A0A087YH88_POEFO Loading...

Cysteine-rich protein 2

AlphaFold DB , UniProt , Accession A0A087YH88, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 202 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M63.7Low85.6Confident243 Ų24388.3 Ų88.3100%1.19747%0.471SS*.  0131.30-73166.9178.100108
2A75.3Confident86Confident70 Ų7081.7 Ų81.758%0.57944%0.436SS*.PPolyproline II helixtrans-79.5129.117600000109.2T11A2-T11 HydrophobicContact CB-CG2 4.33Å
3S85.8Confident86.1Confident49 Ų4987.5 Ų87.534%0.34345%0.45SS..EExtended strand (participates in β ladder)trans-75137.4176.1-53.30000110.1V12 D24S3-V12 PolarHBondContact O-N 3.22Å; S3-D24 WeakPolarHBondContact CB-OD2 3.24Å; S3-D24 PolarHBondContact OG-OD2 2.57Å
4K90.4Very high86Confident148 Ų14893.4 Ų93.464%0.64347%0.471SS*.EExtended strand (participates in β ladder)trans-95.5141.1177.158.2178.81801730110.7
5C90.8Very high86Confident0 Ų092.7 Ų92.70%049%0.485CS..PPolyproline II helixtrans-76.9126.3176.7-177.90000110.2K7 C8 D9 K10 V12 D24 H26C5-K7 PolarHBondContact O-N 2.65Å; C5-K7 VanDerWaalsContact O-N 3.17Å; C5-C8 PolarHBondContact O-N 2.9Å; C5-D9 WeakPolarHBondContact O-CA 3.48Å; C5-D9 PolarHBondContact O-N 3.1Å; C5-K10 PolarHBondContact N-O 2.81Å; C5-V12 HydrophobicContact CB-CG2 3.58Å; C5-D24 WeakPolarHBondContact CA-O 3.32Å; C5-H26 VanDerWaalsContact CB-CE1 3.44Å; C5-H26 WeakPolarHBondContact CB-CE1 3.16Å; C5-H26 WeakPolarHBondContact CB-ND1 3.25Å
6P88.1Confident85.9Confident38 Ų3892.7 Ų92.725%0.24748%0.482CS..THydrogen-bonded Turntrans-68.5-12.5-179.826.6-35000114.5K23 D24 W25P6-K23 HydrophobicContact CG-CD 4.25Å; P6-D24 WeakPolarHBondContact CD-O 2.9Å; P6-W25 HydrophobicContact CB-CH2 4.3Å; P6-W25 HydrophobicContact CG-CD2 3.88Å; P6-W25 HydrophobicContact CG-CE3 3.82Å; P6-W25 HydrophobicContact CG-CH2 3.43Å; P6-W25 VanDerWaalsContact CG-CH2 3.43Å; P6-W25 HydrophobicContact CG-CZ2 3.45Å; P6-W25 VanDerWaalsContact CG-CZ2 3.45Å; P6-W25 HydrophobicContact CG-CZ3 3.59Å
7K88.2Confident86Confident56 Ų5692.1 Ų92.124%0.24348%0.475CS..THydrogen-bonded Turntrans-88.1-36.3178.7-168.6168.4-173.8161.80114.2C5 W25 C29 K31C5-K7 PolarHBondContact O-N 2.65Å; C5-K7 VanDerWaalsContact O-N 3.17Å; K7-W25 HydrophobicContact CB-CE3 4.29Å; K7-W25 HydrophobicContact CB-CZ3 3.99Å; K7-C29 HydrophobicContact CB-CB 4.17Å; K7-C29 HydrophobicContact CD-CB 4.1Å; K7-C29 WeakPolarHBondContact CD-O 3.3Å; K7-C29 PolarHBondContact NZ-O 3.47Å; K7-K31 PolarHBondContact NZ-O 2.78Å
8C89.2Confident86.2Confident41 Ų4188.4 Ų88.428%0.27746%0.457SS..THydrogen-bonded Turntrans-127.3-0.3-171.266.50000113.2C5 K10 H26C5-C8 PolarHBondContact O-N 2.9Å; C8-K10 WeakPolarHBondContact O-CG 3.36Å; C8-K10 PolarHBondContact O-N 3.49Å; C8-H26 PolarHBondContact SG-CE1 2.92Å; C8-H26 PolarHBondContact SG-ND1 3.46Å; C8-H26 VanDerWaalsContact SG-ND1 3.4Å
9D88.3Confident86.3Confident117 Ų11787.4 Ų87.463%0.62646%0.458SS*.  trans55.16.3-177.9-64.6-65.2000115.7C5C5-D9 WeakPolarHBondContact O-CA 3.48Å; C5-D9 PolarHBondContact O-N 3.1Å
10K90.4Very high86.1Confident146 Ų14683.3 Ų83.364%0.63544%0.437SS*.  trans-77.6148.2175.3-64.5172.2-171.3-176.70110.3C5 C8 V12C5-K10 PolarHBondContact N-O 2.81Å; C8-K10 WeakPolarHBondContact O-CG 3.36Å; C8-K10 PolarHBondContact O-N 3.49Å; K10-V12 PolarHBondContact O-N 3.2Å
11T91Very high86Confident63 Ų6384.7 Ų84.739%0.38744%0.444SS..EExtended strand (participates in β ladder)trans-62135.1173.652.90000110.5A2 H26A2-T11 HydrophobicContact CB-CG2 4.33Å; T11-H26 PolarHBondContact O-NE2 2.6Å
12V90.6Very high87Confident9 Ų977.1 Ų77.16%0.05543%0.429CS..EExtended strand (participates in β ladder)trans-99.1114.8176.7-169.90000107.9S3 C5 K10 K17 D24S3-V12 PolarHBondContact O-N 3.22Å; C5-V12 HydrophobicContact CB-CG2 3.58Å; K10-V12 PolarHBondContact O-N 3.2Å; V12-K17 HydrophobicContact CG1-CB 3.45Å; V12-K17 VanDerWaalsContact CG1-CB 3.45Å; V12-D24 HydrophobicContact CB-CB 4.43Å; V12-D24 HydrophobicContact CG2-CB 4.47Å
13Y87.5Confident87.6Confident157 Ų15778.1 Ų78.162%0.61642%0.42SS*.  trans-84.2157.1175.6-64.1-78.1000111A15 E16 K17Y13-A15 PolarHBondContact O-N 2.9Å; Y13-A15 VanDerWaalsContact O-N 3.09Å; Y13-E16 PolarHBondContact O-N 3.22Å; Y13-K17 PolarHBondContact O-N 2.82Å
14F84.4Confident87.9Confident171 Ų17177.1 Ų77.175%0.7541%0.411SS*.THydrogen-bonded Turntrans-55.6-31.7-173.9-170.8-91.2000114.1E16 K17F14-E16 PolarHBondContact O-N 2.86Å; F14-K17 HydrophobicContact CD2-CD 4.17Å; F14-K17 VanDerWaalsContact CD2-CE 3.42Å
15A86.1Confident87.9Confident82 Ų8270 Ų7068%0.67838%0.38SS*.THydrogen-bonded Turntrans-67.2-33.1178.900000113.6Y13 K27Y13-A15 PolarHBondContact O-N 2.9Å; Y13-A15 VanDerWaalsContact O-N 3.09Å; A15-K27 PolarHBondContact O-NZ 3.49Å
16E85.4Confident87.9Confident93 Ų9371.2 Ų71.244%0.43539%0.385SS..THydrogen-bonded Turntrans-109.8-4.3-173.4-65.1-168.8110.100113.9Y13 F14 V18 K27Y13-E16 PolarHBondContact O-N 3.22Å; F14-E16 PolarHBondContact O-N 2.86Å; E16-V18 PolarHBondContact O-N 3.42Å; E16-K27 WeakPolarHBondContact O-CG 3.5Å; E16-K27 PolarHBondContact O-N 3.17Å
17K87.6Confident87.9Confident83 Ų8374.5 Ų74.536%0.36140%0.396SS..EExtended strand (participates in β ladder)trans-66.5135.9-17779.3176.6-177.7170.10112.3V12 Y13 F14 W25V12-K17 HydrophobicContact CG1-CB 3.45Å; V12-K17 VanDerWaalsContact CG1-CB 3.45Å; Y13-K17 PolarHBondContact O-N 2.82Å; F14-K17 HydrophobicContact CD2-CD 4.17Å; F14-K17 VanDerWaalsContact CD2-CE 3.42Å; K17-W25 CarbonylContact C-O 3.59Å
18V89.3Confident87.9Confident26 Ų2677.9 Ų77.916%0.15842%0.416CS..EExtended strand (participates in β ladder)trans-126.7105.5169.3-1760000106.4E16 W25 K27 L30 A41E16-V18 PolarHBondContact O-N 3.42Å; V18-W25 PolarHBondContact N-O 3.46Å; V18-W25 PolarHBondContact O-N 3.03Å; V18-K27 HydrophobicContact CG2-CB 4.28Å; V18-K27 HydrophobicContact CG2-CG 3.69Å; V18-L30 HydrophobicContact CG1-CD2 3.84Å; V18-A41 HydrophobicContact CG1-CB 3.66Å
19S88.2Confident88Confident68 Ų6877 Ų7748%0.47641%0.41SS..EExtended strand (participates in β ladder)trans-82125179.2-51.30000109.4K23 D24S19-K23 CarbonylContact C-O 3.59Å; S19-K23 WeakPolarHBondContact CA-O 3.43Å; S19-D24 WeakPolarHBondContact CB-OD1 3.44Å; S19-D24 PolarHBondContact OG-OD1 3.49Å
20S82.9Confident88.1Confident6 Ų671.5 Ų71.54%0.04238%0.381CS..EExtended strand (participates in β ladder)trans-151.6136.8177.5-74.40000110.9G22 K23 A41 G42 H44S20-G22 PolarHBondContact O-N 2.85Å; S20-G22 VanDerWaalsContact O-N 3.1Å; S20-K23 PolarHBondContact N-O 3.19Å; S20-K23 PolarHBondContact O-N 2.88Å; S20-K23 VanDerWaalsContact O-O 3.06Å; S20-A41 VanDerWaalsContact OG-CA 3.3Å; S20-A41 WeakPolarHBondContact OG-CA 3.24Å; S20-G42 PolarHBondContact OG-N 3.4Å; S20-H44 WeakPolarHBondContact CB-CE1 3.43Å; S20-H44 PolarHBondContact OG-CE1 2.99Å; S20-H44 VanDerWaalsContact OG-CE1 3.31Å
21L82.7Confident88.1Confident112 Ų11268.7 Ų68.759%0.58637%0.368SS*.THydrogen-bonded Turntrans51.931.1-177.4-62.2166.7000113.2K23 E46L21-K23 VanDerWaalsContact C-N 3.31Å; L21-K23 PolarHBondContact O-N 3.48Å; L21-E46 HydrophobicContact CD1-CB 4.02Å
22G85.5Confident88.1Confident84 Ų8465.7 Ų65.787%0.86635%0.35SS*.THydrogen-bonded Turntrans77.87.7-178.100000115.3S20S20-G22 PolarHBondContact O-N 2.85Å; S20-G22 VanDerWaalsContact O-N 3.1Å
23K87.7Confident88Confident91 Ų9168.3 Ų68.340%0.39636%0.363SS..EExtended strand (participates in β ladder)trans-118.1150.7175.4-53.3-169.5-164.5-169.80111.1P6 S19 S20 L21 E46P6-K23 HydrophobicContact CG-CD 4.25Å; S19-K23 CarbonylContact C-O 3.59Å; S19-K23 WeakPolarHBondContact CA-O 3.43Å; S20-K23 PolarHBondContact N-O 3.19Å; S20-K23 PolarHBondContact O-N 2.88Å; S20-K23 VanDerWaalsContact O-O 3.06Å; L21-K23 VanDerWaalsContact C-N 3.31Å; L21-K23 PolarHBondContact O-N 3.48Å; K23-E46 VanDerWaalsContact CD-OE2 3.25Å; K23-E46 WeakPolarHBondContact CD-OE2 3.44Å; K23-E46 VanDerWaalsContact CE-OE1 3.32Å; K23-E46 WeakPolarHBondContact CE-OE1 3.44Å; K23-E46 VanDerWaalsContact CE-OE2 3.24Å; K23-E46 WeakPolarHBondContact CE-OE2 3.42Å; K23-E46 IonicContact NZ-OE1 2.65Å; K23-E46 PolarHBondContact NZ-OE1 2.78Å; K23-E46 IonicContact NZ-OE2 3.56Å
24D91.1Very high88.1Confident28 Ų2866.8 Ų66.815%0.1536%0.357CS..EExtended strand (participates in β ladder)trans-100.1129177.9-67-49.7000110.8S3 C5 P6 V12 S19S3-D24 WeakPolarHBondContact CB-OD2 3.24Å; S3-D24 PolarHBondContact OG-OD2 2.57Å; C5-D24 WeakPolarHBondContact CA-O 3.32Å; P6-D24 WeakPolarHBondContact CD-O 2.9Å; V12-D24 HydrophobicContact CB-CB 4.43Å; V12-D24 HydrophobicContact CG2-CB 4.47Å; S19-D24 WeakPolarHBondContact CB-OD1 3.44Å; S19-D24 PolarHBondContact OG-OD1 3.49Å
25W91.4Very high88.3Confident0 Ų061.7 Ų61.70%034%0.341CS..EExtended strand (participates in β ladder)trans-122.4154.6-178.2-55.978.9000110P6 K7 K17 V18 L30 E46 G49 P51P6-W25 HydrophobicContact CB-CH2 4.3Å; P6-W25 HydrophobicContact CG-CD2 3.88Å; P6-W25 HydrophobicContact CG-CE3 3.82Å; P6-W25 HydrophobicContact CG-CH2 3.43Å; P6-W25 VanDerWaalsContact CG-CH2 3.43Å; P6-W25 HydrophobicContact CG-CZ2 3.45Å; P6-W25 VanDerWaalsContact CG-CZ2 3.45Å; P6-W25 HydrophobicContact CG-CZ3 3.59Å; K7-W25 HydrophobicContact CB-CE3 4.29Å; K7-W25 HydrophobicContact CB-CZ3 3.99Å; K17-W25 CarbonylContact C-O 3.59Å; V18-W25 PolarHBondContact N-O 3.46Å; V18-W25 PolarHBondContact O-N 3.03Å; W25-L30 HydrophobicContact CB-CB 4.29Å; W25-L30 HydrophobicContact CB-CD1 4.07Å; W25-L30 HydrophobicContact CD2-CD1 3.81Å; W25-L30 HydrophobicContact CE3-CD1 4.24Å; W25-L30 HydrophobicContact CG-CD1 3.73Å; W25-E46 HydrophobicContact CH2-CG 4.14Å; W25-E46 HydrophobicContact CZ2-CG 3.97Å; W25-G49 VanDerWaalsContact CH2-O 3.24Å; W25-G49 WeakPolarHBondContact CH2-O 3.42Å; W25-G49 WeakPolarHBondContact CZ3-O 3.44Å; W25-P51 HydrophobicContact CE3-CG 4.3Å; W25-P51 HydrophobicContact CH2-CB 4.24Å; W25-P51 HydrophobicContact CH2-CG 4.2Å; W25-P51 HydrophobicContact CZ3-CB 4.29Å; W25-P51 HydrophobicContact CZ3-CG 3.79Å
26H91Very high88.4Confident24 Ų2463 Ų6311%0.11134%0.337CS..EExtended strand (participates in β ladder)trans-75.6149.9162.1-50.696.4000110.2C5 C8 T11 L28 C29 L30C5-H26 VanDerWaalsContact CB-CE1 3.44Å; C5-H26 WeakPolarHBondContact CB-CE1 3.16Å; C5-H26 WeakPolarHBondContact CB-ND1 3.25Å; C8-H26 PolarHBondContact SG-CE1 2.92Å; C8-H26 PolarHBondContact SG-ND1 3.46Å; C8-H26 VanDerWaalsContact SG-ND1 3.4Å; T11-H26 PolarHBondContact O-NE2 2.6Å; H26-L28 PolarHBondContact O-N 3.09Å; H26-L28 VanDerWaalsContact O-N 3.15Å; H26-C29 HydrophobicContact CB-CB 3.91Å; H26-C29 PolarHBondContact ND1-SG 3Å; H26-C29 VanDerWaalsContact ND1-SG 3.37Å; H26-C29 PolarHBondContact O-N 3.04Å; H26-L30 PolarHBondContact O-N 2.97Å
27K87.7Confident88.5Confident108 Ų10865.3 Ų65.347%0.4735%0.346SS..THydrogen-bonded Turntrans-51.4-38.9175-47.6-175.3-151.1-71.10112.4A15 E16 V18 L38A15-K27 PolarHBondContact O-NZ 3.49Å; E16-K27 WeakPolarHBondContact O-CG 3.5Å; E16-K27 PolarHBondContact O-N 3.17Å; V18-K27 HydrophobicContact CG2-CB 4.28Å; V18-K27 HydrophobicContact CG2-CG 3.69Å; K27-L38 WeakPolarHBondContact O-CD2 3.47Å
28L88.5Confident88.6Confident127 Ų12766.4 Ų66.467%0.66536%0.355SS*.THydrogen-bonded Turntrans-82.6-25.4179.4-61.1174.4000113.7H26H26-L28 PolarHBondContact O-N 3.09Å; H26-L28 VanDerWaalsContact O-N 3.15Å
29C90.2Very high88.6Confident22 Ų2266.2 Ų66.215%0.14935%0.353CS..THydrogen-bonded Turntrans-76.6-29.1177.8-71.10000111.2K7 H26 K31K7-C29 HydrophobicContact CB-CB 4.17Å; K7-C29 HydrophobicContact CD-CB 4.1Å; K7-C29 WeakPolarHBondContact CD-O 3.3Å; K7-C29 PolarHBondContact NZ-O 3.47Å; H26-C29 HydrophobicContact CB-CB 3.91Å; H26-C29 PolarHBondContact ND1-SG 3Å; H26-C29 VanDerWaalsContact ND1-SG 3.37Å; H26-C29 PolarHBondContact O-N 3.04Å; C29-K31 PolarHBondContact O-N 2.88Å
30L89.9Confident88.4Confident2 Ų269.3 Ų69.31%0.0136%0.364CS..  trans-74.559.5176.7-159.171.5000112.4V18 W25 H26 L39 H44 P51V18-L30 HydrophobicContact CG1-CD2 3.84Å; W25-L30 HydrophobicContact CB-CB 4.29Å; W25-L30 HydrophobicContact CB-CD1 4.07Å; W25-L30 HydrophobicContact CD2-CD1 3.81Å; W25-L30 HydrophobicContact CE3-CD1 4.24Å; W25-L30 HydrophobicContact CG-CD1 3.73Å; H26-L30 PolarHBondContact O-N 2.97Å; L30-L39 HydrophobicContact CD2-CB 4.47Å; L30-L39 VanDerWaalsContact CD2-O 3.32Å; L30-L39 WeakPolarHBondContact CD2-O 3.48Å; L30-L39 HydrophobicContact CG-CB 4.12Å; L30-L39 PolarHBondContact O-N 3.33Å; L30-H44 VanDerWaalsContact CD1-CE1 3.42Å; L30-H44 WeakPolarHBondContact CD1-CE1 3.27Å; L30-H44 WeakPolarHBondContact CD1-NE2 3.3Å; L30-P51 HydrophobicContact CD1-CB 4.03Å; L30-P51 HydrophobicContact CD1-CG 4.37Å
31K91Very high88.3Confident87 Ų8772 Ų7238%0.37839%0.387SS..BIsolated β-bridgetrans-124.2137.1176.369.2-177.1-176.1-172.20110.4K7 C29 D33 K37 L38 P51K7-K31 PolarHBondContact NZ-O 2.78Å; C29-K31 PolarHBondContact O-N 2.88Å; K31-D33 PolarHBondContact O-N 3.31Å; K31-K37 CarbonylContact C-O 3.55Å; K31-K37 WeakPolarHBondContact CA-O 3.32Å; K31-L38 HydrophobicContact CB-CD2 4.26Å; K31-P51 WeakPolarHBondContact O-CG 3.47Å
32C91.4Very high88.2Confident0 Ų070 Ų700%039%0.393CS..  trans-58.4128.4179.2-176.10000110.8R34 C35 N36 K37 L39 P51 C53C32-R34 VanDerWaalsContact C-N 3.27Å; C32-R34 PolarHBondContact O-N 3.1Å; C32-C35 WeakPolarHBondContact CB-SG 3.12Å; C32-C35 PolarHBondContact SG-SG 3.37Å; C32-N36 WeakPolarHBondContact O-CA 3.28Å; C32-N36 PolarHBondContact O-N 2.79Å; C32-K37 PolarHBondContact N-O 3.21Å; C32-L39 HydrophobicContact CB-CD1 4.08Å; C32-L39 HydrophobicContact CB-CG 4.37Å; C32-P51 VanDerWaalsContact CA-O 3.3Å; C32-P51 WeakPolarHBondContact CA-O 2.97Å; C32-C53 PolarHBondContact SG-N 3.31Å; C32-C53 VanDerWaalsContact SG-SG 3.7Å
33D89.3Confident88Confident63 Ų6368.5 Ų68.534%0.33738%0.378SS..THydrogen-bonded Turntrans-67-29.8-179.5-15553.5000112.6K31 R50 P51 Y52K31-D33 PolarHBondContact O-N 3.31Å; D33-R50 IonicContact OD2-NH1 3Å; D33-R50 PolarHBondContact OD2-NH1 3.26Å; D33-P51 PolarHBondContact N-O 3.23Å; D33-Y52 HydrophobicContact CB-CD1 4.47Å; D33-Y52 HydrophobicContact CB-CE1 3.78Å
34R87.8Confident88Confident126 Ų12664.7 Ų64.748%0.47536%0.361SS..THydrogen-bonded Turntrans-84.3-45.1-176.7-178.8174174.4-176.7-0.2113.7C32 Y52 C57C32-R34 VanDerWaalsContact C-N 3.27Å; C32-R34 PolarHBondContact O-N 3.1Å; R34-Y52 HydrophobicContact CB-CD1 4.49Å; R34-C57 HydrophobicContact CB-CB 4.23Å
35C89.1Confident87.9Confident63 Ų6363.9 Ų63.943%0.42636%0.359SS..THydrogen-bonded Turntrans-111.62.7-174.9680000113.6C32 K37 C53C32-C35 WeakPolarHBondContact CB-SG 3.12Å; C32-C35 PolarHBondContact SG-SG 3.37Å; C35-K37 PolarHBondContact O-N 3.03Å; C35-C53 PolarHBondContact SG-SG 2.98Å
36N88.5Confident87.8Confident110 Ų11065.7 Ų65.759%0.58837%0.367SS*.  trans54.88.9-178.9-66.8-52.5000115.8C32 L38C32-N36 WeakPolarHBondContact O-CA 3.28Å; C32-N36 PolarHBondContact O-N 2.79Å; N36-L38 PolarHBondContact O-N 3.15Å
37K88.1Confident87.6Confident141 Ų14167 Ų6761%0.61337%0.373SS*.PPolyproline II helixtrans-67.9130.7176.4174.4169.8-85.2-153.10110K31 C32 C35 L39K31-K37 CarbonylContact C-O 3.55Å; K31-K37 WeakPolarHBondContact CA-O 3.32Å; C32-K37 PolarHBondContact N-O 3.21Å; C35-K37 PolarHBondContact O-N 3.03Å; K37-L39 PolarHBondContact O-N 3.34Å
38L89.8Confident87.4Confident107 Ų10768.5 Ų68.556%0.5639%0.386SS*.BIsolated β-bridgetrans-62.1127.6168-76.1161.1000109.5K27 K31 N36K27-L38 WeakPolarHBondContact O-CD2 3.47Å; K31-L38 HydrophobicContact CB-CD2 4.26Å; N36-L38 PolarHBondContact O-N 3.15Å
39L88Confident87.2Confident21 Ų2163.1 Ų63.111%0.1136%0.361CS..PPolyproline II helixtrans-100.3145.6-176.6-65164.7000109.2L30 C32 K37 H44 P51 C53L30-L39 HydrophobicContact CD2-CB 4.47Å; L30-L39 VanDerWaalsContact CD2-O 3.32Å; L30-L39 WeakPolarHBondContact CD2-O 3.48Å; L30-L39 HydrophobicContact CG-CB 4.12Å; L30-L39 PolarHBondContact O-N 3.33Å; C32-L39 HydrophobicContact CB-CD1 4.08Å; C32-L39 HydrophobicContact CB-CG 4.37Å; K37-L39 PolarHBondContact O-N 3.34Å; L39-H44 HydrophobicContact CB-CB 4.13Å; L39-H44 HydrophobicContact CD1-CB 3.76Å; L39-H44 HydrophobicContact CD2-CB 4.19Å; L39-H44 HydrophobicContact CG-CB 4.24Å; L39-P51 HydrophobicContact CD1-CB 3.88Å; L39-C53 HydrophobicContact CD2-CB 4.37Å; L39-C53 VanDerWaalsContact CD2-SG 3.59Å
40N84.8Confident87.1Confident134 Ų13468.1 Ų68.172%0.71738%0.377SS*.PPolyproline II helixtrans-85.5155.3174.6-69.3-14.2000110.7G42 G43 H44N40-G42 PolarHBondContact O-N 3.38Å; N40-G43 PolarHBondContact O-N 2.84Å; N40-H44 PolarHBondContact O-ND1 2.94Å; N40-H44 VanDerWaalsContact O-ND1 3.1Å
41A80.6Confident87.2Confident63 Ų6368 Ų6852%0.52138%0.376SS..THydrogen-bonded Turntrans-58.1130.617400000110.4V18 S20 G43V18-A41 HydrophobicContact CG1-CB 3.66Å; S20-A41 VanDerWaalsContact OG-CA 3.3Å; S20-A41 WeakPolarHBondContact OG-CA 3.24Å; A41-G43 VanDerWaalsContact C-N 3.31Å; A41-G43 PolarHBondContact O-N 3.13Å
42G80.4Confident87.2Confident70 Ų7064.9 Ų64.972%0.72236%0.362SS*.THydrogen-bonded Turntrans81-9.2177.700000116.9S20 N40S20-G42 PolarHBondContact OG-N 3.4Å; N40-G42 PolarHBondContact O-N 3.38Å
43G81.6Confident87.2Confident52 Ų5265.5 Ų65.554%0.53637%0.367SS..SBendtrans-109.428.7-17600000115.6N40 A41N40-G43 PolarHBondContact O-N 2.84Å; A41-G43 VanDerWaalsContact C-N 3.31Å; A41-G43 PolarHBondContact O-N 3.13Å
44H87.3Confident87.1Confident11 Ų1168.2 Ų68.25%0.05138%0.377CS..EExtended strand (participates in β ladder)trans-139.8163-175.461.1-90.6000112.3S20 L30 L39 N40 Y52S20-H44 WeakPolarHBondContact CB-CE1 3.43Å; S20-H44 PolarHBondContact OG-CE1 2.99Å; S20-H44 VanDerWaalsContact OG-CE1 3.31Å; L30-H44 VanDerWaalsContact CD1-CE1 3.42Å; L30-H44 WeakPolarHBondContact CD1-CE1 3.27Å; L30-H44 WeakPolarHBondContact CD1-NE2 3.3Å; L39-H44 HydrophobicContact CB-CB 4.13Å; L39-H44 HydrophobicContact CD1-CB 3.76Å; L39-H44 HydrophobicContact CD2-CB 4.19Å; L39-H44 HydrophobicContact CG-CB 4.24Å; N40-H44 PolarHBondContact O-ND1 2.94Å; N40-H44 VanDerWaalsContact O-ND1 3.1Å; H44-Y52 WeakPolarHBondContact CB-O 3.42Å
45A89.6Confident86.9Confident11 Ų1170.2 Ų70.29%0.09139%0.389CS..EExtended strand (participates in β ladder)trans-106.1142.9173.700000109.4Y52 Y58A45-Y52 PolarHBondContact N-O 3.37Å; A45-Y52 PolarHBondContact O-N 2.81Å; A45-Y58 HydrophobicContact CB-CD1 4Å; A45-Y58 HydrophobicContact CB-CD2 3.36Å; A45-Y58 HydrophobicContact CB-CE1 4.34Å; A45-Y58 HydrophobicContact CB-CE2 3.74Å; A45-Y58 HydrophobicContact CB-CG 3.49Å; A45-Y58 VanDerWaalsContact CB-CG 3.49Å
46E88.4Confident86.7Confident38 Ų3871.9 Ų71.918%0.17840%0.399CS..EExtended strand (participates in β ladder)trans-104.6134.9173.7-169.2-169143.200109.4L21 K23 W25 G49L21-E46 HydrophobicContact CD1-CB 4.02Å; K23-E46 VanDerWaalsContact CD-OE2 3.25Å; K23-E46 WeakPolarHBondContact CD-OE2 3.44Å; K23-E46 VanDerWaalsContact CE-OE1 3.32Å; K23-E46 WeakPolarHBondContact CE-OE1 3.44Å; K23-E46 VanDerWaalsContact CE-OE2 3.24Å; K23-E46 WeakPolarHBondContact CE-OE2 3.42Å; K23-E46 IonicContact NZ-OE1 2.65Å; K23-E46 PolarHBondContact NZ-OE1 2.78Å; K23-E46 IonicContact NZ-OE2 3.56Å; W25-E46 HydrophobicContact CH2-CG 4.14Å; W25-E46 HydrophobicContact CZ2-CG 3.97Å; E46-G49 WeakPolarHBondContact OE1-CA 3.33Å; E46-G49 PolarHBondContact OE1-N 2.99Å
47H87Confident86.8Confident52 Ų5266.8 Ų66.824%0.24137%0.372CS..EExtended strand (participates in β ladder)trans-134.9124.4168.1-162-75.6000108.3G49 R50 Y52 Y58 F62H47-G49 VanDerWaalsContact C-N 3.32Å; H47-G49 PolarHBondContact O-N 2.87Å; H47-R50 PolarHBondContact N-O 2.84Å; H47-R50 WeakPolarHBondContact O-CB 3.48Å; H47-R50 PolarHBondContact O-N 3.21Å; H47-Y52 HydrophobicContact CB-CD2 3.93Å; H47-Y52 HydrophobicContact CB-CE2 3.85Å; H47-Y58 HydrophobicContact CB-CD2 4.49Å; H47-Y58 HydrophobicContact CB-CE2 4.08Å; H47-F62 HydrophobicContact CB-CD2 4.02Å; H47-F62 HydrophobicContact CB-CE1 4.37Å; H47-F62 HydrophobicContact CB-CE2 3.61Å; H47-F62 HydrophobicContact CB-CZ 3.79Å; H47-F62 AromaticContact CD2-CD1 3.28Å; H47-F62 WeakPolarHBondContact CD2-CD1 3.49Å; H47-F62 AromaticContact CD2-CD2 3.65Å; H47-F62 AromaticContact CD2-CE1 3.56Å; H47-F62 AromaticContact CD2-CE2 3.91Å; H47-F62 AromaticContact CD2-CG 3.32Å; H47-F62 WeakPolarHBondContact CD2-CG 3.22Å; H47-F62 AromaticContact CD2-CZ 3.86Å; H47-F62 AromaticContact CE1-CD1 3.5Å; H47-F62 AromaticContact CE1-CE1 3.27Å; H47-F62 WeakPolarHBondContact CE1-CE1 3.46Å; H47-F62 AromaticContact CE1-CZ 3.94Å; H47-F62 AromaticContact CG-CD1 3.74Å; H47-F62 AromaticContact CG-CD2 3.84Å; H47-F62 AromaticContact CG-CE1 3.5Å; H47-F62 VanDerWaalsContact CG-CE1 3.5Å; H47-F62 AromaticContact CG-CE2 3.6Å; H47-F62 AromaticContact CG-CG 3.9Å; H47-F62 AromaticContact CG-CZ 3.42Å; H47-F62 VanDerWaalsContact CG-CZ 3.42Å; H47-F62 AromaticContact ND1-CD1 3.85Å; H47-F62 AromaticContact ND1-CE1 3.3Å; H47-F62 VanDerWaalsContact ND1-CE1 3.3Å; H47-F62 WeakPolarHBondContact ND1-CE1 3.09Å; H47-F62 AromaticContact ND1-CZ 3.47Å; H47-F62 WeakPolarHBondContact ND1-CZ 3.47Å; H47-F62 AromaticContact NE2-CD1 3.12Å; H47-F62 WeakPolarHBondContact NE2-CD1 3.3Å; H47-F62 AromaticContact NE2-CE1 3.43Å; H47-F62 WeakPolarHBondContact NE2-CE1 3.36Å; H47-F62 AromaticContact NE2-CG 3.65Å
48D84.4Confident86.8Confident139 Ų13963.8 Ų63.874%0.74336%0.357SS*.THydrogen-bonded Turntrans48.243.5179.9-55.9-43.5000115.2R50D48-R50 PolarHBondContact O-N 3.33Å
49G84.9Confident86.7Confident13 Ų1361 Ų6113%0.13435%0.35CS..THydrogen-bonded Turntrans72.78.2-179.200000114.6W25 E46 H47W25-G49 VanDerWaalsContact CH2-O 3.24Å; W25-G49 WeakPolarHBondContact CH2-O 3.42Å; W25-G49 WeakPolarHBondContact CZ3-O 3.44Å; E46-G49 WeakPolarHBondContact OE1-CA 3.33Å; E46-G49 PolarHBondContact OE1-N 2.99Å; H47-G49 VanDerWaalsContact C-N 3.32Å; H47-G49 PolarHBondContact O-N 2.87Å
50R88.3Confident86.6Confident128 Ų12862.7 Ų62.748%0.48337%0.367SS..EExtended strand (participates in β ladder)trans-110.9131.2174.7-60.4-179-176.3-149.83.9110.5D33 H47 D48 Y52D33-R50 IonicContact OD2-NH1 3Å; D33-R50 PolarHBondContact OD2-NH1 3.26Å; H47-R50 PolarHBondContact N-O 2.84Å; H47-R50 WeakPolarHBondContact O-CB 3.48Å; H47-R50 PolarHBondContact O-N 3.21Å; D48-R50 PolarHBondContact O-N 3.33Å; R50-Y52 HydrophobicContact CB-CD2 4.48Å; R50-Y52 HydrophobicContact CB-CE2 3.7Å; R50-Y52 WeakPolarHBondContact O-CD2 3.17Å
51P91Very high86.6Confident0 Ų059.4 Ų59.40%035%0.349CS..EExtended strand (participates in β ladder)trans-85.1138.1178.932.6-28.2000109.9W25 L30 K31 C32 D33 L39W25-P51 HydrophobicContact CE3-CG 4.3Å; W25-P51 HydrophobicContact CH2-CB 4.24Å; W25-P51 HydrophobicContact CH2-CG 4.2Å; W25-P51 HydrophobicContact CZ3-CB 4.29Å; W25-P51 HydrophobicContact CZ3-CG 3.79Å; L30-P51 HydrophobicContact CD1-CB 4.03Å; L30-P51 HydrophobicContact CD1-CG 4.37Å; K31-P51 WeakPolarHBondContact O-CG 3.47Å; C32-P51 VanDerWaalsContact CA-O 3.3Å; C32-P51 WeakPolarHBondContact CA-O 2.97Å; D33-P51 PolarHBondContact N-O 3.23Å; L39-P51 HydrophobicContact CD1-CB 3.88Å
52Y91.4Very high86.8Confident20 Ų2059.6 Ų59.68%0.07834%0.338CS..EExtended strand (participates in β ladder)trans-130.1152178.8-67.9-84.8000111.2D33 R34 H44 A45 H47 R50 H54 L61 F62D33-Y52 HydrophobicContact CB-CD1 4.47Å; D33-Y52 HydrophobicContact CB-CE1 3.78Å; R34-Y52 HydrophobicContact CB-CD1 4.49Å; H44-Y52 WeakPolarHBondContact CB-O 3.42Å; A45-Y52 PolarHBondContact N-O 3.37Å; A45-Y52 PolarHBondContact O-N 2.81Å; H47-Y52 HydrophobicContact CB-CD2 3.93Å; H47-Y52 HydrophobicContact CB-CE2 3.85Å; R50-Y52 HydrophobicContact CB-CD2 4.48Å; R50-Y52 HydrophobicContact CB-CE2 3.7Å; R50-Y52 WeakPolarHBondContact O-CD2 3.17Å; Y52-H54 PolarHBondContact O-N 2.92Å; Y52-L61 HydrophobicContact CD1-CD1 4.14Å; Y52-L61 HydrophobicContact CE1-CD1 3.8Å; Y52-F62 AromaticContact CD2-CE2 3.91Å; Y52-F62 HydrophobicContact CD2-CE2 3.91Å; Y52-F62 HydrophobicContact CE1-CE2 4.41Å; Y52-F62 AromaticContact CE2-CE2 3.74Å; Y52-F62 HydrophobicContact CE2-CE2 3.74Å; Y52-F62 HydrophobicContact CE2-CZ 4.05Å; Y52-F62 HydrophobicContact CG-CE2 4.33Å
53C91.2Very high86.9Confident14 Ų1457.2 Ų57.210%0.09531%0.314CS..EExtended strand (participates in β ladder)trans-63.8134.7168.5-590000110.3C32 C35 L39 K55 C57 Y58C32-C53 PolarHBondContact SG-N 3.31Å; C32-C53 VanDerWaalsContact SG-SG 3.7Å; C35-C53 PolarHBondContact SG-SG 2.98Å; L39-C53 HydrophobicContact CD2-CB 4.37Å; L39-C53 VanDerWaalsContact CD2-SG 3.59Å; C53-K55 VanDerWaalsContact C-N 3.32Å; C53-K55 PolarHBondContact O-N 3.47Å; C53-C57 HydrophobicContact CB-CB 4.03Å; C53-Y58 WeakPolarHBondContact O-CB 3.32Å; C53-Y58 PolarHBondContact O-N 3.48Å
54H86.9Confident86.8Confident119 Ų11961.2 Ų61.255%0.55133%0.33SS*.Iπ-helixtrans-54.6-45.7177.9-163.3-69.1000112.4Y52Y52-H54 PolarHBondContact O-N 2.92Å
55K83.9Confident85.7Confident168 Ų16868.5 Ų68.573%0.7336%0.362SS*.Iπ-helixtrans-138.4138.8168.9-66.7-178.9179.6175.20108.9C53C53-K55 VanDerWaalsContact C-N 3.32Å; C53-K55 PolarHBondContact O-N 3.47Å
56P85.9Confident84.2Confident98 Ų9870.9 Ų70.964%0.63639%0.387SS*.Iπ-helixcis-90.6-6.40.235.1-35.1000115A60P56-A60 VanDerWaalsContact O-CB 3.25Å; P56-A60 WeakPolarHBondContact O-CB 3.17Å; P56-A60 PolarHBondContact O-N 3.32Å
57C88.8Confident82.7Confident4 Ų474.8 Ų74.83%0.02741%0.413CS..Iπ-helixtrans-69-53.5-165.7-64.90000113.9R34 C53 L61R34-C57 HydrophobicContact CB-CB 4.23Å; C53-C57 HydrophobicContact CB-CB 4.03Å; C57-L61 PolarHBondContact O-N 3.43Å
58Y89.6Confident81Confident77 Ų7777.5 Ų77.530%0.30243%0.43SS..Iπ-helixtrans-65-49.1-177.3-177.9-93.7000111.5A45 H47 C53 A60 L61 F62A45-Y58 HydrophobicContact CB-CD1 4Å; A45-Y58 HydrophobicContact CB-CD2 3.36Å; A45-Y58 HydrophobicContact CB-CE1 4.34Å; A45-Y58 HydrophobicContact CB-CE2 3.74Å; A45-Y58 HydrophobicContact CB-CG 3.49Å; A45-Y58 VanDerWaalsContact CB-CG 3.49Å; H47-Y58 HydrophobicContact CB-CD2 4.49Å; H47-Y58 HydrophobicContact CB-CE2 4.08Å; C53-Y58 WeakPolarHBondContact O-CB 3.32Å; C53-Y58 PolarHBondContact O-N 3.48Å; Y58-A60 VanDerWaalsContact C-N 3.28Å; Y58-A60 PolarHBondContact O-N 3.38Å; Y58-L61 PolarHBondContact O-N 2.87Å; Y58-F62 AromaticContact CD2-CD2 3.63Å; Y58-F62 HydrophobicContact CD2-CD2 3.63Å; Y58-F62 HydrophobicContact CD2-CE2 4.32Å; Y58-F62 HydrophobicContact CE2-CB 4.34Å; Y58-F62 AromaticContact CE2-CD2 3.9Å; Y58-F62 HydrophobicContact CE2-CD2 3.9Å; Y58-F62 HydrophobicContact CE2-CG 4.43Å; Y58-F62 HydrophobicContact CG-CD2 4.23Å; Y58-F62 PolarHBondContact O-N 2.87Å
59A87.1Confident79.6Confident48 Ų4878 Ų7840%0.39743%0.431SS..Hα-helixtrans-58.9-35.3179.400000113.7G63A59-G63 WeakPolarHBondContact O-CA 3.25Å; A59-G63 PolarHBondContact O-N 2.97Å
60A85.6Confident78Confident58 Ų5880.5 Ų80.548%0.47946%0.457SS..Hα-helixtrans-78.1-27.4-179.900000113.8P56 Y58P56-A60 VanDerWaalsContact O-CB 3.25Å; P56-A60 WeakPolarHBondContact O-CB 3.17Å; P56-A60 PolarHBondContact O-N 3.32Å; Y58-A60 VanDerWaalsContact C-N 3.28Å; Y58-A60 PolarHBondContact O-N 3.38Å
61L84.8Confident76.3Confident64 Ų6478.2 Ų78.234%0.33547%0.473SS..Hα-helixtrans-88.7-46.3179.5-71167.1000111.5Y52 C57 Y58 K65Y52-L61 HydrophobicContact CD1-CD1 4.14Å; Y52-L61 HydrophobicContact CE1-CD1 3.8Å; C57-L61 PolarHBondContact O-N 3.43Å; Y58-L61 PolarHBondContact O-N 2.87Å; L61-K65 PolarHBondContact O-NZ 3.43Å
62F86.1Confident74.3Confident68 Ų6882.8 Ų82.830%0.29851%0.511SS..Hα-helixtrans-120.20.6-167.3-47.5-68.4000113.6H47 Y52 Y58H47-F62 HydrophobicContact CB-CD2 4.02Å; H47-F62 HydrophobicContact CB-CE1 4.37Å; H47-F62 HydrophobicContact CB-CE2 3.61Å; H47-F62 HydrophobicContact CB-CZ 3.79Å; H47-F62 AromaticContact CD2-CD1 3.28Å; H47-F62 WeakPolarHBondContact CD2-CD1 3.49Å; H47-F62 AromaticContact CD2-CD2 3.65Å; H47-F62 AromaticContact CD2-CE1 3.56Å; H47-F62 AromaticContact CD2-CE2 3.91Å; H47-F62 AromaticContact CD2-CG 3.32Å; H47-F62 WeakPolarHBondContact CD2-CG 3.22Å; H47-F62 AromaticContact CD2-CZ 3.86Å; H47-F62 AromaticContact CE1-CD1 3.5Å; H47-F62 AromaticContact CE1-CE1 3.27Å; H47-F62 WeakPolarHBondContact CE1-CE1 3.46Å; H47-F62 AromaticContact CE1-CZ 3.94Å; H47-F62 AromaticContact CG-CD1 3.74Å; H47-F62 AromaticContact CG-CD2 3.84Å; H47-F62 AromaticContact CG-CE1 3.5Å; H47-F62 VanDerWaalsContact CG-CE1 3.5Å; H47-F62 AromaticContact CG-CE2 3.6Å; H47-F62 AromaticContact CG-CG 3.9Å; H47-F62 AromaticContact CG-CZ 3.42Å; H47-F62 VanDerWaalsContact CG-CZ 3.42Å; H47-F62 AromaticContact ND1-CD1 3.85Å; H47-F62 AromaticContact ND1-CE1 3.3Å; H47-F62 VanDerWaalsContact ND1-CE1 3.3Å; H47-F62 WeakPolarHBondContact ND1-CE1 3.09Å; H47-F62 AromaticContact ND1-CZ 3.47Å; H47-F62 WeakPolarHBondContact ND1-CZ 3.47Å; H47-F62 AromaticContact NE2-CD1 3.12Å; H47-F62 WeakPolarHBondContact NE2-CD1 3.3Å; H47-F62 AromaticContact NE2-CE1 3.43Å; H47-F62 WeakPolarHBondContact NE2-CE1 3.36Å; H47-F62 AromaticContact NE2-CG 3.65Å; Y52-F62 AromaticContact CD2-CE2 3.91Å; Y52-F62 HydrophobicContact CD2-CE2 3.91Å; Y52-F62 HydrophobicContact CE1-CE2 4.41Å; Y52-F62 AromaticContact CE2-CE2 3.74Å; Y52-F62 HydrophobicContact CE2-CE2 3.74Å; Y52-F62 HydrophobicContact CE2-CZ 4.05Å; Y52-F62 HydrophobicContact CG-CE2 4.33Å; Y58-F62 AromaticContact CD2-CD2 3.63Å; Y58-F62 HydrophobicContact CD2-CD2 3.63Å; Y58-F62 HydrophobicContact CD2-CE2 4.32Å; Y58-F62 HydrophobicContact CE2-CB 4.34Å; Y58-F62 AromaticContact CE2-CD2 3.9Å; Y58-F62 HydrophobicContact CE2-CD2 3.9Å; Y58-F62 HydrophobicContact CE2-CG 4.43Å; Y58-F62 HydrophobicContact CG-CD2 4.23Å; Y58-F62 PolarHBondContact O-N 2.87Å
63G80.8Confident72.3Confident20 Ų2085.8 Ų85.821%0.20655%0.548CS..SBendtrans-63.9159.5168.200000110.7A59 K65A59-G63 WeakPolarHBondContact O-CA 3.25Å; A59-G63 PolarHBondContact O-N 2.97Å; G63-K65 PolarHBondContact O-N 2.93Å
64P80.1Confident70.2Confident136 Ų13688.9 Ų88.988%0.88357%0.569SS**  trans-54.6104.8176.423.1-32.7000108.7G66P64-G66 PolarHBondContact O-N 2.84Å
65K63.9Low68.5Low164 Ų16493.6 Ų93.671%0.71358%0.584SS**  trans-69101.4170.6-75-167.3170.681.50104.9L61 G63 V67L61-K65 PolarHBondContact O-NZ 3.43Å; G63-K65 PolarHBondContact O-N 2.93Å; K65-V67 PolarHBondContact O-N 3.46Å
66G58.7Low67Low60 Ų6090.5 Ų90.562%0.61958%0.579SS**  trans-49.9112.2179.300000109.4P64 N68P64-G66 PolarHBondContact O-N 2.84Å; G66-N68 PolarHBondContact O-N 3.4Å; G66-N68 VanDerWaalsContact O-N 3.13Å; G66-N68 PolarHBondContact O-ND2 2.85Å
67V57.1Low65Low120 Ų12095.2 Ų95.273%0.72759%0.585SS**  trans-67.6109164.771.60000104.8K65 I69K65-V67 PolarHBondContact O-N 3.46Å; V67-I69 HydrophobicContact CG1-CG1 4Å; V67-I69 HydrophobicContact CG2-CD1 4.13Å; V67-I69 HydrophobicContact CG2-CG1 4.09Å; V67-I69 PolarHBondContact O-N 3.47Å
68N51.6Low63.3Low110 Ų110101.5 Ų101.559%0.58862%0.619SS**  trans-71.678.2175.3-79-88.3000107.8G66G66-N68 PolarHBondContact O-N 3.4Å; G66-N68 VanDerWaalsContact O-N 3.13Å; G66-N68 PolarHBondContact O-ND2 2.85Å
69I53.6Low61.9Low148 Ų148102.1 Ų102.176%0.75963%0.634SS**  trans-89.5102.1160.5-54.8-63.7000105.8V67V67-I69 HydrophobicContact CG1-CG1 4Å; V67-I69 HydrophobicContact CG2-CD1 4.13Å; V67-I69 HydrophobicContact CG2-CG1 4.09Å; V67-I69 PolarHBondContact O-N 3.47Å
70G51.6Low60.3Low66 Ų66105.8 Ų105.868%0.6865%0.654SS**SBendtrans99.5101.9172.200000113.8
71G52Low58.8Low80 Ų80107.9 Ų107.983%0.82567%0.671SS**  trans-58.5133.6-169.200000116.6
72A49.1Very low57.3Low97 Ų97112.6 Ų112.680%0.80270%0.697SS**SBendtrans-175100.7138.100000108.9
73G50.1Low55.6Low83 Ų83115.2 Ų115.286%0.85671%0.714SS**  trans60.784.215500000118.8
74S47.7Very low54.2Low78 Ų78120.5 Ų120.555%0.54574%0.738SS.*  trans-97.4110.5160.760.10000110.5V76S74-V76 PolarHBondContact O-N 3.18Å
75Y51.3Low52.4Low218 Ų218120.4 Ų120.486%0.85574%0.735SS**  trans-68.4109.1171.5-153-91.3000108.9Y77Y75-Y77 HydrophobicContact CD1-CD2 4.47Å
76V51.8Low50.9Low103 Ų103116.1 Ų116.162%0.62474%0.738SS**  trans-72122.9169.8179.40000107.3S74 D78S74-V76 PolarHBondContact O-N 3.18Å; V76-D78 PolarHBondContact O-N 3.28Å
77Y44.4Very low49.7Very low197 Ų197116.6 Ų116.677%0.77374%0.742SS**  trans-89.687.6170.6-136.1-82.1000108.1Y75 S79Y75-Y77 HydrophobicContact CD1-CD2 4.47Å; Y77-S79 PolarHBondContact O-N 3.34Å
78D52.2Low48.7Very low136 Ų136117.9 Ų117.973%0.72775%0.745SS**PPolyproline II helixtrans-64.2117.4161.2-89.9-77.7000108.2V76V76-D78 PolarHBondContact O-N 3.28Å
79S59.6Low48.7Very low90 Ų90117.7 Ų117.763%0.62975%0.752SS**PPolyproline II helixtrans-93119.8170.9-63.10000108Y77 A81Y77-S79 PolarHBondContact O-N 3.34Å; S79-A81 PolarHBondContact O-N 3.43Å
80P53.8Low47.8Very low125 Ų125114.9 Ų114.981%0.81275%0.751SS**PPolyproline II helixtrans-68.2131.7173.926.7-31.9000110.1
81A55.3Low47.5Very low102 Ų102117.2 Ų117.284%0.84376%0.757SS**PPolyproline II helixtrans-67.3124.5164.300000109.1S79S79-A81 PolarHBondContact O-N 3.43Å
82N53.2Low47Very low163 Ų163122.9 Ų122.987%0.87276%0.759SS**  trans-145.3140145.4-157.46000111.1
83N49.3Very low46.6Very low124 Ų124124 Ų12466%0.66376%0.756SS**  trans-119.4139.8-157.9-159.48.3000106.6
84N52.2Low46.3Very low131 Ų131128.1 Ų128.170%0.70175%0.753SS**  trans65.6147.9155.7-73.7-40.2000117.3
85T41.8Very low46.1Very low133 Ų133132.7 Ų132.782%0.81677%0.765SS**  cis-174.4157.716.315.40000103.9
86G32.4Very low45.4Very low75 Ų75131.5 Ų131.577%0.77377%0.765SS**  cis158.8163.117.700000108.2
87G34.2Very low45.2Very low70 Ų70137.7 Ų137.772%0.72278%0.777SS**  trans94.7131.2164.600000115.4
88D35.2Very low44.7Very low146 Ų146134.6 Ų134.678%0.78178%0.778SS**  cis-165147.75.2-130.5-84.9000109.2
89S51.3Low43.8Very low106 Ų106138.7 Ų138.774%0.74179%0.785SS**  trans29.4144.6139.8-55.50000120.9
90A35.2Very low42.9Very low89 Ų89138.3 Ų138.374%0.73679%0.787SS**  cis-178.5169-1.600000107.4
91S45.8Very low42.6Very low116 Ų116137.9 Ų137.981%0.81179%0.785SS**  trans100.688.1157.7-50.70000119.3
92K40.3Very low41.8Very low198 Ų198142.5 Ų142.586%0.86179%0.786SS**  52.3133107.5-142.9-161171.2-171.90120.7
93V41.2Very low41.4Very low121 Ų121139.2 Ų139.273%0.73378%0.781SS**  trans109.3122.4144.1-1670000117.5
94E44.7Very low41.8Very low170 Ų170139.1 Ų139.179%0.79479%0.787SS**  trans-73.2150.2173.3-96.1172.98300115.1
95E42.9Very low41.6Very low173 Ų173139 Ų13981%0.80880%0.796SS**  trans59.8115.5133.4-161.1162.2102.900121.3
96K36.1Very low41.9Very low193 Ų193142.3 Ų142.384%0.83980%0.8SS**  174.5141100.2-166.4167.9-176.91780111.2
97R47.2Very low42.3Very low233 Ų233143.2 Ų143.288%0.87980%0.8SS**  trans-56.5154.9175.1-65.8174.2165.5121.4-3.1112.5
98V34.3Very low42.8Very low132 Ų132143.5 Ų143.580%0.880%0.803SS**  173.7134.2117154.40000111.9
99Y34.9Very low43.6Very low223 Ų223141.2 Ų141.288%0.87580%0.798SS**  trans74119159.8-102.7-114.3000122.8
100A40.2Very low44.1Very low81 Ų81144.1 Ų144.167%0.66980%0.804SS**  trans-75.1158.7155.600000109.9
101P46.9Very low45Very low117 Ų117145.1 Ų145.176%0.7680%0.801SS**  -148.3158.271.732.7-10.4000118.1
102K38.4Very low45.4Very low199 Ų199144.9 Ų144.987%0.86579%0.794SS**  trans34.9111147.7-59.7-175178.9-178.30120.1
103A44Very low45.7Very low93 Ų93144.8 Ų144.877%0.76979%0.794SS**  97.8169.586.900000112.5
104P58.1Low46.3Very low122 Ų122144.1 Ų144.179%0.79280%0.795SS**  -122.7154.7-54.735.6-21.9000111.1
105S49Very low46.9Very low128 Ų128138.2 Ų138.290%0.89578%0.779SS**  trans-150.2133.4157.143.90000112.1
106K47.8Very low47.9Very low204 Ų204138.1 Ų138.189%0.88778%0.779SS**  trans-67.1162.4-170.5-74.1171170.2172.90112.8
107A40.8Very low49.3Very low94 Ų94131.9 Ų131.978%0.77776%0.764SS**  trans79.584148.100000116.8
108G45.5Very low50.9Low76 Ų76123.8 Ų123.878%0.78474%0.738SS**  trans-136.952.5147.700000108.9I110G108-I110 PolarHBondContact O-N 3.49Å
109S51.2Low53.5Low97 Ų97122.2 Ų122.268%0.67872%0.724SS**  trans-66.289.1167.238.40000108T111S109-T111 PolarHBondContact O-N 3.39Å
110I61.5Low56.1Low168 Ų168111.6 Ų111.686%0.86268%0.682SS**  trans-63.398.5155.2-88.1173.3000105.8G108 T112G108-I110 PolarHBondContact O-N 3.49Å; I110-T112 PolarHBondContact O-N 2.87Å
111T54.5Low58.2Low110 Ų110109.6 Ų109.668%0.67566%0.663SS**  trans-64.1122.4165.8450000108.6S109S109-T111 PolarHBondContact O-N 3.39Å
112T53.4Low60.1Low111 Ų111107 Ų10768%0.68164%0.638SS**  trans59.884.7138.3-32.90000116.3I110 S114I110-T112 PolarHBondContact O-N 2.87Å; T112-S114 WeakPolarHBondContact CG2-OG 3.45Å
113F46.8Very low62.4Low196 Ų19699.5 Ų99.586%0.8661%0.61SS**  trans-90.3111.9133-167.7-100.7000105.4G115F113-G115 PolarHBondContact O-N 2.88Å
114S53.6Low64.5Low107 Ų107101 Ų10175%0.74861%0.605SS**  trans-64.265.3172-63.90000110.2T112T112-S114 WeakPolarHBondContact CG2-OG 3.45Å
115G57.8Low65.9Low45 Ų45102 Ų10246%0.46460%0.597SS.*  trans-91.4115.5164.200000106.4F113 A117F113-G115 PolarHBondContact O-N 2.88Å; G115-A117 PolarHBondContact O-N 3.27Å; G115-A117 VanDerWaalsContact O-N 3.13Å
116E64.2Low67.8Low172 Ų172101.9 Ų101.980%0.80458%0.58SS**  trans-42.9123.2170.8-67.8142.4107.100108.8N118E116-N118 PolarHBondContact O-N 3.14Å
117A64.7Low69.7Low62 Ų6292.9 Ų92.951%0.51254%0.542SS..  trans-64.7105.4-179.300000107.4G115 L119G115-A117 PolarHBondContact O-N 3.27Å; G115-A117 VanDerWaalsContact O-N 3.13Å; A117-L119 WeakPolarHBondContact O-CG 3.06Å; A117-L119 PolarHBondContact O-N 3.35Å
118N81.9Confident71.9Confident63 Ų6395.9 Ų95.934%0.33753%0.534SS..  trans-65.7105.8178.5-72.3-41.4000109.1E116 V127 D139E116-N118 PolarHBondContact O-N 3.14Å; N118-V127 WeakPolarHBondContact O-CB 3.32Å; N118-V127 PolarHBondContact O-N 3.41Å; N118-D139 HydrophobicContact CB-CB 3.73Å; N118-D139 WeakPolarHBondContact CB-OD2 3.17Å; N118-D139 PolarHBondContact ND2-OD2 3.09Å; N118-D139 PolarHBondContact OD1-OD2 3.31Å
119L87.8Confident73.7Confident98 Ų98100.1 Ų100.151%0.51353%0.532SS..BIsolated β-bridgetrans-95.4134.2-177.9-68.2169.1000109.8A117 P121 K126A117-L119 WeakPolarHBondContact O-CG 3.06Å; A117-L119 PolarHBondContact O-N 3.35Å; L119-P121 WeakPolarHBondContact O-CD 3.46Å; L119-K126 HydrophobicContact CD2-CG 3.9Å
120C88.9Confident75.3Confident0 Ų0100.1 Ų100.10%054%0.538CS..  trans-74.1120.4174.3179.90000109.9R122 C123 N124 K125 V127 D139 H141 C144C120-R122 PolarHBondContact O-N 3.39Å; C120-R122 VanDerWaalsContact O-N 3.14Å; C120-C123 VanDerWaalsContact CB-SG 3.53Å; C120-C123 PolarHBondContact O-N 2.69Å; C120-C123 VanDerWaalsContact SG-SG 3.63Å; C120-N124 WeakPolarHBondContact O-CA 3.31Å; C120-N124 PolarHBondContact O-N 3.06Å; C120-K125 PolarHBondContact N-O 2.92Å; C120-V127 HydrophobicContact CB-CG2 3.56Å; C120-D139 WeakPolarHBondContact CA-O 3.13Å; C120-H141 WeakPolarHBondContact CB-CE1 3.43Å; C120-H141 VanDerWaalsContact CB-ND1 3.32Å; C120-H141 WeakPolarHBondContact CB-ND1 3.18Å; C120-H141 PolarHBondContact SG-ND1 3.39Å; C120-H141 VanDerWaalsContact SG-ND1 3.41Å; C120-C144 VanDerWaalsContact SG-CB 3.55Å
121P85.5Confident76.2Confident39 Ų3996.6 Ų96.625%0.25352%0.518SS..THydrogen-bonded Turntrans-65.6-19.3-17825.9-34.9000113.3L119 D139 W140L119-P121 WeakPolarHBondContact O-CD 3.46Å; P121-D139 WeakPolarHBondContact CD-O 3.4Å; P121-W140 HydrophobicContact CB-CH2 4.38Å; P121-W140 HydrophobicContact CG-CD2 3.8Å; P121-W140 HydrophobicContact CG-CE3 3.85Å; P121-W140 HydrophobicContact CG-CH2 3.44Å; P121-W140 VanDerWaalsContact CG-CH2 3.44Å; P121-W140 HydrophobicContact CG-CZ2 3.34Å; P121-W140 HydrophobicContact CG-CZ3 3.68Å
122R85.9Confident77.7Confident64 Ų6495.5 Ų95.524%0.24250%0.504CS..THydrogen-bonded Turntrans-79.6-44.1177.9-170.5172.2-164.7147.44.4114.1C120 W140 C144 R146 E148C120-R122 PolarHBondContact O-N 3.39Å; C120-R122 VanDerWaalsContact O-N 3.14Å; R122-W140 HydrophobicContact CB-CE3 4.34Å; R122-W140 HydrophobicContact CB-CZ3 4.01Å; R122-C144 HydrophobicContact CB-CB 4.14Å; R122-C144 WeakPolarHBondContact CD-O 3.43Å; R122-C144 PolarHBondContact NH1-O 2.86Å; R122-R146 PolarHBondContact NH1-O 2.87Å; R122-E148 IonicContact CZ-OE2 3.54Å; R122-E148 IonicContact NH2-OE2 2.64Å; R122-E148 PolarHBondContact NH2-OE2 2.89Å
123C88Confident79.3Confident41 Ų4191 Ų9128%0.27748%0.476SS..THydrogen-bonded Turntrans-114.7-3.7-17269.30000113C120 K125 H141C120-C123 VanDerWaalsContact CB-SG 3.53Å; C120-C123 PolarHBondContact O-N 2.69Å; C120-C123 VanDerWaalsContact SG-SG 3.63Å; C123-K125 HydrophobicContact CB-CD 4.48Å; C123-K125 HydrophobicContact CB-CG 4.48Å; C123-K125 WeakPolarHBondContact O-CG 3.47Å; C123-K125 PolarHBondContact O-N 2.95Å; C123-H141 PolarHBondContact SG-CE1 2.84Å; C123-H141 PolarHBondContact SG-ND1 3.38Å
124N86.5Confident81.2Confident125 Ų12585.4 Ų85.467%0.66846%0.458SS*.  trans52.322.7-176.4-64.3-38.8000114.1C120C120-N124 WeakPolarHBondContact O-CA 3.31Å; C120-N124 PolarHBondContact O-N 3.06Å
125K87.8Confident82.4Confident142 Ų14280.6 Ų80.662%0.61742%0.424SS*.  trans-96.6151.3175.3-63.1172.7-172.2-178.10109.8C120 C123 V127C120-K125 PolarHBondContact N-O 2.92Å; C123-K125 HydrophobicContact CB-CD 4.48Å; C123-K125 HydrophobicContact CB-CG 4.48Å; C123-K125 WeakPolarHBondContact O-CG 3.47Å; C123-K125 PolarHBondContact O-N 2.95Å; K125-V127 PolarHBondContact O-N 2.64Å
126K89.2Confident83.5Confident126 Ų12683.9 Ų83.955%0.54843%0.43SS..BIsolated β-bridgetrans-60133.7173.7-63-178.6-178.8-179.80109.9L119 H141L119-K126 HydrophobicContact CD2-CG 3.9Å; K126-H141 PolarHBondContact O-NE2 3.25Å; K126-H141 VanDerWaalsContact O-NE2 3.11Å
127V88.2Confident84.4Confident14 Ų1479.2 Ų79.29%0.08543%0.428CS..  trans-97.2114.4176-173.30000107.5N118 C120 K125 K132 D139N118-V127 WeakPolarHBondContact O-CB 3.32Å; N118-V127 PolarHBondContact O-N 3.41Å; C120-V127 HydrophobicContact CB-CG2 3.56Å; K125-V127 PolarHBondContact O-N 2.64Å; V127-K132 HydrophobicContact CG1-CB 3.53Å; V127-D139 HydrophobicContact CB-CB 4.39Å; V127-D139 HydrophobicContact CG2-CB 4.4Å
128Y86.6Confident85.4Confident157 Ų15780.8 Ų80.862%0.61642%0.424SS*.  trans-83.6154.5176.8-63.9-80.2000110.8A130 E131 K132Y128-A130 PolarHBondContact O-N 2.75Å; Y128-E131 PolarHBondContact O-N 2.97Å; Y128-K132 PolarHBondContact O-N 2.82Å
129F83.1Confident85.8Confident165 Ų16578.4 Ų78.472%0.72441%0.411SS*.THydrogen-bonded Turntrans-52.7-30.2-177.8-72.7-89.5000114.6E131 K132F129-E131 VanDerWaalsContact C-N 3.32Å; F129-E131 PolarHBondContact O-N 2.97Å; F129-K132 HydrophobicContact CD1-CD 3.99Å
130A84.5Confident86Confident98 Ų9873.8 Ų73.881%0.8139%0.387SS*.THydrogen-bonded Turntrans-69.8-27.2178.400000113.7Y128Y128-A130 PolarHBondContact O-N 2.75Å
131E81.4Confident86Confident93 Ų9374.5 Ų74.544%0.43539%0.39SS..THydrogen-bonded Turntrans-115.9-0.7-174.8-62.9-172.1102.900113.2Y128 F129 R142Y128-E131 PolarHBondContact O-N 2.97Å; F129-E131 VanDerWaalsContact C-N 3.32Å; F129-E131 PolarHBondContact O-N 2.97Å; E131-R142 PolarHBondContact O-N 3.37Å
132K85.4Confident86.1Confident88 Ų8881.5 Ų81.538%0.38341%0.411SS..EExtended strand (participates in β ladder)trans-69133-17479.1174.2-177.9172.80112.3V127 Y128 F129V127-K132 HydrophobicContact CG1-CB 3.53Å; Y128-K132 PolarHBondContact O-N 2.82Å; F129-K132 HydrophobicContact CD1-CD 3.99Å
133V87.3Confident86.2Confident16 Ų1682.4 Ų82.410%0.09743%0.426CS..EExtended strand (participates in β ladder)trans-130.4107172.2-175.60000106.8W140 R142 L145 P156V133-W140 PolarHBondContact N-O 3.28Å; V133-W140 PolarHBondContact O-N 3.31Å; V133-R142 HydrophobicContact CG2-CB 4.24Å; V133-R142 HydrophobicContact CG2-CG 3.33Å; V133-L145 HydrophobicContact CG1-CD2 4.05Å; V133-P156 HydrophobicContact CG1-CB 3.55Å; V133-P156 HydrophobicContact CG1-CG 3.95Å
134T87.2Confident86.2Confident78 Ų7881.3 Ų81.348%0.47942%0.419SS..EExtended strand (participates in β ladder)trans-85126.2178.8-45.60000109.3K138 D139T134-K138 CarbonylContact C-O 3.58Å; T134-K138 WeakPolarHBondContact CA-O 3.5Å; T134-D139 WeakPolarHBondContact CB-OD1 3.12Å; T134-D139 PolarHBondContact OG1-OD1 3.06Å
135S79.3Confident86.4Confident6 Ų675.5 Ų75.54%0.04239%0.387CS..EExtended strand (participates in β ladder)trans-148.5137.7174.3-164.30000110.8G137 K138 G157 H159S135-G137 PolarHBondContact O-N 3.01Å; S135-G137 VanDerWaalsContact O-N 3.08Å; S135-K138 PolarHBondContact N-O 2.88Å; S135-K138 PolarHBondContact O-N 3.43Å; S135-K138 VanDerWaalsContact O-O 3.05Å; S135-G157 PolarHBondContact OG-N 3.48Å; S135-H159 WeakPolarHBondContact CB-CE1 3.5Å; S135-H159 VanDerWaalsContact CB-NE2 3.29Å; S135-H159 WeakPolarHBondContact CB-NE2 3.39Å; S135-H159 PolarHBondContact OG-CE1 3.11Å; S135-H159 PolarHBondContact OG-NE2 3.31Å
136L80.3Confident86.5Confident114 Ų11474.5 Ų74.560%0.59738%0.38SS*.THydrogen-bonded Turntrans50.831.7-176.8-62.4167.8000113.2K138 E161L136-K138 VanDerWaalsContact C-N 3.3Å; L136-K138 PolarHBondContact O-N 3.48Å; L136-E161 HydrophobicContact CD1-CB 3.58Å
137G83.4Confident86.6Confident74 Ų7468.5 Ų68.576%0.76335%0.354SS*.THydrogen-bonded Turntrans77.76.4-178.900000115.3S135S135-G137 PolarHBondContact O-N 3.01Å; S135-G137 VanDerWaalsContact O-N 3.08Å
138K86.3Confident86.6Confident95 Ų9572.9 Ų72.941%0.41337%0.373SS..EExtended strand (participates in β ladder)trans-115.8152.1174.5-63.4174.1-163.2-92.20110.8T134 S135 L136 E161T134-K138 CarbonylContact C-O 3.58Å; T134-K138 WeakPolarHBondContact CA-O 3.5Å; S135-K138 PolarHBondContact N-O 2.88Å; S135-K138 PolarHBondContact O-N 3.43Å; S135-K138 VanDerWaalsContact O-O 3.05Å; L136-K138 VanDerWaalsContact C-N 3.3Å; L136-K138 PolarHBondContact O-N 3.48Å; K138-E161 WeakPolarHBondContact CD-OE1 3.33Å; K138-E161 WeakPolarHBondContact CD-OE2 3.22Å; K138-E161 WeakPolarHBondContact CE-OE1 3.23Å; K138-E161 IonicContact NZ-OE1 3.93Å
139D90.1Very high86.6Confident14 Ų1471.7 Ų71.78%0.07537%0.367CS..EExtended strand (participates in β ladder)trans-100.9135.8177.4-71.5-63.1000112.1N118 C120 P121 V127 T134N118-D139 HydrophobicContact CB-CB 3.73Å; N118-D139 WeakPolarHBondContact CB-OD2 3.17Å; N118-D139 PolarHBondContact ND2-OD2 3.09Å; N118-D139 PolarHBondContact OD1-OD2 3.31Å; C120-D139 WeakPolarHBondContact CA-O 3.13Å; P121-D139 WeakPolarHBondContact CD-O 3.4Å; V127-D139 HydrophobicContact CB-CB 4.39Å; V127-D139 HydrophobicContact CG2-CB 4.4Å; T134-D139 WeakPolarHBondContact CB-OD1 3.12Å; T134-D139 PolarHBondContact OG1-OD1 3.06Å
140W90.4Very high86.9Confident0 Ų066.2 Ų66.20%035%0.349CS..EExtended strand (participates in β ladder)trans-128.6153.5-176.7-59.276.8000109.7P121 R122 V133 L145 E161 G164 P166P121-W140 HydrophobicContact CB-CH2 4.38Å; P121-W140 HydrophobicContact CG-CD2 3.8Å; P121-W140 HydrophobicContact CG-CE3 3.85Å; P121-W140 HydrophobicContact CG-CH2 3.44Å; P121-W140 VanDerWaalsContact CG-CH2 3.44Å; P121-W140 HydrophobicContact CG-CZ2 3.34Å; P121-W140 HydrophobicContact CG-CZ3 3.68Å; R122-W140 HydrophobicContact CB-CE3 4.34Å; R122-W140 HydrophobicContact CB-CZ3 4.01Å; V133-W140 PolarHBondContact N-O 3.28Å; V133-W140 PolarHBondContact O-N 3.31Å; W140-L145 HydrophobicContact CB-CB 4.35Å; W140-L145 HydrophobicContact CB-CD1 4.18Å; W140-L145 HydrophobicContact CD2-CD1 3.79Å; W140-L145 HydrophobicContact CE3-CD1 4.11Å; W140-L145 HydrophobicContact CG-CD1 3.82Å; W140-E161 HydrophobicContact CZ2-CG 4.46Å; W140-G164 WeakPolarHBondContact CH2-O 3.38Å; W140-P166 HydrophobicContact CE3-CG 4.35Å; W140-P166 HydrophobicContact CH2-CB 4.09Å; W140-P166 HydrophobicContact CH2-CG 3.88Å; W140-P166 HydrophobicContact CZ3-CB 4.29Å; W140-P166 HydrophobicContact CZ3-CG 3.65Å
141H90.3Very high87.1Confident16 Ų1666 Ų667%0.07434%0.342CS..EExtended strand (participates in β ladder)trans-75.4142.3161.4-5199000109.5C120 C123 K126 P143 C144 L145C120-H141 WeakPolarHBondContact CB-CE1 3.43Å; C120-H141 VanDerWaalsContact CB-ND1 3.32Å; C120-H141 WeakPolarHBondContact CB-ND1 3.18Å; C120-H141 PolarHBondContact SG-ND1 3.39Å; C120-H141 VanDerWaalsContact SG-ND1 3.41Å; C123-H141 PolarHBondContact SG-CE1 2.84Å; C123-H141 PolarHBondContact SG-ND1 3.38Å; K126-H141 PolarHBondContact O-NE2 3.25Å; K126-H141 VanDerWaalsContact O-NE2 3.11Å; H141-P143 VanDerWaalsContact C-N 3.32Å; H141-P143 HydrophobicContact CB-CG 4.05Å; H141-C144 HydrophobicContact CB-CB 3.95Å; H141-C144 WeakPolarHBondContact O-CA 3.29Å; H141-C144 WeakPolarHBondContact O-CB 3.22Å; H141-C144 PolarHBondContact O-N 3.32Å; H141-L145 PolarHBondContact O-N 3.28Å
142R87.4Confident87.4Confident185 Ų18568.2 Ų68.270%0.69835%0.35SS*.THydrogen-bonded Turntrans-41.9-48.9168.8-77.9173.3143.4-151.7-3.9114.5E131 V133E131-R142 PolarHBondContact O-N 3.37Å; V133-R142 HydrophobicContact CG2-CB 4.24Å; V133-R142 HydrophobicContact CG2-CG 3.33Å
143P87.9Confident87.5Confident83 Ų8368.9 Ų68.954%0.53936%0.362SS..THydrogen-bonded Turntrans-74-22.4176.828.1-37.3000114.3H141H141-P143 VanDerWaalsContact C-N 3.32Å; H141-P143 HydrophobicContact CB-CG 4.05Å
144C88.8Confident87.5Confident19 Ų1969 Ų6913%0.12836%0.362CS..THydrogen-bonded Turntrans-79.5-22.7178.9-71.20000112.3C120 R122 H141 R146C120-C144 VanDerWaalsContact SG-CB 3.55Å; R122-C144 HydrophobicContact CB-CB 4.14Å; R122-C144 WeakPolarHBondContact CD-O 3.43Å; R122-C144 PolarHBondContact NH1-O 2.86Å; H141-C144 HydrophobicContact CB-CB 3.95Å; H141-C144 WeakPolarHBondContact O-CA 3.29Å; H141-C144 WeakPolarHBondContact O-CB 3.22Å; H141-C144 PolarHBondContact O-N 3.32Å; C144-R146 PolarHBondContact O-N 3.38Å
145L89.6Confident87.4Confident3 Ų368 Ų682%0.01636%0.361CS..  trans-80.866176.6-163.175.7000111.8V133 W140 H141 L154 H159 P166V133-L145 HydrophobicContact CG1-CD2 4.05Å; W140-L145 HydrophobicContact CB-CB 4.35Å; W140-L145 HydrophobicContact CB-CD1 4.18Å; W140-L145 HydrophobicContact CD2-CD1 3.79Å; W140-L145 HydrophobicContact CE3-CD1 4.11Å; W140-L145 HydrophobicContact CG-CD1 3.82Å; H141-L145 PolarHBondContact O-N 3.28Å; L145-L154 HydrophobicContact CD2-CB 4.3Å; L145-L154 WeakPolarHBondContact CD2-O 3.32Å; L145-L154 HydrophobicContact CG-CB 4.12Å; L145-L154 PolarHBondContact O-N 2.86Å; L145-H159 VanDerWaalsContact CD1-CE1 3.43Å; L145-H159 WeakPolarHBondContact CD1-CE1 3.45Å; L145-P166 HydrophobicContact CD1-CB 4.01Å; L145-P166 HydrophobicContact CD1-CG 4.36Å
146R90.4Very high87.5Confident121 Ų12171.8 Ų71.846%0.45739%0.385SS..BIsolated β-bridgetrans-126.6140177.861-177.6176.5173.9-1.5110.2R122 C144 E148 K152 P166R122-R146 PolarHBondContact NH1-O 2.87Å; C144-R146 PolarHBondContact O-N 3.38Å; R146-E148 PolarHBondContact O-N 2.93Å; R146-K152 CarbonylContact C-O 3.59Å; R146-K152 VanDerWaalsContact CA-O 3.32Å; R146-K152 WeakPolarHBondContact CA-O 3.39Å; R146-P166 WeakPolarHBondContact O-CG 3.37Å
147C91.1Very high87.6Confident0 Ų069.4 Ų69.40%039%0.388CS..  trans-61.3133.7-179.4-179.10000111.2C150 S151 K152 L154 P166C147-C150 WeakPolarHBondContact CB-SG 3.45Å; C147-S151 WeakPolarHBondContact O-CA 3.43Å; C147-S151 PolarHBondContact O-N 2.89Å; C147-K152 PolarHBondContact N-O 2.98Å; C147-L154 HydrophobicContact CB-CD1 4.11Å; C147-L154 HydrophobicContact CB-CD2 4.4Å; C147-L154 HydrophobicContact CB-CG 4.37Å; C147-P166 VanDerWaalsContact CA-O 3.31Å; C147-P166 WeakPolarHBondContact CA-O 3.3Å
148E88.9Confident87.5Confident106 Ų10669.5 Ų69.550%0.49538%0.377SS..THydrogen-bonded Turntrans-66.4-38.3178.1-167.564.6-172.200112.1R122 R146 P166 Y167R122-E148 IonicContact CZ-OE2 3.54Å; R122-E148 IonicContact NH2-OE2 2.64Å; R122-E148 PolarHBondContact NH2-OE2 2.89Å; R146-E148 PolarHBondContact O-N 2.93Å; E148-P166 PolarHBondContact N-O 2.77Å; E148-Y167 HydrophobicContact CB-CE1 4.15Å
149R86.6Confident87.5Confident131 Ų13165.1 Ų65.149%0.49436%0.358SS..THydrogen-bonded Turntrans-73.8-47.9-177.9-176.1178.7179.8-152.9-2.2113.9C172R149-C172 HydrophobicContact CB-CB 4.24Å
150C89Confident87.4Confident51 Ų5164.9 Ų64.935%0.34536%0.358SS..THydrogen-bonded Turntrans-108.41-173.4680000113.7C147 K152 C168C147-C150 WeakPolarHBondContact CB-SG 3.45Å; C150-K152 PolarHBondContact O-N 3.01Å; C150-K152 VanDerWaalsContact SG-CB 3.51Å; C150-C168 PolarHBondContact SG-SG 2.77Å
151S87.6Confident87.3Confident92 Ų9266.9 Ų66.964%0.64337%0.368SS*.  trans566.7-177.269.50000115.8C147 T153C147-S151 WeakPolarHBondContact O-CA 3.43Å; C147-S151 PolarHBondContact O-N 2.89Å; S151-T153 PolarHBondContact O-N 2.86Å
152K87.5Confident87Confident140 Ų14068.7 Ų68.761%0.60938%0.376SS*.PPolyproline II helixtrans-67.7131.4-179.7-172.4177.7-179.7-178.90110.4R146 C147 C150 L154R146-K152 CarbonylContact C-O 3.59Å; R146-K152 VanDerWaalsContact CA-O 3.32Å; R146-K152 WeakPolarHBondContact CA-O 3.39Å; C147-K152 PolarHBondContact N-O 2.98Å; C150-K152 PolarHBondContact O-N 3.01Å; C150-K152 VanDerWaalsContact SG-CB 3.51Å; K152-L154 PolarHBondContact O-N 3.01Å
153T88.8Confident86.8Confident103 Ų10366.3 Ų66.363%0.63238%0.377SS*.BIsolated β-bridgetrans-63.1124.9170.1-49.10000109.6S151S151-T153 PolarHBondContact O-N 2.86Å
154L87Confident86.5Confident19 Ų1963.3 Ų63.310%0.09936%0.361CS..PPolyproline II helixtrans-95.1147.8-176.4-63.8164.3000109.7L145 C147 K152 H159 P166 C168L145-L154 HydrophobicContact CD2-CB 4.3Å; L145-L154 WeakPolarHBondContact CD2-O 3.32Å; L145-L154 HydrophobicContact CG-CB 4.12Å; L145-L154 PolarHBondContact O-N 2.86Å; C147-L154 HydrophobicContact CB-CD1 4.11Å; C147-L154 HydrophobicContact CB-CD2 4.4Å; C147-L154 HydrophobicContact CB-CG 4.37Å; K152-L154 PolarHBondContact O-N 3.01Å; L154-H159 HydrophobicContact CB-CB 4.15Å; L154-H159 HydrophobicContact CD1-CB 3.72Å; L154-H159 HydrophobicContact CD2-CB 4.19Å; L154-H159 HydrophobicContact CG-CB 4.23Å; L154-P166 HydrophobicContact CD1-CB 3.81Å; L154-P166 HydrophobicContact CD1-CG 4.42Å; L154-C168 HydrophobicContact CD2-CB 4.26Å; L154-C168 WeakPolarHBondContact CD2-SG 3.04Å
155A84.6Confident86.4Confident57 Ų5766.4 Ų66.447%0.47137%0.374SS..PPolyproline II helixtrans-79.1144.5170.500000109.9G157 S158 H159A155-G157 PolarHBondContact O-N 2.94Å; A155-S158 PolarHBondContact O-N 3.03Å; A155-H159 PolarHBondContact O-ND1 3.41Å
156P81.4Confident86.4Confident84 Ų8466.3 Ų66.355%0.54537%0.373SS..THydrogen-bonded Turntrans-53.2133.8167.916.3-25.2000110.4V133 S158V133-P156 HydrophobicContact CG1-CB 3.55Å; V133-P156 HydrophobicContact CG1-CG 3.95Å; P156-S158 VanDerWaalsContact C-N 3.29Å; P156-S158 PolarHBondContact O-N 3.14Å
157G81.7Confident86.4Confident64 Ų6461.6 Ų61.666%0.6636%0.356SS*.THydrogen-bonded Turntrans80.2-10177.900000116.7S135 A155S135-G157 PolarHBondContact OG-N 3.48Å; A155-G157 PolarHBondContact O-N 2.94Å
158S82.8Confident86.4Confident76 Ų7662.2 Ų62.253%0.53136%0.36SS..SBendtrans-118.750.9176.9-162.30000112.2A155 P156A155-S158 PolarHBondContact O-N 3.03Å; P156-S158 VanDerWaalsContact C-N 3.29Å; P156-S158 PolarHBondContact O-N 3.14Å
159H86.1Confident86.3Confident3 Ų361.3 Ų61.31%0.01436%0.356CS..  trans-148.2156.717257-91.7000111.3S135 L145 L154 A155 Y167 H169S135-H159 WeakPolarHBondContact CB-CE1 3.5Å; S135-H159 VanDerWaalsContact CB-NE2 3.29Å; S135-H159 WeakPolarHBondContact CB-NE2 3.39Å; S135-H159 PolarHBondContact OG-CE1 3.11Å; S135-H159 PolarHBondContact OG-NE2 3.31Å; L145-H159 VanDerWaalsContact CD1-CE1 3.43Å; L145-H159 WeakPolarHBondContact CD1-CE1 3.45Å; L154-H159 HydrophobicContact CB-CB 4.15Å; L154-H159 HydrophobicContact CD1-CB 3.72Å; L154-H159 HydrophobicContact CD2-CB 4.19Å; L154-H159 HydrophobicContact CG-CB 4.23Å; A155-H159 PolarHBondContact O-ND1 3.41Å; H159-Y167 WeakPolarHBondContact CB-O 3.43Å; H159-H169 WeakPolarHBondContact CA-NE2 3.35Å; H159-H169 PolarHBondContact N-CD2 2.84Å; H159-H169 PolarHBondContact N-NE2 2.91Å; H159-H169 PolarHBondContact O-CE1 2.67Å; H159-H169 PolarHBondContact O-NE2 3.2Å
160A88Confident86.2Confident9 Ų963.8 Ų63.87%0.07437%0.37CS..EExtended strand (participates in β ladder)trans-96.6141.6171.300000109.2Y167 Y173A160-Y167 PolarHBondContact N-O 3.39Å; A160-Y167 PolarHBondContact O-N 3.29Å; A160-Y173 HydrophobicContact CB-CD1 4.01Å; A160-Y173 HydrophobicContact CB-CD2 3.3Å; A160-Y173 HydrophobicContact CB-CE1 4.31Å; A160-Y173 HydrophobicContact CB-CE2 3.66Å; A160-Y173 HydrophobicContact CB-CG 3.5Å; A160-Y173 VanDerWaalsContact CB-CG 3.5Å
161E87.4Confident86.1Confident43 Ų4365.4 Ų65.420%0.20138%0.38CS..EExtended strand (participates in β ladder)trans-101.6135.1169.9-174.3-178.6144.100109.2L136 K138 W140 G164L136-E161 HydrophobicContact CD1-CB 3.58Å; K138-E161 WeakPolarHBondContact CD-OE1 3.33Å; K138-E161 WeakPolarHBondContact CD-OE2 3.22Å; K138-E161 WeakPolarHBondContact CE-OE1 3.23Å; K138-E161 IonicContact NZ-OE1 3.93Å; W140-E161 HydrophobicContact CZ2-CG 4.46Å; E161-G164 WeakPolarHBondContact OE1-CA 3.36Å
162H84.9Confident86.1Confident53 Ų5361.2 Ų61.225%0.24535%0.351CS..EExtended strand (participates in β ladder)trans-136.7126.6169.5-163.3-75.9000107.9G164 Q165 Y167 Y173 F177H162-G164 VanDerWaalsContact C-N 3.27Å; H162-G164 PolarHBondContact O-N 3.04Å; H162-Q165 PolarHBondContact N-O 2.92Å; H162-Q165 WeakPolarHBondContact O-CB 3.4Å; H162-Q165 PolarHBondContact O-N 3.37Å; H162-Y167 HydrophobicContact CB-CD2 3.94Å; H162-Y167 HydrophobicContact CB-CE2 3.9Å; H162-Y173 HydrophobicContact CB-CE2 4.18Å; H162-F177 HydrophobicContact CB-CD2 4.15Å; H162-F177 HydrophobicContact CB-CE2 3.67Å; H162-F177 HydrophobicContact CB-CZ 3.87Å; H162-F177 AromaticContact CD2-CD1 3.4Å; H162-F177 WeakPolarHBondContact CD2-CD1 3.43Å; H162-F177 AromaticContact CD2-CD2 3.77Å; H162-F177 AromaticContact CD2-CE1 3.53Å; H162-F177 AromaticContact CD2-CE2 3.88Å; H162-F177 AromaticContact CD2-CG 3.52Å; H162-F177 AromaticContact CD2-CZ 3.76Å; H162-F177 AromaticContact CE1-CD1 3.66Å; H162-F177 AromaticContact CE1-CE1 3.23Å; H162-F177 WeakPolarHBondContact CE1-CE1 3.18Å; H162-F177 AromaticContact CE1-CZ 3.77Å; H162-F177 AromaticContact CG-CD1 3.92Å; H162-F177 AromaticContact CG-CD2 3.94Å; H162-F177 AromaticContact CG-CE1 3.57Å; H162-F177 AromaticContact CG-CE2 3.58Å; H162-F177 AromaticContact CG-CZ 3.37Å; H162-F177 AromaticContact ND1-CE1 3.36Å; H162-F177 WeakPolarHBondContact ND1-CE1 3.16Å; H162-F177 AromaticContact ND1-CZ 3.37Å; H162-F177 WeakPolarHBondContact ND1-CZ 3.41Å; H162-F177 AromaticContact NE2-CD1 3.22Å; H162-F177 WeakPolarHBondContact NE2-CD1 3.43Å; H162-F177 AromaticContact NE2-CE1 3.33Å; H162-F177 VanDerWaalsContact NE2-CE1 3.33Å; H162-F177 WeakPolarHBondContact NE2-CE1 3.5Å; H162-F177 AromaticContact NE2-CG 3.83Å; H162-F177 AromaticContact NE2-CZ 4Å
163D83.3Confident86.2Confident136 Ų13658.3 Ų58.373%0.72734%0.336SS*.THydrogen-bonded Turntrans49.539.4-177.5-59.2-52.3000115Q165D163-Q165 PolarHBondContact O-N 2.87Å
164G80.8Confident86.1Confident19 Ų1955.7 Ų55.720%0.19633%0.325CS..THydrogen-bonded Turntrans71.113.1-178.400000114.3W140 E161 H162W140-G164 WeakPolarHBondContact CH2-O 3.38Å; E161-G164 WeakPolarHBondContact OE1-CA 3.36Å; H162-G164 VanDerWaalsContact C-N 3.27Å; H162-G164 PolarHBondContact O-N 3.04Å
165Q86.3Confident86.1Confident84 Ų8458.6 Ų58.639%0.39334%0.343SS..EExtended strand (participates in β ladder)trans-115.4135.6176.2-63.11700.800110.4H162 D163 Y167H162-Q165 PolarHBondContact N-O 2.92Å; H162-Q165 WeakPolarHBondContact O-CB 3.4Å; H162-Q165 PolarHBondContact O-N 3.37Å; D163-Q165 PolarHBondContact O-N 2.87Å; Q165-Y167 HydrophobicContact CB-CE2 3.76Å; Q165-Y167 VanDerWaalsContact O-CD2 3.3Å; Q165-Y167 WeakPolarHBondContact O-CD2 3.41Å; Q165-Y167 PolarHBondContact OE1-OH 3.08Å
166P90.4Very high86.1Confident1 Ų159.3 Ų59.31%0.00634%0.339CS..EExtended strand (participates in β ladder)trans-88.4136.3-176.934.5-29.7000110.5W140 L145 R146 C147 E148 L154W140-P166 HydrophobicContact CE3-CG 4.35Å; W140-P166 HydrophobicContact CH2-CB 4.09Å; W140-P166 HydrophobicContact CH2-CG 3.88Å; W140-P166 HydrophobicContact CZ3-CB 4.29Å; W140-P166 HydrophobicContact CZ3-CG 3.65Å; L145-P166 HydrophobicContact CD1-CB 4.01Å; L145-P166 HydrophobicContact CD1-CG 4.36Å; R146-P166 WeakPolarHBondContact O-CG 3.37Å; C147-P166 VanDerWaalsContact CA-O 3.31Å; C147-P166 WeakPolarHBondContact CA-O 3.3Å; E148-P166 PolarHBondContact N-O 2.77Å; L154-P166 HydrophobicContact CD1-CB 3.81Å; L154-P166 HydrophobicContact CD1-CG 4.42Å
167Y90.3Very high86.3Confident22 Ų2258.8 Ų58.89%0.08633%0.328CS..EExtended strand (participates in β ladder)trans-128.3149.2179.4-68.1-88000111.3E148 H159 A160 H162 Q165 H169 C172 L176 F177E148-Y167 HydrophobicContact CB-CE1 4.15Å; H159-Y167 WeakPolarHBondContact CB-O 3.43Å; A160-Y167 PolarHBondContact N-O 3.39Å; A160-Y167 PolarHBondContact O-N 3.29Å; H162-Y167 HydrophobicContact CB-CD2 3.94Å; H162-Y167 HydrophobicContact CB-CE2 3.9Å; Q165-Y167 HydrophobicContact CB-CE2 3.76Å; Q165-Y167 VanDerWaalsContact O-CD2 3.3Å; Q165-Y167 WeakPolarHBondContact O-CD2 3.41Å; Q165-Y167 PolarHBondContact OE1-OH 3.08Å; Y167-H169 PolarHBondContact O-N 2.93Å; Y167-C172 HydrophobicContact CD1-CB 4.5Å; Y167-L176 HydrophobicContact CD1-CD1 4.06Å; Y167-L176 HydrophobicContact CE1-CD1 3.71Å; Y167-F177 HydrophobicContact CD2-CE2 4.14Å; Y167-F177 HydrophobicContact CE1-CE2 4.46Å; Y167-F177 HydrophobicContact CE2-CE2 4.01Å; Y167-F177 HydrophobicContact CE2-CZ 4.39Å; Y167-F177 HydrophobicContact CG-CE2 4.45Å
168C91.2Very high86.3Confident13 Ų1356.6 Ų56.69%0.08831%0.306CS..  trans-64.7134.5168.7-57.60000110.1C150 L154 K170 C172 Y173C150-C168 PolarHBondContact SG-SG 2.77Å; L154-C168 HydrophobicContact CD2-CB 4.26Å; L154-C168 WeakPolarHBondContact CD2-SG 3.04Å; C168-K170 VanDerWaalsContact C-N 3.27Å; C168-K170 PolarHBondContact O-N 2.85Å; C168-C172 HydrophobicContact CB-CB 4.02Å; C168-Y173 WeakPolarHBondContact O-CB 3.46Å; C168-Y173 PolarHBondContact O-N 2.96Å
169H87.1Confident86.2Confident88 Ų8859.4 Ų59.441%0.40732%0.322SS..Iπ-helixtrans-52-45.5173.6-73.2-69.1000112.6H159 Y167H159-H169 WeakPolarHBondContact CA-NE2 3.35Å; H159-H169 PolarHBondContact N-CD2 2.84Å; H159-H169 PolarHBondContact N-NE2 2.91Å; H159-H169 PolarHBondContact O-CE1 2.67Å; H159-H169 PolarHBondContact O-NE2 3.2Å; Y167-H169 PolarHBondContact O-N 2.93Å
170K83.9Confident85.5Confident182 Ų18267.3 Ų67.379%0.79136%0.357SS*.Iπ-helixtrans-135.9136.1174.7-63.3179.2-177.7173.40109.5C168C168-K170 VanDerWaalsContact C-N 3.27Å; C168-K170 PolarHBondContact O-N 2.85Å
171P86.8Confident84.2Confident86 Ų8669.9 Ų69.956%0.55838%0.384SS*.Iπ-helixcis-90-4.3-5.535.6-34.7000114.2V175P171-V175 HydrophobicContact CB-CG2 4.47Å; P171-V175 WeakPolarHBondContact O-CB 3.36Å; P171-V175 WeakPolarHBondContact O-CG2 3.36Å; P171-V175 PolarHBondContact O-N 3.26Å; P171-V175 VanDerWaalsContact O-N 3.14Å
172C88.1Confident82.9Confident4 Ų473.5 Ų73.53%0.02741%0.409CS..Iπ-helixtrans-66.9-52.3-165.9-64.40000113.7R149 Y167 C168 L176R149-C172 HydrophobicContact CB-CB 4.24Å; Y167-C172 HydrophobicContact CD1-CB 4.5Å; C168-C172 HydrophobicContact CB-CB 4.02Å; C172-L176 PolarHBondContact O-N 2.75Å
173Y89.6Confident81.3Confident78 Ų7878.9 Ų78.931%0.30644%0.439SS..Iπ-helixtrans-66.5-46.1-179.5-175.5-95.8000111.5A160 H162 C168 V175 L176 F177 G178A160-Y173 HydrophobicContact CB-CD1 4.01Å; A160-Y173 HydrophobicContact CB-CD2 3.3Å; A160-Y173 HydrophobicContact CB-CE1 4.31Å; A160-Y173 HydrophobicContact CB-CE2 3.66Å; A160-Y173 HydrophobicContact CB-CG 3.5Å; A160-Y173 VanDerWaalsContact CB-CG 3.5Å; H162-Y173 HydrophobicContact CB-CE2 4.18Å; C168-Y173 WeakPolarHBondContact O-CB 3.46Å; C168-Y173 PolarHBondContact O-N 2.96Å; Y173-V175 VanDerWaalsContact C-N 3.3Å; Y173-V175 PolarHBondContact O-N 3.03Å; Y173-L176 PolarHBondContact O-N 3.32Å; Y173-F177 HydrophobicContact CD2-CB 4.43Å; Y173-F177 AromaticContact CD2-CD2 3.55Å; Y173-F177 HydrophobicContact CD2-CD2 3.55Å; Y173-F177 HydrophobicContact CD2-CE2 4.29Å; Y173-F177 HydrophobicContact CD2-CG 4.39Å; Y173-F177 HydrophobicContact CE1-CB 4.4Å; Y173-F177 HydrophobicContact CE2-CB 4.15Å; Y173-F177 AromaticContact CE2-CD2 3.76Å; Y173-F177 HydrophobicContact CE2-CD2 3.76Å; Y173-F177 HydrophobicContact CE2-CG 4.24Å; Y173-F177 HydrophobicContact CG-CD2 4.22Å; Y173-F177 PolarHBondContact O-N 3.43Å; Y173-G178 PolarHBondContact O-N 2.8Å
174A87.3Confident79.7Confident49 Ų4977.8 Ų77.841%0.40544%0.438SS..Hα-helixtrans-59.7-34.5179.100000114.2G178A174-G178 WeakPolarHBondContact O-CA 3.2Å; A174-G178 PolarHBondContact O-N 3.45Å
175V86.3Confident78.2Confident79 Ų7980.6 Ų80.648%0.47947%0.467SS..Hα-helixtrans-76.3-34.7179.3169.60000112.4P171 Y173P171-V175 HydrophobicContact CB-CG2 4.47Å; P171-V175 WeakPolarHBondContact O-CB 3.36Å; P171-V175 WeakPolarHBondContact O-CG2 3.36Å; P171-V175 PolarHBondContact O-N 3.26Å; P171-V175 VanDerWaalsContact O-N 3.14Å; Y173-V175 VanDerWaalsContact C-N 3.3Å; Y173-V175 PolarHBondContact O-N 3.03Å
176L84.8Confident76.7Confident73 Ų7379.6 Ų79.638%0.38248%0.479SS..Hα-helixtrans-85.3-43.5-176.8-68.6170.6000111.9Y167 C172 Y173Y167-L176 HydrophobicContact CD1-CD1 4.06Å; Y167-L176 HydrophobicContact CE1-CD1 3.71Å; C172-L176 PolarHBondContact O-N 2.75Å; Y173-L176 PolarHBondContact O-N 3.32Å
177F85.6Confident74.7Confident72 Ų7286.3 Ų86.332%0.31652%0.519SS..Hα-helixtrans-124.9-1.6-168.5-48.7-68000113.5H162 Y167 Y173H162-F177 HydrophobicContact CB-CD2 4.15Å; H162-F177 HydrophobicContact CB-CE2 3.67Å; H162-F177 HydrophobicContact CB-CZ 3.87Å; H162-F177 AromaticContact CD2-CD1 3.4Å; H162-F177 WeakPolarHBondContact CD2-CD1 3.43Å; H162-F177 AromaticContact CD2-CD2 3.77Å; H162-F177 AromaticContact CD2-CE1 3.53Å; H162-F177 AromaticContact CD2-CE2 3.88Å; H162-F177 AromaticContact CD2-CG 3.52Å; H162-F177 AromaticContact CD2-CZ 3.76Å; H162-F177 AromaticContact CE1-CD1 3.66Å; H162-F177 AromaticContact CE1-CE1 3.23Å; H162-F177 WeakPolarHBondContact CE1-CE1 3.18Å; H162-F177 AromaticContact CE1-CZ 3.77Å; H162-F177 AromaticContact CG-CD1 3.92Å; H162-F177 AromaticContact CG-CD2 3.94Å; H162-F177 AromaticContact CG-CE1 3.57Å; H162-F177 AromaticContact CG-CE2 3.58Å; H162-F177 AromaticContact CG-CZ 3.37Å; H162-F177 AromaticContact ND1-CE1 3.36Å; H162-F177 WeakPolarHBondContact ND1-CE1 3.16Å; H162-F177 AromaticContact ND1-CZ 3.37Å; H162-F177 WeakPolarHBondContact ND1-CZ 3.41Å; H162-F177 AromaticContact NE2-CD1 3.22Å; H162-F177 WeakPolarHBondContact NE2-CD1 3.43Å; H162-F177 AromaticContact NE2-CE1 3.33Å; H162-F177 VanDerWaalsContact NE2-CE1 3.33Å; H162-F177 WeakPolarHBondContact NE2-CE1 3.5Å; H162-F177 AromaticContact NE2-CG 3.83Å; H162-F177 AromaticContact NE2-CZ 4Å; Y167-F177 HydrophobicContact CD2-CE2 4.14Å; Y167-F177 HydrophobicContact CE1-CE2 4.46Å; Y167-F177 HydrophobicContact CE2-CE2 4.01Å; Y167-F177 HydrophobicContact CE2-CZ 4.39Å; Y167-F177 HydrophobicContact CG-CE2 4.45Å; Y173-F177 HydrophobicContact CD2-CB 4.43Å; Y173-F177 AromaticContact CD2-CD2 3.55Å; Y173-F177 HydrophobicContact CD2-CD2 3.55Å; Y173-F177 HydrophobicContact CD2-CE2 4.29Å; Y173-F177 HydrophobicContact CD2-CG 4.39Å; Y173-F177 HydrophobicContact CE1-CB 4.4Å; Y173-F177 HydrophobicContact CE2-CB 4.15Å; Y173-F177 AromaticContact CE2-CD2 3.76Å; Y173-F177 HydrophobicContact CE2-CD2 3.76Å; Y173-F177 HydrophobicContact CE2-CG 4.24Å; Y173-F177 HydrophobicContact CG-CD2 4.22Å; Y173-F177 PolarHBondContact O-N 3.43Å
178G81.6Confident72.8Confident18 Ų1888.7 Ų88.719%0.18655%0.551CS.*SBendtrans-70158.5171.300000111.1Y173 A174 K180Y173-G178 PolarHBondContact O-N 2.8Å; A174-G178 WeakPolarHBondContact O-CA 3.2Å; A174-G178 PolarHBondContact O-N 3.45Å; G178-K180 PolarHBondContact O-N 2.91Å
179P80.1Confident70.7Confident135 Ų13593 Ų9388%0.87758%0.581SS**  trans-56111.4174.124.3-32.8000108.3G181P179-G181 VanDerWaalsContact C-N 3.28Å; P179-G181 PolarHBondContact O-N 3.33Å
180K71.1Confident69Low170 Ų17099.2 Ų99.274%0.73960%0.603SS**  trans-69.495.1174.3-71.3178.4-179168.10106.1G178 V182G178-K180 PolarHBondContact O-N 2.91Å; K180-V182 VanDerWaalsContact C-N 3.32Å; K180-V182 PolarHBondContact O-N 2.86Å
181G61.3Low67.7Low63 Ų6396.9 Ų96.965%0.64960%0.597SS**  trans-58100.9169.500000107.8P179 N183P179-G181 VanDerWaalsContact C-N 3.28Å; P179-G181 PolarHBondContact O-N 3.33Å; G181-N183 PolarHBondContact O-N 2.91Å
182V61.3Low65.9Low119 Ų119102.6 Ų102.672%0.72161%0.609SS**  trans-61.5108.3160.3-63.70000104.8K180 T184K180-V182 VanDerWaalsContact C-N 3.32Å; K180-V182 PolarHBondContact O-N 2.86Å; V182-T184 PolarHBondContact O-N 2.93Å
183N50.2Low64.4Low166 Ų166109.5 Ų109.589%0.88865%0.646SS**  trans-71.573.9162.8-72.2-74.6000106.2G181 G185G181-N183 PolarHBondContact O-N 2.91Å; N183-G185 PolarHBondContact O-N 3.35Å
184T49.4Very low62.3Low112 Ų112115 Ų11569%0.68767%0.671SS**  trans-72.385.9159.3-49.50000105.1V182 G186V182-T184 PolarHBondContact O-N 2.93Å; T184-G186 PolarHBondContact O-N 3.13Å
185G50.4Low60.8Low79 Ų79121 Ų12181%0.81469%0.691SS**  trans-60.7102.4168.200000109N183N183-G185 PolarHBondContact O-N 3.35Å
186G55.1Low59.1Low62 Ų62123.2 Ų123.264%0.63971%0.707SS**SBendtrans89.578153.400000116.2T184T184-G186 PolarHBondContact O-N 3.13Å
187V47.9Very low57.4Low142 Ų142124.8 Ų124.886%0.86172%0.724SS**  170.4134.3111.7-80.20000108.1
188G50.5Low55.7Low73 Ų73125.5 Ų125.575%0.75374%0.743SS**  trans-74.1158.6-170.200000114.5
189S46.1Very low53.9Low102 Ų102131 Ų13171%0.71377%0.773SS**  trans-179.9132135.749.10000109I191S189-I191 PolarHBondContact O-N 2.7Å
190Y52.4Low52.1Low220 Ų220130.7 Ų130.786%0.86377%0.769SS**  trans-55.5123.1164.5-69.3-98.4000109.2
191I56Low50.7Low132 Ų132130.5 Ų130.568%0.67777%0.771SS**  trans-101.499.1160.4-57.1174.7000105.2S189 D193S189-I191 PolarHBondContact O-N 2.7Å; I191-D193 PolarHBondContact O-N 3.49Å
192Y49.1Very low50.4Low207 Ų207136.9 Ų136.981%0.81280%0.8SS**  trans-72.9105.2153.9-96.1-94.8000105.4K194Y192-K194 PolarHBondContact O-N 2.88Å
193D55.7Low49.8Very low149 Ų149137.8 Ų137.880%0.79780%0.804SS**  trans-65.498160.8-75.8-58000107I191 E195I191-D193 PolarHBondContact O-N 3.49Å; D193-E195 PolarHBondContact O-N 3.39Å
194K45.2Very low49.8Very low193 Ų193136.3 Ų136.384%0.83980%0.8SS**  trans-58.4119.8172.4-176.5171.2-179177.60108.1Y192 P196Y192-K194 PolarHBondContact O-N 2.88Å; K194-P196 WeakPolarHBondContact O-CD 3.37Å
195E56.1Low49.8Very low174 Ų174137.6 Ų137.681%0.81381%0.806SS**  trans-44.9129.6162.1-75.8170.994.200110D193D193-E195 PolarHBondContact O-N 3.39Å
196P51.3Low49.8Very low127 Ų127141.1 Ų141.183%0.82581%0.806SS**  trans-90.996.3154.330.8-23.9000108K194K194-P196 WeakPolarHBondContact O-CD 3.37Å
197S49.8Very low49.5Very low105 Ų105146 Ų14673%0.73482%0.816SS**  trans-50.5136.6154.439.90000110.6
198A48.3Very low49.6Very low87 Ų87146.3 Ų146.372%0.71981%0.813SS**  trans31.8134.9146.500000120.1
199V45.8Very low49.5Very low133 Ų133151.5 Ų151.581%0.80682%0.817SS**  159.5120.1119.1160.50000112.8
200T41.2Very low49.8Very low129 Ų129155.3 Ų155.379%0.79183%0.825SS**  trans99130.8139.3-62.60000123.8
201Q41.3Very low49.5Very low167 Ų167149.9 Ų149.978%0.7882%0.822SS**  trans-61.7173.6172.6-60.5168-59.300114
202P54.8Low48.9Very low196 Ų196151.5 Ų151.5100%1.27384%0.835SS**  -118095.534.3-34.5000114.9

Retrieved 202 of 202 residues in 81.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).