RS7_BOVIN Loading...

Small ribosomal subunit protein eS7

Component of the small ribosomal subunit. The ribosome is a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell. Required for rRNA maturation.

AlphaFold DB , UniProt , Accession A6H769, Species BOVIN (Bos taurus, Bovine), Gene RPS7, Length 194 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
1M33.1Very low63.1Low243 Ų24389.9 Ų89.9100%1.19752%0.517SS*.  097.70-79.5177170.700108.4S3M1-S3 PolarHBondContact O-N 3.17Å
2F36.4Very low64.3Low213 Ų21395.6 Ų95.693%0.93454%0.544SS*.  trans-69112.3163.8-76.9-85.2000105.6S4F2-S4 PolarHBondContact O-N 3.27Å
3S44.5Very low65.1Low102 Ų10293.4 Ų93.471%0.71356%0.556SS**  trans-58100.7163.31710000105.1M1 S5M1-S3 PolarHBondContact O-N 3.17Å; S3-S5 PolarHBondContact O-N 3.33Å; S3-S5 PolarHBondContact O-OG 3.14Å; S3-S5 VanDerWaalsContact O-OG 3.08Å
4S51.8Low66.1Low84 Ų8495.5 Ų95.559%0.58756%0.557SS**  trans-58.78617250.10000105.9F2 A6F2-S4 PolarHBondContact O-N 3.27Å; S4-A6 PolarHBondContact O-N 3.28Å
5S58.7Low67.2Low83 Ų83101.5 Ų101.558%0.5857%0.574SS**  trans-63.4112.3-175.4-24.60000104.2S3 K7S3-S5 PolarHBondContact O-N 3.33Å; S3-S5 PolarHBondContact O-OG 3.14Å; S3-S5 VanDerWaalsContact O-OG 3.08Å; S5-K7 PolarHBondContact O-N 2.58Å
6A68.2Low68.2Low56 Ų5698.6 Ų98.646%0.46356%0.56SS.*  trans-54.9122.5-177.800000107.6S4 I8S4-A6 PolarHBondContact O-N 3.28Å; A6-I8 HydrophobicContact CB-CG2 4.23Å; A6-I8 PolarHBondContact O-N 3.01Å; A6-I8 VanDerWaalsContact O-N 3.1Å
7K79.3Confident69.4Low10 Ų1098.6 Ų98.64%0.04356%0.558CS.*SBendtrans-66.9-9.5177.7-72.4-71.6173.2-176.20111.8S5 S24 L27 L28 E31 L40 R41 L43 N44 I45S5-K7 PolarHBondContact O-N 2.58Å; K7-S24 PolarHBondContact N-OG 3.16Å; K7-L27 HydrophobicContact CB-CB 4.44Å; K7-L27 HydrophobicContact CG-CB 4.27Å; K7-L28 HydrophobicContact CD-CD2 4.44Å; K7-L28 HydrophobicContact CG-CD2 3.77Å; K7-L28 HydrophobicContact CG-CG 3.89Å; K7-E31 WeakPolarHBondContact CE-OE2 3.47Å; K7-E31 IonicContact NZ-OE1 2.63Å; K7-E31 IonicContact NZ-OE2 2.86Å; K7-E31 PolarHBondContact NZ-OE2 3.19Å; K7-L40 PolarHBondContact NZ-O 2.85Å; K7-R41 PolarHBondContact NZ-O 2.7Å; K7-L43 VanDerWaalsContact CD-O 3.24Å; K7-L43 WeakPolarHBondContact CD-O 3.2Å; K7-N44 CarbonylContact O-C 3.49Å; K7-N44 VanDerWaalsContact O-CA 3.22Å; K7-N44 WeakPolarHBondContact O-CA 3.26Å; K7-N44 WeakPolarHBondContact O-CB 3.34Å; K7-I45 WeakPolarHBondContact O-CG1 3.41Å; K7-I45 PolarHBondContact O-N 3.35Å
8I82.5Confident70.4Confident16 Ų16103.3 Ų103.38%0.08258%0.575CS.*BIsolated β-bridgetrans-97.1125.3176.5-171.1160.2000112A6 K10 P16 E20 I45A6-I8 HydrophobicContact CB-CG2 4.23Å; A6-I8 PolarHBondContact O-N 3.01Å; A6-I8 VanDerWaalsContact O-N 3.1Å; I8-K10 HydrophobicContact CD1-CG 4.45Å; I8-K10 HydrophobicContact CG1-CG 4.4Å; I8-P16 HydrophobicContact CD1-CB 4.12Å; I8-P16 HydrophobicContact CG2-CB 3.79Å; I8-P16 HydrophobicContact CG2-CG 4.17Å; I8-E20 HydrophobicContact CD1-CB 3.56Å; I8-E20 HydrophobicContact CD1-CG 4.06Å; I8-I45 CarbonylContact C-O 3.57Å; I8-I45 WeakPolarHBondContact CA-O 3.47Å; I8-I45 HydrophobicContact CB-CD1 4.38Å; I8-I45 HydrophobicContact CB-CG1 3.98Å; I8-I45 HydrophobicContact CG1-CG1 4.24Å
9V83.4Confident71.4Confident80 Ų80100.9 Ų100.949%0.48556%0.558SS.*  trans-122.395.8173.4-178.70000107.9N44 I45 T46V9-N44 HydrophobicContact CG2-CB 4.06Å; V9-I45 PolarHBondContact N-O 3.28Å; V9-T46 WeakPolarHBondContact O-CA 3.36Å
10K81.6Confident72.3Confident28 Ų2896.2 Ų96.212%0.12253%0.532CS..  trans-70.4146.8176.2-80.9-164.3175.3174.20111.3I8 N12 G13 E14 K15 D17 E20I8-K10 HydrophobicContact CD1-CG 4.45Å; I8-K10 HydrophobicContact CG1-CG 4.4Å; K10-N12 PolarHBondContact O-N 3.05Å; K10-G13 PolarHBondContact O-N 2.97Å; K10-E14 HydrophobicContact CB-CB 4.2Å; K10-E14 HydrophobicContact CD-CB 3.68Å; K10-E14 WeakPolarHBondContact CD-O 3.47Å; K10-K15 WeakPolarHBondContact CE-O 3.44Å; K10-K15 PolarHBondContact NZ-O 3.24Å; K10-D17 IonicContact NZ-OD1 2.92Å; K10-D17 PolarHBondContact NZ-OD1 3.45Å; K10-E20 WeakPolarHBondContact CE-OE2 3.36Å; K10-E20 IonicContact NZ-OE2 3.19Å; K10-E20 PolarHBondContact NZ-OE2 3.43Å
11P74.8Confident73.1Confident74 Ų7493.8 Ų93.848%0.48152%0.521SS..G310 helixtrans-58.8132.2166.727.4-32.5000108.9G13P11-G13 VanDerWaalsContact C-N 3.29Å; P11-G13 PolarHBondContact O-N 3.02Å
12N77.5Confident75.7Confident158 Ų15883.8 Ų83.885%0.84548%0.481SS*.G310 helixtrans70.88179.7-43-34.2000116.7K10K10-N12 PolarHBondContact O-N 3.05Å
13G73.9Confident78.3Confident67 Ų6773.7 Ų73.769%0.69144%0.437SS*.G310 helixtrans74.922.2175.200000114.8K10 P11K10-G13 PolarHBondContact O-N 2.97Å; P11-G13 VanDerWaalsContact C-N 3.29Å; P11-G13 PolarHBondContact O-N 3.02Å
14E79.8Confident80.4Confident123 Ų12369.1 Ų69.158%0.57540%0.404SS*.PPolyproline II helixtrans-59.3150.6172-71.5175.7-172.600111.6K10K10-E14 HydrophobicContact CB-CB 4.2Å; K10-E14 HydrophobicContact CD-CB 3.68Å; K10-E14 WeakPolarHBondContact CD-O 3.47Å
15K82.1Confident82.2Confident186 Ų18670 Ų7081%0.80940%0.399SS*.PPolyproline II helixtrans-69.1139.1177.8-67.5-176.3-179.2179.60110.3K10K10-K15 WeakPolarHBondContact CE-O 3.44Å; K10-K15 PolarHBondContact NZ-O 3.24Å
16P83.2Confident83.7Confident55 Ų5566 Ų6636%0.35737%0.371SS..PPolyproline II helixtrans-68.6146.4176.230.1-34.5000110.8I8 E20I8-P16 HydrophobicContact CD1-CB 4.12Å; I8-P16 HydrophobicContact CG2-CB 3.79Å; I8-P16 HydrophobicContact CG2-CG 4.17Å; P16-E20 HydrophobicContact CB-CB 4.31Å
17D88.2Confident84.7Confident98 Ų9863.6 Ų63.652%0.52435%0.351SS..PPolyproline II helixtrans-74164.8174.7-59.1-12.4000109.4K10 F19 E20 S21K10-D17 IonicContact NZ-OD1 2.92Å; K10-D17 PolarHBondContact NZ-OD1 3.45Å; D17-F19 VanDerWaalsContact C-N 3.28Å; D17-F19 PolarHBondContact O-N 3.31Å; D17-E20 HydrophobicContact CB-CG 4.22Å; D17-E20 PolarHBondContact N-OE2 3.45Å; D17-E20 PolarHBondContact O-N 2.96Å; D17-S21 WeakPolarHBondContact O-CB 3.22Å; D17-S21 PolarHBondContact O-N 3.1Å; D17-S21 PolarHBondContact O-OG 3.01Å
18E88.1Confident85.1Confident183 Ų18364.2 Ų64.286%0.85535%0.354SS*.Hα-helixtrans-58-42.7179-67.4-177.6172.100111.9E20 S21 G22E18-E20 PolarHBondContact O-N 3.16Å; E18-S21 WeakPolarHBondContact O-CB 3.24Å; E18-S21 PolarHBondContact O-N 3.43Å; E18-G22 PolarHBondContact O-N 3.22Å
19F88.9Confident85.3Confident58 Ų5867.7 Ų67.725%0.25437%0.37SS..Hα-helixtrans-61-45176.6179.2-105.9000112.3D17 S21 G22 I23 A48 E50 I60D17-F19 VanDerWaalsContact C-N 3.28Å; D17-F19 PolarHBondContact O-N 3.31Å; F19-S21 VanDerWaalsContact C-N 3.32Å; F19-G22 PolarHBondContact O-N 3.37Å; F19-I23 HydrophobicContact CD1-CD1 3.94Å; F19-I23 HydrophobicContact CE1-CD1 3.31Å; F19-I23 HydrophobicContact CE1-CG1 4.46Å; F19-I23 HydrophobicContact CE2-CD1 4.25Å; F19-I23 HydrophobicContact CZ-CD1 3.5Å; F19-I23 VanDerWaalsContact CZ-CD1 3.5Å; F19-I23 HydrophobicContact CZ-CG1 4.42Å; F19-I23 PolarHBondContact O-N 3.01Å; F19-I23 VanDerWaalsContact O-N 3.09Å; F19-A48 HydrophobicContact CD1-CB 4.44Å; F19-A48 HydrophobicContact CE1-CB 4.15Å; F19-E50 HydrophobicContact CE1-CB 4.07Å; F19-E50 HydrophobicContact CE2-CB 4.02Å; F19-E50 WeakPolarHBondContact CE2-OE2 3.45Å; F19-E50 HydrophobicContact CZ-CB 3.69Å; F19-E50 HydrophobicContact CZ-CG 4.49Å; F19-I60 HydrophobicContact CE1-CG2 4.18Å; F19-I60 HydrophobicContact CE2-CD1 4.37Å; F19-I60 HydrophobicContact CZ-CB 4.41Å; F19-I60 HydrophobicContact CZ-CD1 4.02Å; F19-I60 HydrophobicContact CZ-CG1 3.95Å; F19-I60 HydrophobicContact CZ-CG2 3.83Å
20E89.8Confident85.5Confident7 Ų765.1 Ų65.13%0.03335%0.354CS..Hα-helixtrans-67.8-36.4178.7-64.6-178.9134.800111.9I8 K10 P16 D17 E18 G22 I23 S24 A47 A48I8-E20 HydrophobicContact CD1-CB 3.56Å; I8-E20 HydrophobicContact CD1-CG 4.06Å; K10-E20 WeakPolarHBondContact CE-OE2 3.36Å; K10-E20 IonicContact NZ-OE2 3.19Å; K10-E20 PolarHBondContact NZ-OE2 3.43Å; P16-E20 HydrophobicContact CB-CB 4.31Å; D17-E20 HydrophobicContact CB-CG 4.22Å; D17-E20 PolarHBondContact N-OE2 3.45Å; D17-E20 PolarHBondContact O-N 2.96Å; E18-E20 PolarHBondContact O-N 3.16Å; E20-G22 VanDerWaalsContact C-N 3.33Å; E20-I23 PolarHBondContact O-N 2.93Å; E20-S24 WeakPolarHBondContact O-CB 3.25Å; E20-S24 PolarHBondContact O-N 3.36Å; E20-A47 VanDerWaalsContact OE1-CA 3.28Å; E20-A47 WeakPolarHBondContact OE1-CA 3.49Å; E20-A48 HydrophobicContact CG-CB 4.17Å; E20-A48 WeakPolarHBondContact CG-O 3.47Å; E20-A48 PolarHBondContact OE1-N 3.18Å; E20-A48 VanDerWaalsContact OE1-N 3.07Å
21S88.5Confident85.6Confident45 Ų4565 Ų6532%0.31535%0.354SS..Hα-helixtrans-62.2-41.9172.9-59.50000110.6D17 E18 F19 I23 S24 Q25D17-S21 WeakPolarHBondContact O-CB 3.22Å; D17-S21 PolarHBondContact O-N 3.1Å; D17-S21 PolarHBondContact O-OG 3.01Å; E18-S21 WeakPolarHBondContact O-CB 3.24Å; E18-S21 PolarHBondContact O-N 3.43Å; F19-S21 VanDerWaalsContact C-N 3.32Å; S21-I23 PolarHBondContact O-N 2.78Å; S21-S24 PolarHBondContact O-N 2.85Å; S21-Q25 WeakPolarHBondContact O-CG 3.23Å; S21-Q25 PolarHBondContact O-N 3.08Å
22G89.1Confident86Confident34 Ų3468.3 Ų68.335%0.35136%0.364SS..Hα-helixtrans-59.9-41.4173.700000113.4E18 F19 E20 Q25 A26E18-G22 PolarHBondContact O-N 3.22Å; F19-G22 PolarHBondContact O-N 3.37Å; E20-G22 VanDerWaalsContact C-N 3.33Å; G22-Q25 PolarHBondContact O-N 3Å; G22-A26 PolarHBondContact O-N 2.79Å
23I91Very high86Confident1 Ų167.4 Ų67.41%0.00536%0.359CS..Hα-helixtrans-69.5-40.8175.5-68170.4000111.2F19 E20 S21 Q25 A26 L27 I45 A48 I60 I62 F87F19-I23 HydrophobicContact CD1-CD1 3.94Å; F19-I23 HydrophobicContact CE1-CD1 3.31Å; F19-I23 HydrophobicContact CE1-CG1 4.46Å; F19-I23 HydrophobicContact CE2-CD1 4.25Å; F19-I23 HydrophobicContact CZ-CD1 3.5Å; F19-I23 VanDerWaalsContact CZ-CD1 3.5Å; F19-I23 HydrophobicContact CZ-CG1 4.42Å; F19-I23 PolarHBondContact O-N 3.01Å; F19-I23 VanDerWaalsContact O-N 3.09Å; E20-I23 PolarHBondContact O-N 2.93Å; S21-I23 PolarHBondContact O-N 2.78Å; I23-Q25 VanDerWaalsContact C-N 3.31Å; I23-Q25 PolarHBondContact O-N 3.08Å; I23-A26 WeakPolarHBondContact O-CB 3.31Å; I23-A26 PolarHBondContact O-N 3.09Å; I23-L27 HydrophobicContact CG2-CD1 4.29Å; I23-L27 WeakPolarHBondContact O-CG 3.41Å; I23-L27 PolarHBondContact O-N 3.48Å; I23-I45 HydrophobicContact CG2-CD1 3.85Å; I23-A48 HydrophobicContact CD1-CB 3.33Å; I23-I60 HydrophobicContact CD1-CG2 3.51Å; I23-I62 HydrophobicContact CG2-CD1 3.92Å; I23-I62 HydrophobicContact CG2-CG1 4.37Å; I23-F87 HydrophobicContact CG1-CE2 4.39Å; I23-F87 HydrophobicContact CG1-CZ 4.11Å
24S88.8Confident85.9Confident5 Ų565.9 Ų65.94%0.03534%0.338CS..Hα-helixtrans-59.7-42.9175.5178.90000111.3K7 E20 S21 L27 L28K7-S24 PolarHBondContact N-OG 3.16Å; E20-S24 WeakPolarHBondContact O-CB 3.25Å; E20-S24 PolarHBondContact O-N 3.36Å; S21-S24 PolarHBondContact O-N 2.85Å; S24-L27 PolarHBondContact O-N 3.4Å; S24-L28 WeakPolarHBondContact O-CG 3.12Å; S24-L28 PolarHBondContact O-N 3.46Å
25Q89.3Confident85.8Confident102 Ų10267.7 Ų67.748%0.47735%0.352SS..Hα-helixtrans-65.5-41.3175.5-68.4-60.9-10.100112.1S21 G22 I23 L27 L28 E29S21-Q25 WeakPolarHBondContact O-CG 3.23Å; S21-Q25 PolarHBondContact O-N 3.08Å; G22-Q25 PolarHBondContact O-N 3Å; I23-Q25 VanDerWaalsContact C-N 3.31Å; I23-Q25 PolarHBondContact O-N 3.08Å; Q25-L27 VanDerWaalsContact C-N 3.31Å; Q25-L27 PolarHBondContact O-N 3.03Å; Q25-L28 PolarHBondContact O-N 2.83Å; Q25-L28 VanDerWaalsContact O-N 3.17Å; Q25-E29 WeakPolarHBondContact O-CG 3.21Å; Q25-E29 PolarHBondContact O-N 3.43Å
26A89.2Confident85.5Confident0 Ų059.4 Ų59.40%032%0.317CS..Hα-helixtrans-58.3-41.9173.800000112.8G22 I23 L30 L83 K86 F87G22-A26 PolarHBondContact O-N 2.79Å; I23-A26 WeakPolarHBondContact O-CB 3.31Å; I23-A26 PolarHBondContact O-N 3.09Å; A26-L30 VanDerWaalsContact O-CG 3.31Å; A26-L30 WeakPolarHBondContact O-CG 3.25Å; A26-L30 PolarHBondContact O-N 3.36Å; A26-L30 VanDerWaalsContact O-N 3.1Å; A26-L83 HydrophobicContact CB-CD2 4.02Å; A26-K86 HydrophobicContact CB-CD 3.73Å; A26-F87 HydrophobicContact CB-CE2 3.89Å; A26-F87 HydrophobicContact CB-CZ 4.04Å
27L88.9Confident85.3Confident5 Ų561.5 Ų61.53%0.02632%0.32CS..Hα-helixtrans-67.8-35.3176.5-70.8172.7000112.6K7 I23 S24 Q25 L30 E31 I45 L83K7-L27 HydrophobicContact CB-CB 4.44Å; K7-L27 HydrophobicContact CG-CB 4.27Å; I23-L27 HydrophobicContact CG2-CD1 4.29Å; I23-L27 WeakPolarHBondContact O-CG 3.41Å; I23-L27 PolarHBondContact O-N 3.48Å; S24-L27 PolarHBondContact O-N 3.4Å; Q25-L27 VanDerWaalsContact C-N 3.31Å; Q25-L27 PolarHBondContact O-N 3.03Å; L27-L30 PolarHBondContact O-N 2.62Å; L27-E31 PolarHBondContact O-N 3.45Å; L27-I45 HydrophobicContact CD1-CD1 3.99Å; L27-I45 HydrophobicContact CD1-CG1 4.36Å; L27-I45 HydrophobicContact CD1-CG2 3.69Å; L27-L83 HydrophobicContact CD2-CD1 4.16Å; L27-L83 HydrophobicContact CD2-CD2 4.34Å
28L87.8Confident85Confident23 Ų2360.4 Ų60.412%0.1233%0.325CS..Hα-helixtrans-67.1-43.4175.6-74.8170.4000112.1K7 S24 Q25 L30 E31 M32K7-L28 HydrophobicContact CD-CD2 4.44Å; K7-L28 HydrophobicContact CG-CD2 3.77Å; K7-L28 HydrophobicContact CG-CG 3.89Å; S24-L28 WeakPolarHBondContact O-CG 3.12Å; S24-L28 PolarHBondContact O-N 3.46Å; Q25-L28 PolarHBondContact O-N 2.83Å; Q25-L28 VanDerWaalsContact O-N 3.17Å; L28-L30 VanDerWaalsContact C-N 3.3Å; L28-L30 PolarHBondContact O-N 2.81Å; L28-E31 WeakPolarHBondContact O-CB 3.48Å; L28-E31 PolarHBondContact O-N 2.81Å; L28-E31 VanDerWaalsContact O-N 3.16Å; L28-M32 WeakPolarHBondContact O-CG 3.45Å; L28-M32 PolarHBondContact O-N 3.44Å
29E88Confident84.7Confident89 Ų8956.3 Ų56.342%0.41631%0.305SS..Hα-helixtrans-61-40.6174.6-72.6170.9-14200111.8Q25 E31 M32 N33 K86Q25-E29 WeakPolarHBondContact O-CG 3.21Å; Q25-E29 PolarHBondContact O-N 3.43Å; E29-E31 VanDerWaalsContact C-N 3.34Å; E29-M32 PolarHBondContact O-N 3.45Å; E29-N33 WeakPolarHBondContact O-CB 3.43Å; E29-N33 PolarHBondContact O-N 3.39Å; E29-N33 PolarHBondContact O-ND2 3.07Å; E29-K86 IonicContact OE1-NZ 3.18Å; E29-K86 PolarHBondContact OE1-NZ 2.92Å; E29-K86 IonicContact OE2-NZ 3.09Å; E29-K86 PolarHBondContact OE2-NZ 3.11Å
30L86.4Confident84.5Confident26 Ų2653.8 Ų53.814%0.13629%0.294CS..Hα-helixtrans-64.9-38174.5-69.5174.8000111.8A26 L27 L28 M32 S34 L40 E82 L83A26-L30 VanDerWaalsContact O-CG 3.31Å; A26-L30 WeakPolarHBondContact O-CG 3.25Å; A26-L30 PolarHBondContact O-N 3.36Å; A26-L30 VanDerWaalsContact O-N 3.1Å; L27-L30 PolarHBondContact O-N 2.62Å; L28-L30 VanDerWaalsContact C-N 3.3Å; L28-L30 PolarHBondContact O-N 2.81Å; L30-M32 VanDerWaalsContact C-N 3.29Å; L30-M32 PolarHBondContact O-N 3Å; L30-S34 VanDerWaalsContact O-CB 3.24Å; L30-S34 WeakPolarHBondContact O-CB 3.29Å; L30-S34 PolarHBondContact O-N 3.46Å; L30-S34 VanDerWaalsContact O-N 3.17Å; L30-S34 PolarHBondContact O-OG 2.98Å; L30-L40 HydrophobicContact CB-CD1 4.08Å; L30-E82 HydrophobicContact CD1-CB 3.93Å; L30-E82 HydrophobicContact CD2-CB 3.66Å; L30-E82 HydrophobicContact CD2-CG 4Å; L30-E82 HydrophobicContact CG-CB 4.47Å; L30-L83 HydrophobicContact CD1-CD2 3.79Å; L30-L83 HydrophobicContact CD1-CG 4.07Å
31E84.1Confident84.2Confident26 Ų2660.8 Ų60.812%0.12132%0.32CS..Hα-helixtrans-62-37.5173.2-179-179174.900112.1K7 L27 L28 E29 K37 L40 R41K7-E31 WeakPolarHBondContact CE-OE2 3.47Å; K7-E31 IonicContact NZ-OE1 2.63Å; K7-E31 IonicContact NZ-OE2 2.86Å; K7-E31 PolarHBondContact NZ-OE2 3.19Å; L27-E31 PolarHBondContact O-N 3.45Å; L28-E31 WeakPolarHBondContact O-CB 3.48Å; L28-E31 PolarHBondContact O-N 2.81Å; L28-E31 VanDerWaalsContact O-N 3.16Å; E29-E31 VanDerWaalsContact C-N 3.34Å; E31-K37 HydrophobicContact CG-CG 4.04Å; E31-K37 VanDerWaalsContact O-CB 3.22Å; E31-K37 WeakPolarHBondContact O-CB 3.42Å; E31-K37 VanDerWaalsContact O-CG 3.25Å; E31-K37 WeakPolarHBondContact O-CG 3.42Å; E31-L40 HydrophobicContact CB-CB 4.11Å; E31-L40 HydrophobicContact CB-CD1 4.33Å; E31-L40 HydrophobicContact CG-CB 4.24Å; E31-R41 WeakPolarHBondContact OE1-CA 3.29Å
32M83.4Confident84Confident143 Ų14365.9 Ų65.970%0.70434%0.34SS*.Hα-helixtrans-74.9-38.8-178-69.8-178.166.200113.1L28 E29 L30L28-M32 WeakPolarHBondContact O-CG 3.45Å; L28-M32 PolarHBondContact O-N 3.44Å; E29-M32 PolarHBondContact O-N 3.45Å; L30-M32 VanDerWaalsContact C-N 3.29Å; L30-M32 PolarHBondContact O-N 3Å
33N77.7Confident84.1Confident139 Ų13964.8 Ų64.874%0.74333%0.326SS*.Hα-helixtrans-101.4-5.5-167.2-64.9-31.4000114.6E29E29-N33 WeakPolarHBondContact O-CB 3.43Å; E29-N33 PolarHBondContact O-N 3.39Å; E29-N33 PolarHBondContact O-ND2 3.07Å
34S72.2Confident84Confident35 Ų3567.1 Ų67.125%0.24534%0.338CS..SBendtrans-119.6156.4-174.476.10000113.4L30 L36 K37L30-S34 VanDerWaalsContact O-CB 3.24Å; L30-S34 WeakPolarHBondContact O-CB 3.29Å; L30-S34 PolarHBondContact O-N 3.46Å; L30-S34 VanDerWaalsContact O-N 3.17Å; L30-S34 PolarHBondContact O-OG 2.98Å; S34-L36 PolarHBondContact O-N 3.09Å; S34-L36 WeakPolarHBondContact OG-CB 2.8Å; S34-L36 PolarHBondContact OG-N 2.8Å; S34-K37 PolarHBondContact O-N 3.42Å; S34-K37 VanDerWaalsContact O-N 3.14Å
35D77.5Confident84.2Confident161 Ų16166.9 Ų66.986%0.86134%0.336SS*.THydrogen-bonded Turntrans-60.3-11.4170-55.6-43.5000112.7K37D35-K37 PolarHBondContact O-N 3.16Å
36L75.5Confident84.2Confident13 Ų1362.8 Ų62.87%0.06832%0.318CS..THydrogen-bonded Turntrans-78.30.6177.2-54.5175000112.9S34 A38 Q39 L40 I75 R78 L79S34-L36 PolarHBondContact O-N 3.09Å; S34-L36 WeakPolarHBondContact OG-CB 2.8Å; S34-L36 PolarHBondContact OG-N 2.8Å; L36-A38 VanDerWaalsContact C-N 3.27Å; L36-A38 PolarHBondContact O-N 3.23Å; L36-A38 VanDerWaalsContact O-N 3.16Å; L36-Q39 PolarHBondContact O-N 3.05Å; L36-L40 HydrophobicContact CB-CD1 4Å; L36-L40 HydrophobicContact CB-CG 4.21Å; L36-L40 PolarHBondContact O-N 3.28Å; L36-I75 HydrophobicContact CD2-CG2 4.22Å; L36-R78 HydrophobicContact CD1-CB 4.13Å; L36-L79 HydrophobicContact CD1-CD2 3.95Å
37K78.1Confident84.3Confident99 Ų9963.5 Ų63.543%0.4332%0.324SS..Hα-helixtrans-46.4-47-178.4-175.1168.9-173.2173.90113.7E31 S34 D35 Q39 R41E31-K37 HydrophobicContact CG-CG 4.04Å; E31-K37 VanDerWaalsContact O-CB 3.22Å; E31-K37 WeakPolarHBondContact O-CB 3.42Å; E31-K37 VanDerWaalsContact O-CG 3.25Å; E31-K37 WeakPolarHBondContact O-CG 3.42Å; S34-K37 PolarHBondContact O-N 3.42Å; S34-K37 VanDerWaalsContact O-N 3.14Å; D35-K37 PolarHBondContact O-N 3.16Å; K37-Q39 VanDerWaalsContact C-N 3.34Å; K37-Q39 PolarHBondContact O-N 3.02Å; K37-R41 WeakPolarHBondContact O-CB 3.43Å; K37-R41 PolarHBondContact O-N 2.95Å; K37-R41 VanDerWaalsContact O-N 3.09Å
38A82.5Confident84.5Confident75 Ų7563.5 Ų63.562%0.6233%0.325SS*.Hα-helixtrans-64-39.7-178.800000112.3L36L36-A38 VanDerWaalsContact C-N 3.27Å; L36-A38 PolarHBondContact O-N 3.23Å; L36-A38 VanDerWaalsContact O-N 3.16Å
39Q82.4Confident84.8Confident96 Ų9668.1 Ų68.145%0.44934%0.344SS..Hα-helixtrans-77.9-39.3-178.8-67.5172-37.200111.6L36 K37 L43 I75L36-Q39 PolarHBondContact O-N 3.05Å; K37-Q39 VanDerWaalsContact C-N 3.34Å; K37-Q39 PolarHBondContact O-N 3.02Å; Q39-L43 WeakPolarHBondContact O-CD1 3.39Å; Q39-L43 VanDerWaalsContact O-CG 3.25Å; Q39-L43 WeakPolarHBondContact O-CG 3.33Å; Q39-I75 HydrophobicContact CB-CD1 4.47Å; Q39-I75 HydrophobicContact CB-CG2 4.17Å; Q39-I75 VanDerWaalsContact CD-CG2 3.49Å; Q39-I75 HydrophobicContact CG-CG2 4.39Å
40L84.8Confident85Confident5 Ų567 Ų673%0.02634%0.338CS..Hα-helixtrans-72.4-27.2-179.2-79.5175.5000113.3K7 L30 E31 L36 E42 L43 I75 L79K7-L40 PolarHBondContact NZ-O 2.85Å; L30-L40 HydrophobicContact CB-CD1 4.08Å; E31-L40 HydrophobicContact CB-CB 4.11Å; E31-L40 HydrophobicContact CB-CD1 4.33Å; E31-L40 HydrophobicContact CG-CB 4.24Å; L36-L40 HydrophobicContact CB-CD1 4Å; L36-L40 HydrophobicContact CB-CG 4.21Å; L36-L40 PolarHBondContact O-N 3.28Å; L40-E42 VanDerWaalsContact C-N 3.28Å; L40-E42 PolarHBondContact O-N 3.19Å; L40-L43 HydrophobicContact CD2-CD1 4.48Å; L40-L43 PolarHBondContact O-N 3.21Å; L40-L43 VanDerWaalsContact O-N 3.13Å; L40-I75 HydrophobicContact CD2-CD1 3.95Å; L40-I75 HydrophobicContact CG-CD1 4.41Å; L40-L79 HydrophobicContact CD1-CD2 4.06Å; L40-L79 HydrophobicContact CD2-CD1 4.04Å; L40-L79 HydrophobicContact CD2-CD2 3.87Å; L40-L79 HydrophobicContact CG-CD2 4.34Å
41R83.6Confident85.2Confident154 Ų15466.6 Ų66.658%0.58134%0.336SS*.Hα-helixtrans-52.9-44.3-177.2-172.7179.8-65.3179.73.9113.1K7 E31 K37K7-R41 PolarHBondContact NZ-O 2.7Å; E31-R41 WeakPolarHBondContact OE1-CA 3.29Å; K37-R41 WeakPolarHBondContact O-CB 3.43Å; K37-R41 PolarHBondContact O-N 2.95Å; K37-R41 VanDerWaalsContact O-N 3.09Å
42E84.7Confident85.5Confident153 Ų15372.4 Ų72.472%0.71536%0.364SS*.THydrogen-bonded Turntrans-87-10.5-175.5-61.4-178.8177.500113.6L40 Q68L40-E42 VanDerWaalsContact C-N 3.28Å; L40-E42 PolarHBondContact O-N 3.19Å; E42-Q68 PolarHBondContact O-NE2 2.9Å
43L89.5Confident85.4Confident11 Ų1166.1 Ų66.16%0.05833%0.333CS..  trans-91.5132.4-173.2-66179.1000111.6K7 Q39 L40 Q68 F72 I75K7-L43 VanDerWaalsContact CD-O 3.24Å; K7-L43 WeakPolarHBondContact CD-O 3.2Å; Q39-L43 WeakPolarHBondContact O-CD1 3.39Å; Q39-L43 VanDerWaalsContact O-CG 3.25Å; Q39-L43 WeakPolarHBondContact O-CG 3.33Å; L40-L43 HydrophobicContact CD2-CD1 4.48Å; L40-L43 PolarHBondContact O-N 3.21Å; L40-L43 VanDerWaalsContact O-N 3.13Å; L43-Q68 HydrophobicContact CD2-CB 4.05Å; L43-Q68 HydrophobicContact CD2-CG 4.36Å; L43-F72 HydrophobicContact CB-CD2 4.43Å; L43-F72 HydrophobicContact CB-CE1 4.47Å; L43-F72 HydrophobicContact CB-CE2 3.65Å; L43-F72 HydrophobicContact CB-CZ 3.69Å; L43-F72 HydrophobicContact CD1-CD1 4.41Å; L43-F72 HydrophobicContact CD1-CD2 4.09Å; L43-F72 HydrophobicContact CD1-CE1 4.4Å; L43-F72 HydrophobicContact CD1-CE2 4.1Å; L43-F72 HydrophobicContact CD1-CG 4.28Å; L43-F72 HydrophobicContact CD1-CZ 4.26Å; L43-F72 HydrophobicContact CD2-CD2 3.77Å; L43-F72 HydrophobicContact CD2-CE2 3.71Å; L43-F72 HydrophobicContact CG-CD2 4.3Å; L43-F72 HydrophobicContact CG-CE2 4Å; L43-F72 HydrophobicContact CG-CZ 4.37Å; L43-I75 HydrophobicContact CD1-CD1 3.43Å; L43-I75 VanDerWaalsContact CD1-CD1 3.43Å; L43-I75 HydrophobicContact CD1-CG1 4.46Å
44N90Very high85.1Confident49 Ų4962 Ų6226%0.26232%0.323SS..  trans-125.4155.2177-62.1-33.1000110K7 V9 P65 Q68K7-N44 CarbonylContact O-C 3.49Å; K7-N44 VanDerWaalsContact O-CA 3.22Å; K7-N44 WeakPolarHBondContact O-CA 3.26Å; K7-N44 WeakPolarHBondContact O-CB 3.34Å; V9-N44 HydrophobicContact CG2-CB 4.06Å; N44-P65 WeakPolarHBondContact O-CD 3.43Å; N44-Q68 PolarHBondContact O-OE1 3.48Å; N44-Q68 VanDerWaalsContact O-OE1 3.09Å
45I91.6Very high85Confident1 Ų163.9 Ų63.91%0.00535%0.348CS..BIsolated β-bridgetrans-106.8148.7172.462.3169.4000109.1K7 I8 V9 I23 L27 I62 F63 F72K7-I45 WeakPolarHBondContact O-CG1 3.41Å; K7-I45 PolarHBondContact O-N 3.35Å; I8-I45 CarbonylContact C-O 3.57Å; I8-I45 WeakPolarHBondContact CA-O 3.47Å; I8-I45 HydrophobicContact CB-CD1 4.38Å; I8-I45 HydrophobicContact CB-CG1 3.98Å; I8-I45 HydrophobicContact CG1-CG1 4.24Å; V9-I45 PolarHBondContact N-O 3.28Å; I23-I45 HydrophobicContact CG2-CD1 3.85Å; L27-I45 HydrophobicContact CD1-CD1 3.99Å; L27-I45 HydrophobicContact CD1-CG1 4.36Å; L27-I45 HydrophobicContact CD1-CG2 3.69Å; I45-I62 HydrophobicContact CB-CG2 3.99Å; I45-I62 HydrophobicContact CD1-CG2 4.46Å; I45-I62 HydrophobicContact CG2-CG2 3.49Å; I45-I62 VanDerWaalsContact CG2-CG2 3.49Å; I45-F63 CarbonylContact C-O 3.47Å; I45-F63 WeakPolarHBondContact CA-O 3.47Å; I45-F72 HydrophobicContact CG2-CZ 4.11Å
46T91.2Very high84.9Confident16 Ų1659.9 Ų59.910%0.09835%0.345CS..SBendtrans-92.3-35.6179.151.80000113.1V9 F63 P65 Q97V9-T46 WeakPolarHBondContact O-CA 3.36Å; T46-F63 PolarHBondContact N-O 2.95Å; T46-F63 VanDerWaalsContact OG1-C 3.28Å; T46-F63 WeakPolarHBondContact OG1-CB 3.06Å; T46-F63 PolarHBondContact OG1-O 3.38Å; T46-F63 VanDerWaalsContact OG1-O 3.07Å; T46-P65 HydrophobicContact CG2-CB 4.31Å; T46-P65 HydrophobicContact CG2-CG 3.65Å; T46-Q97 HydrophobicContact CG2-CB 4.22Å; T46-Q97 HydrophobicContact CG2-CG 4.47Å; T46-Q97 WeakPolarHBondContact OG1-CB 3.34Å
47A91.4Very high85.2Confident15 Ų1564.4 Ų64.412%0.12436%0.361CS..EExtended strand (participates in β ladder)trans-165.5161.7-176.900000109.1E20 F63E20-A47 VanDerWaalsContact OE1-CA 3.28Å; E20-A47 WeakPolarHBondContact OE1-CA 3.49Å; A47-F63 HydrophobicContact CB-CB 4.17Å; A47-F63 HydrophobicContact CB-CD2 3.95Å; A47-F63 HydrophobicContact CB-CG 4.44Å; A47-F63 WeakPolarHBondContact O-CB 3.42Å; A47-F63 PolarHBondContact O-N 2.67Å
48A92.8Very high85.9Confident4 Ų463.6 Ų63.63%0.03336%0.358CS..EExtended strand (participates in β ladder)trans-140.6143.1168.900000111.1F19 E20 I23 I61F19-A48 HydrophobicContact CD1-CB 4.44Å; F19-A48 HydrophobicContact CE1-CB 4.15Å; E20-A48 HydrophobicContact CG-CB 4.17Å; E20-A48 WeakPolarHBondContact CG-O 3.47Å; E20-A48 PolarHBondContact OE1-N 3.18Å; E20-A48 VanDerWaalsContact OE1-N 3.07Å; I23-A48 HydrophobicContact CD1-CB 3.33Å; A48-I61 CarbonylContact C-O 3.58Å; A48-I61 VanDerWaalsContact CA-O 3.27Å; A48-I61 WeakPolarHBondContact CA-O 3.24Å
49K92.3Very high86.4Confident120 Ų12060 Ų6052%0.52233%0.328SS..EExtended strand (participates in β ladder)trans-135.6133.8-178.3-64.5-173.2-178.2-175.20110.6I61 F63K49-I61 PolarHBondContact N-O 3.13Å; K49-I61 PolarHBondContact O-N 3.48Å; K49-F63 HydrophobicContact CB-CE2 4.38Å; K49-F63 HydrophobicContact CD-CE2 3.93Å; K49-F63 HydrophobicContact CG-CE2 4Å
50E92.4Very high87Confident65 Ų6555.5 Ų55.530%0.30431%0.307SS..EExtended strand (participates in β ladder)trans-87.6135.1166.6-170.2165.5-177.100109.6F19 K58 K90F19-E50 HydrophobicContact CE1-CB 4.07Å; F19-E50 HydrophobicContact CE2-CB 4.02Å; F19-E50 WeakPolarHBondContact CE2-OE2 3.45Å; F19-E50 HydrophobicContact CZ-CB 3.69Å; F19-E50 HydrophobicContact CZ-CG 4.49Å; E50-K58 WeakPolarHBondContact OE1-CD 3.4Å; E50-K90 WeakPolarHBondContact OE1-CD 3.44Å; E50-K90 WeakPolarHBondContact OE1-CE 3.44Å; E50-K90 IonicContact OE1-NZ 2.7Å; E50-K90 PolarHBondContact OE1-NZ 3.09Å; E50-K90 IonicContact OE2-NZ 2.81Å; E50-K90 PolarHBondContact OE2-NZ 3.39Å
51I91.9Very high87.5Confident18 Ų1855.3 Ų55.39%0.09231%0.306CS..EExtended strand (participates in β ladder)trans-130.1147.3174.559.1156.9000110.2V53 K58 A59 I61 V176 K179I51-V53 HydrophobicContact CD1-CG2 4.22Å; I51-K58 CarbonylContact O-C 3.54Å; I51-K58 WeakPolarHBondContact O-CA 3.24Å; I51-A59 HydrophobicContact CD1-CB 4.35Å; I51-A59 HydrophobicContact CG1-CB 3.97Å; I51-A59 WeakPolarHBondContact CG1-O 3.49Å; I51-A59 PolarHBondContact N-O 2.82Å; I51-A59 PolarHBondContact O-N 3.05Å; I51-I61 HydrophobicContact CD1-CD1 3.74Å; I51-I61 HydrophobicContact CD1-CG1 4.19Å; I51-I61 HydrophobicContact CG1-CD1 3.94Å; I51-I61 HydrophobicContact CG1-CG1 4.16Å; I51-I61 HydrophobicContact CG2-CD1 3.84Å; I51-V176 HydrophobicContact CD1-CB 3.92Å; I51-V176 HydrophobicContact CD1-CG1 4.21Å; I51-V176 HydrophobicContact CD1-CG2 3.5Å; I51-V176 VanDerWaalsContact CD1-CG2 3.5Å; I51-K179 HydrophobicContact CG2-CG 4.26Å
52E89.4Confident88Confident149 Ų14948 Ų4870%0.69628%0.279SS*.EExtended strand (participates in β ladder)trans-88128.6170.2-60-169.8156.200108.9K58E52-K58 HydrophobicContact CG-CD 4.38Å; E52-K58 HydrophobicContact CG-CG 4.3Å; E52-K58 VanDerWaalsContact OE1-CE 3.24Å; E52-K58 WeakPolarHBondContact OE1-CE 3.06Å; E52-K58 IonicContact OE1-NZ 3.98Å; E52-K58 PolarHBondContact OE1-NZ 3.17Å; E52-K58 VanDerWaalsContact OE1-NZ 3.09Å
53V81.8Confident88.5Confident10 Ų1041.6 Ų41.66%0.06125%0.249CC..PPolyproline II helixtrans-103.1151.9176.1176.10000107.4I51 R57 A59 T172I51-V53 HydrophobicContact CD1-CG2 4.22Å; V53-R57 WeakPolarHBondContact CA-O 3.36Å; V53-R57 WeakPolarHBondContact CB-O 3.22Å; V53-R57 PolarHBondContact N-O 3.28Å; V53-R57 VanDerWaalsContact O-O 3.1Å; V53-A59 HydrophobicContact CG2-CB 3.7Å; V53-T172 HydrophobicContact CG2-CG2 4.18Å
54G71.8Confident88.7Confident52 Ų5241.1 Ų41.154%0.53625%0.246SC..G310 helixtrans-49.1151.4171.100000112.5
55G70.8Confident88.9Confident75 Ų7540.1 Ų40.177%0.77324%0.242SC*.G310 helixtrans8015.5-178.200000114.9R57G55-R57 PolarHBondContact O-N 2.82Å
56G73.8Confident89Confident77 Ų7743.3 Ų43.379%0.79426%0.261SS*.G310 helixtrans76.64.3175.700000114.8
57R83.4Confident89.1Confident109 Ų10948.1 Ų48.141%0.41129%0.293SS..  trans-83.5146.8176-63.4-176.1-176.3177.16110.2V53 G55 H168V53-R57 WeakPolarHBondContact CA-O 3.36Å; V53-R57 WeakPolarHBondContact CB-O 3.22Å; V53-R57 PolarHBondContact N-O 3.28Å; V53-R57 VanDerWaalsContact O-O 3.1Å; G55-R57 PolarHBondContact O-N 2.82Å; R57-H168 PolarHBondContact NH1-O 2.71Å
58K91.5Very high89.1Confident81 Ų8149.3 Ų49.335%0.35230%0.296SS..EExtended strand (participates in β ladder)trans-107.3150.2172.8-59.1-166.9179.1-164.60109.7E50 I51 E52 K90 H91E50-K58 WeakPolarHBondContact OE1-CD 3.4Å; I51-K58 CarbonylContact O-C 3.54Å; I51-K58 WeakPolarHBondContact O-CA 3.24Å; E52-K58 HydrophobicContact CG-CD 4.38Å; E52-K58 HydrophobicContact CG-CG 4.3Å; E52-K58 VanDerWaalsContact OE1-CE 3.24Å; E52-K58 WeakPolarHBondContact OE1-CE 3.06Å; E52-K58 IonicContact OE1-NZ 3.98Å; E52-K58 PolarHBondContact OE1-NZ 3.17Å; E52-K58 VanDerWaalsContact OE1-NZ 3.09Å; K58-K90 HydrophobicContact CB-CD 4.43Å; K58-K90 HydrophobicContact CB-CG 4.17Å; K58-K90 VanDerWaalsContact O-CA 3.24Å; K58-K90 WeakPolarHBondContact O-CA 3.4Å; K58-H91 PolarHBondContact O-N 2.97Å
59A93.7Very high89.2Confident0 Ų049.9 Ų49.90%030%0.299CS..EExtended strand (participates in β ladder)trans-129.8139.6175.900000110.8I51 V53 H91 T172 V176I51-A59 HydrophobicContact CD1-CB 4.35Å; I51-A59 HydrophobicContact CG1-CB 3.97Å; I51-A59 WeakPolarHBondContact CG1-O 3.49Å; I51-A59 PolarHBondContact N-O 2.82Å; I51-A59 PolarHBondContact O-N 3.05Å; V53-A59 HydrophobicContact CG2-CB 3.7Å; A59-H91 CarbonylContact C-O 3.54Å; A59-H91 VanDerWaalsContact CA-O 3.22Å; A59-H91 WeakPolarHBondContact CA-O 3.44Å; A59-H91 HydrophobicContact CB-CB 4.36Å; A59-T172 HydrophobicContact CB-CG2 3.64Å; A59-V176 HydrophobicContact CB-CG2 4.24Å
60I94.9Very high89.2Confident1 Ų151.1 Ų51.11%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-100.7117.9175.7-55.9-176000107.5F19 I23 I62 F87 K90 H91 V92 V93F19-I60 HydrophobicContact CE1-CG2 4.18Å; F19-I60 HydrophobicContact CE2-CD1 4.37Å; F19-I60 HydrophobicContact CZ-CB 4.41Å; F19-I60 HydrophobicContact CZ-CD1 4.02Å; F19-I60 HydrophobicContact CZ-CG1 3.95Å; F19-I60 HydrophobicContact CZ-CG2 3.83Å; I23-I60 HydrophobicContact CD1-CG2 3.51Å; I60-I62 HydrophobicContact CG2-CG1 3.98Å; I60-F87 HydrophobicContact CD1-CB 3.86Å; I60-F87 HydrophobicContact CD1-CD1 4.12Å; I60-F87 HydrophobicContact CD1-CD2 4.08Å; I60-F87 HydrophobicContact CD1-CG 3.76Å; I60-K90 HydrophobicContact CD1-CB 4.24Å; I60-K90 HydrophobicContact CD1-CD 3.94Å; I60-K90 HydrophobicContact CG1-CB 4.12Å; I60-K90 HydrophobicContact CG1-CD 4.06Å; I60-H91 PolarHBondContact N-O 3.3Å; I60-V92 HydrophobicContact CB-CG2 4.32Å; I60-V92 HydrophobicContact CD1-CG2 4.46Å; I60-V93 PolarHBondContact O-N 3.09Å
61I94.9Very high89.2Confident1 Ų150.9 Ų50.91%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-96.2117.7172.5-53.2168.1000107.6A48 K49 I51 F63 I95 V176 L180A48-I61 CarbonylContact C-O 3.58Å; A48-I61 VanDerWaalsContact CA-O 3.27Å; A48-I61 WeakPolarHBondContact CA-O 3.24Å; K49-I61 PolarHBondContact N-O 3.13Å; K49-I61 PolarHBondContact O-N 3.48Å; I51-I61 HydrophobicContact CD1-CD1 3.74Å; I51-I61 HydrophobicContact CD1-CG1 4.19Å; I51-I61 HydrophobicContact CG1-CD1 3.94Å; I51-I61 HydrophobicContact CG1-CG1 4.16Å; I51-I61 HydrophobicContact CG2-CD1 3.84Å; I61-F63 HydrophobicContact CB-CE2 4.34Å; I61-F63 HydrophobicContact CG2-CD2 4.27Å; I61-F63 HydrophobicContact CG2-CE1 4.06Å; I61-F63 HydrophobicContact CG2-CE2 3.75Å; I61-F63 HydrophobicContact CG2-CZ 3.65Å; I61-I95 HydrophobicContact CG2-CB 4.46Å; I61-I95 HydrophobicContact CG2-CD1 3.6Å; I61-I95 HydrophobicContact CG2-CG1 4.1Å; I61-V176 HydrophobicContact CD1-CG1 3.69Å; I61-V176 HydrophobicContact CG1-CG1 3.89Å; I61-L180 HydrophobicContact CD1-CD1 4.32Å; I61-L180 HydrophobicContact CD1-CD2 4.21Å; I61-L180 HydrophobicContact CD1-CG 4.34Å
62I94.9Very high89.3Confident1 Ų150.2 Ų50.21%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-103119.2173.6-58.3178.1000108.4I23 I45 I60 V64 L83 V92 V93 F94 I95I23-I62 HydrophobicContact CG2-CD1 3.92Å; I23-I62 HydrophobicContact CG2-CG1 4.37Å; I45-I62 HydrophobicContact CB-CG2 3.99Å; I45-I62 HydrophobicContact CD1-CG2 4.46Å; I45-I62 HydrophobicContact CG2-CG2 3.49Å; I45-I62 VanDerWaalsContact CG2-CG2 3.49Å; I60-I62 HydrophobicContact CG2-CG1 3.98Å; I62-V64 HydrophobicContact CG2-CG2 4.47Å; I62-L83 HydrophobicContact CD1-CD1 3.85Å; I62-V92 HydrophobicContact CD1-CG1 3.78Å; I62-V92 HydrophobicContact CG1-CG1 4.38Å; I62-V93 PolarHBondContact N-O 3.45Å; I62-F94 HydrophobicContact CB-CD1 3.8Å; I62-F94 HydrophobicContact CB-CE1 3.89Å; I62-F94 HydrophobicContact CD1-CD1 4.49Å; I62-F94 HydrophobicContact CD1-CE1 3.79Å; I62-F94 HydrophobicContact CD1-CZ 3.92Å; I62-F94 HydrophobicContact CG1-CE1 4.42Å; I62-F94 HydrophobicContact CG2-CD1 3.86Å; I62-F94 HydrophobicContact CG2-CE1 3.76Å; I62-F94 WeakPolarHBondContact O-CA 3.47Å; I62-I95 PolarHBondContact O-N 3.29Å
63F95.3Very high89.5Confident19 Ų1944.2 Ų44.28%0.08328%0.278CS..EExtended strand (participates in β ladder)trans-87.6129.9176.4-65.2-81.7000110.6I45 T46 A47 K49 I61 I95 Q97 L180I45-F63 CarbonylContact C-O 3.47Å; I45-F63 WeakPolarHBondContact CA-O 3.47Å; T46-F63 PolarHBondContact N-O 2.95Å; T46-F63 VanDerWaalsContact OG1-C 3.28Å; T46-F63 WeakPolarHBondContact OG1-CB 3.06Å; T46-F63 PolarHBondContact OG1-O 3.38Å; T46-F63 VanDerWaalsContact OG1-O 3.07Å; A47-F63 HydrophobicContact CB-CB 4.17Å; A47-F63 HydrophobicContact CB-CD2 3.95Å; A47-F63 HydrophobicContact CB-CG 4.44Å; A47-F63 WeakPolarHBondContact O-CB 3.42Å; A47-F63 PolarHBondContact O-N 2.67Å; K49-F63 HydrophobicContact CB-CE2 4.38Å; K49-F63 HydrophobicContact CD-CE2 3.93Å; K49-F63 HydrophobicContact CG-CE2 4Å; I61-F63 HydrophobicContact CB-CE2 4.34Å; I61-F63 HydrophobicContact CG2-CD2 4.27Å; I61-F63 HydrophobicContact CG2-CE1 4.06Å; I61-F63 HydrophobicContact CG2-CE2 3.75Å; I61-F63 HydrophobicContact CG2-CZ 3.65Å; F63-I95 CarbonylContact C-O 3.58Å; F63-I95 VanDerWaalsContact CA-O 3.24Å; F63-I95 WeakPolarHBondContact CA-O 3.35Å; F63-I95 HydrophobicContact CD1-CB 4.44Å; F63-Q97 HydrophobicContact CB-CB 4.35Å; F63-Q97 VanDerWaalsContact CG-OE1 3.27Å; F63-L180 HydrophobicContact CE1-CD2 4.47Å; F63-L180 HydrophobicContact CZ-CD2 3.98Å
64V93.9Very high90Very high0 Ų052.1 Ų52.10%031%0.311CS..EExtended strand (participates in β ladder)trans-117.1143.8-176.5171.10000110.1I62 V66 Q68 F72 F94 I95 A96 Q97I62-V64 HydrophobicContact CG2-CG2 4.47Å; V64-V66 PolarHBondContact O-N 3.23Å; V64-Q68 HydrophobicContact CG1-CB 4.1Å; V64-F72 HydrophobicContact CB-CD2 4.25Å; V64-F72 HydrophobicContact CB-CE2 4.3Å; V64-F72 HydrophobicContact CG1-CD2 3.21Å; V64-F72 HydrophobicContact CG1-CE2 3.4Å; V64-F72 VanDerWaalsContact CG1-CE2 3.4Å; V64-F72 HydrophobicContact CG1-CG 3.93Å; V64-F72 HydrophobicContact CG1-CZ 4.26Å; V64-F72 HydrophobicContact CG2-CD1 4.1Å; V64-F72 HydrophobicContact CG2-CD2 3.98Å; V64-F72 HydrophobicContact CG2-CE1 4.07Å; V64-F72 HydrophobicContact CG2-CE2 3.92Å; V64-F72 HydrophobicContact CG2-CG 4.05Å; V64-F72 HydrophobicContact CG2-CZ 3.96Å; V64-F94 HydrophobicContact CG2-CD1 3.81Å; V64-I95 PolarHBondContact N-O 3.36Å; V64-A96 CarbonylContact O-C 3.54Å; V64-A96 VanDerWaalsContact O-CA 3.26Å; V64-A96 WeakPolarHBondContact O-CA 3.45Å; V64-Q97 PolarHBondContact O-N 3.48Å
65P93.9Very high90.9Very high29 Ų2949.9 Ų49.919%0.18829%0.287CS..  trans-57.4133.3171.2-21.131.4000111.5N44 T46 P67 Q68 L69N44-P65 WeakPolarHBondContact O-CD 3.43Å; T46-P65 HydrophobicContact CG2-CB 4.31Å; T46-P65 HydrophobicContact CG2-CG 3.65Å; P65-P67 VanDerWaalsContact C-N 3.31Å; P65-P67 VanDerWaalsContact O-N 3.14Å; P65-Q68 HydrophobicContact CB-CB 4.46Å; P65-Q68 HydrophobicContact CB-CG 4.37Å; P65-Q68 PolarHBondContact O-N 3.44Å; P65-L69 PolarHBondContact O-N 3.13Å
66V92.9Very high91.9Very high67 Ų6746.6 Ų46.641%0.40625%0.252SS..G310 helixtrans-49.3-42.2-178.8179.50000113.9V64 Q68 L69 A96 Q97 R98V64-V66 PolarHBondContact O-N 3.23Å; V66-Q68 PolarHBondContact O-N 3.02Å; V66-L69 WeakPolarHBondContact O-CB 3.17Å; V66-L69 PolarHBondContact O-N 3.07Å; V66-A96 HydrophobicContact CG2-CB 4.07Å; V66-Q97 WeakPolarHBondContact CG2-O 3.37Å; V66-R98 HydrophobicContact CG2-CG 4.09Å
67P92.7Very high92.7Very high118 Ų11847.2 Ų47.277%0.76624%0.24SC*.G310 helixtrans-63.9-28.1178.3-22.835.3000114.1P65P65-P67 VanDerWaalsContact C-N 3.31Å; P65-P67 VanDerWaalsContact O-N 3.14Å
68Q93.1Very high93.1Very high40 Ų4049.8 Ų49.819%0.18725%0.249CC..G310 helixtrans-89.9-11.4-176.2-65.2-172.3-26.400113E42 L43 N44 V64 P65 V66 K70 S71 F72E42-Q68 PolarHBondContact O-NE2 2.9Å; L43-Q68 HydrophobicContact CD2-CB 4.05Å; L43-Q68 HydrophobicContact CD2-CG 4.36Å; N44-Q68 PolarHBondContact O-OE1 3.48Å; N44-Q68 VanDerWaalsContact O-OE1 3.09Å; V64-Q68 HydrophobicContact CG1-CB 4.1Å; P65-Q68 HydrophobicContact CB-CB 4.46Å; P65-Q68 HydrophobicContact CB-CG 4.37Å; P65-Q68 PolarHBondContact O-N 3.44Å; V66-Q68 PolarHBondContact O-N 3.02Å; Q68-K70 VanDerWaalsContact C-N 3.27Å; Q68-K70 PolarHBondContact O-N 3.4Å; Q68-S71 WeakPolarHBondContact O-CA 3.3Å; Q68-S71 WeakPolarHBondContact O-CB 3.4Å; Q68-S71 PolarHBondContact O-N 3.2Å; Q68-F72 HydrophobicContact CB-CD2 4.11Å; Q68-F72 HydrophobicContact CB-CE2 4.2Å; Q68-F72 WeakPolarHBondContact O-CD2 3.35Å; Q68-F72 PolarHBondContact O-N 3.06Å
69L93.4Very high93.1Very high16 Ų1646 Ų468%0.08423%0.233CC..Hα-helixtrans-50.9-44.4-177.7178.167000112.6P65 V66 S71 F72 Q73 A96 D132P65-L69 PolarHBondContact O-N 3.13Å; V66-L69 WeakPolarHBondContact O-CB 3.17Å; V66-L69 PolarHBondContact O-N 3.07Å; L69-S71 VanDerWaalsContact C-N 3.31Å; L69-S71 PolarHBondContact O-N 3.44Å; L69-F72 PolarHBondContact O-N 2.75Å; L69-Q73 HydrophobicContact CD1-CG 4.48Å; L69-Q73 HydrophobicContact CG-CG 4.5Å; L69-Q73 WeakPolarHBondContact O-CG 3.25Å; L69-Q73 PolarHBondContact O-N 2.99Å; L69-A96 HydrophobicContact CB-CB 4.2Å; L69-A96 HydrophobicContact CD1-CB 4.09Å; L69-A96 HydrophobicContact CD2-CB 3.94Å; L69-A96 HydrophobicContact CG-CB 4.28Å; L69-D132 WeakPolarHBondContact CD2-OD1 3.38Å
70K92.9Very high93Very high146 Ų14646.7 Ų46.764%0.63524%0.237SC*.Hα-helixtrans-65.2-34.4-179.8-75.1-73.9166.6-159.20112.8Q68 K74Q68-K70 VanDerWaalsContact C-N 3.27Å; Q68-K70 PolarHBondContact O-N 3.4Å; K70-K74 PolarHBondContact O-N 2.87Å
71S92.9Very high92.9Very high60 Ų6056 Ų5642%0.4227%0.272SS..Hα-helixtrans-71.3-39.6174.6-590000111.3Q68 L69 K74Q68-S71 WeakPolarHBondContact O-CA 3.3Å; Q68-S71 WeakPolarHBondContact O-CB 3.4Å; Q68-S71 PolarHBondContact O-N 3.2Å; L69-S71 VanDerWaalsContact C-N 3.31Å; L69-S71 PolarHBondContact O-N 3.44Å; S71-K74 PolarHBondContact O-N 3.13Å
72F92.9Very high92.7Very high3 Ų359.8 Ų59.81%0.01329%0.29CS..Hα-helixtrans-62.2-44.4172.4-88.1-88.4000112.1L43 I45 V64 Q68 L69 K74 I75 Q76 L79 F94L43-F72 HydrophobicContact CB-CD2 4.43Å; L43-F72 HydrophobicContact CB-CE1 4.47Å; L43-F72 HydrophobicContact CB-CE2 3.65Å; L43-F72 HydrophobicContact CB-CZ 3.69Å; L43-F72 HydrophobicContact CD1-CD1 4.41Å; L43-F72 HydrophobicContact CD1-CD2 4.09Å; L43-F72 HydrophobicContact CD1-CE1 4.4Å; L43-F72 HydrophobicContact CD1-CE2 4.1Å; L43-F72 HydrophobicContact CD1-CG 4.28Å; L43-F72 HydrophobicContact CD1-CZ 4.26Å; L43-F72 HydrophobicContact CD2-CD2 3.77Å; L43-F72 HydrophobicContact CD2-CE2 3.71Å; L43-F72 HydrophobicContact CG-CD2 4.3Å; L43-F72 HydrophobicContact CG-CE2 4Å; L43-F72 HydrophobicContact CG-CZ 4.37Å; I45-F72 HydrophobicContact CG2-CZ 4.11Å; V64-F72 HydrophobicContact CB-CD2 4.25Å; V64-F72 HydrophobicContact CB-CE2 4.3Å; V64-F72 HydrophobicContact CG1-CD2 3.21Å; V64-F72 HydrophobicContact CG1-CE2 3.4Å; V64-F72 VanDerWaalsContact CG1-CE2 3.4Å; V64-F72 HydrophobicContact CG1-CG 3.93Å; V64-F72 HydrophobicContact CG1-CZ 4.26Å; V64-F72 HydrophobicContact CG2-CD1 4.1Å; V64-F72 HydrophobicContact CG2-CD2 3.98Å; V64-F72 HydrophobicContact CG2-CE1 4.07Å; V64-F72 HydrophobicContact CG2-CE2 3.92Å; V64-F72 HydrophobicContact CG2-CG 4.05Å; V64-F72 HydrophobicContact CG2-CZ 3.96Å; Q68-F72 HydrophobicContact CB-CD2 4.11Å; Q68-F72 HydrophobicContact CB-CE2 4.2Å; Q68-F72 WeakPolarHBondContact O-CD2 3.35Å; Q68-F72 PolarHBondContact O-N 3.06Å; L69-F72 PolarHBondContact O-N 2.75Å; F72-K74 PolarHBondContact O-N 3.02Å; F72-I75 CarbonylContact O-C 3.57Å; F72-I75 VanDerWaalsContact O-CG1 3.29Å; F72-I75 WeakPolarHBondContact O-CG1 3.24Å; F72-I75 PolarHBondContact O-N 2.92Å; F72-Q76 WeakPolarHBondContact O-CA 3.5Å; F72-Q76 VanDerWaalsContact O-CB 3.3Å; F72-Q76 WeakPolarHBondContact O-CB 3.46Å; F72-Q76 PolarHBondContact O-N 3.45Å; F72-L79 HydrophobicContact CD1-CD1 4.05Å; F72-L79 HydrophobicContact CE1-CD1 4.25Å; F72-F94 HydrophobicContact CD1-CD1 4.06Å; F72-F94 AromaticContact CD1-CE1 3.94Å; F72-F94 HydrophobicContact CD1-CE1 3.94Å; F72-F94 HydrophobicContact CE1-CD1 4.31Å; F72-F94 AromaticContact CE1-CE1 3.91Å; F72-F94 HydrophobicContact CE1-CE1 3.91Å
73Q93.2Very high92.5Very high24 Ų2459.8 Ų59.811%0.11229%0.29CS..Hα-helixtrans-54.6-38.5179.4-79.9178.1-13.600112.6L69 I75 Q76 F135L69-Q73 HydrophobicContact CD1-CG 4.48Å; L69-Q73 HydrophobicContact CG-CG 4.5Å; L69-Q73 WeakPolarHBondContact O-CG 3.25Å; L69-Q73 PolarHBondContact O-N 2.99Å; Q73-I75 VanDerWaalsContact C-N 3.25Å; Q73-I75 PolarHBondContact O-N 2.7Å; Q73-Q76 PolarHBondContact O-N 2.86Å; Q73-F135 HydrophobicContact CB-CE1 4.01Å; Q73-F135 HydrophobicContact CB-CE2 4Å; Q73-F135 HydrophobicContact CB-CZ 3.67Å; Q73-F135 HydrophobicContact CG-CD1 4.32Å; Q73-F135 HydrophobicContact CG-CD2 4.07Å; Q73-F135 HydrophobicContact CG-CE1 4.21Å; Q73-F135 HydrophobicContact CG-CE2 3.96Å; Q73-F135 HydrophobicContact CG-CG 4.25Å; Q73-F135 HydrophobicContact CG-CZ 4.02Å; Q73-F135 WeakPolarHBondContact O-CE1 3.48Å; Q73-F135 WeakPolarHBondContact O-CZ 2.72Å
74K92.4Very high92.3Very high175 Ų17560.9 Ų60.976%0.76130%0.296SS*.Hα-helixtrans-61.2-32.5178.4-69.2178.5-179.8-177.90113.5K70 S71 F72K70-K74 PolarHBondContact O-N 2.87Å; S71-K74 PolarHBondContact O-N 3.13Å; F72-K74 PolarHBondContact O-N 3.02Å
75I91.5Very high92.2Very high6 Ų668.9 Ų68.93%0.03133%0.33CS..Hα-helixtrans-108.7-5.8-176.460.6175.5000113L36 Q39 L40 L43 F72 Q73 V77 R78 L79L36-I75 HydrophobicContact CD2-CG2 4.22Å; Q39-I75 HydrophobicContact CB-CD1 4.47Å; Q39-I75 HydrophobicContact CB-CG2 4.17Å; Q39-I75 VanDerWaalsContact CD-CG2 3.49Å; Q39-I75 HydrophobicContact CG-CG2 4.39Å; L40-I75 HydrophobicContact CD2-CD1 3.95Å; L40-I75 HydrophobicContact CG-CD1 4.41Å; L43-I75 HydrophobicContact CD1-CD1 3.43Å; L43-I75 VanDerWaalsContact CD1-CD1 3.43Å; L43-I75 HydrophobicContact CD1-CG1 4.46Å; F72-I75 CarbonylContact O-C 3.57Å; F72-I75 VanDerWaalsContact O-CG1 3.29Å; F72-I75 WeakPolarHBondContact O-CG1 3.24Å; F72-I75 PolarHBondContact O-N 2.92Å; Q73-I75 VanDerWaalsContact C-N 3.25Å; Q73-I75 PolarHBondContact O-N 2.7Å; I75-V77 VanDerWaalsContact C-N 3.32Å; I75-V77 PolarHBondContact O-N 3.28Å; I75-R78 PolarHBondContact O-N 3.49Å; I75-L79 HydrophobicContact CB-CD1 4.49Å; I75-L79 HydrophobicContact CB-CG 4.3Å; I75-L79 HydrophobicContact CD1-CD1 3.45Å; I75-L79 VanDerWaalsContact CD1-CD1 3.45Å; I75-L79 HydrophobicContact CD1-CD2 4.42Å; I75-L79 HydrophobicContact CD1-CG 3.97Å; I75-L79 HydrophobicContact CG1-CD1 3.61Å; I75-L79 HydrophobicContact CG1-CG 3.95Å; I75-L79 PolarHBondContact O-N 3.2Å
76Q91.9Very high92.1Very high5 Ų571.8 Ų71.82%0.02334%0.34CS..Hα-helixtrans-56.2-42.4-168.7179.8168.9-23.700112.5F72 Q73 R78 L79 V80 F94 F135F72-Q76 WeakPolarHBondContact O-CA 3.5Å; F72-Q76 VanDerWaalsContact O-CB 3.3Å; F72-Q76 WeakPolarHBondContact O-CB 3.46Å; F72-Q76 PolarHBondContact O-N 3.45Å; Q73-Q76 PolarHBondContact O-N 2.86Å; Q76-R78 VanDerWaalsContact C-N 3.28Å; Q76-R78 PolarHBondContact O-N 2.98Å; Q76-L79 PolarHBondContact O-N 3.02Å; Q76-V80 HydrophobicContact CG-CG2 3.9Å; Q76-V80 WeakPolarHBondContact O-CB 3.44Å; Q76-V80 WeakPolarHBondContact O-CG2 3.47Å; Q76-V80 PolarHBondContact O-N 3.08Å; Q76-F94 HydrophobicContact CG-CD2 3.96Å; Q76-F135 HydrophobicContact CB-CD1 4.11Å; Q76-F135 HydrophobicContact CB-CE1 3.98Å; Q76-F135 HydrophobicContact CG-CD1 4.02Å; Q76-F135 HydrophobicContact CG-CE1 4.4Å; Q76-F135 PolarHBondContact NE2-O 3.37Å; Q76-F135 VanDerWaalsContact OE1-CD1 3.26Å
77V91.5Very high91.9Very high90 Ų9070.6 Ų70.655%0.54533%0.33SS..Hα-helixtrans-58-42.8179.7-177.60000111.5I75 R81 P136I75-V77 VanDerWaalsContact C-N 3.32Å; I75-V77 PolarHBondContact O-N 3.28Å; V77-R81 PolarHBondContact O-N 3.23Å; V77-P136 HydrophobicContact CG2-CB 3.99Å; V77-P136 HydrophobicContact CG2-CG 4Å
78R90.7Very high91.5Very high163 Ų16369.8 Ų69.862%0.61533%0.326SS*.Hα-helixtrans-73.7-45.3178.2-64.1-176180-167.90.6111.3L36 I75 Q76 V80 R81 E82L36-R78 HydrophobicContact CD1-CB 4.13Å; I75-R78 PolarHBondContact O-N 3.49Å; Q76-R78 VanDerWaalsContact C-N 3.28Å; Q76-R78 PolarHBondContact O-N 2.98Å; R78-V80 PolarHBondContact O-N 3.13Å; R78-R81 PolarHBondContact O-N 3.24Å; R78-E82 PolarHBondContact O-N 2.74Å
79L91.2Very high91.2Very high1 Ų171.1 Ų71.11%0.00535%0.351CS..Hα-helixtrans-60.9-43.8179.3-70.8-171.8000112.8L36 L40 F72 I75 Q76 R81 E82 L83 F94L36-L79 HydrophobicContact CD1-CD2 3.95Å; L40-L79 HydrophobicContact CD1-CD2 4.06Å; L40-L79 HydrophobicContact CD2-CD1 4.04Å; L40-L79 HydrophobicContact CD2-CD2 3.87Å; L40-L79 HydrophobicContact CG-CD2 4.34Å; F72-L79 HydrophobicContact CD1-CD1 4.05Å; F72-L79 HydrophobicContact CE1-CD1 4.25Å; I75-L79 HydrophobicContact CB-CD1 4.49Å; I75-L79 HydrophobicContact CB-CG 4.3Å; I75-L79 HydrophobicContact CD1-CD1 3.45Å; I75-L79 VanDerWaalsContact CD1-CD1 3.45Å; I75-L79 HydrophobicContact CD1-CD2 4.42Å; I75-L79 HydrophobicContact CD1-CG 3.97Å; I75-L79 HydrophobicContact CG1-CD1 3.61Å; I75-L79 HydrophobicContact CG1-CG 3.95Å; I75-L79 PolarHBondContact O-N 3.2Å; Q76-L79 PolarHBondContact O-N 3.02Å; L79-R81 VanDerWaalsContact C-N 3.31Å; L79-R81 PolarHBondContact O-N 3.39Å; L79-E82 PolarHBondContact O-N 3.35Å; L79-L83 WeakPolarHBondContact O-CB 3.29Å; L79-L83 VanDerWaalsContact O-CG 3.26Å; L79-L83 WeakPolarHBondContact O-CG 3.42Å; L79-L83 PolarHBondContact O-N 2.97Å; L79-F94 HydrophobicContact CB-CE2 4.24Å; L79-F94 HydrophobicContact CB-CZ 4.22Å; L79-F94 HydrophobicContact CD1-CZ 4.27Å
80V92.7Very high91.1Very high16 Ų1672.9 Ų72.910%0.09736%0.358CS..Hα-helixtrans-60.2-45.8177.5170.40000109.6Q76 R78 E82 L83 E84 F94Q76-V80 HydrophobicContact CG-CG2 3.9Å; Q76-V80 WeakPolarHBondContact O-CB 3.44Å; Q76-V80 WeakPolarHBondContact O-CG2 3.47Å; Q76-V80 PolarHBondContact O-N 3.08Å; R78-V80 PolarHBondContact O-N 3.13Å; V80-E82 PolarHBondContact O-N 3.25Å; V80-L83 PolarHBondContact O-N 2.7Å; V80-E84 HydrophobicContact CG1-CG 4.13Å; V80-E84 VanDerWaalsContact O-CB 3.25Å; V80-E84 WeakPolarHBondContact O-CB 3.04Å; V80-E84 WeakPolarHBondContact O-CG 3.27Å; V80-E84 PolarHBondContact O-N 3.09Å; V80-F94 HydrophobicContact CG2-CD2 3.84Å; V80-F94 HydrophobicContact CG2-CE2 3.7Å
81R91Very high91.1Very high195 Ų19567 Ų6774%0.73633%0.333SS*.Hα-helixtrans-60.7-46.6178.9-174.6179.6-179178.80.1112.7V77 R78 L79 K85V77-R81 PolarHBondContact O-N 3.23Å; R78-R81 PolarHBondContact O-N 3.24Å; L79-R81 VanDerWaalsContact C-N 3.31Å; L79-R81 PolarHBondContact O-N 3.39Å; R81-K85 WeakPolarHBondContact O-CB 3.42Å; R81-K85 PolarHBondContact O-N 2.88Å
82E90.9Very high91.2Very high82 Ų8264.4 Ų64.438%0.38331%0.314SS..Hα-helixtrans-67-42179.9-70.8-59.9153.500112.3L30 R78 L79 V80 K85 K86L30-E82 HydrophobicContact CD1-CB 3.93Å; L30-E82 HydrophobicContact CD2-CB 3.66Å; L30-E82 HydrophobicContact CD2-CG 4Å; L30-E82 HydrophobicContact CG-CB 4.47Å; R78-E82 PolarHBondContact O-N 2.74Å; L79-E82 PolarHBondContact O-N 3.35Å; V80-E82 PolarHBondContact O-N 3.25Å; E82-K85 WeakPolarHBondContact O-CB 3.36Å; E82-K85 PolarHBondContact O-N 3.2Å; E82-K86 PolarHBondContact O-N 3.06Å; E82-K86 VanDerWaalsContact O-N 3.11Å
83L92Very high91.2Very high1 Ų164.4 Ų64.41%0.00532%0.315CS..Hα-helixtrans-69.7-38.8177.6-67.8172.3000111.8A26 L27 L30 I62 L79 V80 K85 K86 F87 V92 F94A26-L83 HydrophobicContact CB-CD2 4.02Å; L27-L83 HydrophobicContact CD2-CD1 4.16Å; L27-L83 HydrophobicContact CD2-CD2 4.34Å; L30-L83 HydrophobicContact CD1-CD2 3.79Å; L30-L83 HydrophobicContact CD1-CG 4.07Å; I62-L83 HydrophobicContact CD1-CD1 3.85Å; L79-L83 WeakPolarHBondContact O-CB 3.29Å; L79-L83 VanDerWaalsContact O-CG 3.26Å; L79-L83 WeakPolarHBondContact O-CG 3.42Å; L79-L83 PolarHBondContact O-N 2.97Å; V80-L83 PolarHBondContact O-N 2.7Å; L83-K85 VanDerWaalsContact C-N 3.28Å; L83-K85 PolarHBondContact O-N 3.37Å; L83-K86 PolarHBondContact O-N 2.89Å; L83-F87 HydrophobicContact CD2-CE2 4.17Å; L83-F87 WeakPolarHBondContact O-CB 3.25Å; L83-F87 VanDerWaalsContact O-CD2 3.29Å; L83-F87 WeakPolarHBondContact O-CD2 3.47Å; L83-F87 PolarHBondContact O-N 3.26Å; L83-V92 HydrophobicContact CB-CB 4.43Å; L83-V92 HydrophobicContact CB-CG1 4.26Å; L83-V92 HydrophobicContact CB-CG2 3.94Å; L83-V92 HydrophobicContact CD1-CG1 4.02Å; L83-F94 HydrophobicContact CD1-CE2 4.37Å; L83-F94 HydrophobicContact CD1-CZ 3.77Å
84E91.2Very high91.3Very high42 Ų4263.3 Ų63.320%0.19631%0.31CS..Hα-helixtrans-66.4-30.7174.9-73.6-176.9156.400112.1V80 F87 S88 H91 V92 K169V80-E84 HydrophobicContact CG1-CG 4.13Å; V80-E84 VanDerWaalsContact O-CB 3.25Å; V80-E84 WeakPolarHBondContact O-CB 3.04Å; V80-E84 WeakPolarHBondContact O-CG 3.27Å; V80-E84 PolarHBondContact O-N 3.09Å; E84-F87 CarbonylContact O-C 3.41Å; E84-S88 PolarHBondContact O-N 2.98Å; E84-H91 WeakPolarHBondContact OE1-CA 3.35Å; E84-H91 IonicContact OE1-ND1 2.62Å; E84-H91 PolarHBondContact OE1-ND1 2.91Å; E84-V92 HydrophobicContact CG-CB 4.03Å; E84-V92 HydrophobicContact CG-CG2 3.82Å; E84-V92 PolarHBondContact OE1-N 2.8Å; E84-K169 WeakPolarHBondContact OE1-CE 3.36Å; E84-K169 IonicContact OE1-NZ 2.79Å; E84-K169 PolarHBondContact OE1-NZ 2.92Å; E84-K169 IonicContact OE2-NZ 2.7Å; E84-K169 PolarHBondContact OE2-NZ 3.3Å
85K91.4Very high91.5Very high167 Ų16755 Ų5573%0.72627%0.274SS*.Hα-helixtrans-66.1-40.7171.2-172.6-176.8177.6-172.80111.7R81 E82 L83R81-K85 WeakPolarHBondContact O-CB 3.42Å; R81-K85 PolarHBondContact O-N 2.88Å; E82-K85 WeakPolarHBondContact O-CB 3.36Å; E82-K85 PolarHBondContact O-N 3.2Å; L83-K85 VanDerWaalsContact C-N 3.28Å; L83-K85 PolarHBondContact O-N 3.37Å
86K90.8Very high91.7Very high91 Ų9154.9 Ų54.940%0.39627%0.273SS..Hα-helixtrans-74.8-38.9178.8-170.1168.8-177.5175.60112.7A26 E29 E82 L83A26-K86 HydrophobicContact CB-CD 3.73Å; E29-K86 IonicContact OE1-NZ 3.18Å; E29-K86 PolarHBondContact OE1-NZ 2.92Å; E29-K86 IonicContact OE2-NZ 3.09Å; E29-K86 PolarHBondContact OE2-NZ 3.11Å; E82-K86 PolarHBondContact O-N 3.06Å; E82-K86 VanDerWaalsContact O-N 3.11Å; L83-K86 PolarHBondContact O-N 2.89Å
87F89.7Confident91.8Very high42 Ų4258.6 Ų58.618%0.18429%0.291CS..SBendtrans-104.462.2179.1-61-74.1000110.3I23 A26 I60 L83 E84 G89 K90I23-F87 HydrophobicContact CG1-CE2 4.39Å; I23-F87 HydrophobicContact CG1-CZ 4.11Å; A26-F87 HydrophobicContact CB-CE2 3.89Å; A26-F87 HydrophobicContact CB-CZ 4.04Å; I60-F87 HydrophobicContact CD1-CB 3.86Å; I60-F87 HydrophobicContact CD1-CD1 4.12Å; I60-F87 HydrophobicContact CD1-CD2 4.08Å; I60-F87 HydrophobicContact CD1-CG 3.76Å; L83-F87 HydrophobicContact CD2-CE2 4.17Å; L83-F87 WeakPolarHBondContact O-CB 3.25Å; L83-F87 VanDerWaalsContact O-CD2 3.29Å; L83-F87 WeakPolarHBondContact O-CD2 3.47Å; L83-F87 PolarHBondContact O-N 3.26Å; E84-F87 CarbonylContact O-C 3.41Å; F87-G89 PolarHBondContact O-N 2.94Å; F87-K90 HydrophobicContact CB-CB 4.43Å; F87-K90 WeakPolarHBondContact O-CB 3.19Å; F87-K90 PolarHBondContact O-N 2.84Å
88S84.5Confident91.9Very high100 Ų10056.7 Ų56.770%0.69927%0.274SS*.THydrogen-bonded Turntrans-50.7135.8-176.559.60000112.6E84 K90E84-S88 PolarHBondContact O-N 2.98Å; S88-K90 PolarHBondContact O-N 3.26Å
89G86.3Confident91.9Very high69 Ų6957.1 Ų57.171%0.71128%0.275SS*.THydrogen-bonded Turntrans78.61.1-179.700000114.6F87F87-G89 PolarHBondContact O-N 2.94Å
90K91.5Very high92Very high53 Ų5360.7 Ų60.723%0.2329%0.293CS..EExtended strand (participates in β ladder)trans-114.9134.4174.7-50.4-172.4-178-176.40110.5E50 K58 I60 F87 S88E50-K90 WeakPolarHBondContact OE1-CD 3.44Å; E50-K90 WeakPolarHBondContact OE1-CE 3.44Å; E50-K90 IonicContact OE1-NZ 2.7Å; E50-K90 PolarHBondContact OE1-NZ 3.09Å; E50-K90 IonicContact OE2-NZ 2.81Å; E50-K90 PolarHBondContact OE2-NZ 3.39Å; K58-K90 HydrophobicContact CB-CD 4.43Å; K58-K90 HydrophobicContact CB-CG 4.17Å; K58-K90 VanDerWaalsContact O-CA 3.24Å; K58-K90 WeakPolarHBondContact O-CA 3.4Å; I60-K90 HydrophobicContact CD1-CB 4.24Å; I60-K90 HydrophobicContact CD1-CD 3.94Å; I60-K90 HydrophobicContact CG1-CB 4.12Å; I60-K90 HydrophobicContact CG1-CD 4.06Å; F87-K90 HydrophobicContact CB-CB 4.43Å; F87-K90 WeakPolarHBondContact O-CB 3.19Å; F87-K90 PolarHBondContact O-N 2.84Å; S88-K90 PolarHBondContact O-N 3.26Å
91H93.1Very high91.9Very high23 Ų2362 Ų6211%0.10630%0.3CS..EExtended strand (participates in β ladder)trans-83136.9172.3-71.6-53.2000110.7K58 A59 I60 E84 H168 T172K58-H91 PolarHBondContact O-N 2.97Å; A59-H91 CarbonylContact C-O 3.54Å; A59-H91 VanDerWaalsContact CA-O 3.22Å; A59-H91 WeakPolarHBondContact CA-O 3.44Å; A59-H91 HydrophobicContact CB-CB 4.36Å; I60-H91 PolarHBondContact N-O 3.3Å; E84-H91 WeakPolarHBondContact OE1-CA 3.35Å; E84-H91 IonicContact OE1-ND1 2.62Å; E84-H91 PolarHBondContact OE1-ND1 2.91Å; H91-H168 AromaticContact CE1-CD2 3.81Å; H91-T172 HydrophobicContact CB-CG2 3.84Å; H91-T172 PolarHBondContact CD2-OG1 2.87Å
92V94Very high91.7Very high4 Ų457.9 Ų57.92%0.02430%0.298CS..EExtended strand (participates in β ladder)trans-107.9127.1179.6-178.60000109.7I60 I62 L83 E84 F94I60-V92 HydrophobicContact CB-CG2 4.32Å; I60-V92 HydrophobicContact CD1-CG2 4.46Å; I62-V92 HydrophobicContact CD1-CG1 3.78Å; I62-V92 HydrophobicContact CG1-CG1 4.38Å; L83-V92 HydrophobicContact CB-CB 4.43Å; L83-V92 HydrophobicContact CB-CG1 4.26Å; L83-V92 HydrophobicContact CB-CG2 3.94Å; L83-V92 HydrophobicContact CD1-CG1 4.02Å; E84-V92 HydrophobicContact CG-CB 4.03Å; E84-V92 HydrophobicContact CG-CG2 3.82Å; E84-V92 PolarHBondContact OE1-N 2.8Å; V92-F94 HydrophobicContact CG1-CE2 4.19Å
93V93.9Very high91.4Very high4 Ų461.2 Ų61.22%0.02431%0.311CS..EExtended strand (participates in β ladder)trans-130.7137.3179.1-168.20000110.4I60 I62 I95 L133 F173I60-V93 PolarHBondContact O-N 3.09Å; I62-V93 PolarHBondContact N-O 3.45Å; V93-I95 HydrophobicContact CG1-CG1 4.45Å; V93-L133 HydrophobicContact CB-CD2 4.5Å; V93-L133 HydrophobicContact CG1-CD2 3.56Å; V93-F173 HydrophobicContact CG2-CD1 4.36Å; V93-F173 HydrophobicContact CG2-CE1 4.06Å
94F95.2Very high91Very high0 Ų063.8 Ų63.80%033%0.328CS..EExtended strand (participates in β ladder)trans-101.4133.5177.6-70.3-87.1000110.4I62 V64 F72 Q76 L79 V80 L83 V92I62-F94 HydrophobicContact CB-CD1 3.8Å; I62-F94 HydrophobicContact CB-CE1 3.89Å; I62-F94 HydrophobicContact CD1-CD1 4.49Å; I62-F94 HydrophobicContact CD1-CE1 3.79Å; I62-F94 HydrophobicContact CD1-CZ 3.92Å; I62-F94 HydrophobicContact CG1-CE1 4.42Å; I62-F94 HydrophobicContact CG2-CD1 3.86Å; I62-F94 HydrophobicContact CG2-CE1 3.76Å; I62-F94 WeakPolarHBondContact O-CA 3.47Å; V64-F94 HydrophobicContact CG2-CD1 3.81Å; F72-F94 HydrophobicContact CD1-CD1 4.06Å; F72-F94 AromaticContact CD1-CE1 3.94Å; F72-F94 HydrophobicContact CD1-CE1 3.94Å; F72-F94 HydrophobicContact CE1-CD1 4.31Å; F72-F94 AromaticContact CE1-CE1 3.91Å; F72-F94 HydrophobicContact CE1-CE1 3.91Å; Q76-F94 HydrophobicContact CG-CD2 3.96Å; L79-F94 HydrophobicContact CB-CE2 4.24Å; L79-F94 HydrophobicContact CB-CZ 4.22Å; L79-F94 HydrophobicContact CD1-CZ 4.27Å; V80-F94 HydrophobicContact CG2-CD2 3.84Å; V80-F94 HydrophobicContact CG2-CE2 3.7Å; L83-F94 HydrophobicContact CD1-CE2 4.37Å; L83-F94 HydrophobicContact CD1-CZ 3.77Å; V92-F94 HydrophobicContact CG1-CE2 4.19Å
95I95.7Very high90.5Very high2 Ų265.8 Ų65.81%0.0134%0.344CS..EExtended strand (participates in β ladder)trans-136.8135178.2-55.5177.8000108.5I61 I62 F63 V64 V93 I129 L133 V176 L180I61-I95 HydrophobicContact CG2-CB 4.46Å; I61-I95 HydrophobicContact CG2-CD1 3.6Å; I61-I95 HydrophobicContact CG2-CG1 4.1Å; I62-I95 PolarHBondContact O-N 3.29Å; F63-I95 CarbonylContact C-O 3.58Å; F63-I95 VanDerWaalsContact CA-O 3.24Å; F63-I95 WeakPolarHBondContact CA-O 3.35Å; F63-I95 HydrophobicContact CD1-CB 4.44Å; V64-I95 PolarHBondContact N-O 3.36Å; V93-I95 HydrophobicContact CG1-CG1 4.45Å; I95-I129 HydrophobicContact CD1-CG2 4.5Å; I95-I129 HydrophobicContact CG2-CG1 4.16Å; I95-I129 HydrophobicContact CG2-CG2 4.36Å; I95-L133 HydrophobicContact CD1-CD2 3.43Å; I95-L133 VanDerWaalsContact CD1-CD2 3.43Å; I95-L133 HydrophobicContact CD1-CG 4.17Å; I95-L133 HydrophobicContact CG1-CD2 3.87Å; I95-L133 HydrophobicContact CG1-CG 4.47Å; I95-V176 HydrophobicContact CD1-CG1 4.09Å; I95-L180 HydrophobicContact CD1-CD1 3.25Å
96A95.7Very high89.9Confident2 Ų270.4 Ų70.42%0.01736%0.356CS..EExtended strand (participates in β ladder)trans-70.4137.8172.300000112V64 V66 L69 R98 D132V64-A96 CarbonylContact O-C 3.54Å; V64-A96 VanDerWaalsContact O-CA 3.26Å; V64-A96 WeakPolarHBondContact O-CA 3.45Å; V66-A96 HydrophobicContact CG2-CB 4.07Å; L69-A96 HydrophobicContact CB-CB 4.2Å; L69-A96 HydrophobicContact CD1-CB 4.09Å; L69-A96 HydrophobicContact CD2-CB 3.94Å; L69-A96 HydrophobicContact CG-CB 4.28Å; A96-R98 VanDerWaalsContact C-N 3.27Å; A96-R98 HydrophobicContact CB-CG 4.46Å; A96-R98 PolarHBondContact O-N 3.18Å; A96-R98 PolarHBondContact O-NH1 3.24Å; A96-D132 PolarHBondContact N-OD2 2.78Å
97Q93.8Very high89.3Confident84 Ų8475.5 Ų75.539%0.39338%0.378SS..  trans-69.480.5175.9-172.365.36.400110.7T46 F63 V64 V66T46-Q97 HydrophobicContact CG2-CB 4.22Å; T46-Q97 HydrophobicContact CG2-CG 4.47Å; T46-Q97 WeakPolarHBondContact OG1-CB 3.34Å; F63-Q97 HydrophobicContact CB-CB 4.35Å; F63-Q97 VanDerWaalsContact CG-OE1 3.27Å; V64-Q97 PolarHBondContact O-N 3.48Å; V66-Q97 WeakPolarHBondContact CG2-O 3.37Å
98R94Very high88.6Confident49 Ų4975.3 Ų75.319%0.18538%0.383CS..  trans-87.6141.8177.2-64.9179.1-173.482.7-5.7109.8V66 A96 V125 A128 D132V66-R98 HydrophobicContact CG2-CG 4.09Å; A96-R98 VanDerWaalsContact C-N 3.27Å; A96-R98 HydrophobicContact CB-CG 4.46Å; A96-R98 PolarHBondContact O-N 3.18Å; A96-R98 PolarHBondContact O-NH1 3.24Å; R98-V125 HydrophobicContact CB-CG1 3.74Å; R98-V125 HydrophobicContact CB-CG2 4.22Å; R98-A128 VanDerWaalsContact NE-CB 3.28Å; R98-A128 PolarHBondContact NH2-O 2.76Å; R98-D132 IonicContact CZ-OD1 3.3Å; R98-D132 IonicContact CZ-OD2 3.85Å; R98-D132 IonicContact NH1-OD1 3.72Å; R98-D132 IonicContact NH1-OD2 3.96Å; R98-D132 PolarHBondContact NH1-OD2 2.79Å; R98-D132 IonicContact NH2-OD1 3.83Å; R98-D132 PolarHBondContact NH2-OD1 3.07Å; R98-D132 IonicContact NH2-OD2 2.86Å; R98-D132 PolarHBondContact NH2-OD2 2.91Å
99R91.9Very high87.9Confident173 Ų17382.8 Ų82.865%0.65340%0.395SS*.  trans-110.7131.9171.6151.4-173.3-170.7-168.84.8110L101 R120R99-L101 HydrophobicContact CG-CD2 4.38Å; R99-R120 WeakPolarHBondContact O-CD 3.46Å; R99-R120 PolarHBondContact O-NH1 3.3Å
100I93Very high87Confident75 Ų7584 Ų8439%0.38539%0.39SS..PPolyproline II helixtrans-90132.7175.6-62.9156.2000108.4L122 V125I100-L122 HydrophobicContact CD1-CD1 3.82Å; I100-L122 HydrophobicContact CG2-CB 4.39Å; I100-L122 HydrophobicContact CG2-CD1 4.33Å; I100-V125 HydrophobicContact CD1-CB 4.39Å; I100-V125 HydrophobicContact CD1-CG1 4.04Å; I100-V125 HydrophobicContact CG1-CB 3.82Å; I100-V125 HydrophobicContact CG1-CG1 3.76Å; I100-V125 HydrophobicContact CG1-CG2 3.85Å
101L89.9Confident85.9Confident45 Ų4590.6 Ų90.624%0.23642%0.418CS..PPolyproline II helixtrans-102.6132.1174.2-67.1177.6000110.4R99 R116 R120R99-L101 HydrophobicContact CG-CD2 4.38Å; L101-R116 PolarHBondContact O-NH1 3.09Å; L101-R120 HydrophobicContact CB-CB 4.15Å; L101-R120 HydrophobicContact CD1-CB 3.87Å; L101-R120 HydrophobicContact CD1-CG 4.03Å; L101-R120 HydrophobicContact CG-CB 3.92Å; L101-R120 HydrophobicContact CG-CG 4.35Å; L101-R120 PolarHBondContact N-O 3.37Å
102P87.2Confident84.7Confident108 Ų10893.8 Ų93.870%0.70144%0.436SS*.PPolyproline II helixtrans-60.2152.9179.226.2-33.9000110.7
103K85.5Confident83.9Confident151 Ų151104.2 Ų104.266%0.65748%0.481SS*.PPolyproline II helixtrans-64.8128175.7-172178.4178.4-178.40107.4T105 R116K103-T105 PolarHBondContact O-N 2.91Å; K103-R116 VanDerWaalsContact CA-NH1 3.28Å; K103-R116 VanDerWaalsContact N-NH1 3.16Å
104P82.1Confident83.4Confident55 Ų55111.4 Ų111.436%0.35751%0.514SS..PPolyproline II helixtrans-61.3123.517325.4-32.1000108.2
105T81.8Confident82.8Confident85 Ų85120.9 Ų120.952%0.52156%0.556SS.*  trans-115.7164.3175.863.30000108.6K103 K107 S108K103-T105 PolarHBondContact O-N 2.91Å; T105-K107 PolarHBondContact O-N 2.88Å; T105-S108 WeakPolarHBondContact O-CB 3.06Å; T105-S108 PolarHBondContact O-N 2.83Å; T105-S108 PolarHBondContact O-OG 3.3Å
106R79.2Confident82.5Confident263 Ų263124.5 Ų124.599%0.99257%0.569SS**THydrogen-bonded Turntrans-55.4-25.2177.8-69.2-176.4-176.9167.50.6113.4
107K78.2Confident82.3Confident198 Ų198127.2 Ų127.286%0.86159%0.587SS**THydrogen-bonded Turntrans-92.5-0.2179.5-60.9-174.5179.9-176.40114T105 R109T105-K107 PolarHBondContact O-N 2.88Å; K107-R109 PolarHBondContact O-N 2.85Å
108S73.3Confident82.3Confident39 Ų39133.6 Ų133.627%0.27361%0.607SS.*  trans-65.6122.4-178.864.20000110.1T105 T110T105-S108 WeakPolarHBondContact O-CB 3.06Å; T105-S108 PolarHBondContact O-N 2.83Å; T105-S108 PolarHBondContact O-OG 3.3Å; S108-T110 CarbonylContact O-C 3.54Å; S108-T110 PolarHBondContact O-N 2.96Å; S108-T110 VanDerWaalsContact O-N 3.09Å; S108-T110 PolarHBondContact OG-O 3.26Å; S108-T110 VanDerWaalsContact OG-O 3.14Å
109R69.8Low82.3Confident256 Ų256135.2 Ų135.297%0.96663%0.626SS**SBendtrans-48.7-39.6-179.9-76.8-174.9177.3179-1112.6K107K107-R109 PolarHBondContact O-N 2.85Å
110T68.7Low82.4Confident96 Ų96131 Ų13159%0.58961%0.61SS**SBendtrans-94.1106.9175-33.70000108.8S108 N112S108-T110 CarbonylContact O-C 3.54Å; S108-T110 PolarHBondContact O-N 2.96Å; S108-T110 VanDerWaalsContact O-N 3.09Å; S108-T110 PolarHBondContact OG-O 3.26Å; S108-T110 VanDerWaalsContact OG-O 3.14Å; T110-N112 PolarHBondContact O-N 2.82Å
111K67.7Low82.5Confident191 Ų191128.7 Ų128.783%0.8360%0.599SS**  trans-66.988.4164.4-72.5-175.4-177.2177.60107.6K113K111-K113 PolarHBondContact O-N 2.81Å
112N68.9Low82.6Confident90 Ų90130.6 Ų130.648%0.48161%0.609SS.*  trans-62.7112.5175.4-72.7-24.4000108.2T110 Q114T110-N112 PolarHBondContact O-N 2.82Å; N112-Q114 PolarHBondContact O-N 2.85Å
113K76.9Confident82.9Confident223 Ų223129.7 Ų129.797%0.9760%0.602SS**SBendtrans-58.5-31.7176-67.7-177.4178.8-179.70111.6K111K111-K113 PolarHBondContact O-N 2.81Å
114Q82.3Confident83.4Confident155 Ų155123.7 Ų123.772%0.72458%0.58SS**SBendtrans-106147.4-179.463.5-176-000112.4N112N112-Q114 PolarHBondContact O-N 2.85Å
115K84Confident84.1Confident199 Ų199121.1 Ų121.187%0.86556%0.564SS**PPolyproline II helixtrans-60.2141.3170.7-68.8179.8-178.6174.60109.2
116R88.8Confident84.7Confident77 Ų77117.6 Ų117.629%0.29154%0.541SS..PPolyproline II helixtrans-59.1139.4175.267.1178.4177.4174.1-0110.1L101 K103L101-R116 PolarHBondContact O-NH1 3.09Å; K103-R116 VanDerWaalsContact CA-NH1 3.28Å; K103-R116 VanDerWaalsContact N-NH1 3.16Å
117P92.1Very high85.4Confident60 Ų60107.7 Ų107.739%0.3951%0.508SS..PPolyproline II helixtrans-60.8143.6176.4-23.633.3000112.1S119 R120P117-S119 VanDerWaalsContact C-N 3.28Å; P117-S119 PolarHBondContact O-N 3.41Å; P117-R120 HydrophobicContact CB-CG 4.18Å; P117-R120 HydrophobicContact CG-CG 4.38Å; P117-R120 PolarHBondContact O-N 2.97Å
118R92.8Very high86.3Confident217 Ų21799 Ų9982%0.81947%0.474SS*.G310 helixtrans-58.3-40.7178.9-173.4179.5179.1-173.7-0.7112R120 T121 A124R118-R120 PolarHBondContact O-N 3.17Å; R118-T121 WeakPolarHBondContact O-CB 3.22Å; R118-T121 WeakPolarHBondContact O-CG2 3.32Å; R118-T121 PolarHBondContact O-N 2.89Å; R118-T121 PolarHBondContact O-OG1 3.3Å; R118-A124 WeakPolarHBondContact O-CB 3.42Å
119S94.2Very high87.3Confident83 Ų8398 Ų9858%0.5847%0.465SS*.G310 helixtrans-61-14.9177.557.60000114.4P117 V125P117-S119 VanDerWaalsContact C-N 3.28Å; P117-S119 PolarHBondContact O-N 3.41Å; S119-V125 VanDerWaalsContact O-CG2 3.29Å; S119-V125 WeakPolarHBondContact O-CG2 3.49Å
120R94.1Very high88.5Confident86 Ų8685.9 Ų85.933%0.32542%0.419SS..G310 helixtrans-1059.6178.9-60.4-69.6-172.1172.71.1112.8R99 L101 P117 R118R99-R120 WeakPolarHBondContact O-CD 3.46Å; R99-R120 PolarHBondContact O-NH1 3.3Å; L101-R120 HydrophobicContact CB-CB 4.15Å; L101-R120 HydrophobicContact CD1-CB 3.87Å; L101-R120 HydrophobicContact CD1-CG 4.03Å; L101-R120 HydrophobicContact CG-CB 3.92Å; L101-R120 HydrophobicContact CG-CG 4.35Å; L101-R120 PolarHBondContact N-O 3.37Å; P117-R120 HydrophobicContact CB-CG 4.18Å; P117-R120 HydrophobicContact CG-CG 4.38Å; P117-R120 PolarHBondContact O-N 2.97Å; R118-R120 PolarHBondContact O-N 3.17Å
121T94.9Very high89.8Confident26 Ų2687 Ų8716%0.1642%0.418CS..SBendtrans-84.1151.3175.465.10000111.2R118 T123 A124 V125R118-T121 WeakPolarHBondContact O-CB 3.22Å; R118-T121 WeakPolarHBondContact O-CG2 3.32Å; R118-T121 PolarHBondContact O-N 2.89Å; R118-T121 PolarHBondContact O-OG1 3.3Å; T121-T123 VanDerWaalsContact C-N 3.33Å; T121-T123 PolarHBondContact O-N 2.9Å; T121-A124 PolarHBondContact O-N 3.25Å; T121-A124 VanDerWaalsContact OG1-CB 3.28Å; T121-A124 WeakPolarHBondContact OG1-CB 3.36Å; T121-A124 PolarHBondContact OG1-N 2.89Å; T121-V125 WeakPolarHBondContact O-CB 3.39Å; T121-V125 VanDerWaalsContact O-CG2 3.3Å; T121-V125 WeakPolarHBondContact O-CG2 3.2Å; T121-V125 PolarHBondContact O-N 3.5Å
122L93.2Very high91.1Very high84 Ų8478.1 Ų78.144%0.4438%0.379SS..Hα-helixtrans-52.6-50.5179-174.473.9000111.7I100 V125 H126I100-L122 HydrophobicContact CD1-CD1 3.82Å; I100-L122 HydrophobicContact CG2-CB 4.39Å; I100-L122 HydrophobicContact CG2-CD1 4.33Å; L122-V125 PolarHBondContact O-N 3.12Å; L122-H126 WeakPolarHBondContact CD1-NE2 3.44Å; L122-H126 WeakPolarHBondContact O-CB 3.46Å; L122-H126 PolarHBondContact O-CD2 3.09Å; L122-H126 VanDerWaalsContact O-CG 3.29Å; L122-H126 PolarHBondContact O-N 2.86Å
123T92.9Very high92.2Very high89 Ų8973.9 Ų73.955%0.54636%0.357SS..Hα-helixtrans-60.7-52.3-178.3-47.30000111.5T121 V125 H126 D127T121-T123 VanDerWaalsContact C-N 3.33Å; T121-T123 PolarHBondContact O-N 2.9Å; T123-V125 VanDerWaalsContact C-N 3.32Å; T123-V125 PolarHBondContact O-N 3.49Å; T123-H126 PolarHBondContact O-N 2.63Å; T123-D127 PolarHBondContact O-N 2.86Å
124A95.2Very high93Very high25 Ų2563.2 Ų63.221%0.20731%0.31CS..Hα-helixtrans-63.6-37.4-178.400000112.7R118 T121 A128R118-A124 WeakPolarHBondContact O-CB 3.42Å; T121-A124 PolarHBondContact O-N 3.25Å; T121-A124 VanDerWaalsContact OG1-CB 3.28Å; T121-A124 WeakPolarHBondContact OG1-CB 3.36Å; T121-A124 PolarHBondContact OG1-N 2.89Å; A124-A128 VanDerWaalsContact O-CB 3.28Å; A124-A128 WeakPolarHBondContact O-CB 3.43Å; A124-A128 PolarHBondContact O-N 2.91Å
125V96.3Very high93.5Very high2 Ų258.7 Ų58.71%0.01229%0.288CS..Hα-helixtrans-67.4-42.1176.7171.50000110.8R98 I100 S119 T121 L122 T123 A128 I129R98-V125 HydrophobicContact CB-CG1 3.74Å; R98-V125 HydrophobicContact CB-CG2 4.22Å; I100-V125 HydrophobicContact CD1-CB 4.39Å; I100-V125 HydrophobicContact CD1-CG1 4.04Å; I100-V125 HydrophobicContact CG1-CB 3.82Å; I100-V125 HydrophobicContact CG1-CG1 3.76Å; I100-V125 HydrophobicContact CG1-CG2 3.85Å; S119-V125 VanDerWaalsContact O-CG2 3.29Å; S119-V125 WeakPolarHBondContact O-CG2 3.49Å; T121-V125 WeakPolarHBondContact O-CB 3.39Å; T121-V125 VanDerWaalsContact O-CG2 3.3Å; T121-V125 WeakPolarHBondContact O-CG2 3.2Å; T121-V125 PolarHBondContact O-N 3.5Å; L122-V125 PolarHBondContact O-N 3.12Å; T123-V125 VanDerWaalsContact C-N 3.32Å; T123-V125 PolarHBondContact O-N 3.49Å; V125-A128 PolarHBondContact O-N 2.85Å; V125-I129 HydrophobicContact CG1-CD1 3.76Å; V125-I129 HydrophobicContact CG1-CG1 4.34Å; V125-I129 WeakPolarHBondContact O-CG1 3.31Å; V125-I129 PolarHBondContact O-N 3.1Å
126H95.5Very high93.8Very high10 Ų1051.7 Ų51.75%0.04626%0.263CS..Hα-helixtrans-64.6-41.8177.8-77.2-141.4000111.7L122 T123 I129 L130 T181 K183L122-H126 WeakPolarHBondContact CD1-NE2 3.44Å; L122-H126 WeakPolarHBondContact O-CB 3.46Å; L122-H126 PolarHBondContact O-CD2 3.09Å; L122-H126 VanDerWaalsContact O-CG 3.29Å; L122-H126 PolarHBondContact O-N 2.86Å; T123-H126 PolarHBondContact O-N 2.63Å; H126-I129 PolarHBondContact O-N 2.85Å; H126-L130 PolarHBondContact O-N 3.49Å; H126-L130 VanDerWaalsContact O-N 3.1Å; H126-T181 VanDerWaalsContact CE1-CB 3.45Å; H126-T181 WeakPolarHBondContact CE1-CB 3.24Å; H126-K183 WeakPolarHBondContact ND1-CE 3.36Å; H126-K183 PolarHBondContact ND1-NZ 3.18Å; H126-K183 VanDerWaalsContact ND1-NZ 3.12Å
127D94.7Very high94Very high55 Ų5548.3 Ų48.329%0.29425%0.251SS..Hα-helixtrans-63-45.7176.9-62.2-19.5000110.7T123 I129 L130 E131 K142T123-D127 PolarHBondContact O-N 2.86Å; D127-I129 VanDerWaalsContact C-N 3.33Å; D127-I129 PolarHBondContact O-N 3.14Å; D127-L130 WeakPolarHBondContact O-CB 3.28Å; D127-L130 PolarHBondContact O-N 3.36Å; D127-L130 VanDerWaalsContact O-N 3.13Å; D127-E131 PolarHBondContact O-N 2.77Å; D127-E131 VanDerWaalsContact O-N 3.12Å; D127-K142 IonicContact OD1-NZ 3.44Å; D127-K142 PolarHBondContact OD1-NZ 3.07Å
128A95.6Very high93.9Very high17 Ų1752.5 Ų52.514%0.1427%0.266CS..Hα-helixtrans-68.8-28.717800000113.6R98 A124 V125 D132R98-A128 VanDerWaalsContact NE-CB 3.28Å; R98-A128 PolarHBondContact NH2-O 2.76Å; A124-A128 VanDerWaalsContact O-CB 3.28Å; A124-A128 WeakPolarHBondContact O-CB 3.43Å; A124-A128 PolarHBondContact O-N 2.91Å; V125-A128 PolarHBondContact O-N 2.85Å; A128-D132 PolarHBondContact O-N 2.99Å; A128-D132 VanDerWaalsContact O-N 3.14Å
129I95.8Very high93.9Very high18 Ų1844.6 Ų44.69%0.09224%0.239CC..Hα-helixtrans-66.6-40.5170.9-71164.8000110I95 V125 H126 D127 E131 D132 L133 Y177 L180 T181I95-I129 HydrophobicContact CD1-CG2 4.5Å; I95-I129 HydrophobicContact CG2-CG1 4.16Å; I95-I129 HydrophobicContact CG2-CG2 4.36Å; V125-I129 HydrophobicContact CG1-CD1 3.76Å; V125-I129 HydrophobicContact CG1-CG1 4.34Å; V125-I129 WeakPolarHBondContact O-CG1 3.31Å; V125-I129 PolarHBondContact O-N 3.1Å; H126-I129 PolarHBondContact O-N 2.85Å; D127-I129 VanDerWaalsContact C-N 3.33Å; D127-I129 PolarHBondContact O-N 3.14Å; I129-E131 VanDerWaalsContact C-N 3.34Å; I129-E131 PolarHBondContact O-N 2.86Å; I129-D132 PolarHBondContact O-N 2.94Å; I129-L133 HydrophobicContact CG2-CD1 3.92Å; I129-L133 HydrophobicContact CG2-CG 4.17Å; I129-L133 WeakPolarHBondContact O-CB 3.24Å; I129-L133 WeakPolarHBondContact O-CG 3.44Å; I129-L133 PolarHBondContact O-N 2.76Å; I129-Y177 HydrophobicContact CB-CE2 4.49Å; I129-Y177 HydrophobicContact CG2-CD2 3.97Å; I129-Y177 HydrophobicContact CG2-CE2 4.23Å; I129-L180 HydrophobicContact CG2-CD1 4.33Å; I129-T181 HydrophobicContact CD1-CG2 4.36Å
130L94.3Very high93.9Very high0 Ų045.3 Ų45.30%024%0.24CC..Hα-helixtrans-61.2-43.9176.2-72.2170.4000112H126 D127 L133 V134 I139 Y177 V185 F187H126-L130 PolarHBondContact O-N 3.49Å; H126-L130 VanDerWaalsContact O-N 3.1Å; D127-L130 WeakPolarHBondContact O-CB 3.28Å; D127-L130 PolarHBondContact O-N 3.36Å; D127-L130 VanDerWaalsContact O-N 3.13Å; L130-L133 PolarHBondContact O-N 3.3Å; L130-V134 WeakPolarHBondContact O-CG2 3.27Å; L130-V134 PolarHBondContact O-N 2.87Å; L130-I139 HydrophobicContact CB-CD1 4.02Å; L130-Y177 HydrophobicContact CD1-CE2 4.15Å; L130-Y177 HydrophobicContact CD2-CD1 4.07Å; L130-Y177 HydrophobicContact CD2-CD2 3.38Å; L130-Y177 HydrophobicContact CD2-CE1 4.03Å; L130-Y177 HydrophobicContact CD2-CE2 3.4Å; L130-Y177 VanDerWaalsContact CD2-CE2 3.4Å; L130-Y177 HydrophobicContact CD2-CG 3.69Å; L130-Y177 HydrophobicContact CG-CD2 3.86Å; L130-Y177 HydrophobicContact CG-CE1 4.46Å; L130-Y177 HydrophobicContact CG-CE2 3.37Å; L130-V185 HydrophobicContact CD2-CG1 4.39Å; L130-V185 HydrophobicContact CD2-CG2 3.99Å; L130-F187 HydrophobicContact CD2-CZ 4.23Å
131E94.6Very high93.8Very high120 Ų12042.3 Ų42.356%0.56124%0.236SC*.Hα-helixtrans-60.4-44.8177.3-70170-164.900111.7D127 I129 L133 F135 I139D127-E131 PolarHBondContact O-N 2.77Å; D127-E131 VanDerWaalsContact O-N 3.12Å; I129-E131 VanDerWaalsContact C-N 3.34Å; I129-E131 PolarHBondContact O-N 2.86Å; E131-L133 PolarHBondContact O-N 3.35Å; E131-F135 PolarHBondContact O-N 3.36Å; E131-I139 HydrophobicContact CG-CD1 4.37Å
132D95.1Very high93.7Very high4 Ų445 Ų452%0.02125%0.245CC..Hα-helixtrans-64-41.4177.6-72.17.5000112.5L69 A96 R98 A128 I129 V134L69-D132 WeakPolarHBondContact CD2-OD1 3.38Å; A96-D132 PolarHBondContact N-OD2 2.78Å; R98-D132 IonicContact CZ-OD1 3.3Å; R98-D132 IonicContact CZ-OD2 3.85Å; R98-D132 IonicContact NH1-OD1 3.72Å; R98-D132 IonicContact NH1-OD2 3.96Å; R98-D132 PolarHBondContact NH1-OD2 2.79Å; R98-D132 IonicContact NH2-OD1 3.83Å; R98-D132 PolarHBondContact NH2-OD1 3.07Å; R98-D132 IonicContact NH2-OD2 2.86Å; R98-D132 PolarHBondContact NH2-OD2 2.91Å; A128-D132 PolarHBondContact O-N 2.99Å; A128-D132 VanDerWaalsContact O-N 3.14Å; I129-D132 PolarHBondContact O-N 2.94Å; D132-V134 VanDerWaalsContact C-N 3.28Å; D132-V134 PolarHBondContact O-N 2.82Å
133L93.7Very high93.8Very high1 Ų147.4 Ų47.41%0.00525%0.248CC..Hα-helixtrans-61.9-36.9-176.8-77.4174.7000112.6V93 I95 I129 L130 E131 F173 V176 Y177V93-L133 HydrophobicContact CB-CD2 4.5Å; V93-L133 HydrophobicContact CG1-CD2 3.56Å; I95-L133 HydrophobicContact CD1-CD2 3.43Å; I95-L133 VanDerWaalsContact CD1-CD2 3.43Å; I95-L133 HydrophobicContact CD1-CG 4.17Å; I95-L133 HydrophobicContact CG1-CD2 3.87Å; I95-L133 HydrophobicContact CG1-CG 4.47Å; I129-L133 HydrophobicContact CG2-CD1 3.92Å; I129-L133 HydrophobicContact CG2-CG 4.17Å; I129-L133 WeakPolarHBondContact O-CB 3.24Å; I129-L133 WeakPolarHBondContact O-CG 3.44Å; I129-L133 PolarHBondContact O-N 2.76Å; L130-L133 PolarHBondContact O-N 3.3Å; E131-L133 PolarHBondContact O-N 3.35Å; L133-F173 VanDerWaalsContact O-CE1 3.25Å; L133-F173 WeakPolarHBondContact O-CE1 2.99Å; L133-F173 VanDerWaalsContact O-CZ 3.29Å; L133-F173 WeakPolarHBondContact O-CZ 3.18Å; L133-V176 HydrophobicContact CD2-CB 4.07Å; L133-V176 HydrophobicContact CD2-CG1 3.5Å; L133-Y177 HydrophobicContact CD1-CD2 3.79Å; L133-Y177 HydrophobicContact CD1-CG 4.21Å
134V93Very high93.8Very high0 Ų047.5 Ų47.50%025%0.245CC..Hα-helixtrans-94.3-11.4-171.6-172.20000113L130 D132 S137 L158 F173 F187L130-V134 WeakPolarHBondContact O-CG2 3.27Å; L130-V134 PolarHBondContact O-N 2.87Å; D132-V134 VanDerWaalsContact C-N 3.28Å; D132-V134 PolarHBondContact O-N 2.82Å; V134-S137 CarbonylContact C-O 3.47Å; V134-S137 WeakPolarHBondContact O-CA 3.46Å; V134-S137 WeakPolarHBondContact O-CB 3.31Å; V134-S137 PolarHBondContact O-N 2.93Å; V134-L158 HydrophobicContact CB-CD2 4.26Å; V134-L158 HydrophobicContact CG1-CD1 3.57Å; V134-L158 HydrophobicContact CG1-CD2 3.38Å; V134-L158 HydrophobicContact CG1-CG 4.05Å; V134-L158 HydrophobicContact CG2-CD2 4.17Å; V134-F173 HydrophobicContact CG1-CE2 4.36Å; V134-F173 HydrophobicContact CG2-CD2 4.17Å; V134-F173 HydrophobicContact CG2-CE2 4.48Å; V134-F187 HydrophobicContact CG2-CD1 4.15Å; V134-F187 HydrophobicContact CG2-CE1 3.45Å; V134-F187 VanDerWaalsContact CG2-CE1 3.45Å; V134-F187 HydrophobicContact CG2-CZ 4.06Å
135F92.7Very high93.8Very high59 Ų5953.4 Ų53.426%0.25926%0.262SS..THydrogen-bonded Turntrans-53.9130176.7-169.9-82.2000111.2Q73 Q76 E131Q73-F135 HydrophobicContact CB-CE1 4.01Å; Q73-F135 HydrophobicContact CB-CE2 4Å; Q73-F135 HydrophobicContact CB-CZ 3.67Å; Q73-F135 HydrophobicContact CG-CD1 4.32Å; Q73-F135 HydrophobicContact CG-CD2 4.07Å; Q73-F135 HydrophobicContact CG-CE1 4.21Å; Q73-F135 HydrophobicContact CG-CE2 3.96Å; Q73-F135 HydrophobicContact CG-CG 4.25Å; Q73-F135 HydrophobicContact CG-CZ 4.02Å; Q73-F135 WeakPolarHBondContact O-CE1 3.48Å; Q73-F135 WeakPolarHBondContact O-CZ 2.72Å; Q76-F135 HydrophobicContact CB-CD1 4.11Å; Q76-F135 HydrophobicContact CB-CE1 3.98Å; Q76-F135 HydrophobicContact CG-CD1 4.02Å; Q76-F135 HydrophobicContact CG-CE1 4.4Å; Q76-F135 PolarHBondContact NE2-O 3.37Å; Q76-F135 VanDerWaalsContact OE1-CD1 3.26Å; E131-F135 PolarHBondContact O-N 3.36Å
136P91.1Very high93.7Very high53 Ų5357.6 Ų57.634%0.34429%0.287SS..THydrogen-bonded Turncis-90-2.418.537.1-39000115.7V77V77-P136 HydrophobicContact CG2-CB 3.99Å; V77-P136 HydrophobicContact CG2-CG 4Å
137S91.7Very high93.5Very high5 Ų562 Ų624%0.03531%0.306CS..SBendtrans-73.8143.2174.51780000110.1V134V134-S137 CarbonylContact C-O 3.47Å; V134-S137 WeakPolarHBondContact O-CA 3.46Å; V134-S137 WeakPolarHBondContact O-CB 3.31Å; V134-S137 PolarHBondContact O-N 2.93Å
138E91.1Very high93.5Very high148 Ų14868.6 Ų68.669%0.69234%0.34SS*.  trans-99.4150.2179.4-61.6-172.6166.400110.8V140 D159E138-V140 PolarHBondContact O-N 3.49Å; E138-D159 PolarHBondContact O-N 3.37Å; E138-D159 VanDerWaalsContact O-N 3.09Å
139I93Very high93.5Very high51 Ų5173.6 Ų73.626%0.26237%0.365SS..EExtended strand (participates in β ladder)trans-85106.7175.2-61.2173.4000108L130 E131 G141 K142 V156 L158L130-I139 HydrophobicContact CB-CD1 4.02Å; E131-I139 HydrophobicContact CG-CD1 4.37Å; I139-G141 WeakPolarHBondContact CG2-O 3.45Å; I139-K142 HydrophobicContact CG2-CB 4.36Å; I139-V156 HydrophobicContact CB-CG1 4.24Å; I139-V156 HydrophobicContact CD1-CG1 3.92Å; I139-V156 HydrophobicContact CG1-CG1 3.74Å; I139-V156 HydrophobicContact CG2-CG1 3.62Å; I139-L158 HydrophobicContact CG1-CD2 3.99Å
140V92.9Very high93.2Very high99 Ų9974.8 Ų74.860%0.638%0.382SS*.EExtended strand (participates in β ladder)trans-75.9-34.3177.2179.40000111E138 H157 D159E138-V140 PolarHBondContact O-N 3.49Å; V140-H157 PolarHBondContact N-O 3.43Å; V140-D159 HydrophobicContact CG2-CB 3.97Å
141G92.5Very high93Very high23 Ų2376.9 Ų76.924%0.23740%0.396CS..EExtended strand (participates in β ladder)trans-151.2151.2-17700000112.5I139 H157I139-G141 WeakPolarHBondContact CG2-O 3.45Å; G141-H157 PolarHBondContact N-O 2.86Å; G141-H157 PolarHBondContact O-N 3.36Å
142K93.7Very high92.9Very high81 Ų8179.4 Ų79.435%0.35240%0.401SS..EExtended strand (participates in β ladder)trans-146.1128.2176.7-179.5177.8174.1-1800110D127 I139 I154 K155 V156D127-K142 IonicContact OD1-NZ 3.44Å; D127-K142 PolarHBondContact OD1-NZ 3.07Å; I139-K142 HydrophobicContact CG2-CB 4.36Å; K142-I154 HydrophobicContact CG-CG2 4.17Å; K142-K155 WeakPolarHBondContact CA-O 3.21Å; K142-V156 HydrophobicContact CG-CG2 4.5Å
143R93.9Very high92.8Very high135 Ų13581.1 Ų81.151%0.50941%0.41SS..EExtended strand (participates in β ladder)trans-134.6154.8174.163.4-176.3172.6166.2-1.3110.7K155 H157 E188R143-K155 HydrophobicContact CG-CB 3.82Å; R143-K155 PolarHBondContact N-O 3.13Å; R143-K155 PolarHBondContact O-N 3.4Å; R143-H157 PolarHBondContact NE-NE2 2.77Å; R143-E188 IonicContact NH2-OE2 2.76Å
144I94.4Very high92.8Very high92 Ų9281.6 Ų81.647%0.47241%0.412SS..EExtended strand (participates in β ladder)trans-113.7116.2176.4-58.5176000106.9V146 R152 I154I144-V146 HydrophobicContact CG2-CG2 4.43Å; I144-R152 HydrophobicContact CG2-CB 3.96Å; I144-R152 HydrophobicContact CG2-CG 4.36Å; I144-I154 HydrophobicContact CG1-CG1 4.4Å
145R93.5Very high92.9Very high148 Ų14883.3 Ų83.356%0.55842%0.42SS*.EExtended strand (participates in β ladder)trans-85122.7169-176-179.9-179.1-176.52.3108.2R152 L153R145-R152 WeakPolarHBondContact O-CA 3.46Å; R145-L153 PolarHBondContact N-O 3.39Å; R145-L153 PolarHBondContact O-N 2.94Å
146V94.5Very high93Very high91 Ų9180.5 Ų80.555%0.55241%0.407SS*.EExtended strand (participates in β ladder)trans-98122.2170.5-1730000107.2I144 R152I144-V146 HydrophobicContact CG2-CG2 4.43Å; V146-R152 HydrophobicContact CG2-CG 4.36Å
147K92.6Very high93.2Very high102 Ų10279.7 Ų79.744%0.44340%0.399SS..PPolyproline II helixtrans-83.6168.6175.8-64.9-170.5-157.7166.50110.3D149 G150 S151K147-D149 VanDerWaalsContact C-N 3.25Å; K147-D149 WeakPolarHBondContact CB-OD1 3.39Å; K147-D149 PolarHBondContact O-N 2.7Å; K147-G150 PolarHBondContact O-N 2.8Å; K147-S151 WeakPolarHBondContact CD-OG 3.43Å; K147-S151 PolarHBondContact N-O 2.91Å
148L94.6Very high93.2Very high193 Ų19379.4 Ų79.4100%1.0140%0.397SS*.THydrogen-bonded Turntrans-58.9-33.3178.7-96.2136.3000113.6G150L148-G150 PolarHBondContact O-N 3.33Å
149D93.7Very high93.3Very high122 Ų12274.3 Ų74.365%0.65237%0.374SS*.THydrogen-bonded Turntrans-74.9-1175.366.2-13.5000113.5K147 S151K147-D149 VanDerWaalsContact C-N 3.25Å; K147-D149 WeakPolarHBondContact CB-OD1 3.39Å; K147-D149 PolarHBondContact O-N 2.7Å; D149-S151 VanDerWaalsContact CG-OG 3.25Å; D149-S151 PolarHBondContact O-N 2.98Å; D149-S151 VanDerWaalsContact OD1-CB 3.27Å; D149-S151 WeakPolarHBondContact OD1-CB 3.28Å; D149-S151 PolarHBondContact OD1-N 2.93Å; D149-S151 PolarHBondContact OD1-OG 3.22Å; D149-S151 WeakPolarHBondContact OD2-CB 3.26Å; D149-S151 PolarHBondContact OD2-OG 3.45Å; D149-S151 VanDerWaalsContact OD2-OG 3.09Å
150G90Very high93.1Very high44 Ų4476 Ų7645%0.45438%0.38SS..SBendtrans81.5-4.5-175.500000114.4K147 L148K147-G150 PolarHBondContact O-N 2.8Å; L148-G150 PolarHBondContact O-N 3.33Å
151S90.5Very high92.9Very high43 Ų4374.6 Ų74.630%0.30138%0.378SS..  trans-64.5145.4174.571.40000110.4K147 D149K147-S151 WeakPolarHBondContact CD-OG 3.43Å; K147-S151 PolarHBondContact N-O 2.91Å; D149-S151 VanDerWaalsContact CG-OG 3.25Å; D149-S151 PolarHBondContact O-N 2.98Å; D149-S151 VanDerWaalsContact OD1-CB 3.27Å; D149-S151 WeakPolarHBondContact OD1-CB 3.28Å; D149-S151 PolarHBondContact OD1-N 2.93Å; D149-S151 PolarHBondContact OD1-OG 3.22Å; D149-S151 WeakPolarHBondContact OD2-CB 3.26Å; D149-S151 PolarHBondContact OD2-OG 3.45Å; D149-S151 VanDerWaalsContact OD2-OG 3.09Å
152R92.1Very high92.6Very high173 Ų17376.1 Ų76.165%0.65338%0.38SS*.EExtended strand (participates in β ladder)trans-115.7125.2-175.4-58.4-172.9-170.6-172.81.5109.7I144 R145 V146I144-R152 HydrophobicContact CG2-CB 3.96Å; I144-R152 HydrophobicContact CG2-CG 4.36Å; R145-R152 WeakPolarHBondContact O-CA 3.46Å; V146-R152 HydrophobicContact CG2-CG 4.36Å
153L92.9Very high92.4Very high40 Ų4074.6 Ų74.621%0.20937%0.373CS..EExtended strand (participates in β ladder)trans-109.7120.9171.1-177.867.5000108.8R145 D184R145-L153 PolarHBondContact N-O 3.39Å; R145-L153 PolarHBondContact O-N 2.94Å; L153-D184 HydrophobicContact CD1-CB 3.83Å
154I95.2Very high92.2Very high12 Ų1274.8 Ų74.86%0.06239%0.385CS..EExtended strand (participates in β ladder)trans-84.2123.7175.2-53.8177.1000107.6K142 I144 V156 Y177 K183 D184 V185 N186K142-I154 HydrophobicContact CG-CG2 4.17Å; I144-I154 HydrophobicContact CG1-CG1 4.4Å; I154-V156 HydrophobicContact CG2-CG2 3.84Å; I154-Y177 HydrophobicContact CD1-CE1 4.19Å; I154-K183 HydrophobicContact CD1-CB 4.43Å; I154-K183 HydrophobicContact CD1-CD 4.21Å; I154-D184 PolarHBondContact N-O 2.98Å; I154-D184 VanDerWaalsContact N-O 3.11Å; I154-V185 HydrophobicContact CB-CG2 3.88Å; I154-V185 HydrophobicContact CD1-CG2 4.1Å; I154-V185 HydrophobicContact CG1-CG2 4.44Å; I154-V185 HydrophobicContact CG2-CG2 4.3Å; I154-V185 CarbonylContact O-C 3.56Å; I154-V185 VanDerWaalsContact O-CA 3.31Å; I154-V185 WeakPolarHBondContact O-CA 3.4Å; I154-N186 PolarHBondContact O-N 3.14Å
155K94.6Very high91.8Very high36 Ų3675.1 Ų75.116%0.15739%0.388CS..EExtended strand (participates in β ladder)trans-105123171.1-66.5-177.2164.1-120.80108.7K142 R143 N186 E188K142-K155 WeakPolarHBondContact CA-O 3.21Å; R143-K155 HydrophobicContact CG-CB 3.82Å; R143-K155 PolarHBondContact N-O 3.13Å; R143-K155 PolarHBondContact O-N 3.4Å; K155-N186 WeakPolarHBondContact CA-O 3.37Å; K155-E188 IonicContact NZ-OE1 2.57Å; K155-E188 PolarHBondContact NZ-OE1 2.96Å; K155-E188 IonicContact NZ-OE2 2.8Å
156V95.2Very high91.6Very high0 Ų068.3 Ų68.30%036%0.362CS..EExtended strand (participates in β ladder)trans-115.1124.4-177.8-178.40000107.9I139 K142 I154 L158 V185 N186 F187 E188I139-V156 HydrophobicContact CB-CG1 4.24Å; I139-V156 HydrophobicContact CD1-CG1 3.92Å; I139-V156 HydrophobicContact CG1-CG1 3.74Å; I139-V156 HydrophobicContact CG2-CG1 3.62Å; K142-V156 HydrophobicContact CG-CG2 4.5Å; I154-V156 HydrophobicContact CG2-CG2 3.84Å; V156-L158 HydrophobicContact CG1-CD2 3.74Å; V156-V185 HydrophobicContact CB-CG1 4.4Å; V156-V185 HydrophobicContact CG2-CG1 3.71Å; V156-N186 PolarHBondContact N-O 3.01Å; V156-F187 HydrophobicContact CB-CD1 3.69Å; V156-F187 HydrophobicContact CB-CE1 3.97Å; V156-F187 HydrophobicContact CG1-CD1 3.81Å; V156-F187 HydrophobicContact CG1-CE1 3.95Å; V156-F187 HydrophobicContact CG2-CD1 4.41Å; V156-F187 HydrophobicContact CG2-CE1 4.24Å; V156-F187 CarbonylContact O-C 3.42Å; V156-F187 WeakPolarHBondContact O-CA 3.47Å; V156-E188 PolarHBondContact O-N 3.41Å
157H93.6Very high91.3Very high35 Ų3568.9 Ų68.916%0.16236%0.359CS..EExtended strand (participates in β ladder)trans-95.7119174.9-64.6-70.1000108.8V140 G141 R143 E188V140-H157 PolarHBondContact N-O 3.43Å; G141-H157 PolarHBondContact N-O 2.86Å; G141-H157 PolarHBondContact O-N 3.36Å; R143-H157 PolarHBondContact NE-NE2 2.77Å; H157-E188 VanDerWaalsContact CA-O 3.27Å; H157-E188 WeakPolarHBondContact CA-O 2.96Å; H157-E188 IonicContact CE1-OE2 2.67Å; H157-E188 PolarHBondContact CE1-OE2 3.36Å; H157-E188 VanDerWaalsContact CE1-OE2 3.3Å
158L93.3Very high91.1Very high0 Ų068.2 Ų68.20%036%0.357CS..EExtended strand (participates in β ladder)trans-96.3156.1179.2-59.4-174.1000111V134 I139 V156 K160 V166 F187 E188 F189 P190V134-L158 HydrophobicContact CB-CD2 4.26Å; V134-L158 HydrophobicContact CG1-CD1 3.57Å; V134-L158 HydrophobicContact CG1-CD2 3.38Å; V134-L158 HydrophobicContact CG1-CG 4.05Å; V134-L158 HydrophobicContact CG2-CD2 4.17Å; I139-L158 HydrophobicContact CG1-CD2 3.99Å; V156-L158 HydrophobicContact CG1-CD2 3.74Å; L158-K160 PolarHBondContact O-N 2.92Å; L158-V166 HydrophobicContact CD1-CG1 4.3Å; L158-F187 HydrophobicContact CD1-CB 4.07Å; L158-F187 HydrophobicContact CD1-CD1 3.91Å; L158-F187 HydrophobicContact CD1-CG 4.29Å; L158-F187 HydrophobicContact CD2-CD1 4.01Å; L158-F187 HydrophobicContact CG-CB 4.41Å; L158-F187 HydrophobicContact CG-CD1 4.06Å; L158-E188 PolarHBondContact N-O 3.01Å; L158-F189 HydrophobicContact CB-CD1 3.91Å; L158-F189 HydrophobicContact CB-CE1 3.65Å; L158-F189 HydrophobicContact CB-CZ 4.41Å; L158-F189 HydrophobicContact CD1-CE1 4.21Å; L158-F189 HydrophobicContact CD1-CZ 4.19Å; L158-P190 WeakPolarHBondContact O-CD 3.47Å
159D91.6Very high90.9Very high40 Ų4060.1 Ų60.121%0.21431%0.314CS..PPolyproline II helixtrans-60.6125.1175179.922.2000111.5E138 V140 A161 Q162E138-D159 PolarHBondContact O-N 3.37Å; E138-D159 VanDerWaalsContact O-N 3.09Å; V140-D159 HydrophobicContact CG2-CB 3.97Å; D159-A161 VanDerWaalsContact C-N 3.26Å; D159-A161 PolarHBondContact O-N 2.89Å; D159-A161 PolarHBondContact OD1-N 2.81Å; D159-Q162 PolarHBondContact O-N 3.29Å
160K89.3Confident90.8Very high87 Ų8755.4 Ų55.438%0.37829%0.289SS..G310 helixtrans-63.5-31.3-178.7-166.1-175.1-170.4-179.70111.9L158 Q162 Q163 P190 E191L158-K160 PolarHBondContact O-N 2.92Å; K160-Q162 PolarHBondContact O-N 2.57Å; K160-Q162 VanDerWaalsContact O-N 3.16Å; K160-Q163 VanDerWaalsContact O-CB 3.23Å; K160-Q163 WeakPolarHBondContact O-CB 3.17Å; K160-Q163 PolarHBondContact O-N 3.1Å; K160-P190 WeakPolarHBondContact CD-O 3.43Å; K160-E191 PolarHBondContact NZ-O 3.35Å
161A88.5Confident90.8Very high69 Ų6959.2 Ų59.257%0.5730%0.295SS*.G310 helixtrans-63.5-22.6178.800000112.8D159D159-A161 VanDerWaalsContact C-N 3.26Å; D159-A161 PolarHBondContact O-N 2.89Å; D159-A161 PolarHBondContact OD1-N 2.81Å
162Q87.3Confident90.9Very high56 Ų5657.2 Ų57.226%0.26228%0.281SS..G310 helixtrans-97.95.3177.7-62.3-59.9-33.300113.7D159 K160 N164 N165 V166D159-Q162 PolarHBondContact O-N 3.29Å; K160-Q162 PolarHBondContact O-N 2.57Å; K160-Q162 VanDerWaalsContact O-N 3.16Å; Q162-N164 PolarHBondContact O-N 2.83Å; Q162-N165 PolarHBondContact O-N 3.32Å; Q162-N165 VanDerWaalsContact O-N 3.09Å; Q162-N165 PolarHBondContact OE1-ND2 3.37Å; Q162-V166 HydrophobicContact CB-CG2 4.32Å; Q162-V166 PolarHBondContact O-N 3.33Å; Q162-V166 VanDerWaalsContact O-N 3.13Å
163Q88.9Confident90.9Very high48 Ų4849.4 Ų49.422%0.22425%0.252CS..Hα-helixtrans-53.8-52.5-175.6-178.1171.12.300112K160 N165 V166 E167 F189K160-Q163 VanDerWaalsContact O-CB 3.23Å; K160-Q163 WeakPolarHBondContact O-CB 3.17Å; K160-Q163 PolarHBondContact O-N 3.1Å; Q163-N165 PolarHBondContact O-N 2.7Å; Q163-N165 VanDerWaalsContact O-N 3.08Å; Q163-V166 PolarHBondContact O-N 2.81Å; Q163-V166 VanDerWaalsContact O-N 3.08Å; Q163-E167 HydrophobicContact CG-CB 4.24Å; Q163-E167 PolarHBondContact NE2-OE1 3.19Å; Q163-E167 WeakPolarHBondContact O-CB 3.48Å; Q163-E167 PolarHBondContact O-N 3.11Å; Q163-F189 HydrophobicContact CB-CD1 3.85Å; Q163-F189 HydrophobicContact CB-CD2 4.43Å; Q163-F189 HydrophobicContact CB-CE1 3.89Å; Q163-F189 HydrophobicContact CB-CE2 4.47Å; Q163-F189 HydrophobicContact CB-CG 4.13Å; Q163-F189 HydrophobicContact CB-CZ 4.21Å; Q163-F189 HydrophobicContact CG-CD1 4.1Å; Q163-F189 HydrophobicContact CG-CD2 3.76Å; Q163-F189 HydrophobicContact CG-CE1 4.19Å; Q163-F189 HydrophobicContact CG-CE2 3.86Å; Q163-F189 HydrophobicContact CG-CG 3.89Å; Q163-F189 HydrophobicContact CG-CZ 4.08Å
164N88.9Confident90.9Very high139 Ų13949 Ų4974%0.74325%0.253SS*.Hα-helixtrans-56.7-32.8-178.9-62.5-16.5000113.3Q162Q162-N164 PolarHBondContact O-N 2.83Å
165N87.2Confident90.8Very high100 Ų10049.6 Ų49.654%0.53526%0.262SS..Hα-helixtrans-83.5-25.8-177-65.9-30.8000113Q162 Q163 H168Q162-N165 PolarHBondContact O-N 3.32Å; Q162-N165 VanDerWaalsContact O-N 3.09Å; Q162-N165 PolarHBondContact OE1-ND2 3.37Å; Q163-N165 PolarHBondContact O-N 2.7Å; Q163-N165 VanDerWaalsContact O-N 3.08Å; N165-H168 PolarHBondContact O-CE1 2.88Å
166V89.3Confident90.8Very high5 Ų547.9 Ų47.93%0.0325%0.254CS..Hα-helixtrans-119.4-23.9-164.9-179.10000113.3L158 Q162 Q163 H168 K169 V170 F173L158-V166 HydrophobicContact CD1-CG1 4.3Å; Q162-V166 HydrophobicContact CB-CG2 4.32Å; Q162-V166 PolarHBondContact O-N 3.33Å; Q162-V166 VanDerWaalsContact O-N 3.13Å; Q163-V166 PolarHBondContact O-N 2.81Å; Q163-V166 VanDerWaalsContact O-N 3.08Å; V166-H168 VanDerWaalsContact C-N 3.29Å; V166-H168 PolarHBondContact O-N 2.82Å; V166-K169 WeakPolarHBondContact O-CA 3.35Å; V166-K169 PolarHBondContact O-N 2.97Å; V166-V170 PolarHBondContact O-N 3.19Å; V166-F173 HydrophobicContact CG1-CD2 4.32Å; V166-F173 HydrophobicContact CG1-CE2 3.39Å; V166-F173 HydrophobicContact CG1-CZ 4.08Å
167E88.5Confident90.7Very high102 Ų10248 Ų4848%0.47726%0.255SS..G310 helixtrans-53.2-43.2-175.9-178.5167.7-129.900112.9Q163 K169 V170 F189Q163-E167 HydrophobicContact CG-CB 4.24Å; Q163-E167 PolarHBondContact NE2-OE1 3.19Å; Q163-E167 WeakPolarHBondContact O-CB 3.48Å; Q163-E167 PolarHBondContact O-N 3.11Å; E167-K169 PolarHBondContact O-N 3.48Å; E167-K169 VanDerWaalsContact O-N 3.07Å; E167-V170 WeakPolarHBondContact O-CB 3.19Å; E167-V170 WeakPolarHBondContact O-CG2 3.49Å; E167-V170 PolarHBondContact O-N 2.81Å; E167-V170 VanDerWaalsContact O-N 3.13Å; E167-F189 HydrophobicContact CB-CE2 4.1Å; E167-F189 HydrophobicContact CB-CZ 4.41Å; E167-F189 HydrophobicContact CG-CE2 4.36Å
168H88.5Confident90.7Very high89 Ų8951.4 Ų51.441%0.41227%0.269SS..G310 helixtrans-66-12178.768.9-89.3000114.4R57 H91 N165 V166R57-H168 PolarHBondContact NH1-O 2.71Å; H91-H168 AromaticContact CE1-CD2 3.81Å; N165-H168 PolarHBondContact O-CE1 2.88Å; V166-H168 VanDerWaalsContact C-N 3.29Å; V166-H168 PolarHBondContact O-N 2.82Å
169K89.4Confident90.7Very high23 Ų2359 Ų5910%0.130%0.302CS..G310 helixtrans-105.7-3.5177.6-54.6-168.3-175.3-167.40113.4E84 V166 E167 E171 T172 F173E84-K169 WeakPolarHBondContact OE1-CE 3.36Å; E84-K169 IonicContact OE1-NZ 2.79Å; E84-K169 PolarHBondContact OE1-NZ 2.92Å; E84-K169 IonicContact OE2-NZ 2.7Å; E84-K169 PolarHBondContact OE2-NZ 3.3Å; V166-K169 WeakPolarHBondContact O-CA 3.35Å; V166-K169 PolarHBondContact O-N 2.97Å; E167-K169 PolarHBondContact O-N 3.48Å; E167-K169 VanDerWaalsContact O-N 3.07Å; K169-E171 VanDerWaalsContact C-N 3.35Å; K169-E171 PolarHBondContact O-N 3.35Å; K169-T172 WeakPolarHBondContact O-CA 3.44Å; K169-T172 WeakPolarHBondContact O-CB 3.38Å; K169-T172 PolarHBondContact O-N 3.43Å; K169-F173 HydrophobicContact CB-CD1 4.34Å; K169-F173 HydrophobicContact CB-CE1 3.76Å; K169-F173 HydrophobicContact CB-CE2 4.15Å; K169-F173 HydrophobicContact CB-CZ 3.66Å; K169-F173 HydrophobicContact CD-CE1 4.33Å; K169-F173 HydrophobicContact CD-CZ 4.23Å; K169-F173 WeakPolarHBondContact O-CG 3.44Å; K169-F173 PolarHBondContact O-N 3.38Å
170V91.3Very high90.8Very high22 Ų2260 Ų6013%0.13331%0.307CS..Hα-helixtrans-56.6-45.3-174.8161.80000112.7V166 E167 T172 F173 S174 F187 F189V166-V170 PolarHBondContact O-N 3.19Å; E167-V170 WeakPolarHBondContact O-CB 3.19Å; E167-V170 WeakPolarHBondContact O-CG2 3.49Å; E167-V170 PolarHBondContact O-N 2.81Å; E167-V170 VanDerWaalsContact O-N 3.13Å; V170-T172 VanDerWaalsContact C-N 3.27Å; V170-T172 PolarHBondContact O-N 2.96Å; V170-F173 PolarHBondContact O-N 3.09Å; V170-S174 PolarHBondContact O-N 2.97Å; V170-S174 VanDerWaalsContact O-N 3.09Å; V170-F187 HydrophobicContact CG1-CB 3.77Å; V170-F187 HydrophobicContact CG1-CD2 4.2Å; V170-F187 HydrophobicContact CG1-CG 4.42Å; V170-F187 HydrophobicContact CG2-CB 4.28Å; V170-F189 HydrophobicContact CG2-CE2 4.1Å; V170-F189 HydrophobicContact CG2-CZ 4.27Å
171E90.7Very high90.9Very high124 Ų12456.9 Ų56.958%0.57930%0.296SS*.Hα-helixtrans-63.4-36.5176.7-65-175.4166.500112K169 S174 G175K169-E171 VanDerWaalsContact C-N 3.35Å; K169-E171 PolarHBondContact O-N 3.35Å; E171-S174 PolarHBondContact O-N 2.96Å; E171-G175 PolarHBondContact O-N 3.35Å
172T91.7Very high91.1Very high1 Ų156.6 Ų56.61%0.00630%0.299CS..Hα-helixtrans-61.1-48.4174.4-64.70000111.3V53 A59 H91 K169 V170 S174 G175 V176V53-T172 HydrophobicContact CG2-CG2 4.18Å; A59-T172 HydrophobicContact CB-CG2 3.64Å; H91-T172 HydrophobicContact CB-CG2 3.84Å; H91-T172 PolarHBondContact CD2-OG1 2.87Å; K169-T172 WeakPolarHBondContact O-CA 3.44Å; K169-T172 WeakPolarHBondContact O-CB 3.38Å; K169-T172 PolarHBondContact O-N 3.43Å; V170-T172 VanDerWaalsContact C-N 3.27Å; V170-T172 PolarHBondContact O-N 2.96Å; T172-S174 VanDerWaalsContact C-N 3.29Å; T172-S174 PolarHBondContact O-N 3.34Å; T172-G175 PolarHBondContact O-N 3.12Å; T172-V176 HydrophobicContact CG2-CG2 3.95Å; T172-V176 WeakPolarHBondContact O-CB 3.28Å; T172-V176 WeakPolarHBondContact O-CG2 3.21Å; T172-V176 PolarHBondContact O-N 2.9Å
173F93.4Very high91.4Very high9 Ų957.5 Ų57.54%0.03930%0.302CS..Hα-helixtrans-62-39.9179-59.4-19.8000112V93 L133 V134 V166 K169 V170 Y177 F187V93-F173 HydrophobicContact CG2-CD1 4.36Å; V93-F173 HydrophobicContact CG2-CE1 4.06Å; L133-F173 VanDerWaalsContact O-CE1 3.25Å; L133-F173 WeakPolarHBondContact O-CE1 2.99Å; L133-F173 VanDerWaalsContact O-CZ 3.29Å; L133-F173 WeakPolarHBondContact O-CZ 3.18Å; V134-F173 HydrophobicContact CG1-CE2 4.36Å; V134-F173 HydrophobicContact CG2-CD2 4.17Å; V134-F173 HydrophobicContact CG2-CE2 4.48Å; V166-F173 HydrophobicContact CG1-CD2 4.32Å; V166-F173 HydrophobicContact CG1-CE2 3.39Å; V166-F173 HydrophobicContact CG1-CZ 4.08Å; K169-F173 HydrophobicContact CB-CD1 4.34Å; K169-F173 HydrophobicContact CB-CE1 3.76Å; K169-F173 HydrophobicContact CB-CE2 4.15Å; K169-F173 HydrophobicContact CB-CZ 3.66Å; K169-F173 HydrophobicContact CD-CE1 4.33Å; K169-F173 HydrophobicContact CD-CZ 4.23Å; K169-F173 WeakPolarHBondContact O-CG 3.44Å; K169-F173 PolarHBondContact O-N 3.38Å; V170-F173 PolarHBondContact O-N 3.09Å; F173-Y177 VanDerWaalsContact O-CB 3.24Å; F173-Y177 WeakPolarHBondContact O-CB 3.4Å; F173-Y177 PolarHBondContact O-N 2.65Å; F173-F187 HydrophobicContact CB-CD2 4.14Å; F173-F187 HydrophobicContact CB-CE2 3.45Å; F173-F187 VanDerWaalsContact CB-CE2 3.45Å; F173-F187 HydrophobicContact CB-CZ 3.77Å
174S93.2Very high91.6Very high33 Ų3358.4 Ų58.423%0.23131%0.309CS..Hα-helixtrans-63.1-47.4176.7-174.50000111.2V170 E171 T172 Y177 K178 V185V170-S174 PolarHBondContact O-N 2.97Å; V170-S174 VanDerWaalsContact O-N 3.09Å; E171-S174 PolarHBondContact O-N 2.96Å; T172-S174 VanDerWaalsContact C-N 3.29Å; T172-S174 PolarHBondContact O-N 3.34Å; S174-Y177 PolarHBondContact O-N 3.05Å; S174-K178 VanDerWaalsContact O-CB 3.31Å; S174-K178 WeakPolarHBondContact O-CB 3.19Å; S174-K178 PolarHBondContact O-N 3.41Å; S174-V185 WeakPolarHBondContact CB-O 3.29Å; S174-V185 PolarHBondContact OG-O 2.86Å
175G92.9Very high91.8Very high24 Ų2452 Ų5225%0.24728%0.275CS..Hα-helixtrans-61.7-47.3177.200000113.1E171 T172 Y177 K178 K179E171-G175 PolarHBondContact O-N 3.35Å; T172-G175 PolarHBondContact O-N 3.12Å; G175-Y177 PolarHBondContact O-N 3.18Å; G175-K178 PolarHBondContact O-N 3.37Å; G175-K179 WeakPolarHBondContact O-CB 3.29Å; G175-K179 PolarHBondContact O-N 2.74Å
176V93.4Very high92.1Very high0 Ų050.4 Ų50.40%027%0.266CS..Hα-helixtrans-59.2-49.8177.6179.90000110.2I51 A59 I61 I95 L133 T172 K178 K179 L180I51-V176 HydrophobicContact CD1-CB 3.92Å; I51-V176 HydrophobicContact CD1-CG1 4.21Å; I51-V176 HydrophobicContact CD1-CG2 3.5Å; I51-V176 VanDerWaalsContact CD1-CG2 3.5Å; A59-V176 HydrophobicContact CB-CG2 4.24Å; I61-V176 HydrophobicContact CD1-CG1 3.69Å; I61-V176 HydrophobicContact CG1-CG1 3.89Å; I95-V176 HydrophobicContact CD1-CG1 4.09Å; L133-V176 HydrophobicContact CD2-CB 4.07Å; L133-V176 HydrophobicContact CD2-CG1 3.5Å; T172-V176 HydrophobicContact CG2-CG2 3.95Å; T172-V176 WeakPolarHBondContact O-CB 3.28Å; T172-V176 WeakPolarHBondContact O-CG2 3.21Å; T172-V176 PolarHBondContact O-N 2.9Å; V176-K178 PolarHBondContact O-N 3.03Å; V176-K179 PolarHBondContact O-N 2.87Å; V176-L180 HydrophobicContact CG1-CD1 3.79Å; V176-L180 HydrophobicContact CG1-CG 4.36Å; V176-L180 WeakPolarHBondContact O-CG 3.45Å; V176-L180 PolarHBondContact O-N 3.07Å
177Y94.6Very high92.3Very high1 Ų150.7 Ų50.70%0.00427%0.267CS..Hα-helixtrans-64.4-41.1-177.9-173.4-101.4000112.1I129 L130 L133 I154 F173 S174 G175 K179 L180 T181 K183 V185I129-Y177 HydrophobicContact CB-CE2 4.49Å; I129-Y177 HydrophobicContact CG2-CD2 3.97Å; I129-Y177 HydrophobicContact CG2-CE2 4.23Å; L130-Y177 HydrophobicContact CD1-CE2 4.15Å; L130-Y177 HydrophobicContact CD2-CD1 4.07Å; L130-Y177 HydrophobicContact CD2-CD2 3.38Å; L130-Y177 HydrophobicContact CD2-CE1 4.03Å; L130-Y177 HydrophobicContact CD2-CE2 3.4Å; L130-Y177 VanDerWaalsContact CD2-CE2 3.4Å; L130-Y177 HydrophobicContact CD2-CG 3.69Å; L130-Y177 HydrophobicContact CG-CD2 3.86Å; L130-Y177 HydrophobicContact CG-CE1 4.46Å; L130-Y177 HydrophobicContact CG-CE2 3.37Å; L133-Y177 HydrophobicContact CD1-CD2 3.79Å; L133-Y177 HydrophobicContact CD1-CG 4.21Å; I154-Y177 HydrophobicContact CD1-CE1 4.19Å; F173-Y177 VanDerWaalsContact O-CB 3.24Å; F173-Y177 WeakPolarHBondContact O-CB 3.4Å; F173-Y177 PolarHBondContact O-N 2.65Å; S174-Y177 PolarHBondContact O-N 3.05Å; G175-Y177 PolarHBondContact O-N 3.18Å; Y177-K179 VanDerWaalsContact C-N 3.34Å; Y177-K179 PolarHBondContact O-N 3.36Å; Y177-L180 PolarHBondContact O-N 3.32Å; Y177-T181 WeakPolarHBondContact CD1-OG1 3.13Å; Y177-T181 HydrophobicContact CD2-CG2 3.79Å; Y177-T181 HydrophobicContact CE1-CG2 4.37Å; Y177-T181 WeakPolarHBondContact CE1-OG1 3.42Å; Y177-T181 HydrophobicContact CE2-CG2 3.44Å; Y177-T181 VanDerWaalsContact CE2-CG2 3.44Å; Y177-T181 HydrophobicContact CG-CG2 4.38Å; Y177-T181 WeakPolarHBondContact O-CB 3.3Å; Y177-T181 PolarHBondContact O-N 2.98Å; Y177-T181 PolarHBondContact O-OG1 3.41Å; Y177-K183 WeakPolarHBondContact CD1-O 3.46Å; Y177-K183 HydrophobicContact CE1-CB 3.84Å; Y177-V185 HydrophobicContact CD1-CB 4.11Å; Y177-V185 HydrophobicContact CD1-CG2 3.12Å; Y177-V185 HydrophobicContact CE1-CG2 3.18Å; Y177-V185 HydrophobicContact CG-CG2 4.01Å
178K93.7Very high92.5Very high108 Ų10848 Ų4847%0.4726%0.255SS..Hα-helixtrans-61.1-42.9174.6-175.7173.1-174.6154.40111.5S174 G175 V176 G182 K183 D184S174-K178 VanDerWaalsContact O-CB 3.31Å; S174-K178 WeakPolarHBondContact O-CB 3.19Å; S174-K178 PolarHBondContact O-N 3.41Å; G175-K178 PolarHBondContact O-N 3.37Å; V176-K178 PolarHBondContact O-N 3.03Å; K178-G182 WeakPolarHBondContact O-CA 3.38Å; K178-G182 PolarHBondContact O-N 3.28Å; K178-K183 WeakPolarHBondContact CA-O 3.11Å; K178-D184 VanDerWaalsContact CD-OD1 3.29Å; K178-D184 WeakPolarHBondContact CD-OD1 3.48Å; K178-D184 WeakPolarHBondContact CE-OD1 3.27Å; K178-D184 IonicContact NZ-OD1 2.71Å; K178-D184 PolarHBondContact NZ-OD1 3.06Å
179K92.7Very high92.6Very high160 Ų16045.6 Ų45.670%0.69624%0.243SC*.Hα-helixtrans-65.5-39.3178.5-171.864.5174.5-171.90112.6I51 G175 V176 Y177I51-K179 HydrophobicContact CG2-CG 4.26Å; G175-K179 WeakPolarHBondContact O-CB 3.29Å; G175-K179 PolarHBondContact O-N 2.74Å; V176-K179 PolarHBondContact O-N 2.87Å; Y177-K179 VanDerWaalsContact C-N 3.34Å; Y177-K179 PolarHBondContact O-N 3.36Å
180L93Very high92.4Very high61 Ų6146 Ų4632%0.31925%0.248SC..Hα-helixtrans-80-33.8-178-67.4176.3000113.6I61 F63 I95 I129 V176 Y177I61-L180 HydrophobicContact CD1-CD1 4.32Å; I61-L180 HydrophobicContact CD1-CD2 4.21Å; I61-L180 HydrophobicContact CD1-CG 4.34Å; F63-L180 HydrophobicContact CE1-CD2 4.47Å; F63-L180 HydrophobicContact CZ-CD2 3.98Å; I95-L180 HydrophobicContact CD1-CD1 3.25Å; I129-L180 HydrophobicContact CG2-CD1 4.33Å; V176-L180 HydrophobicContact CG1-CD1 3.79Å; V176-L180 HydrophobicContact CG1-CG 4.36Å; V176-L180 WeakPolarHBondContact O-CG 3.45Å; V176-L180 PolarHBondContact O-N 3.07Å; Y177-L180 PolarHBondContact O-N 3.32Å
181T92.7Very high91.9Very high21 Ų2152.1 Ų52.113%0.12928%0.275CS..Hα-helixtrans-118.4-14.3-16972.60000114.9H126 I129 Y177 K183H126-T181 VanDerWaalsContact CE1-CB 3.45Å; H126-T181 WeakPolarHBondContact CE1-CB 3.24Å; I129-T181 HydrophobicContact CD1-CG2 4.36Å; Y177-T181 WeakPolarHBondContact CD1-OG1 3.13Å; Y177-T181 HydrophobicContact CD2-CG2 3.79Å; Y177-T181 HydrophobicContact CE1-CG2 4.37Å; Y177-T181 WeakPolarHBondContact CE1-OG1 3.42Å; Y177-T181 HydrophobicContact CE2-CG2 3.44Å; Y177-T181 VanDerWaalsContact CE2-CG2 3.44Å; Y177-T181 HydrophobicContact CG-CG2 4.38Å; Y177-T181 WeakPolarHBondContact O-CB 3.3Å; Y177-T181 PolarHBondContact O-N 2.98Å; Y177-T181 PolarHBondContact O-OG1 3.41Å; T181-K183 PolarHBondContact O-N 3.26Å; T181-K183 PolarHBondContact OG1-N 3.04Å
182G92.1Very high90.9Very high63 Ų6354.3 Ų54.365%0.64928%0.283SS*.SBendtrans70.411.8-173.900000114.5K178K178-G182 WeakPolarHBondContact O-CA 3.38Å; K178-G182 PolarHBondContact O-N 3.28Å
183K92.4Very high89.5Confident75 Ų7561.1 Ų61.133%0.32632%0.315SS..  trans-111.3141.2-178-64.4-178.7-177.3170.70111.3H126 I154 Y177 K178 T181H126-K183 WeakPolarHBondContact ND1-CE 3.36Å; H126-K183 PolarHBondContact ND1-NZ 3.18Å; H126-K183 VanDerWaalsContact ND1-NZ 3.12Å; I154-K183 HydrophobicContact CD1-CB 4.43Å; I154-K183 HydrophobicContact CD1-CD 4.21Å; Y177-K183 WeakPolarHBondContact CD1-O 3.46Å; Y177-K183 HydrophobicContact CE1-CB 3.84Å; K178-K183 WeakPolarHBondContact CA-O 3.11Å; T181-K183 PolarHBondContact O-N 3.26Å; T181-K183 PolarHBondContact OG1-N 3.04Å
184D93.1Very high87.6Confident67 Ų6772.4 Ų72.436%0.35837%0.374SS..EExtended strand (participates in β ladder)trans-82.4132.6175.1-62.1-64.1000111.5L153 I154 K178L153-D184 HydrophobicContact CD1-CB 3.83Å; I154-D184 PolarHBondContact N-O 2.98Å; I154-D184 VanDerWaalsContact N-O 3.11Å; K178-D184 VanDerWaalsContact CD-OD1 3.29Å; K178-D184 WeakPolarHBondContact CD-OD1 3.48Å; K178-D184 WeakPolarHBondContact CE-OD1 3.27Å; K178-D184 IonicContact NZ-OD1 2.71Å; K178-D184 PolarHBondContact NZ-OD1 3.06Å
185V94.2Very high87.4Confident4 Ų474.4 Ų74.42%0.02438%0.381CS..EExtended strand (participates in β ladder)trans-128.3136.8176.51760000109.6L130 I154 V156 S174 Y177 F187L130-V185 HydrophobicContact CD2-CG1 4.39Å; L130-V185 HydrophobicContact CD2-CG2 3.99Å; I154-V185 HydrophobicContact CB-CG2 3.88Å; I154-V185 HydrophobicContact CD1-CG2 4.1Å; I154-V185 HydrophobicContact CG1-CG2 4.44Å; I154-V185 HydrophobicContact CG2-CG2 4.3Å; I154-V185 CarbonylContact O-C 3.56Å; I154-V185 VanDerWaalsContact O-CA 3.31Å; I154-V185 WeakPolarHBondContact O-CA 3.4Å; V156-V185 HydrophobicContact CB-CG1 4.4Å; V156-V185 HydrophobicContact CG2-CG1 3.71Å; S174-V185 WeakPolarHBondContact CB-O 3.29Å; S174-V185 PolarHBondContact OG-O 2.86Å; Y177-V185 HydrophobicContact CD1-CB 4.11Å; Y177-V185 HydrophobicContact CD1-CG2 3.12Å; Y177-V185 HydrophobicContact CE1-CG2 3.18Å; Y177-V185 HydrophobicContact CG-CG2 4.01Å; V185-F187 HydrophobicContact CB-CE2 4.32Å; V185-F187 HydrophobicContact CB-CZ 4.48Å; V185-F187 HydrophobicContact CG1-CD1 4.34Å; V185-F187 HydrophobicContact CG1-CD2 4.04Å; V185-F187 HydrophobicContact CG1-CE1 3.94Å; V185-F187 HydrophobicContact CG1-CE2 3.6Å; V185-F187 HydrophobicContact CG1-CG 4.39Å; V185-F187 HydrophobicContact CG1-CZ 3.56Å
186N94.2Very high87.1Confident67 Ų6777.1 Ų77.136%0.35839%0.388SS..EExtended strand (participates in β ladder)trans-111.9131.2165.8-16438000109.3I154 K155 V156 E188I154-N186 PolarHBondContact O-N 3.14Å; K155-N186 WeakPolarHBondContact CA-O 3.37Å; V156-N186 PolarHBondContact N-O 3.01Å; N186-E188 PolarHBondContact ND2-OE1 3.09Å
187F93.8Very high86.7Confident10 Ų1081.3 Ų81.34%0.04441%0.41CS..EExtended strand (participates in β ladder)trans-100.6134.6172.6-57.7-88.6000109L130 V134 V156 L158 V170 F173 V185L130-F187 HydrophobicContact CD2-CZ 4.23Å; V134-F187 HydrophobicContact CG2-CD1 4.15Å; V134-F187 HydrophobicContact CG2-CE1 3.45Å; V134-F187 VanDerWaalsContact CG2-CE1 3.45Å; V134-F187 HydrophobicContact CG2-CZ 4.06Å; V156-F187 HydrophobicContact CB-CD1 3.69Å; V156-F187 HydrophobicContact CB-CE1 3.97Å; V156-F187 HydrophobicContact CG1-CD1 3.81Å; V156-F187 HydrophobicContact CG1-CE1 3.95Å; V156-F187 HydrophobicContact CG2-CD1 4.41Å; V156-F187 HydrophobicContact CG2-CE1 4.24Å; V156-F187 CarbonylContact O-C 3.42Å; V156-F187 WeakPolarHBondContact O-CA 3.47Å; L158-F187 HydrophobicContact CD1-CB 4.07Å; L158-F187 HydrophobicContact CD1-CD1 3.91Å; L158-F187 HydrophobicContact CD1-CG 4.29Å; L158-F187 HydrophobicContact CD2-CD1 4.01Å; L158-F187 HydrophobicContact CG-CB 4.41Å; L158-F187 HydrophobicContact CG-CD1 4.06Å; V170-F187 HydrophobicContact CG1-CB 3.77Å; V170-F187 HydrophobicContact CG1-CD2 4.2Å; V170-F187 HydrophobicContact CG1-CG 4.42Å; V170-F187 HydrophobicContact CG2-CB 4.28Å; F173-F187 HydrophobicContact CB-CD2 4.14Å; F173-F187 HydrophobicContact CB-CE2 3.45Å; F173-F187 VanDerWaalsContact CB-CE2 3.45Å; F173-F187 HydrophobicContact CB-CZ 3.77Å; V185-F187 HydrophobicContact CB-CE2 4.32Å; V185-F187 HydrophobicContact CB-CZ 4.48Å; V185-F187 HydrophobicContact CG1-CD1 4.34Å; V185-F187 HydrophobicContact CG1-CD2 4.04Å; V185-F187 HydrophobicContact CG1-CE1 3.94Å; V185-F187 HydrophobicContact CG1-CE2 3.6Å; V185-F187 HydrophobicContact CG1-CG 4.39Å; V185-F187 HydrophobicContact CG1-CZ 3.56Å
188E92Very high86.2Confident47 Ų4786.1 Ų86.122%0.2243%0.434CS..EExtended strand (participates in β ladder)trans-133.4147.1-178-66.7170.5-169.700108R143 K155 V156 H157 L158 N186R143-E188 IonicContact NH2-OE2 2.76Å; K155-E188 IonicContact NZ-OE1 2.57Å; K155-E188 PolarHBondContact NZ-OE1 2.96Å; K155-E188 IonicContact NZ-OE2 2.8Å; V156-E188 PolarHBondContact O-N 3.41Å; H157-E188 VanDerWaalsContact CA-O 3.27Å; H157-E188 WeakPolarHBondContact CA-O 2.96Å; H157-E188 IonicContact CE1-OE2 2.67Å; H157-E188 PolarHBondContact CE1-OE2 3.36Å; H157-E188 VanDerWaalsContact CE1-OE2 3.3Å; L158-E188 PolarHBondContact N-O 3.01Å; N186-E188 PolarHBondContact ND2-OE1 3.09Å
189F90.9Very high85.8Confident37 Ų3784.7 Ų84.716%0.16243%0.432CS..  trans-100.8124.3169.8-63-82.2000108.2L158 Q163 E167 V170L158-F189 HydrophobicContact CB-CD1 3.91Å; L158-F189 HydrophobicContact CB-CE1 3.65Å; L158-F189 HydrophobicContact CB-CZ 4.41Å; L158-F189 HydrophobicContact CD1-CE1 4.21Å; L158-F189 HydrophobicContact CD1-CZ 4.19Å; Q163-F189 HydrophobicContact CB-CD1 3.85Å; Q163-F189 HydrophobicContact CB-CD2 4.43Å; Q163-F189 HydrophobicContact CB-CE1 3.89Å; Q163-F189 HydrophobicContact CB-CE2 4.47Å; Q163-F189 HydrophobicContact CB-CG 4.13Å; Q163-F189 HydrophobicContact CB-CZ 4.21Å; Q163-F189 HydrophobicContact CG-CD1 4.1Å; Q163-F189 HydrophobicContact CG-CD2 3.76Å; Q163-F189 HydrophobicContact CG-CE1 4.19Å; Q163-F189 HydrophobicContact CG-CE2 3.86Å; Q163-F189 HydrophobicContact CG-CG 3.89Å; Q163-F189 HydrophobicContact CG-CZ 4.08Å; E167-F189 HydrophobicContact CB-CE2 4.1Å; E167-F189 HydrophobicContact CB-CZ 4.41Å; E167-F189 HydrophobicContact CG-CE2 4.36Å; V170-F189 HydrophobicContact CG2-CE2 4.1Å; V170-F189 HydrophobicContact CG2-CZ 4.27Å
190P85.5Confident85.3Confident32 Ų3279.7 Ų79.721%0.20841%0.414CS..  trans-67.2135.2178.828.7-31.4000109.8L158 K160 F192L158-P190 WeakPolarHBondContact O-CD 3.47Å; K160-P190 WeakPolarHBondContact CD-O 3.43Å; P190-F192 VanDerWaalsContact C-N 3.29Å; P190-F192 PolarHBondContact O-N 3.21Å
191E79.7Confident84.8Confident151 Ų15181 Ų8171%0.70642%0.421SS*.SBendtrans-67.7-33.5177.5-70.6-176.4168.200111.9K160K160-E191 PolarHBondContact NZ-O 3.35Å
192F70.4Confident84.2Confident170 Ų17085.6 Ų85.675%0.74644%0.443SS*.SBendtrans-110.9129.6-179.3-58.6-85.3000110P190P190-F192 VanDerWaalsContact C-N 3.29Å; P190-F192 PolarHBondContact O-N 3.21Å
193Q61.7Low83.5Confident144 Ų14487.5 Ų87.567%0.67343%0.426SS*.  trans-76.6123.6159.8-83.8174.3-3300106.9
194L54.3Low82.7Confident246 Ų24688.6 Ų88.6100%1.28844%0.435SS*.  trans-66.10162.6-74.6165.3000108.8

Retrieved 194 of 194 residues in 56 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).