 3.42Å; M52-V54 VanDerWaalsContact CE-CG2 3.42Å; M52-V54 HydrophobicContact CG-CG2 4.25Å
55C77Confident67Low31 Ų3187.1 Ų87.121%0.20949%0.487CS..EExtended strand (participates in β ladder)trans-108.4112.8173.2-63.30000108.8F38 A39F38-C55 CarbonylContact C-O 3.49Å; F38-C55 VanDerWaalsContact CA-O 3.29Å; F38-C55 WeakPolarHBondContact CA-O 3.26Å; A39-C55 PolarHBondContact N-O 2.97Å; A39-C55 PolarHBondContact O-N 3.11Å
56S71.4Confident66.2Low87 Ų8789.7 Ų89.761%0.60850%0.498SS*.EExtended strand (participates in β ladder)trans-84.2137.2161.839.50000108.7
57D58.3Low65.2Low137 Ų13792.4 Ų92.473%0.73352%0.515SS*.  trans74.646.7171.7-51.1-40.9000118.7
58L54.8Low64.8Low84 Ų8491.1 Ų91.144%0.4450%0.499SS..  trans-97.9115.2161.2-125.569.6000110I60 K62 M64L58-I60 PolarHBondContact O-N 3.36Å; L58-I60 VanDerWaalsContact O-N 3.09Å; L58-K62 WeakPolarHBondContact CD2-O 3.26Å; L58-M64 HydrophobicContact CD2-CG 4.33Å
59P53.4Low64.3Low98 Ų9885.4 Ų85.464%0.63647%0.467SS*.  trans-54.7125.2167.621.3-29.4000107.2G61 K62P59-G61 PolarHBondContact O-N 3.47Å; P59-K62 PolarHBondContact O-N 3.24Å; P59-K62 VanDerWaalsContact O-N 3.12Å
60I49.9Very low63.8Low146 Ų14686.1 Ų86.175%0.74947%0.468SS*.THydrogen-bonded Turntrans-47.1-4.3-164.7-73.7150.1000116L58L58-I60 PolarHBondContact O-N 3.36Å; L58-I60 VanDerWaalsContact O-N 3.09Å
61G49.1Very low63.3Low72 Ų7286.7 Ų86.774%0.74248%0.482SS*.THydrogen-bonded Turntrans-107.7-8-179.500000117.5P59 F63P59-G61 PolarHBondContact O-N 3.47Å; G61-F63 PolarHBondContact O-N 2.8Å
62K47.7Very low62.8Low164 Ų16490.4 Ų90.471%0.71350%0.497SS*.  trans-9988176.5-72.9-171.6-179.3177.40109.9L58 P59 M64L58-K62 WeakPolarHBondContact CD2-O 3.26Å; P59-K62 PolarHBondContact O-N 3.24Å; P59-K62 VanDerWaalsContact O-N 3.12Å; K62-M64 PolarHBondContact O-N 2.82Å
63F49.4Very low62.1Low128 Ų12887.7 Ų87.756%0.56148%0.484SS*.  trans-44.3113.1161-128.3-96.3000107.1G61 N65G61-F63 PolarHBondContact O-N 2.8Å; F63-N65 PolarHBondContact O-N 3.27Å
64M54.1Low61.7Low72 Ų7289.8 Ų89.836%0.35550%0.496SS..  trans-56.7105.7153.7-100-155.9130.100103.8L58 K62 F66 I68 F69 F72L58-M64 HydrophobicContact CD2-CG 4.33Å; K62-M64 PolarHBondContact O-N 2.82Å; M64-F66 PolarHBondContact O-N 2.82Å; M64-F66 VanDerWaalsContact O-N 3.1Å; M64-I68 HydrophobicContact CE-CG2 3.94Å; M64-F69 HydrophobicContact SD-CD2 4.47Å; M64-F72 HydrophobicContact CE-CD2 4.35Å; M64-F72 HydrophobicContact CE-CE2 4.26Å
65N55.2Low61.6Low97 Ų9793.2 Ų93.252%0.51950%0.503SS..  trans-49125.8177.7-82-68.1000106.6F63 T67 I68 F69F63-N65 PolarHBondContact O-N 3.27Å; N65-T67 CarbonylContact O-C 3.55Å; N65-T67 PolarHBondContact O-N 2.87Å; N65-I68 HydrophobicContact CB-CD1 4.23Å; N65-I68 HydrophobicContact CB-CG1 4.24Å; N65-I68 WeakPolarHBondContact O-CA 3.31Å; N65-I68 PolarHBondContact O-N 2.78Å; N65-F69 PolarHBondContact O-N 2.86Å
66F57.7Low61.5Low114 Ų11499.2 Ų99.250%0.552%0.522SS..Hα-helixtrans-48.7-30.2-179.3-172.9-103.5000111.5M64 F69 L70M64-F66 PolarHBondContact O-N 2.82Å; M64-F66 VanDerWaalsContact O-N 3.1Å; F66-F69 PolarHBondContact O-N 3.17Å; F66-L70 HydrophobicContact CD1-CD1 3.59Å; F66-L70 HydrophobicContact CD1-CG 4.3Å; F66-L70 HydrophobicContact CE1-CD1 3.41Å; F66-L70 VanDerWaalsContact CE1-CD1 3.41Å; F66-L70 HydrophobicContact CE1-CG 4.06Å; F66-L70 HydrophobicContact CZ-CD1 4.27Å; F66-L70 WeakPolarHBondContact O-CB 3.24Å; F66-L70 PolarHBondContact O-N 2.91Å
67T54.6Low61.5Low101 Ų10199.1 Ų99.162%0.6251%0.509SS*.Hα-helixtrans-59.3-46.4171-40.60000114.4N65 F69 L70 S71N65-T67 CarbonylContact O-C 3.55Å; N65-T67 PolarHBondContact O-N 2.87Å; T67-F69 VanDerWaalsContact C-N 3.32Å; T67-L70 PolarHBondContact O-N 3.34Å; T67-S71 PolarHBondContact O-N 2.89Å; T67-S71 PolarHBondContact O-OG 3.39Å
68I63.7Low62.3Low79 Ų7995.8 Ų95.841%0.40550%0.497SS..Hα-helixtrans-66.8-40.8178-64173.1000109.2M64 N65 S71 F72M64-I68 HydrophobicContact CE-CG2 3.94Å; N65-I68 HydrophobicContact CB-CD1 4.23Å; N65-I68 HydrophobicContact CB-CG1 4.24Å; N65-I68 WeakPolarHBondContact O-CA 3.31Å; N65-I68 PolarHBondContact O-N 2.78Å; I68-S71 WeakPolarHBondContact O-CB 3.22Å; I68-S71 PolarHBondContact O-N 3.02Å; I68-F72 HydrophobicContact CG2-CD2 3.71Å; I68-F72 HydrophobicContact CG2-CE2 3.71Å; I68-F72 VanDerWaalsContact O-CD2 3.3Å; I68-F72 WeakPolarHBondContact O-CD2 3.38Å; I68-F72 PolarHBondContact O-N 2.87Å
69F66.1Low63.2Low22 Ų2297.8 Ų97.810%0.09650%0.499CS..Hα-helixtrans-62.7-46176.9-166.5-101.9000112F41 V53 M64 N65 F66 T67 S71 F72 I73F41-F69 HydrophobicContact CB-CZ 4.08Å; V53-F69 HydrophobicContact CB-CE2 3.64Å; V53-F69 HydrophobicContact CB-CZ 3.73Å; V53-F69 HydrophobicContact CG1-CE2 3.84Å; V53-F69 HydrophobicContact CG1-CZ 4.44Å; V53-F69 HydrophobicContact CG2-CE2 3.61Å; V53-F69 HydrophobicContact CG2-CZ 3.45Å; V53-F69 VanDerWaalsContact CG2-CZ 3.45Å; M64-F69 HydrophobicContact SD-CD2 4.47Å; N65-F69 PolarHBondContact O-N 2.86Å; F66-F69 PolarHBondContact O-N 3.17Å; T67-F69 VanDerWaalsContact C-N 3.32Å; F69-S71 VanDerWaalsContact C-N 3.35Å; F69-S71 PolarHBondContact O-N 3.45Å; F69-F72 PolarHBondContact O-N 3.42Å; F69-I73 HydrophobicContact CD1-CD1 3.62Å; F69-I73 HydrophobicContact CD1-CG1 4.27Å; F69-I73 HydrophobicContact CE1-CD1 3.3Å; F69-I73 HydrophobicContact CE1-CG1 4.16Å; F69-I73 HydrophobicContact CZ-CD1 4.09Å; F69-I73 WeakPolarHBondContact O-CG1 3.49Å; F69-I73 PolarHBondContact O-N 2.95Å
70L66.5Low64Low79 Ų7996 Ų9641%0.41449%0.489SS..Hα-helixtrans-58.7-43.9171.6-87.5166.7000111.8F66 T67 F72 I73 V74F66-L70 HydrophobicContact CD1-CD1 3.59Å; F66-L70 HydrophobicContact CD1-CG 4.3Å; F66-L70 HydrophobicContact CE1-CD1 3.41Å; F66-L70 VanDerWaalsContact CE1-CD1 3.41Å; F66-L70 HydrophobicContact CE1-CG 4.06Å; F66-L70 HydrophobicContact CZ-CD1 4.27Å; F66-L70 WeakPolarHBondContact O-CB 3.24Å; F66-L70 PolarHBondContact O-N 2.91Å; T67-L70 PolarHBondContact O-N 3.34Å; L70-F72 VanDerWaalsContact C-N 3.33Å; L70-F72 PolarHBondContact O-N 3.38Å; L70-I73 PolarHBondContact O-N 3.33Å; L70-V74 WeakPolarHBondContact O-CB 3.27Å; L70-V74 VanDerWaalsContact O-CG2 3.22Å; L70-V74 WeakPolarHBondContact O-CG2 3.43Å; L70-V74 PolarHBondContact O-N 2.76Å
71S72.3Confident64.9Low77 Ų7793.3 Ų93.354%0.53848%0.476SS..Hα-helixtrans-60.7-41.1174.9-81.50000112.2T67 I68 F69 Y75T67-S71 PolarHBondContact O-N 2.89Å; T67-S71 PolarHBondContact O-OG 3.39Å; I68-S71 WeakPolarHBondContact O-CB 3.22Å; I68-S71 PolarHBondContact O-N 3.02Å; F69-S71 VanDerWaalsContact C-N 3.35Å; F69-S71 PolarHBondContact O-N 3.45Å; S71-Y75 WeakPolarHBondContact O-CB 3.38Å; S71-Y75 PolarHBondContact O-N 2.82Å
72F71.9Confident65.8Low118 Ų11895 Ų9552%0.51847%0.467SS..Hα-helixtrans-65.5-42.9175.4-90.9-77.2000112M64 I68 F69 L70 Y75 Y76M64-F72 HydrophobicContact CE-CD2 4.35Å; M64-F72 HydrophobicContact CE-CE2 4.26Å; I68-F72 HydrophobicContact CG2-CD2 3.71Å; I68-F72 HydrophobicContact CG2-CE2 3.71Å; I68-F72 VanDerWaalsContact O-CD2 3.3Å; I68-F72 WeakPolarHBondContact O-CD2 3.38Å; I68-F72 PolarHBondContact O-N 2.87Å; F69-F72 PolarHBondContact O-N 3.42Å; L70-F72 VanDerWaalsContact C-N 3.33Å; L70-F72 PolarHBondContact O-N 3.38Å; F72-Y75 PolarHBondContact O-N 3.36Å; F72-Y76 WeakPolarHBondContact O-CB 3.44Å; F72-Y76 PolarHBondContact O-N 2.99Å
73I70.7Confident66.4Low26 Ų2692.6 Ų92.613%0.13346%0.46CS..Hα-helixtrans-62.2-48.7175.9-71.8-177.2000110.6F45 I51 F69 L70 Y75 Y76 Y77F45-I73 HydrophobicContact CD2-CG2 3.91Å; F45-I73 HydrophobicContact CE2-CG2 3.73Å; I51-I73 HydrophobicContact CD1-CG1 4.27Å; I51-I73 HydrophobicContact CG2-CD1 3.97Å; F69-I73 HydrophobicContact CD1-CD1 3.62Å; F69-I73 HydrophobicContact CD1-CG1 4.27Å; F69-I73 HydrophobicContact CE1-CD1 3.3Å; F69-I73 HydrophobicContact CE1-CG1 4.16Å; F69-I73 HydrophobicContact CZ-CD1 4.09Å; F69-I73 WeakPolarHBondContact O-CG1 3.49Å; F69-I73 PolarHBondContact O-N 2.95Å; L70-I73 PolarHBondContact O-N 3.33Å; I73-Y75 VanDerWaalsContact C-N 3.31Å; I73-Y75 PolarHBondContact O-N 2.89Å; I73-Y76 PolarHBondContact O-N 3.13Å; I73-Y77 WeakPolarHBondContact O-CB 3.35Å; I73-Y77 PolarHBondContact O-N 2.99Å
74V72.4Confident66.9Low85 Ų8591.9 Ų91.952%0.51546%0.462SS..Hα-helixtrans-62.4-40.4178.5171.60000110.8L70 Y77 S78L70-V74 WeakPolarHBondContact O-CB 3.27Å; L70-V74 VanDerWaalsContact O-CG2 3.22Å; L70-V74 WeakPolarHBondContact O-CG2 3.43Å; L70-V74 PolarHBondContact O-N 2.76Å; V74-Y77 PolarHBondContact O-N 3.2Å; V74-S78 WeakPolarHBondContact O-CB 3.44Å; V74-S78 PolarHBondContact O-N 3.33Å; V74-S78 PolarHBondContact O-OG 3.18Å
75Y78.2Confident66.9Low141 Ų14197.9 Ų97.955%0.55348%0.48SS*.Hα-helixtrans-64.6-45.6175.9-167.9-92.4000111.4S71 F72 I73 S78 Y79S71-Y75 WeakPolarHBondContact O-CB 3.38Å; S71-Y75 PolarHBondContact O-N 2.82Å; F72-Y75 PolarHBondContact O-N 3.36Å; I73-Y75 VanDerWaalsContact C-N 3.31Å; I73-Y75 PolarHBondContact O-N 2.89Å; Y75-S78 PolarHBondContact O-N 2.73Å; Y75-Y79 AromaticContact CD1-CD2 3.99Å; Y75-Y79 HydrophobicContact CD1-CD2 3.99Å; Y75-Y79 HydrophobicContact CD1-CE2 4.5Å; Y75-Y79 AromaticContact CE1-CD2 3.44Å; Y75-Y79 HydrophobicContact CE1-CD2 3.44Å; Y75-Y79 VanDerWaalsContact CE1-CD2 3.44Å; Y75-Y79 AromaticContact CE1-CE2 3.53Å; Y75-Y79 HydrophobicContact CE1-CE2 3.53Å; Y75-Y79 AromaticContact CZ-CD2 3.81Å; Y75-Y79 AromaticContact CZ-CE2 3.56Å; Y75-Y79 WeakPolarHBondContact O-CB 2.91Å; Y75-Y79 PolarHBondContact O-N 3.48Å; Y75-Y79 WeakPolarHBondContact OH-CE2 3.34Å
76Y74.3Confident66.9Low157 Ų15799 Ų9962%0.61649%0.486SS*.Hα-helixtrans-61.4-44175-116.6-86.4000111.6F72 I73 S78 Y79 S80F72-Y76 WeakPolarHBondContact O-CB 3.44Å; F72-Y76 PolarHBondContact O-N 2.99Å; I73-Y76 PolarHBondContact O-N 3.13Å; Y76-S78 VanDerWaalsContact C-N 3.35Å; Y76-S78 PolarHBondContact O-N 2.98Å; Y76-Y79 PolarHBondContact O-N 3.15Å; Y76-S80 WeakPolarHBondContact O-CB 3.2Å; Y76-S80 PolarHBondContact O-N 3.14Å; Y76-S80 PolarHBondContact O-OG 3.34Å
77Y70.9Confident66.6Low84 Ų84100.1 Ų100.133%0.32950%0.496SS..Hα-helixtrans-59.7-47.5176-141.6-52.9000110.5F45 T46 I73 V74 Y79 S80 L81F45-Y77 HydrophobicContact CD1-CD2 4.31Å; F45-Y77 AromaticContact CD1-CE2 3.59Å; F45-Y77 HydrophobicContact CD1-CE2 3.59Å; F45-Y77 AromaticContact CD2-CD2 3.81Å; F45-Y77 HydrophobicContact CD2-CD2 3.81Å; F45-Y77 AromaticContact CD2-CE2 3.74Å; F45-Y77 HydrophobicContact CD2-CE2 3.74Å; F45-Y77 AromaticContact CE1-CD2 3.6Å; F45-Y77 HydrophobicContact CE1-CD2 3.6Å; F45-Y77 HydrophobicContact CE1-CE1 4.35Å; F45-Y77 AromaticContact CE1-CE2 3.11Å; F45-Y77 HydrophobicContact CE1-CE2 3.11Å; F45-Y77 HydrophobicContact CE1-CG 4.32Å; F45-Y77 AromaticContact CE1-CZ 3.52Å; F45-Y77 AromaticContact CE2-CD2 3Å; F45-Y77 HydrophobicContact CE2-CD2 3Å; F45-Y77 AromaticContact CE2-CE2 3.31Å; F45-Y77 HydrophobicContact CE2-CE2 3.31Å; F45-Y77 AromaticContact CE2-CG 3.93Å; F45-Y77 HydrophobicContact CE2-CG 3.93Å; F45-Y77 HydrophobicContact CG-CD2 4.42Å; F45-Y77 AromaticContact CG-CE2 3.89Å; F45-Y77 HydrophobicContact CG-CE2 3.89Å; F45-Y77 HydrophobicContact CZ-CD1 4.26Å; F45-Y77 AromaticContact CZ-CD2 2.9Å; F45-Y77 HydrophobicContact CZ-CD2 2.9Å; F45-Y77 HydrophobicContact CZ-CE1 4.35Å; F45-Y77 AromaticContact CZ-CE2 2.99Å; F45-Y77 HydrophobicContact CZ-CE2 2.99Å; F45-Y77 AromaticContact CZ-CG 3.54Å; F45-Y77 HydrophobicContact CZ-CG 3.54Å; F45-Y77 AromaticContact CZ-CZ 3.74Å; T46-Y77 HydrophobicContact CG2-CE2 4.31Å; T46-Y77 WeakPolarHBondContact CG2-OH 3.24Å; I73-Y77 WeakPolarHBondContact O-CB 3.35Å; I73-Y77 PolarHBondContact O-N 2.99Å; V74-Y77 PolarHBondContact O-N 3.2Å; Y77-Y79 VanDerWaalsContact C-N 3.29Å; Y77-Y79 PolarHBondContact O-N 3.43Å; Y77-S80 PolarHBondContact O-N 3.25Å; Y77-L81 HydrophobicContact CD1-CD1 4.16Å; Y77-L81 HydrophobicContact CE1-CD1 4.02Å; Y77-L81 VanDerWaalsContact O-CB 3.26Å; Y77-L81 WeakPolarHBondContact O-CB 3.5Å; Y77-L81 PolarHBondContact O-N 2.99Å
78S75.2Confident65.9Low68 Ų68108.2 Ų108.248%0.47652%0.518SS..Hα-helixtrans-60.1-41.4177.8-57.50000110.8V74 Y75 Y76 L82V74-S78 WeakPolarHBondContact O-CB 3.44Å; V74-S78 PolarHBondContact O-N 3.33Å; V74-S78 PolarHBondContact O-OG 3.18Å; Y75-S78 PolarHBondContact O-N 2.73Å; Y76-S78 VanDerWaalsContact C-N 3.35Å; Y76-S78 PolarHBondContact O-N 2.98Å; S78-L82 WeakPolarHBondContact O-CB 3.41Å; S78-L82 PolarHBondContact O-N 3.43Å
79Y75Confident66Low125 Ų125109.7 Ų109.749%0.4952%0.523SS..Hα-helixtrans-66.3-48176.5-116.8-91.7000112.8Y75 Y76 Y77 L81 L82 M83Y75-Y79 AromaticContact CD1-CD2 3.99Å; Y75-Y79 HydrophobicContact CD1-CD2 3.99Å; Y75-Y79 HydrophobicContact CD1-CE2 4.5Å; Y75-Y79 AromaticContact CE1-CD2 3.44Å; Y75-Y79 HydrophobicContact CE1-CD2 3.44Å; Y75-Y79 VanDerWaalsContact CE1-CD2 3.44Å; Y75-Y79 AromaticContact CE1-CE2 3.53Å; Y75-Y79 HydrophobicContact CE1-CE2 3.53Å; Y75-Y79 AromaticContact CZ-CD2 3.81Å; Y75-Y79 AromaticContact CZ-CE2 3.56Å; Y75-Y79 WeakPolarHBondContact O-CB 2.91Å; Y75-Y79 PolarHBondContact O-N 3.48Å; Y75-Y79 WeakPolarHBondContact OH-CE2 3.34Å; Y76-Y79 PolarHBondContact O-N 3.15Å; Y77-Y79 VanDerWaalsContact C-N 3.29Å; Y77-Y79 PolarHBondContact O-N 3.43Å; Y79-L81 VanDerWaalsContact C-N 3.34Å; Y79-L81 PolarHBondContact O-N 2.89Å; Y79-L82 PolarHBondContact O-N 3.12Å; Y79-M83 WeakPolarHBondContact O-CG 3.39Å; Y79-M83 PolarHBondContact O-N 2.92Å
80S69.3Low66Low62 Ų62114.3 Ų114.343%0.43455%0.546SS..Hα-helixtrans-61.4-42.3177.5-67.90000111.6Y76 Y77 L82 M83 D84Y76-S80 WeakPolarHBondContact O-CB 3.2Å; Y76-S80 PolarHBondContact O-N 3.14Å; Y76-S80 PolarHBondContact O-OG 3.34Å; Y77-S80 PolarHBondContact O-N 3.25Å; S80-L82 VanDerWaalsContact C-N 3.34Å; S80-L82 PolarHBondContact O-N 3.49Å; S80-M83 PolarHBondContact O-N 2.97Å; S80-D84 PolarHBondContact O-N 3.35Å
81L67.9Low65.9Low89 Ų89116.3 Ų116.347%0.46655%0.553SS.*Hα-helixtrans-69.4-32.3178.7-150.6117.6000112.4Y77 Y79 R85Y77-L81 HydrophobicContact CD1-CD1 4.16Å; Y77-L81 HydrophobicContact CE1-CD1 4.02Å; Y77-L81 VanDerWaalsContact O-CB 3.26Å; Y77-L81 WeakPolarHBondContact O-CB 3.5Å; Y77-L81 PolarHBondContact O-N 2.99Å; Y79-L81 VanDerWaalsContact C-N 3.34Å; Y79-L81 PolarHBondContact O-N 2.89Å; L81-R85 WeakPolarHBondContact O-CG 3.45Å; L81-R85 PolarHBondContact O-N 3.38Å; L81-R85 VanDerWaalsContact O-N 3.11Å
82L69.2Low65.6Low108 Ų108118.6 Ų118.657%0.56555%0.554SS**Hα-helixtrans-75.5-28.1176.8-161143.9000112.1S78 Y79 S80 N86S78-L82 WeakPolarHBondContact O-CB 3.41Å; S78-L82 PolarHBondContact O-N 3.43Å; Y79-L82 PolarHBondContact O-N 3.12Å; S80-L82 VanDerWaalsContact C-N 3.34Å; S80-L82 PolarHBondContact O-N 3.49Å; L82-N86 PolarHBondContact O-N 3.02Å; L82-N86 PolarHBondContact O-ND2 3.43Å; L82-N86 VanDerWaalsContact O-ND2 3.13Å
83M59.7Low65.2Low112 Ų112118.6 Ų118.655%0.55256%0.556SS**Hα-helixtrans-73.9-41.3169.9-73.7-67.6-17900112.1Y79 S80 R85 N86Y79-M83 WeakPolarHBondContact O-CG 3.39Å; Y79-M83 PolarHBondContact O-N 2.92Å; S80-M83 PolarHBondContact O-N 2.97Å; M83-R85 VanDerWaalsContact C-N 3.26Å; M83-R85 PolarHBondContact O-N 3.2Å; M83-N86 PolarHBondContact O-N 3.21Å; M83-N86 VanDerWaalsContact O-N 3.14Å
84D59Low64.8Low113 Ų113124.8 Ų124.860%0.60458%0.584SS**Hα-helixtrans-62.5-33.1173.5-98.8-38.5000112.4S80S80-D84 PolarHBondContact O-N 3.35Å
85R55.9Low64.2Low198 Ų198127.6 Ų127.675%0.74759%0.589SS**G310 helixtrans-75.7-18.6174.8-74.7-133.1-158.3-172.67.4114.9L81 M83 I87L81-R85 WeakPolarHBondContact O-CG 3.45Å; L81-R85 PolarHBondContact O-N 3.38Å; L81-R85 VanDerWaalsContact O-N 3.11Å; M83-R85 VanDerWaalsContact C-N 3.26Å; M83-R85 PolarHBondContact O-N 3.2Å; R85-I87 VanDerWaalsContact C-N 3.34Å
86N55.4Low63.2Low120 Ų120126.6 Ų126.664%0.64259%0.592SS**G310 helixtrans-902.9-179.5-99.3-67.9000113.7L82 M83L82-N86 PolarHBondContact O-N 3.02Å; L82-N86 PolarHBondContact O-ND2 3.43Å; L82-N86 VanDerWaalsContact O-ND2 3.13Å; M83-N86 PolarHBondContact O-N 3.21Å; M83-N86 VanDerWaalsContact O-N 3.14Å
87I50.8Low62.2Low138 Ų138124.1 Ų124.171%0.70859%0.59SS**G310 helixtrans-102-0.7177.9-62.6175.6000112R85R85-I87 VanDerWaalsContact C-N 3.34Å
88Y38.7Very low61.5Low272 Ų272127.7 Ų127.7100%1.06761%0.614SS**  trans-114.70176.6-71.4-78.4000113.4

Retrieved 88 of 88 residues in 59.7 ms (Link to these results)

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