A0A096N2E2_PAPAN Loading...

Translocation protein SEC62

AlphaFold DB (F6TBV4), UniProt , Accession A0A096N2E2, Species PAPAN (Papio anubis, Olive baboon), Gene SEC62, Length 399 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
1M49.6Very low58.6Low182 Ų182143.3 Ų143.390%0.89763%0.633SS**  0-34.40-66.9-153.1-143.500114.8E3 R4 R5M1-E3 PolarHBondContact O-N 2.97Å; M1-R4 PolarHBondContact O-N 3.04Å; M1-R5 WeakPolarHBondContact O-CG 3.03Å; M1-R5 PolarHBondContact O-N 3.1Å
2A57.4Low58.5Low66 Ų66145.3 Ų145.355%0.54565%0.646SS.*Hα-helixtrans-62.5-40.9-174.800000115R5 R6A2-R5 PolarHBondContact O-N 3.13Å; A2-R6 WeakPolarHBondContact O-CG 3.32Å; A2-R6 PolarHBondContact O-N 3.31Å
3E58.4Low58.7Low168 Ų168146.8 Ų146.879%0.78566%0.656SS**Hα-helixtrans-65.8-42.5177.3-80.8-163.8141.300113.1M1 R5 R6 H7M1-E3 PolarHBondContact O-N 2.97Å; E3-R5 VanDerWaalsContact C-N 3.29Å; E3-R5 PolarHBondContact O-N 3.11Å; E3-R6 PolarHBondContact O-N 2.84Å; E3-R6 VanDerWaalsContact O-N 3.16Å; E3-H7 WeakPolarHBondContact O-CB 3.45Å; E3-H7 PolarHBondContact O-N 3.3Å
4R59.5Low59.1Low217 Ų217140.1 Ų140.182%0.81963%0.632SS**Hα-helixtrans-61-39.4175.9-73.4-171.7-179.3-157.21.4111.6M1 H7 K8M1-R4 PolarHBondContact O-N 3.04Å; R4-H7 PolarHBondContact O-N 3.3Å; R4-K8 WeakPolarHBondContact O-CB 3.44Å; R4-K8 PolarHBondContact O-N 3.14Å
5R57.1Low59.8Low169 Ų169133.3 Ų133.364%0.63862%0.615SS**Hα-helixtrans-65.8-41.2174.5-69.4-179-178-179.30.7111.7M1 A2 E3 K8 K9M1-R5 WeakPolarHBondContact O-CG 3.03Å; M1-R5 PolarHBondContact O-N 3.1Å; A2-R5 PolarHBondContact O-N 3.13Å; E3-R5 VanDerWaalsContact C-N 3.29Å; E3-R5 PolarHBondContact O-N 3.11Å; R5-K8 PolarHBondContact O-N 3.27Å; R5-K9 WeakPolarHBondContact O-CB 3.48Å; R5-K9 WeakPolarHBondContact O-CG 3.39Å; R5-K9 PolarHBondContact O-N 3.13Å
6R62.1Low60.8Low181 Ų181134.8 Ų134.868%0.68362%0.623SS**Hα-helixtrans-64.2-40.3174.6-73.1175.2-178.3-108.90.5112.4A2 E3 R10A2-R6 WeakPolarHBondContact O-CG 3.32Å; A2-R6 PolarHBondContact O-N 3.31Å; E3-R6 PolarHBondContact O-N 2.84Å; E3-R6 VanDerWaalsContact O-N 3.16Å; R6-R10 VanDerWaalsContact O-CB 3.32Å; R6-R10 WeakPolarHBondContact O-CB 3.39Å; R6-R10 PolarHBondContact O-N 2.65Å
7H60.3Low61.9Low106 Ų106129.2 Ų129.249%0.49160%0.602SS.*Hα-helixtrans-65-46.2176.2-168.569.5000111.3E3 R4 R10 I11E3-H7 WeakPolarHBondContact O-CB 3.45Å; E3-H7 PolarHBondContact O-N 3.3Å; R4-H7 PolarHBondContact O-N 3.3Å; H7-R10 PolarHBondContact O-N 3.19Å; H7-I11 VanDerWaalsContact CD2-CD1 3.45Å; H7-I11 WeakPolarHBondContact CD2-CD1 3.22Å; H7-I11 WeakPolarHBondContact NE2-CD1 3.5Å; H7-I11 WeakPolarHBondContact O-CG1 3.43Å; H7-I11 PolarHBondContact O-N 3.02Å
8K59.6Low63.3Low163 Ų163125.2 Ų125.271%0.70959%0.59SS**Hα-helixtrans-63.6-45177.8-168.5172.5-178.3-179.20112.6R4 R5 R10 I11 Q12R4-K8 WeakPolarHBondContact O-CB 3.44Å; R4-K8 PolarHBondContact O-N 3.14Å; R5-K8 PolarHBondContact O-N 3.27Å; K8-R10 VanDerWaalsContact C-N 3.29Å; K8-R10 PolarHBondContact O-N 3.11Å; K8-I11 PolarHBondContact O-N 3.48Å; K8-Q12 PolarHBondContact O-N 3.28Å; K8-Q12 VanDerWaalsContact O-N 3.17Å
9K60Low64.6Low149 Ų149128.5 Ų128.565%0.64860%0.602SS**Hα-helixtrans-60.4-38.2174.5-74.5-172.7176.9-166.40112.1R5 Q12 E13R5-K9 WeakPolarHBondContact O-CB 3.48Å; R5-K9 WeakPolarHBondContact O-CG 3.39Å; R5-K9 PolarHBondContact O-N 3.13Å; K9-Q12 WeakPolarHBondContact O-CB 3.41Å; K9-Q12 PolarHBondContact O-N 3.14Å; K9-E13 PolarHBondContact O-N 3.15Å
10R59.5Low65.7Low106 Ų106128 Ų12840%0.460%0.6SS.*Hα-helixtrans-75.1-36.1179.7-168.4178.5-59.3-147.4-3113.7R6 H7 K8 Q12 E13 V14R6-R10 VanDerWaalsContact O-CB 3.32Å; R6-R10 WeakPolarHBondContact O-CB 3.39Å; R6-R10 PolarHBondContact O-N 2.65Å; H7-R10 PolarHBondContact O-N 3.19Å; K8-R10 VanDerWaalsContact C-N 3.29Å; K8-R10 PolarHBondContact O-N 3.11Å; R10-Q12 PolarHBondContact O-N 3.27Å; R10-E13 PolarHBondContact O-N 3.2Å; R10-E13 VanDerWaalsContact O-N 3.16Å; R10-V14 HydrophobicContact CG-CG2 4.03Å; R10-V14 WeakPolarHBondContact O-CG2 3.3Å; R10-V14 PolarHBondContact O-N 2.6Å
11I60.9Low66.8Low69 Ų69122.7 Ų122.735%0.35458%0.575SS.*Hα-helixtrans-59.9-37.9171.6-70.3165000109.8H7 K8 E13 G15 E16H7-I11 VanDerWaalsContact CD2-CD1 3.45Å; H7-I11 WeakPolarHBondContact CD2-CD1 3.22Å; H7-I11 WeakPolarHBondContact NE2-CD1 3.5Å; H7-I11 WeakPolarHBondContact O-CG1 3.43Å; H7-I11 PolarHBondContact O-N 3.02Å; K8-I11 PolarHBondContact O-N 3.48Å; I11-E13 VanDerWaalsContact C-N 3.35Å; I11-G15 WeakPolarHBondContact O-CA 3.44Å; I11-G15 PolarHBondContact O-N 3.04Å; I11-E16 HydrophobicContact CG2-CG 4.27Å
12Q58.2Low68.7Low167 Ų167118.1 Ų118.178%0.7855%0.55SS*.Hα-helixtrans-66.4-33.8175.9-164.1168.331.300112.8K8 K9 R10K8-Q12 PolarHBondContact O-N 3.28Å; K8-Q12 VanDerWaalsContact O-N 3.17Å; K9-Q12 WeakPolarHBondContact O-CB 3.41Å; K9-Q12 PolarHBondContact O-N 3.14Å; R10-Q12 PolarHBondContact O-N 3.27Å
13E61.1Low70.2Confident166 Ų166116.9 Ų116.978%0.77654%0.54SS*.Hα-helixtrans-80.1-38.2177.2-74.8-179.7163.900114.5K9 R10 I11K9-E13 PolarHBondContact O-N 3.15Å; R10-E13 PolarHBondContact O-N 3.2Å; R10-E13 VanDerWaalsContact O-N 3.16Å; I11-E13 VanDerWaalsContact C-N 3.35Å
14V63.6Low71.7Confident53 Ų53108.9 Ų108.932%0.32150%0.502SS..Hα-helixtrans-101.9-11.7-169.2-174.80000112.6R10 K87 K88R10-V14 HydrophobicContact CG-CG2 4.03Å; R10-V14 WeakPolarHBondContact O-CG2 3.3Å; R10-V14 PolarHBondContact O-N 2.6Å; V14-K87 HydrophobicContact CG1-CB 4.34Å; V14-K88 HydrophobicContact CG1-CD 4.4Å; V14-K88 HydrophobicContact CG1-CG 3.57Å
15G70.1Confident73.1Confident37 Ų3798.6 Ų98.638%0.38146%0.463SS..  trans76.4157.1-175.300000112.7I11I11-G15 WeakPolarHBondContact O-CA 3.44Å; I11-G15 PolarHBondContact O-N 3.04Å
16E74.9Confident74.7Confident157 Ų15794.8 Ų94.873%0.73445%0.452SS*.PPolyproline II helixtrans-62.4144.2177.3-69.1-168.3162.400111.7I11 S18I11-E16 HydrophobicContact CG2-CG 4.27Å; E16-S18 PolarHBondContact O-N 3.3Å
17P80.8Confident76Confident41 Ų4188.9 Ų88.927%0.26643%0.43SS..PPolyproline II helixtrans-63.1124.1177.916.9-23.9000111.4E21 K22 K88 F90P17-E21 WeakPolarHBondContact CA-OE2 3.37Å; P17-K22 HydrophobicContact CB-CG 4.23Å; P17-K22 WeakPolarHBondContact O-CE 3.49Å; P17-K22 PolarHBondContact O-NZ 3.46Å; P17-K88 HydrophobicContact CB-CD 4.48Å; P17-F90 HydrophobicContact CB-CE2 3.72Å; P17-F90 HydrophobicContact CB-CZ 3.57Å; P17-F90 HydrophobicContact CG-CZ 4.33Å
18S87.1Confident77.4Confident56 Ų5683.9 Ų83.939%0.39241%0.406SS..PPolyproline II helixtrans-62.3156.3180176.40000111.2E16 E20 E21 K22E16-S18 PolarHBondContact O-N 3.3Å; S18-E20 PolarHBondContact O-N 3.23Å; S18-E20 PolarHBondContact OG-N 3.36Å; S18-E21 WeakPolarHBondContact CB-OE2 3.4Å; S18-E21 PolarHBondContact N-OE2 3.05Å; S18-E21 PolarHBondContact O-N 3.38Å; S18-K22 WeakPolarHBondContact O-CG 2.97Å; S18-K22 PolarHBondContact O-N 2.94Å
19K86.5Confident78.8Confident189 Ų18977.5 Ų77.582%0.82238%0.378SS*.Hα-helixtrans-58.4-37.6175.7-67.2180-177.6174.70111.5A23K19-A23 WeakPolarHBondContact O-CB 3.33Å; K19-A23 PolarHBondContact O-N 3.42Å
20E87.1Confident80.1Confident118 Ų11874.3 Ų74.355%0.55136%0.364SS*.Hα-helixtrans-67.3-43.7176.7-67.4179.6-179.200111.9S18 K22 A23 V24S18-E20 PolarHBondContact O-N 3.23Å; S18-E20 PolarHBondContact OG-N 3.36Å; E20-K22 PolarHBondContact O-N 3.47Å; E20-A23 WeakPolarHBondContact O-CB 3.47Å; E20-A23 PolarHBondContact O-N 2.98Å; E20-A23 VanDerWaalsContact O-N 3.11Å; E20-V24 WeakPolarHBondContact O-CG2 3.36Å; E20-V24 PolarHBondContact O-N 3.11Å
21E88.9Confident81.4Confident16 Ų1673.4 Ų73.48%0.07537%0.368CS..Hα-helixtrans-63.3-41.6177-67.2172.2146.300112P17 S18 A23 V24 A25 Y81 L85 K88P17-E21 WeakPolarHBondContact CA-OE2 3.37Å; S18-E21 WeakPolarHBondContact CB-OE2 3.4Å; S18-E21 PolarHBondContact N-OE2 3.05Å; S18-E21 PolarHBondContact O-N 3.38Å; E21-A23 VanDerWaalsContact C-N 3.32Å; E21-A23 PolarHBondContact O-N 3.2Å; E21-V24 PolarHBondContact O-N 3.04Å; E21-A25 VanDerWaalsContact O-CB 3.26Å; E21-A25 WeakPolarHBondContact O-CB 3.25Å; E21-A25 PolarHBondContact O-N 2.83Å; E21-Y81 WeakPolarHBondContact CA-OH 3.14Å; E21-Y81 WeakPolarHBondContact CG-OH 3.29Å; E21-L85 HydrophobicContact CB-CD2 3.99Å; E21-L85 HydrophobicContact CG-CD2 4.42Å; E21-K88 IonicContact OE1-NZ 3.57Å; E21-K88 PolarHBondContact OE1-NZ 2.86Å; E21-K88 WeakPolarHBondContact OE2-CD 3.49Å; E21-K88 IonicContact OE2-NZ 3.54Å; E21-K88 PolarHBondContact OE2-NZ 2.99Å
22K89.4Confident82.7Confident86 Ų8670.4 Ų70.437%0.37435%0.352SS..Hα-helixtrans-62.1-40.1172.5-71.7172.5180163.50111.4P17 S18 E20 K26 F90P17-K22 HydrophobicContact CB-CG 4.23Å; P17-K22 WeakPolarHBondContact O-CE 3.49Å; P17-K22 PolarHBondContact O-NZ 3.46Å; S18-K22 WeakPolarHBondContact O-CG 2.97Å; S18-K22 PolarHBondContact O-N 2.94Å; E20-K22 PolarHBondContact O-N 3.47Å; K22-K26 WeakPolarHBondContact O-CB 3.42Å; K22-K26 PolarHBondContact O-N 3.18Å; K22-F90 HydrophobicContact CG-CE1 4.33Å; K22-F90 HydrophobicContact CG-CZ 4.03Å
23A89Confident84.1Confident41 Ų4166.1 Ų66.134%0.33934%0.339SS..Hα-helixtrans-66.6-43.6177.700000112.1K19 E20 E21 K26 Y27 W61K19-A23 WeakPolarHBondContact O-CB 3.33Å; K19-A23 PolarHBondContact O-N 3.42Å; E20-A23 WeakPolarHBondContact O-CB 3.47Å; E20-A23 PolarHBondContact O-N 2.98Å; E20-A23 VanDerWaalsContact O-N 3.11Å; E21-A23 VanDerWaalsContact C-N 3.32Å; E21-A23 PolarHBondContact O-N 3.2Å; A23-K26 PolarHBondContact O-N 2.99Å; A23-Y27 PolarHBondContact O-N 3.38Å; A23-W61 HydrophobicContact CB-CZ2 4.06Å; A23-W61 WeakPolarHBondContact O-CH2 3.38Å
24V89.4Confident85.4Confident0 Ų061 Ų610%032%0.319CS..Hα-helixtrans-62.7-48174.9174.20000110.6E20 E21 K26 Y27 L28 L56 W61 F72 Y81 L85E20-V24 WeakPolarHBondContact O-CG2 3.36Å; E20-V24 PolarHBondContact O-N 3.11Å; E21-V24 PolarHBondContact O-N 3.04Å; V24-K26 VanDerWaalsContact C-N 3.33Å; V24-K26 PolarHBondContact O-N 3.35Å; V24-Y27 PolarHBondContact O-N 3.26Å; V24-L28 WeakPolarHBondContact O-CB 3.43Å; V24-L28 PolarHBondContact O-N 3.05Å; V24-L56 HydrophobicContact CG1-CD2 3.69Å; V24-W61 HydrophobicContact CB-CH2 4.37Å; V24-W61 HydrophobicContact CB-CZ3 4.42Å; V24-W61 HydrophobicContact CG2-CD2 3.76Å; V24-W61 HydrophobicContact CG2-CE3 3.96Å; V24-W61 HydrophobicContact CG2-CG 4.35Å; V24-W61 HydrophobicContact CG2-CH2 4.03Å; V24-W61 HydrophobicContact CG2-CZ2 3.77Å; V24-W61 HydrophobicContact CG2-CZ3 4.11Å; V24-F72 HydrophobicContact CG1-CE2 4.41Å; V24-F72 HydrophobicContact CG1-CZ 4.05Å; V24-Y81 HydrophobicContact CB-CE1 4.15Å; V24-Y81 HydrophobicContact CG1-CD1 4.43Å; V24-Y81 HydrophobicContact CG1-CE1 3.77Å; V24-Y81 HydrophobicContact CG2-CE1 4.34Å; V24-L85 HydrophobicContact CG1-CD1 4.35Å
25A90.1Very high86.5Confident0 Ų064 Ų640%033%0.328CS..Hα-helixtrans-62.3-39.5177.400000112.2E21 L28 R29 F90 Y189E21-A25 VanDerWaalsContact O-CB 3.26Å; E21-A25 WeakPolarHBondContact O-CB 3.25Å; E21-A25 PolarHBondContact O-N 2.83Å; A25-L28 PolarHBondContact O-N 2.99Å; A25-R29 WeakPolarHBondContact O-CB 3.43Å; A25-R29 PolarHBondContact O-N 3.22Å; A25-F90 HydrophobicContact CB-CD1 3.29Å; A25-F90 HydrophobicContact CB-CE1 3.46Å; A25-F90 VanDerWaalsContact CB-CE1 3.46Å; A25-F90 HydrophobicContact CB-CG 3.97Å; A25-F90 HydrophobicContact CB-CZ 4.23Å; A25-Y189 HydrophobicContact CB-CD1 4.02Å; A25-Y189 HydrophobicContact CB-CE1 4.14Å
26K89.6Confident87.2Confident90 Ų9065.6 Ų65.639%0.39133%0.333SS..Hα-helixtrans-62.8-44.6174.8-175179.2-178.7177.60111.7K22 A23 V24 R29 F30 Y189 P191K22-K26 WeakPolarHBondContact O-CB 3.42Å; K22-K26 PolarHBondContact O-N 3.18Å; A23-K26 PolarHBondContact O-N 2.99Å; V24-K26 VanDerWaalsContact C-N 3.33Å; V24-K26 PolarHBondContact O-N 3.35Å; K26-R29 PolarHBondContact O-N 3.49Å; K26-F30 HydrophobicContact CD-CE2 4.33Å; K26-F30 HydrophobicContact CG-CD2 3.81Å; K26-F30 HydrophobicContact CG-CE2 3.57Å; K26-F30 WeakPolarHBondContact O-CD2 3.41Å; K26-F30 PolarHBondContact O-N 3.01Å; K26-Y189 HydrophobicContact CB-CE1 4.31Å; K26-P191 HydrophobicContact CG-CB 4.17Å; K26-P191 HydrophobicContact CG-CG 4.22Å
27Y89.3Confident87.7Confident57 Ų5759.5 Ų59.522%0.22431%0.307CS..Hα-helixtrans-62.2-45.6174.8174.5-90.1000111.2A23 V24 R29 F30 N31 C55 L56 S59 W61A23-Y27 PolarHBondContact O-N 3.38Å; V24-Y27 PolarHBondContact O-N 3.26Å; Y27-R29 VanDerWaalsContact C-N 3.3Å; Y27-R29 PolarHBondContact O-N 3.33Å; Y27-F30 PolarHBondContact O-N 2.62Å; Y27-N31 HydrophobicContact CD1-CB 4.5Å; Y27-N31 HydrophobicContact CE1-CB 4.2Å; Y27-N31 HydrophobicContact CE2-CB 4.35Å; Y27-N31 WeakPolarHBondContact CE2-ND2 3.47Å; Y27-N31 VanDerWaalsContact CZ-ND2 3.26Å; Y27-N31 WeakPolarHBondContact O-CB 3.36Å; Y27-N31 PolarHBondContact O-N 2.77Å; Y27-N31 PolarHBondContact OH-ND2 3.3Å; Y27-C55 WeakPolarHBondContact CE1-O 3.33Å; Y27-L56 HydrophobicContact CD1-CD2 4.41Å; Y27-S59 VanDerWaalsContact CE1-CB 3.47Å; Y27-W61 VanDerWaalsContact CB-CZ3 3.45Å; Y27-W61 HydrophobicContact CD1-CE3 4.49Å; Y27-W61 AromaticContact CD1-CZ3 3.68Å; Y27-W61 HydrophobicContact CD1-CZ3 3.68Å; Y27-W61 HydrophobicContact CD2-CH2 4.49Å; Y27-W61 HydrophobicContact CD2-CZ3 4.09Å; Y27-W61 HydrophobicContact CE1-CZ3 4.45Å; Y27-W61 AromaticContact CG-CH2 4Å; Y27-W61 HydrophobicContact CG-CH2 4Å; Y27-W61 AromaticContact CG-CZ3 3.48Å; Y27-W61 HydrophobicContact CG-CZ3 3.48Å; Y27-W61 VanDerWaalsContact CG-CZ3 3.48Å
28L90.1Very high87.7Confident0 Ų061 Ų610%031%0.313CS..Hα-helixtrans-61.8-39.7179.1-169.263000111.6V24 A25 F30 C32 A52 C55 L56 F91 W187V24-L28 WeakPolarHBondContact O-CB 3.43Å; V24-L28 PolarHBondContact O-N 3.05Å; A25-L28 PolarHBondContact O-N 2.99Å; L28-F30 PolarHBondContact O-N 2.84Å; L28-C32 HydrophobicContact CD1-CB 3.96Å; L28-C32 HydrophobicContact CG-CB 4.37Å; L28-C32 WeakPolarHBondContact O-CB 3.18Å; L28-C32 PolarHBondContact O-N 2.94Å; L28-A52 HydrophobicContact CD1-CB 3.81Å; L28-A52 HydrophobicContact CD2-CB 4.22Å; L28-A52 HydrophobicContact CG-CB 4.45Å; L28-C55 HydrophobicContact CD1-CB 4.33Å; L28-L56 HydrophobicContact CD1-CD1 4.4Å; L28-L56 HydrophobicContact CD1-CD2 4.2Å; L28-L56 HydrophobicContact CD1-CG 3.96Å; L28-L56 HydrophobicContact CD2-CD1 4.37Å; L28-F91 HydrophobicContact CD2-CE1 4.5Å; L28-W187 HydrophobicContact CB-CH2 3.85Å; L28-W187 HydrophobicContact CB-CZ2 4.42Å; L28-W187 HydrophobicContact CD2-CH2 3.66Å; L28-W187 HydrophobicContact CD2-CZ2 4.26Å; L28-W187 HydrophobicContact CG-CH2 3.59Å; L28-W187 HydrophobicContact CG-CZ2 3.9Å
29R88.8Confident87.1Confident29 Ų2959.3 Ų59.311%0.10930%0.299CS..Hα-helixtrans-61.6-39.2177.1-178.868.5169.4134.12.1113.1A25 K26 Y27 D45 W187 D190 P191A25-R29 WeakPolarHBondContact O-CB 3.43Å; A25-R29 PolarHBondContact O-N 3.22Å; K26-R29 PolarHBondContact O-N 3.49Å; Y27-R29 VanDerWaalsContact C-N 3.3Å; Y27-R29 PolarHBondContact O-N 3.33Å; R29-D45 IonicContact CZ-OD2 2.63Å; R29-D45 IonicContact NH1-OD2 2.66Å; R29-D45 PolarHBondContact NH1-OD2 3.41Å; R29-D45 IonicContact NH2-OD2 3.99Å; R29-D45 PolarHBondContact NH2-OD2 3.32Å; R29-W187 HydrophobicContact CB-CH2 4.42Å; R29-W187 HydrophobicContact CB-CZ2 4.49Å; R29-W187 VanDerWaalsContact NH1-CD1 3.32Å; R29-D190 IonicContact CZ-OD1 3.51Å; R29-D190 IonicContact NE-OD1 2.86Å; R29-D190 IonicContact NH2-OD1 3.65Å; R29-D190 PolarHBondContact NH2-OD1 3.05Å; R29-P191 HydrophobicContact CB-CG 4.21Å; R29-P191 HydrophobicContact CG-CG 3.88Å
30F86.9Confident86.4Confident83 Ų8357 Ų5736%0.36429%0.293SS..Hα-helixtrans-92.3-28-175.3-67.4-52.7000114.2K26 Y27 L28 P191 H193K26-F30 HydrophobicContact CD-CE2 4.33Å; K26-F30 HydrophobicContact CG-CD2 3.81Å; K26-F30 HydrophobicContact CG-CE2 3.57Å; K26-F30 WeakPolarHBondContact O-CD2 3.41Å; K26-F30 PolarHBondContact O-N 3.01Å; Y27-F30 PolarHBondContact O-N 2.62Å; L28-F30 PolarHBondContact O-N 2.84Å; F30-P191 HydrophobicContact CE2-CB 4.29Å; F30-P191 HydrophobicContact CE2-CG 3.79Å; F30-P191 HydrophobicContact CZ-CB 4.29Å; F30-P191 HydrophobicContact CZ-CG 3.71Å; F30-H193 AromaticContact CD1-CD2 3.91Å; F30-H193 AromaticContact CE1-CD2 3.36Å; F30-H193 WeakPolarHBondContact CE1-CD2 3.08Å; F30-H193 HydrophobicContact CZ-CB 4.39Å; F30-H193 AromaticContact CZ-CD2 3.56Å
31N88.6Confident85.9Confident87 Ų8754 Ų5447%0.46529%0.293SS..Hα-helixtrans-101.1-23.5-175.8-70.928000113.1Y27Y27-N31 HydrophobicContact CD1-CB 4.5Å; Y27-N31 HydrophobicContact CE1-CB 4.2Å; Y27-N31 HydrophobicContact CE2-CB 4.35Å; Y27-N31 WeakPolarHBondContact CE2-ND2 3.47Å; Y27-N31 VanDerWaalsContact CZ-ND2 3.26Å; Y27-N31 WeakPolarHBondContact O-CB 3.36Å; Y27-N31 PolarHBondContact O-N 2.77Å; Y27-N31 PolarHBondContact OH-ND2 3.3Å
32C87.9Confident85.4Confident5 Ų559.9 Ų59.93%0.03432%0.32CS..SBendtrans-75137176.1-172.50000110.9L28 T34L28-C32 HydrophobicContact CD1-CB 3.96Å; L28-C32 HydrophobicContact CG-CB 4.37Å; L28-C32 WeakPolarHBondContact O-CB 3.18Å; L28-C32 PolarHBondContact O-N 2.94Å; C32-T34 PolarHBondContact O-N 3.4Å
33P86.8Confident85.1Confident78 Ų7865.6 Ų65.651%0.50634%0.339SS..  trans-60.9109.5172.1-23.834.1000111.8K51P33-K51 HydrophobicContact CB-CD 4.35Å; P33-K51 HydrophobicContact CG-CD 4.29Å
34T89Confident85Confident58 Ų5864.9 Ų64.936%0.35633%0.331SS..  trans-102.9148.9177.351.80000112.2C32 Y46 F47C32-T34 PolarHBondContact O-N 3.4Å; T34-Y46 WeakPolarHBondContact CA-O 3.4Å; T34-F47 HydrophobicContact CG2-CB 4.43Å
35K86.4Confident85Confident117 Ų11766.8 Ų66.851%0.50934%0.341SS..EExtended strand (participates in β ladder)trans-125137.2172.9-68.3179.9-179.9-178.60109.3D45 Y46K35-D45 WeakPolarHBondContact O-CA 3.47Å; K35-Y46 HydrophobicContact CB-CD1 4.15Å; K35-Y46 HydrophobicContact CB-CE1 3.53Å; K35-Y46 HydrophobicContact CB-CE2 4.1Å; K35-Y46 HydrophobicContact CD-CE2 4.3Å; K35-Y46 WeakPolarHBondContact CD-OH 3.49Å; K35-Y46 PolarHBondContact N-O 3.46Å; K35-Y46 WeakPolarHBondContact O-CD1 3.44Å; K35-Y46 WeakPolarHBondContact O-CE1 3.2Å; K35-Y46 PolarHBondContact O-N 2.86Å
36S85.6Confident85.1Confident69 Ų6968 Ų6848%0.48335%0.345SS..EExtended strand (participates in β ladder)trans-87.1137.8174-48.30000111.1V44 D45S36-V44 WeakPolarHBondContact CA-O 3.36Å; S36-D45 WeakPolarHBondContact CA-OD1 3.12Å; S36-D45 VanDerWaalsContact CB-OD1 3.28Å; S36-D45 WeakPolarHBondContact CB-OD1 3.34Å; S36-D45 PolarHBondContact OG-OD1 3.48Å
37T83.9Confident85.2Confident30 Ų3063.7 Ų63.718%0.18433%0.327CS..EExtended strand (participates in β ladder)trans-139.2174.8172.4-168.30000110.1R43 V44 Y46 L170T37-R43 CarbonylContact O-C 3.39Å; T37-R43 WeakPolarHBondContact O-CA 3.48Å; T37-V44 HydrophobicContact CG2-CG2 3.82Å; T37-V44 PolarHBondContact N-O 3.11Å; T37-V44 PolarHBondContact O-N 3.4Å; T37-V44 VanDerWaalsContact O-O 3.07Å; T37-Y46 HydrophobicContact CG2-CD1 3.51Å; T37-Y46 HydrophobicContact CG2-CE1 3.84Å; T37-L170 HydrophobicContact CG2-CD1 3.66Å; T37-L170 HydrophobicContact CG2-CD2 3.75Å; T37-L170 HydrophobicContact CG2-CG 4.21Å
38N81Confident85.3Confident73 Ų7362.4 Ų62.439%0.3932%0.323SS..EExtended strand (participates in β ladder)trans-105.5119.8170.8-171.8-45.7000109G41 H42N38-G41 PolarHBondContact ND2-O 2.82Å; N38-G41 VanDerWaalsContact ND2-O 3.14Å; N38-G41 WeakPolarHBondContact OD1-CA 3.17Å; N38-G41 PolarHBondContact OD1-N 2.87Å; N38-H42 CarbonylContact C-O 3.46Å; N38-H42 VanDerWaalsContact CA-O 3.31Å; N38-H42 WeakPolarHBondContact CA-O 3.26Å; N38-H42 PolarHBondContact OD1-N 3.26Å; N38-H42 PolarHBondContact OD1-O 3.01Å
39M74.5Confident85.3Confident19 Ų1962.4 Ų62.49%0.09432%0.323CS..EExtended strand (participates in β ladder)trans-117.9126.3174.1-169.3175.578.500108.1G41 H42 V44 H92 L170 V186M39-G41 PolarHBondContact O-N 3.25Å; M39-H42 PolarHBondContact N-O 3.05Å; M39-H42 PolarHBondContact O-N 3.42Å; M39-V44 HydrophobicContact CB-CG1 4.3Å; M39-V44 HydrophobicContact CB-CG2 3.48Å; M39-V44 VanDerWaalsContact CB-CG2 3.48Å; M39-H92 WeakPolarHBondContact CE-CE1 3.43Å; M39-H92 VanDerWaalsContact CE-NE2 3.29Å; M39-H92 WeakPolarHBondContact CE-NE2 3.32Å; M39-L170 HydrophobicContact CB-CB 4.26Å; M39-L170 HydrophobicContact CG-CB 3.92Å; M39-L170 WeakPolarHBondContact CG-O 3.39Å; M39-L170 HydrophobicContact SD-CB 3.81Å; M39-V186 HydrophobicContact CE-CG1 4.45Å; M39-V186 HydrophobicContact SD-CG2 4.17Å
40M72.7Confident85.5Confident142 Ų14262.4 Ų62.470%0.733%0.328SS*.THydrogen-bonded Turntrans51.726.6179.4-59.8176.169.400115.6
41G75.3Confident85.7Confident54 Ų5462.7 Ų62.756%0.55733%0.329SS*.THydrogen-bonded Turntrans99.4-21.2-179.800000113.7N38 M39N38-G41 PolarHBondContact ND2-O 2.82Å; N38-G41 VanDerWaalsContact ND2-O 3.14Å; N38-G41 WeakPolarHBondContact OD1-CA 3.17Å; N38-G41 PolarHBondContact OD1-N 2.87Å; M39-G41 PolarHBondContact O-N 3.25Å
42H80.1Confident85.8Confident140 Ų14058.5 Ų58.565%0.64831%0.307SS*.EExtended strand (participates in β ladder)trans-94.4142.9179.8-61.2-78.5000111.6N38 M39 V44N38-H42 CarbonylContact C-O 3.46Å; N38-H42 VanDerWaalsContact CA-O 3.31Å; N38-H42 WeakPolarHBondContact CA-O 3.26Å; N38-H42 PolarHBondContact OD1-N 3.26Å; N38-H42 PolarHBondContact OD1-O 3.01Å; M39-H42 PolarHBondContact N-O 3.05Å; M39-H42 PolarHBondContact O-N 3.42Å; H42-V44 HydrophobicContact CB-CG1 4.46Å; H42-V44 PolarHBondContact O-N 3.15Å
43R82.6Confident86Confident206 Ų20658.3 Ų58.378%0.77731%0.305SS*.EExtended strand (participates in β ladder)trans-72.7122.3169.2-71.7-172.565.6-176.3-3.5108.3T37T37-R43 CarbonylContact O-C 3.39Å; T37-R43 WeakPolarHBondContact O-CA 3.48Å
44V86.6Confident86.2Confident26 Ų2657.8 Ų57.816%0.15830%0.299CS..EExtended strand (participates in β ladder)trans-128.9146178.8-58.40000109.8S36 T37 M39 H42 V186S36-V44 WeakPolarHBondContact CA-O 3.36Å; T37-V44 HydrophobicContact CG2-CG2 3.82Å; T37-V44 PolarHBondContact N-O 3.11Å; T37-V44 PolarHBondContact O-N 3.4Å; T37-V44 VanDerWaalsContact O-O 3.07Å; M39-V44 HydrophobicContact CB-CG1 4.3Å; M39-V44 HydrophobicContact CB-CG2 3.48Å; M39-V44 VanDerWaalsContact CB-CG2 3.48Å; H42-V44 HydrophobicContact CB-CG1 4.46Å; H42-V44 PolarHBondContact O-N 3.15Å; V44-V186 HydrophobicContact CB-CG1 3.65Å; V44-V186 HydrophobicContact CG1-CG1 4.26Å; V44-V186 HydrophobicContact CG2-CG1 3.79Å; V44-V186 HydrophobicContact CG2-CG2 4.45Å
45D90.3Very high86.3Confident39 Ų3955.7 Ų55.721%0.20929%0.286CS..EExtended strand (participates in β ladder)trans-96.1135.2173.5-67-29.9000110R29 K35 S36 W187R29-D45 IonicContact CZ-OD2 2.63Å; R29-D45 IonicContact NH1-OD2 2.66Å; R29-D45 PolarHBondContact NH1-OD2 3.41Å; R29-D45 IonicContact NH2-OD2 3.99Å; R29-D45 PolarHBondContact NH2-OD2 3.32Å; K35-D45 WeakPolarHBondContact O-CA 3.47Å; S36-D45 WeakPolarHBondContact CA-OD1 3.12Å; S36-D45 VanDerWaalsContact CB-OD1 3.28Å; S36-D45 WeakPolarHBondContact CB-OD1 3.34Å; S36-D45 PolarHBondContact OG-OD1 3.48Å; D45-W187 PolarHBondContact O-N 2.96Å
46Y90.3Very high86.5Confident25 Ų2550.1 Ų50.110%0.09826%0.262CS..EExtended strand (participates in β ladder)trans-125.8157.4177.374.5-87.8000111.7T34 K35 T37 L170 V184 Y185T34-Y46 WeakPolarHBondContact CA-O 3.4Å; K35-Y46 HydrophobicContact CB-CD1 4.15Å; K35-Y46 HydrophobicContact CB-CE1 3.53Å; K35-Y46 HydrophobicContact CB-CE2 4.1Å; K35-Y46 HydrophobicContact CD-CE2 4.3Å; K35-Y46 WeakPolarHBondContact CD-OH 3.49Å; K35-Y46 PolarHBondContact N-O 3.46Å; K35-Y46 WeakPolarHBondContact O-CD1 3.44Å; K35-Y46 WeakPolarHBondContact O-CE1 3.2Å; K35-Y46 PolarHBondContact O-N 2.86Å; T37-Y46 HydrophobicContact CG2-CD1 3.51Å; T37-Y46 HydrophobicContact CG2-CE1 3.84Å; Y46-L170 HydrophobicContact CD1-CD2 4.2Å; Y46-L170 HydrophobicContact CG-CD2 4.1Å; Y46-V184 HydrophobicContact CD2-CG1 3.38Å; Y46-V184 HydrophobicContact CD2-CG2 4.41Å; Y46-V184 HydrophobicContact CE2-CG1 4.19Å; Y46-V184 HydrophobicContact CG-CG1 3.82Å; Y46-Y185 CarbonylContact C-O 3.54Å; Y46-Y185 WeakPolarHBondContact CA-O 3.47Å; Y46-Y185 VanDerWaalsContact CB-O 3.3Å; Y46-Y185 WeakPolarHBondContact CB-O 3.47Å
47F92.5Very high86.7Confident1 Ų149.4 Ų49.40%0.00425%0.252CS..EExtended strand (participates in β ladder)trans-132.4169.6174.967.5-82.9000110.4T34 A52 F91 F178 V184 Y185 W187T34-F47 HydrophobicContact CG2-CB 4.43Å; F47-A52 HydrophobicContact CD2-CB 3.55Å; F47-A52 HydrophobicContact CE2-CB 3.48Å; F47-A52 VanDerWaalsContact CE2-CB 3.48Å; F47-F91 HydrophobicContact CE1-CB 3.84Å; F47-F91 HydrophobicContact CE1-CD1 4.18Å; F47-F91 HydrophobicContact CE1-CD2 4.36Å; F47-F91 AromaticContact CE1-CG 3.88Å; F47-F91 HydrophobicContact CE1-CG 3.88Å; F47-F91 HydrophobicContact CZ-CB 4.22Å; F47-F91 AromaticContact CZ-CD1 3.91Å; F47-F91 HydrophobicContact CZ-CD1 3.91Å; F47-F91 AromaticContact CZ-CD2 3.88Å; F47-F91 HydrophobicContact CZ-CD2 3.88Å; F47-F91 HydrophobicContact CZ-CE1 4.23Å; F47-F91 HydrophobicContact CZ-CE2 4.19Å; F47-F91 AromaticContact CZ-CG 3.73Å; F47-F91 HydrophobicContact CZ-CG 3.73Å; F47-F91 HydrophobicContact CZ-CZ 4.36Å; F47-F178 HydrophobicContact CE2-CE2 4.4Å; F47-V184 WeakPolarHBondContact O-CA 3.35Å; F47-Y185 VanDerWaalsContact CD1-O 3.29Å; F47-Y185 WeakPolarHBondContact CD1-O 3.29Å; F47-Y185 VanDerWaalsContact CE1-CB 3.49Å; F47-Y185 HydrophobicContact CE2-CD2 4.38Å; F47-Y185 HydrophobicContact CE2-CG 4.34Å; F47-Y185 VanDerWaalsContact CZ-CB 3.42Å; F47-Y185 HydrophobicContact CZ-CG 4.14Å; F47-Y185 PolarHBondContact N-O 2.94Å; F47-Y185 PolarHBondContact O-N 3.39Å; F47-W187 AromaticContact CD1-CD1 3.77Å; F47-W187 AromaticContact CD1-CD2 3.91Å; F47-W187 HydrophobicContact CD1-CD2 3.91Å; F47-W187 AromaticContact CD1-CE2 3.27Å; F47-W187 HydrophobicContact CD1-CG 4.2Å; F47-W187 HydrophobicContact CD1-CH2 4.46Å; F47-W187 AromaticContact CD1-CZ2 3.6Å; F47-W187 HydrophobicContact CD1-CZ2 3.6Å; F47-W187 AromaticContact CD1-NE1 3.2Å; F47-W187 AromaticContact CE1-CD2 3.8Å; F47-W187 HydrophobicContact CE1-CD2 3.8Å; F47-W187 AromaticContact CE1-CE2 3.46Å; F47-W187 VanDerWaalsContact CE1-CE2 3.46Å; F47-W187 HydrophobicContact CE1-CE3 4.18Å; F47-W187 HydrophobicContact CE1-CG 4.39Å; F47-W187 AromaticContact CE1-CH2 3.98Å; F47-W187 HydrophobicContact CE1-CH2 3.98Å; F47-W187 AromaticContact CE1-CZ2 3.56Å; F47-W187 HydrophobicContact CE1-CZ2 3.56Å; F47-W187 HydrophobicContact CE1-CZ3 4.27Å; F47-W187 AromaticContact CE1-NE1 3.88Å; F47-W187 HydrophobicContact CG-CZ2 4.16Å; F47-W187 AromaticContact CG-NE1 3.93Å; F47-W187 HydrophobicContact CZ-CH2 4.29Å; F47-W187 HydrophobicContact CZ-CZ2 4.13Å
48I91.4Very high86.9Confident29 Ų2953 Ų5315%0.14927%0.271CS..EExtended strand (participates in β ladder)trans-106.2135.9178.3-59.8171.9000108S50 K51 A52 E183I48-S50 PolarHBondContact O-N 3.36Å; I48-K51 HydrophobicContact CB-CG 4.39Å; I48-K51 PolarHBondContact O-N 3.3Å; I48-A52 PolarHBondContact O-N 3.46Å; I48-A52 VanDerWaalsContact O-N 3.17Å; I48-E183 WeakPolarHBondContact CA-O 3.14Å
49A91.1Very high87.2Confident0 Ų049.6 Ų49.60%025%0.252CS..Hα-helixtrans-54.6-50.1-176.800000113.5K51 A52 V53 F178 L179 E183 Y185A49-K51 VanDerWaalsContact C-N 3.28Å; A49-K51 PolarHBondContact O-N 2.95Å; A49-A52 WeakPolarHBondContact O-CB 3.4Å; A49-A52 PolarHBondContact O-N 3.01Å; A49-V53 WeakPolarHBondContact O-CG2 2.95Å; A49-V53 PolarHBondContact O-N 3.28Å; A49-F178 HydrophobicContact CB-CE1 4.32Å; A49-F178 HydrophobicContact CB-CE2 3.99Å; A49-F178 HydrophobicContact CB-CZ 3.7Å; A49-L179 WeakPolarHBondContact CB-O 3.38Å; A49-E183 HydrophobicContact CB-CB 4.36Å; A49-E183 PolarHBondContact N-O 3.35Å; A49-Y185 HydrophobicContact CB-CD2 3.98Å; A49-Y185 HydrophobicContact CB-CE2 3.54Å
50S91.4Very high87.7Confident30 Ų3055.8 Ų55.821%0.2128%0.279CS..Hα-helixtrans-53.9-44.7-178.857.10000112.8I48 A52 V53 D54 G181I48-S50 PolarHBondContact O-N 3.36Å; S50-A52 VanDerWaalsContact C-N 3.34Å; S50-A52 PolarHBondContact O-N 3.17Å; S50-V53 PolarHBondContact O-N 3.01Å; S50-D54 PolarHBondContact O-N 3.3Å; S50-G181 WeakPolarHBondContact CB-O 3.29Å; S50-G181 PolarHBondContact N-O 2.74Å; S50-G181 PolarHBondContact OG-O 3.09Å
51K91.2Very high88.3Confident88 Ų8850.7 Ų50.738%0.38325%0.252SS..Hα-helixtrans-67.2-34.6178.4-61.2-167.9176.7-162.30113.1P33 I48 A49 C55P33-K51 HydrophobicContact CB-CD 4.35Å; P33-K51 HydrophobicContact CG-CD 4.29Å; I48-K51 HydrophobicContact CB-CG 4.39Å; I48-K51 PolarHBondContact O-N 3.3Å; A49-K51 VanDerWaalsContact C-N 3.28Å; A49-K51 PolarHBondContact O-N 2.95Å; K51-C55 VanDerWaalsContact O-CB 3.25Å; K51-C55 WeakPolarHBondContact O-CB 3.39Å; K51-C55 PolarHBondContact O-N 3.44Å
52A91.4Very high88.6Confident0 Ų049.2 Ų49.20%023%0.234CC..Hα-helixtrans-68-41.2175.700000111.4L28 F47 I48 A49 S50 C55 L56L28-A52 HydrophobicContact CD1-CB 3.81Å; L28-A52 HydrophobicContact CD2-CB 4.22Å; L28-A52 HydrophobicContact CG-CB 4.45Å; F47-A52 HydrophobicContact CD2-CB 3.55Å; F47-A52 HydrophobicContact CE2-CB 3.48Å; F47-A52 VanDerWaalsContact CE2-CB 3.48Å; I48-A52 PolarHBondContact O-N 3.46Å; I48-A52 VanDerWaalsContact O-N 3.17Å; A49-A52 WeakPolarHBondContact O-CB 3.4Å; A49-A52 PolarHBondContact O-N 3.01Å; S50-A52 VanDerWaalsContact C-N 3.34Å; S50-A52 PolarHBondContact O-N 3.17Å; A52-C55 PolarHBondContact O-N 3.24Å; A52-L56 WeakPolarHBondContact O-CG 3.32Å; A52-L56 PolarHBondContact O-N 3.34Å
53V91.7Very high88.4Confident0 Ų049.1 Ų49.10%023%0.232CC..Hα-helixtrans-62.7-48.4176.4175.40000110.8A49 S50 C55 L56 L57 R75 V78 V79 F178A49-V53 WeakPolarHBondContact O-CG2 2.95Å; A49-V53 PolarHBondContact O-N 3.28Å; S50-V53 PolarHBondContact O-N 3.01Å; V53-C55 VanDerWaalsContact C-N 3.31Å; V53-C55 PolarHBondContact O-N 3.41Å; V53-L56 PolarHBondContact O-N 2.95Å; V53-L57 HydrophobicContact CG1-CD1 4.15Å; V53-L57 WeakPolarHBondContact O-CG 3.49Å; V53-L57 PolarHBondContact O-N 2.63Å; V53-R75 HydrophobicContact CG1-CG 3.47Å; V53-R75 VanDerWaalsContact CG1-CG 3.47Å; V53-V78 HydrophobicContact CB-CG1 4.28Å; V53-V78 HydrophobicContact CG1-CB 4.21Å; V53-V78 HydrophobicContact CG1-CG1 4.02Å; V53-V78 HydrophobicContact CG2-CG1 4.17Å; V53-V79 HydrophobicContact CG2-CG2 4.41Å; V53-F178 HydrophobicContact CG2-CE1 3.67Å; V53-F178 HydrophobicContact CG2-CZ 3.95Å
54D91.7Very high87.6Confident68 Ų6842.8 Ų42.836%0.36422%0.223SC..Hα-helixtrans-60-42.3177.7-59.6-25.2000111.1S50 L56 L57 D58 R75S50-D54 PolarHBondContact O-N 3.3Å; D54-L56 VanDerWaalsContact C-N 3.34Å; D54-L56 PolarHBondContact O-N 3.28Å; D54-L57 PolarHBondContact O-N 2.97Å; D54-D58 PolarHBondContact O-N 2.81Å; D54-R75 IonicContact OD1-CZ 3.29Å; D54-R75 IonicContact OD1-NH1 2.83Å; D54-R75 PolarHBondContact OD1-NH1 3.03Å; D54-R75 IonicContact OD1-NH2 3.72Å
55C90.8Very high86.3Confident14 Ų1449.3 Ų49.310%0.09525%0.25CC..Hα-helixtrans-62-37.5177.2-175.90000113.2Y27 L28 K51 A52 V53 D58 S59Y27-C55 WeakPolarHBondContact CE1-O 3.33Å; L28-C55 HydrophobicContact CD1-CB 4.33Å; K51-C55 VanDerWaalsContact O-CB 3.25Å; K51-C55 WeakPolarHBondContact O-CB 3.39Å; K51-C55 PolarHBondContact O-N 3.44Å; A52-C55 PolarHBondContact O-N 3.24Å; V53-C55 VanDerWaalsContact C-N 3.31Å; V53-C55 PolarHBondContact O-N 3.41Å; C55-D58 PolarHBondContact O-N 3.24Å; C55-S59 PolarHBondContact O-N 3.01Å
56L90.2Very high84.1Confident0 Ų058.2 Ų58.20%029%0.287CS..Hα-helixtrans-73-33.8175.8-71176000112.2V24 Y27 L28 A52 V53 D54 D58 S59 F72 V78V24-L56 HydrophobicContact CG1-CD2 3.69Å; Y27-L56 HydrophobicContact CD1-CD2 4.41Å; L28-L56 HydrophobicContact CD1-CD1 4.4Å; L28-L56 HydrophobicContact CD1-CD2 4.2Å; L28-L56 HydrophobicContact CD1-CG 3.96Å; L28-L56 HydrophobicContact CD2-CD1 4.37Å; A52-L56 WeakPolarHBondContact O-CG 3.32Å; A52-L56 PolarHBondContact O-N 3.34Å; V53-L56 PolarHBondContact O-N 2.95Å; D54-L56 VanDerWaalsContact C-N 3.34Å; D54-L56 PolarHBondContact O-N 3.28Å; L56-D58 VanDerWaalsContact C-N 3.31Å; L56-S59 WeakPolarHBondContact O-CB 3.36Å; L56-S59 PolarHBondContact O-N 3.48Å; L56-S59 PolarHBondContact O-OG 2.84Å; L56-F72 HydrophobicContact CB-CD2 4.29Å; L56-F72 HydrophobicContact CB-CE2 4.22Å; L56-F72 HydrophobicContact CD1-CZ 4.45Å; L56-F72 HydrophobicContact CD2-CE2 4.06Å; L56-F72 HydrophobicContact CD2-CZ 4.39Å; L56-V78 HydrophobicContact CB-CG1 3.81Å; L56-V78 HydrophobicContact CD1-CG1 3.57Å; L56-V78 HydrophobicContact CG-CG1 4.31Å
57L89.8Confident82.5Confident54 Ų5461.1 Ų61.128%0.28332%0.324SS..Hα-helixtrans-68.7-28.6172.7-70.4172.6000112.7V53 D54 S59 A62 R75 V78V53-L57 HydrophobicContact CG1-CD1 4.15Å; V53-L57 WeakPolarHBondContact O-CG 3.49Å; V53-L57 PolarHBondContact O-N 2.63Å; D54-L57 PolarHBondContact O-N 2.97Å; L57-S59 VanDerWaalsContact C-N 3.26Å; L57-S59 PolarHBondContact O-N 2.66Å; L57-A62 WeakPolarHBondContact O-CB 3.39Å; L57-R75 HydrophobicContact CD1-CG 4.47Å; L57-V78 HydrophobicContact CD2-CG2 3.76Å; L57-V78 HydrophobicContact CG-CG2 4.09Å
58D87.9Confident80.9Confident106 Ų10668.2 Ų68.257%0.56736%0.357SS*.THydrogen-bonded Turntrans-78.8-12.8174.2-75.8-29.3000113.7D54 C55 L56 K63D54-D58 PolarHBondContact O-N 2.81Å; C55-D58 PolarHBondContact O-N 3.24Å; L56-D58 VanDerWaalsContact C-N 3.31Å; D58-K63 PolarHBondContact O-NZ 3.34Å
59S87.4Confident79.6Confident1 Ų175.8 Ų75.81%0.00739%0.392CS..SBendtrans-74.1168-171.282.50000113.8Y27 C55 L56 L57 W61 A62 K63Y27-S59 VanDerWaalsContact CE1-CB 3.47Å; C55-S59 PolarHBondContact O-N 3.01Å; L56-S59 WeakPolarHBondContact O-CB 3.36Å; L56-S59 PolarHBondContact O-N 3.48Å; L56-S59 PolarHBondContact O-OG 2.84Å; L57-S59 VanDerWaalsContact C-N 3.26Å; L57-S59 PolarHBondContact O-N 2.66Å; S59-W61 PolarHBondContact O-N 2.85Å; S59-W61 VanDerWaalsContact O-N 3.14Å; S59-W61 PolarHBondContact OG-N 3.07Å; S59-A62 PolarHBondContact O-N 3.33Å; S59-K63 PolarHBondContact O-N 3.25Å
60K85.8Confident78.8Confident148 Ų14877.2 Ų77.264%0.64340%0.404SS*.THydrogen-bonded Turntrans-60.8-18.2173.265.5174.9-175.81710114.2
61W83.9Confident78.1Confident35 Ų3579 Ų7913%0.13341%0.411CS..THydrogen-bonded Turntrans-88.1-13.8-178.6-62.5-69.8000113.1A23 V24 Y27 S59 L71 F72A23-W61 HydrophobicContact CB-CZ2 4.06Å; A23-W61 WeakPolarHBondContact O-CH2 3.38Å; V24-W61 HydrophobicContact CB-CH2 4.37Å; V24-W61 HydrophobicContact CB-CZ3 4.42Å; V24-W61 HydrophobicContact CG2-CD2 3.76Å; V24-W61 HydrophobicContact CG2-CE3 3.96Å; V24-W61 HydrophobicContact CG2-CG 4.35Å; V24-W61 HydrophobicContact CG2-CH2 4.03Å; V24-W61 HydrophobicContact CG2-CZ2 3.77Å; V24-W61 HydrophobicContact CG2-CZ3 4.11Å; Y27-W61 VanDerWaalsContact CB-CZ3 3.45Å; Y27-W61 HydrophobicContact CD1-CE3 4.49Å; Y27-W61 AromaticContact CD1-CZ3 3.68Å; Y27-W61 HydrophobicContact CD1-CZ3 3.68Å; Y27-W61 HydrophobicContact CD2-CH2 4.49Å; Y27-W61 HydrophobicContact CD2-CZ3 4.09Å; Y27-W61 HydrophobicContact CE1-CZ3 4.45Å; Y27-W61 AromaticContact CG-CH2 4Å; Y27-W61 HydrophobicContact CG-CH2 4Å; Y27-W61 AromaticContact CG-CZ3 3.48Å; Y27-W61 HydrophobicContact CG-CZ3 3.48Å; Y27-W61 VanDerWaalsContact CG-CZ3 3.48Å; S59-W61 PolarHBondContact O-N 2.85Å; S59-W61 VanDerWaalsContact O-N 3.14Å; S59-W61 PolarHBondContact OG-N 3.07Å; W61-L71 HydrophobicContact CB-CB 4.32Å; W61-L71 HydrophobicContact CB-CD1 4.27Å; W61-L71 HydrophobicContact CG-CD1 4.12Å; W61-L71 PolarHBondContact O-N 2.88Å; W61-L71 VanDerWaalsContact O-N 3.11Å; W61-F72 HydrophobicContact CB-CD2 3.52Å; W61-F72 HydrophobicContact CB-CE2 3.51Å; W61-F72 HydrophobicContact CE3-CE2 4.4Å; W61-F72 HydrophobicContact CG-CE2 4.23Å; W61-F72 PolarHBondContact O-N 2.86Å
62A82.4Confident77.7Confident23 Ų2375 Ų7519%0.1939%0.393CS..THydrogen-bonded Turntrans-93.8-33.6171.200000112.2L57 S59 A64 F72L57-A62 WeakPolarHBondContact O-CB 3.39Å; S59-A62 PolarHBondContact O-N 3.33Å; A62-A64 PolarHBondContact O-N 3.42Å; A62-A64 VanDerWaalsContact O-N 3.1Å; A62-F72 WeakPolarHBondContact CA-O 3.36Å; A62-F72 HydrophobicContact CB-CB 3.95Å
63K76.6Confident77.4Confident139 Ų13980 Ų8060%0.60442%0.424SS*.SBendtrans-81.190.1174.8-67.5170.5-178.3152.40109.1D58 S59 K65D58-K63 PolarHBondContact O-NZ 3.34Å; S59-K63 PolarHBondContact O-N 3.25Å; K63-K65 PolarHBondContact O-N 3.37Å
64A65.9Low77.2Confident72 Ų7283.3 Ų83.360%0.59544%0.444SS*.  trans-44.9114.5176.800000110.8A62 A70A62-A64 PolarHBondContact O-N 3.42Å; A62-A64 VanDerWaalsContact O-N 3.1Å; A64-A70 HydrophobicContact CB-CB 4.01Å
65K59.3Low77Confident164 Ų16484.6 Ų84.671%0.71344%0.444SS*.  trans-83.5135.8168.9-142.8177.1-176.2-175.30106.8K63 G67 E68K63-K65 PolarHBondContact O-N 3.37Å; K65-G67 PolarHBondContact O-N 3.41Å; K65-E68 PolarHBondContact O-N 2.87Å
66K43.7Very low77Confident226 Ų22691 Ų9198%0.98347%0.473SS*.THydrogen-bonded Turntrans-46.4102.3-176.8-128.1179.8-178-178.80110.4
67G55.6Low77Confident86 Ų8692.3 Ų92.389%0.88748%0.482SS*.THydrogen-bonded Turntrans108-6.5177.700000117.8K65K65-G67 PolarHBondContact O-N 3.41Å
68E59Low77Confident149 Ų14989.8 Ų89.870%0.69647%0.469SS*.SBendtrans-110.6130.7170.1-82.6176.8168.900109.8K65 A70K65-E68 PolarHBondContact O-N 2.87Å; E68-A70 PolarHBondContact O-N 3.35Å
69E64.7Low77.2Confident189 Ų18985.8 Ų85.888%0.88345%0.448SS*.  trans-59.6125.7175.2-65.8-176.216700109.6L71E69-L71 PolarHBondContact O-N 3.23Å; E69-L71 VanDerWaalsContact O-N 3.13Å
70A73.8Confident77.4Confident30 Ų3090.4 Ų90.425%0.24847%0.473CS..  trans-64.4117.117500000109.1A64 E68 F72 T73A64-A70 HydrophobicContact CB-CB 4.01Å; E68-A70 PolarHBondContact O-N 3.35Å; A70-F72 PolarHBondContact O-N 3.23Å; A70-T73 HydrophobicContact CB-CG2 4.26Å
71L76.5Confident77.6Confident67 Ų6783.8 Ų83.835%0.35144%0.444SS..SBendtrans-65.1-26.1177-72.7162.3000111.9W61 E69W61-L71 HydrophobicContact CB-CB 4.32Å; W61-L71 HydrophobicContact CB-CD1 4.27Å; W61-L71 HydrophobicContact CG-CD1 4.12Å; W61-L71 PolarHBondContact O-N 2.88Å; W61-L71 VanDerWaalsContact O-N 3.11Å; E69-L71 PolarHBondContact O-N 3.23Å; E69-L71 VanDerWaalsContact O-N 3.13Å
72F84.3Confident77.9Confident3 Ų382.1 Ų82.11%0.01344%0.437CS..  trans-124.1100.3-177.9-54.5-47000110.3V24 L56 W61 A62 A70 V78 Y81V24-F72 HydrophobicContact CG1-CE2 4.41Å; V24-F72 HydrophobicContact CG1-CZ 4.05Å; L56-F72 HydrophobicContact CB-CD2 4.29Å; L56-F72 HydrophobicContact CB-CE2 4.22Å; L56-F72 HydrophobicContact CD1-CZ 4.45Å; L56-F72 HydrophobicContact CD2-CE2 4.06Å; L56-F72 HydrophobicContact CD2-CZ 4.39Å; W61-F72 HydrophobicContact CB-CD2 3.52Å; W61-F72 HydrophobicContact CB-CE2 3.51Å; W61-F72 HydrophobicContact CE3-CE2 4.4Å; W61-F72 HydrophobicContact CG-CE2 4.23Å; W61-F72 PolarHBondContact O-N 2.86Å; A62-F72 WeakPolarHBondContact CA-O 3.36Å; A62-F72 HydrophobicContact CB-CB 3.95Å; A70-F72 PolarHBondContact O-N 3.23Å; F72-V78 HydrophobicContact CB-CG2 3.7Å; F72-V78 HydrophobicContact CD1-CB 4.33Å; F72-V78 HydrophobicContact CD1-CG2 3.64Å; F72-V78 HydrophobicContact CE1-CG2 4.48Å; F72-V78 HydrophobicContact CG-CG2 3.75Å; F72-Y81 AromaticContact CE1-CD1 3.9Å; F72-Y81 HydrophobicContact CE1-CD1 3.9Å; F72-Y81 AromaticContact CE1-CD2 3.74Å; F72-Y81 HydrophobicContact CE1-CD2 3.74Å; F72-Y81 HydrophobicContact CE1-CE2 4.42Å; F72-Y81 AromaticContact CE1-CG 3.5Å; F72-Y81 HydrophobicContact CE1-CG 3.5Å; F72-Y81 AromaticContact CZ-CD1 3.96Å; F72-Y81 HydrophobicContact CZ-CD1 3.96Å; F72-Y81 HydrophobicContact CZ-CD2 4.24Å; F72-Y81 HydrophobicContact CZ-CE1 4.2Å; F72-Y81 HydrophobicContact CZ-CG 4.01Å
73T84.3Confident78.3Confident107 Ų10782.3 Ų82.366%0.65644%0.435SS*.SBendtrans-100.1-43.3178.353.70000111.5A70 S77A70-T73 HydrophobicContact CB-CG2 4.26Å; T73-S77 PolarHBondContact N-OG 2.85Å; T73-S77 VanDerWaalsContact N-OG 3.13Å
74T87.4Confident78.8Confident69 Ų6981.6 Ų81.642%0.42343%0.429SS..SBendtrans-124.2162.2-178.962.30000111.5E76 S77 V78T74-E76 PolarHBondContact O-N 3Å; T74-S77 PolarHBondContact N-OG 3.49Å; T74-S77 VanDerWaalsContact N-OG 3.11Å; T74-S77 PolarHBondContact O-N 3.43Å; T74-S77 VanDerWaalsContact O-N 3.15Å; T74-S77 PolarHBondContact O-OG 3.08Å; T74-S77 PolarHBondContact OG1-N 3.26Å; T74-S77 VanDerWaalsContact OG1-N 3.14Å; T74-V78 PolarHBondContact O-N 3.18Å
75R88.6Confident79.9Confident95 Ų9578.1 Ų78.136%0.35840%0.4SS..Hα-helixtrans-56-37.8173.2-157.6170.3177.5109.89.5111.8V53 D54 L57 V78 V79 D180V53-R75 HydrophobicContact CG1-CG 3.47Å; V53-R75 VanDerWaalsContact CG1-CG 3.47Å; D54-R75 IonicContact OD1-CZ 3.29Å; D54-R75 IonicContact OD1-NH1 2.83Å; D54-R75 PolarHBondContact OD1-NH1 3.03Å; D54-R75 IonicContact OD1-NH2 3.72Å; L57-R75 HydrophobicContact CD1-CG 4.47Å; R75-V78 WeakPolarHBondContact O-CB 3.11Å; R75-V78 PolarHBondContact O-N 3.02Å; R75-V79 WeakPolarHBondContact O-CG2 3.49Å; R75-V79 PolarHBondContact O-N 2.73Å; R75-V79 VanDerWaalsContact O-N 3.11Å; R75-D180 VanDerWaalsContact CD-OD2 3.3Å; R75-D180 WeakPolarHBondContact CD-OD2 3.32Å; R75-D180 IonicContact CZ-OD1 2.93Å; R75-D180 IonicContact CZ-OD2 3.05Å; R75-D180 VanDerWaalsContact NE-CG 3.29Å; R75-D180 IonicContact NE-OD1 2.93Å; R75-D180 PolarHBondContact NE-OD1 2.99Å; R75-D180 IonicContact NE-OD2 3.36Å; R75-D180 PolarHBondContact NE-OD2 3.35Å; R75-D180 IonicContact NH2-OD1 3.63Å; R75-D180 PolarHBondContact NH2-OD1 3.23Å; R75-D180 IonicContact NH2-OD2 2.73Å
76E89.9Confident81.3Confident148 Ų14870.5 Ų70.569%0.69237%0.367SS*.Hα-helixtrans-65.3-42.9176.4-63.9173.3-178.800112.4T74 V78 V79 D80T74-E76 PolarHBondContact O-N 3Å; E76-V78 PolarHBondContact O-N 2.99Å; E76-V79 WeakPolarHBondContact O-CB 3.4Å; E76-V79 PolarHBondContact O-N 3.44Å; E76-D80 PolarHBondContact O-N 3.05Å
77S90.3Very high83.4Confident28 Ų2866 Ų6620%0.19635%0.348CS..Hα-helixtrans-59.6-35.6176.372.90000112.6T73 T74 Y81T73-S77 PolarHBondContact N-OG 2.85Å; T73-S77 VanDerWaalsContact N-OG 3.13Å; T74-S77 PolarHBondContact N-OG 3.49Å; T74-S77 VanDerWaalsContact N-OG 3.11Å; T74-S77 PolarHBondContact O-N 3.43Å; T74-S77 VanDerWaalsContact O-N 3.15Å; T74-S77 PolarHBondContact O-OG 3.08Å; T74-S77 PolarHBondContact OG1-N 3.26Å; T74-S77 VanDerWaalsContact OG1-N 3.14Å; S77-Y81 WeakPolarHBondContact O-CB 3.29Å; S77-Y81 PolarHBondContact O-N 3.44Å
78V90.3Very high84.8Confident0 Ų064.4 Ų64.40%032%0.316CS..Hα-helixtrans-69.1-41.2175.1179.50000110.9V53 L56 L57 F72 T74 R75 E76 Y81 C82V53-V78 HydrophobicContact CB-CG1 4.28Å; V53-V78 HydrophobicContact CG1-CB 4.21Å; V53-V78 HydrophobicContact CG1-CG1 4.02Å; V53-V78 HydrophobicContact CG2-CG1 4.17Å; L56-V78 HydrophobicContact CB-CG1 3.81Å; L56-V78 HydrophobicContact CD1-CG1 3.57Å; L56-V78 HydrophobicContact CG-CG1 4.31Å; L57-V78 HydrophobicContact CD2-CG2 3.76Å; L57-V78 HydrophobicContact CG-CG2 4.09Å; F72-V78 HydrophobicContact CB-CG2 3.7Å; F72-V78 HydrophobicContact CD1-CB 4.33Å; F72-V78 HydrophobicContact CD1-CG2 3.64Å; F72-V78 HydrophobicContact CE1-CG2 4.48Å; F72-V78 HydrophobicContact CG-CG2 3.75Å; T74-V78 PolarHBondContact O-N 3.18Å; R75-V78 WeakPolarHBondContact O-CB 3.11Å; R75-V78 PolarHBondContact O-N 3.02Å; E76-V78 PolarHBondContact O-N 2.99Å; V78-Y81 PolarHBondContact O-N 2.73Å; V78-C82 WeakPolarHBondContact O-CB 3.41Å; V78-C82 PolarHBondContact O-N 3.4Å; V78-C82 PolarHBondContact O-SG 3.42Å; V78-C82 VanDerWaalsContact O-SG 3.35Å
79V91.8Very high86Confident22 Ų2259.8 Ų59.813%0.13330%0.295CS..Hα-helixtrans-60.6-46.2176.5167.90000111.1V53 R75 E76 Y81 C82 N83 F178 D180V53-V79 HydrophobicContact CG2-CG2 4.41Å; R75-V79 WeakPolarHBondContact O-CG2 3.49Å; R75-V79 PolarHBondContact O-N 2.73Å; R75-V79 VanDerWaalsContact O-N 3.11Å; E76-V79 WeakPolarHBondContact O-CB 3.4Å; E76-V79 PolarHBondContact O-N 3.44Å; V79-Y81 VanDerWaalsContact C-N 3.33Å; V79-Y81 PolarHBondContact O-N 3.2Å; V79-C82 PolarHBondContact O-N 2.92Å; V79-N83 PolarHBondContact O-N 2.91Å; V79-N83 PolarHBondContact O-ND2 3.17Å; V79-N83 VanDerWaalsContact O-ND2 3.09Å; V79-F178 HydrophobicContact CB-CD1 4.33Å; V79-F178 HydrophobicContact CG1-CD1 4.16Å; V79-F178 HydrophobicContact CG2-CD1 4.24Å; V79-F178 HydrophobicContact CG2-CE1 4.22Å; V79-D180 HydrophobicContact CG2-CB 3.57Å
80D90.8Very high87.1Confident99 Ų9951.1 Ų51.153%0.52925%0.254SS..Hα-helixtrans-63-40.4176.5-76.1-17.8000112.1E76 N83 R84E76-D80 PolarHBondContact O-N 3.05Å; D80-N83 WeakPolarHBondContact O-CB 3.13Å; D80-N83 PolarHBondContact O-N 3.16Å; D80-R84 PolarHBondContact O-N 3.34Å; D80-R84 VanDerWaalsContact O-N 3.15Å
81Y90.1Very high87.8Confident8 Ų849.7 Ų49.73%0.03124%0.242CC..Hα-helixtrans-64.4-44.3174.4-165.4-80.6000112.1E21 V24 F72 S77 V78 V79 N83 R84 L85E21-Y81 WeakPolarHBondContact CA-OH 3.14Å; E21-Y81 WeakPolarHBondContact CG-OH 3.29Å; V24-Y81 HydrophobicContact CB-CE1 4.15Å; V24-Y81 HydrophobicContact CG1-CD1 4.43Å; V24-Y81 HydrophobicContact CG1-CE1 3.77Å; V24-Y81 HydrophobicContact CG2-CE1 4.34Å; F72-Y81 AromaticContact CE1-CD1 3.9Å; F72-Y81 HydrophobicContact CE1-CD1 3.9Å; F72-Y81 AromaticContact CE1-CD2 3.74Å; F72-Y81 HydrophobicContact CE1-CD2 3.74Å; F72-Y81 HydrophobicContact CE1-CE2 4.42Å; F72-Y81 AromaticContact CE1-CG 3.5Å; F72-Y81 HydrophobicContact CE1-CG 3.5Å; F72-Y81 AromaticContact CZ-CD1 3.96Å; F72-Y81 HydrophobicContact CZ-CD1 3.96Å; F72-Y81 HydrophobicContact CZ-CD2 4.24Å; F72-Y81 HydrophobicContact CZ-CE1 4.2Å; F72-Y81 HydrophobicContact CZ-CG 4.01Å; S77-Y81 WeakPolarHBondContact O-CB 3.29Å; S77-Y81 PolarHBondContact O-N 3.44Å; V78-Y81 PolarHBondContact O-N 2.73Å; V79-Y81 VanDerWaalsContact C-N 3.33Å; V79-Y81 PolarHBondContact O-N 3.2Å; Y81-N83 VanDerWaalsContact C-N 3.27Å; Y81-N83 PolarHBondContact O-N 3.44Å; Y81-R84 WeakPolarHBondContact O-CA 3.24Å; Y81-R84 WeakPolarHBondContact O-CB 3.33Å; Y81-R84 PolarHBondContact O-N 3.36Å; Y81-L85 HydrophobicContact CD1-CD1 3.85Å; Y81-L85 HydrophobicContact CD1-CG 3.95Å; Y81-L85 HydrophobicContact CE1-CD1 3.79Å; Y81-L85 HydrophobicContact CE1-CD2 4.05Å; Y81-L85 HydrophobicContact CE1-CG 3.81Å; Y81-L85 PolarHBondContact O-N 3.17Å
82C90.3Very high88.4Confident0 Ų048 Ų480%023%0.232CC..Hα-helixtrans-63.3-33.7175.8-76.50000112V78 V79 R84 L85 L86 F91 F178V78-C82 WeakPolarHBondContact O-CB 3.41Å; V78-C82 PolarHBondContact O-N 3.4Å; V78-C82 PolarHBondContact O-SG 3.42Å; V78-C82 VanDerWaalsContact O-SG 3.35Å; V79-C82 PolarHBondContact O-N 2.92Å; C82-R84 VanDerWaalsContact C-N 3.32Å; C82-R84 PolarHBondContact O-N 3.32Å; C82-L85 PolarHBondContact O-N 3.41Å; C82-L86 VanDerWaalsContact O-CB 3.29Å; C82-L86 WeakPolarHBondContact O-CB 3.3Å; C82-L86 PolarHBondContact O-N 2.99Å; C82-F91 HydrophobicContact CB-CZ 4.33Å; C82-F178 HydrophobicContact CB-CB 4.12Å; C82-F178 HydrophobicContact CB-CD1 3.38Å; C82-F178 HydrophobicContact CB-CD2 3.73Å; C82-F178 HydrophobicContact CB-CE1 3.58Å; C82-F178 HydrophobicContact CB-CE2 3.91Å; C82-F178 HydrophobicContact CB-CG 3.45Å; C82-F178 VanDerWaalsContact CB-CG 3.45Å; C82-F178 HydrophobicContact CB-CZ 3.83Å
83N90.4Very high88.5Confident28 Ų2848.7 Ų48.715%0.1524%0.235CC..Hα-helixtrans-60.5-40.1170.3-85.9-54.4000111.8V79 D80 Y81 L86 K87 F178V79-N83 PolarHBondContact O-N 2.91Å; V79-N83 PolarHBondContact O-ND2 3.17Å; V79-N83 VanDerWaalsContact O-ND2 3.09Å; D80-N83 WeakPolarHBondContact O-CB 3.13Å; D80-N83 PolarHBondContact O-N 3.16Å; Y81-N83 VanDerWaalsContact C-N 3.27Å; Y81-N83 PolarHBondContact O-N 3.44Å; N83-L86 PolarHBondContact O-N 3.35Å; N83-K87 WeakPolarHBondContact O-CG 3.47Å; N83-K87 PolarHBondContact O-N 3.33Å; N83-F178 HydrophobicContact CB-CB 4.46Å; N83-F178 PolarHBondContact ND2-O 3Å; N83-F178 WeakPolarHBondContact OD1-CA 3.31Å; N83-F178 WeakPolarHBondContact OD1-CB 3.29Å; N83-F178 PolarHBondContact OD1-N 3.03Å
84R88.9Confident88.4Confident123 Ų12343.6 Ų43.646%0.46420%0.204SC..Hα-helixtrans-65-43.6172.9-63.5-168.6-65.7-123.18.5112.2D80 Y81 C82 L86 K87 K88D80-R84 PolarHBondContact O-N 3.34Å; D80-R84 VanDerWaalsContact O-N 3.15Å; Y81-R84 WeakPolarHBondContact O-CA 3.24Å; Y81-R84 WeakPolarHBondContact O-CB 3.33Å; Y81-R84 PolarHBondContact O-N 3.36Å; C82-R84 VanDerWaalsContact C-N 3.32Å; C82-R84 PolarHBondContact O-N 3.32Å; R84-L86 VanDerWaalsContact C-N 3.3Å; R84-L86 PolarHBondContact O-N 3.49Å; R84-K87 PolarHBondContact O-N 2.9Å; R84-K88 WeakPolarHBondContact O-CG 3.4Å; R84-K88 PolarHBondContact O-N 2.95Å; R84-K88 VanDerWaalsContact O-N 3.07Å
85L88.9Confident88Confident0 Ų043.7 Ų43.70%020%0.202CC..Hα-helixtrans-62-37.6176.1-69.5177.2000112.4E21 V24 Y81 C82 K88 Q89 F90 F91E21-L85 HydrophobicContact CB-CD2 3.99Å; E21-L85 HydrophobicContact CG-CD2 4.42Å; V24-L85 HydrophobicContact CG1-CD1 4.35Å; Y81-L85 HydrophobicContact CD1-CD1 3.85Å; Y81-L85 HydrophobicContact CD1-CG 3.95Å; Y81-L85 HydrophobicContact CE1-CD1 3.79Å; Y81-L85 HydrophobicContact CE1-CD2 4.05Å; Y81-L85 HydrophobicContact CE1-CG 3.81Å; Y81-L85 PolarHBondContact O-N 3.17Å; C82-L85 PolarHBondContact O-N 3.41Å; L85-K88 CarbonylContact O-C 3.57Å; L85-K88 PolarHBondContact O-N 3.02Å; L85-Q89 PolarHBondContact O-N 2.85Å; L85-F90 HydrophobicContact CB-CB 4.49Å; L85-F90 HydrophobicContact CB-CD2 4.26Å; L85-F90 HydrophobicContact CD2-CD2 3.7Å; L85-F90 HydrophobicContact CD2-CE2 3.82Å; L85-F90 HydrophobicContact CD2-CG 4.31Å; L85-F90 WeakPolarHBondContact O-CD2 3.26Å; L85-F90 PolarHBondContact O-N 3.2Å; L85-F91 HydrophobicContact CB-CE1 3.75Å; L85-F91 HydrophobicContact CB-CZ 3.85Å; L85-F91 HydrophobicContact CD1-CE1 4.19Å
86L88.7Confident87.2Confident3 Ų343.8 Ų43.82%0.01620%0.204CC..Hα-helixtrans-68.2-41.8177.8-175.1142.6000111.8C82 N83 R84 K88 Q89 F91 Q176 F178 Y185C82-L86 VanDerWaalsContact O-CB 3.29Å; C82-L86 WeakPolarHBondContact O-CB 3.3Å; C82-L86 PolarHBondContact O-N 2.99Å; N83-L86 PolarHBondContact O-N 3.35Å; R84-L86 VanDerWaalsContact C-N 3.3Å; R84-L86 PolarHBondContact O-N 3.49Å; L86-K88 PolarHBondContact O-N 3.11Å; L86-Q89 PolarHBondContact O-N 3.37Å; L86-Q89 PolarHBondContact O-NE2 3.2Å; L86-Q89 VanDerWaalsContact O-NE2 3.11Å; L86-F91 HydrophobicContact CB-CD2 4.28Å; L86-F91 HydrophobicContact CB-CE2 3.77Å; L86-F91 HydrophobicContact CB-CZ 4.39Å; L86-F91 HydrophobicContact CD1-CD2 4.08Å; L86-F91 HydrophobicContact CD1-CE2 3.94Å; L86-F91 HydrophobicContact CG-CD2 4.43Å; L86-F91 HydrophobicContact CG-CE2 4.3Å; L86-Q176 VanDerWaalsContact CD2-C 3.5Å; L86-Q176 HydrophobicContact CD2-CB 3.78Å; L86-Q176 WeakPolarHBondContact CD2-O 3.33Å; L86-F178 HydrophobicContact CD1-CB 4.44Å; L86-Y185 HydrophobicContact CD1-CD1 3.78Å; L86-Y185 HydrophobicContact CD1-CE1 3.44Å; L86-Y185 VanDerWaalsContact CD1-CE1 3.44Å
87K86.1Confident86Confident133 Ų13339 Ų3958%0.57819%0.186SC*.Hα-helixtrans-58.6-36.9171-73.2177-178.3-178.30111.9V14 N83 R84 Q89V14-K87 HydrophobicContact CG1-CB 4.34Å; N83-K87 WeakPolarHBondContact O-CG 3.47Å; N83-K87 PolarHBondContact O-N 3.33Å; R84-K87 PolarHBondContact O-N 2.9Å; K87-Q89 PolarHBondContact O-N 2.78Å
88K86.1Confident84.4Confident51 Ų5143 Ų4322%0.22220%0.203CC..THydrogen-bonded Turntrans-79.15.3175.4-70.5179.2172.6179.30114.6V14 P17 E21 R84 L85 L86 F90V14-K88 HydrophobicContact CG1-CD 4.4Å; V14-K88 HydrophobicContact CG1-CG 3.57Å; P17-K88 HydrophobicContact CB-CD 4.48Å; E21-K88 IonicContact OE1-NZ 3.57Å; E21-K88 PolarHBondContact OE1-NZ 2.86Å; E21-K88 WeakPolarHBondContact OE2-CD 3.49Å; E21-K88 IonicContact OE2-NZ 3.54Å; E21-K88 PolarHBondContact OE2-NZ 2.99Å; R84-K88 WeakPolarHBondContact O-CG 3.4Å; R84-K88 PolarHBondContact O-N 2.95Å; R84-K88 VanDerWaalsContact O-N 3.07Å; L85-K88 CarbonylContact O-C 3.57Å; L85-K88 PolarHBondContact O-N 3.02Å; L86-K88 PolarHBondContact O-N 3.11Å; K88-F90 VanDerWaalsContact C-N 3.3Å; K88-F90 HydrophobicContact CB-CD2 3.81Å; K88-F90 HydrophobicContact CB-CE2 3.86Å; K88-F90 PolarHBondContact O-N 2.93Å
89Q84.6Confident82.6Confident53 Ų5350.7 Ų50.725%0.24824%0.236CC..THydrogen-bonded Turntrans60.732.5174.3-61-70.8-83.800114.4L85 L86 K87 I188L85-Q89 PolarHBondContact O-N 2.85Å; L86-Q89 PolarHBondContact O-N 3.37Å; L86-Q89 PolarHBondContact O-NE2 3.2Å; L86-Q89 VanDerWaalsContact O-NE2 3.11Å; K87-Q89 PolarHBondContact O-N 2.78Å; Q89-I188 HydrophobicContact CB-CD1 4.25Å; Q89-I188 WeakPolarHBondContact O-CB 3.48Å
90F86.8Confident80.3Confident7 Ų755.7 Ų55.73%0.03126%0.259CS..SBendtrans-67.8-31167.5-77.3-86.7000111.7P17 K22 A25 L85 K88 I188 Y189P17-F90 HydrophobicContact CB-CE2 3.72Å; P17-F90 HydrophobicContact CB-CZ 3.57Å; P17-F90 HydrophobicContact CG-CZ 4.33Å; K22-F90 HydrophobicContact CG-CE1 4.33Å; K22-F90 HydrophobicContact CG-CZ 4.03Å; A25-F90 HydrophobicContact CB-CD1 3.29Å; A25-F90 HydrophobicContact CB-CE1 3.46Å; A25-F90 VanDerWaalsContact CB-CE1 3.46Å; A25-F90 HydrophobicContact CB-CG 3.97Å; A25-F90 HydrophobicContact CB-CZ 4.23Å; L85-F90 HydrophobicContact CB-CB 4.49Å; L85-F90 HydrophobicContact CB-CD2 4.26Å; L85-F90 HydrophobicContact CD2-CD2 3.7Å; L85-F90 HydrophobicContact CD2-CE2 3.82Å; L85-F90 HydrophobicContact CD2-CG 4.31Å; L85-F90 WeakPolarHBondContact O-CD2 3.26Å; L85-F90 PolarHBondContact O-N 3.2Å; K88-F90 VanDerWaalsContact C-N 3.3Å; K88-F90 HydrophobicContact CB-CD2 3.81Å; K88-F90 HydrophobicContact CB-CE2 3.86Å; K88-F90 PolarHBondContact O-N 2.93Å; F90-I188 PolarHBondContact O-N 2.88Å; F90-Y189 AromaticContact CD1-CD1 3.82Å; F90-Y189 HydrophobicContact CD1-CD1 3.82Å; F90-Y189 AromaticContact CD1-CD2 3.93Å; F90-Y189 HydrophobicContact CD1-CD2 3.93Å; F90-Y189 HydrophobicContact CD1-CE1 4.45Å; F90-Y189 AromaticContact CD1-CG 3.52Å; F90-Y189 HydrophobicContact CD1-CG 3.52Å; F90-Y189 HydrophobicContact CE1-CD1 4.13Å; F90-Y189 AromaticContact CE1-CD2 3.93Å; F90-Y189 HydrophobicContact CE1-CD2 3.93Å; F90-Y189 HydrophobicContact CE1-CE1 4.33Å; F90-Y189 HydrophobicContact CE1-CE2 4.16Å; F90-Y189 AromaticContact CE1-CG 3.93Å; F90-Y189 HydrophobicContact CE1-CG 3.93Å; F90-Y189 WeakPolarHBondContact O-CB 3.34Å; F90-Y189 PolarHBondContact O-N 2.82Å
91F89.5Confident78Confident0 Ų059.7 Ų59.70%027%0.272CS..EExtended strand (participates in β ladder)trans-155.4159.7176.347.4-95000109.8L28 F47 C82 L85 L86 F178 Y185 V186 W187L28-F91 HydrophobicContact CD2-CE1 4.5Å; F47-F91 HydrophobicContact CE1-CB 3.84Å; F47-F91 HydrophobicContact CE1-CD1 4.18Å; F47-F91 HydrophobicContact CE1-CD2 4.36Å; F47-F91 AromaticContact CE1-CG 3.88Å; F47-F91 HydrophobicContact CE1-CG 3.88Å; F47-F91 HydrophobicContact CZ-CB 4.22Å; F47-F91 AromaticContact CZ-CD1 3.91Å; F47-F91 HydrophobicContact CZ-CD1 3.91Å; F47-F91 AromaticContact CZ-CD2 3.88Å; F47-F91 HydrophobicContact CZ-CD2 3.88Å; F47-F91 HydrophobicContact CZ-CE1 4.23Å; F47-F91 HydrophobicContact CZ-CE2 4.19Å; F47-F91 AromaticContact CZ-CG 3.73Å; F47-F91 HydrophobicContact CZ-CG 3.73Å; F47-F91 HydrophobicContact CZ-CZ 4.36Å; C82-F91 HydrophobicContact CB-CZ 4.33Å; L85-F91 HydrophobicContact CB-CE1 3.75Å; L85-F91 HydrophobicContact CB-CZ 3.85Å; L85-F91 HydrophobicContact CD1-CE1 4.19Å; L86-F91 HydrophobicContact CB-CD2 4.28Å; L86-F91 HydrophobicContact CB-CE2 3.77Å; L86-F91 HydrophobicContact CB-CZ 4.39Å; L86-F91 HydrophobicContact CD1-CD2 4.08Å; L86-F91 HydrophobicContact CD1-CE2 3.94Å; L86-F91 HydrophobicContact CG-CD2 4.43Å; L86-F91 HydrophobicContact CG-CE2 4.3Å; F91-F178 AromaticContact CE2-CD2 3.83Å; F91-F178 HydrophobicContact CE2-CD2 3.83Å; F91-F178 HydrophobicContact CE2-CE2 4.2Å; F91-F178 HydrophobicContact CZ-CD2 4.35Å; F91-Y185 AromaticContact CD2-CD1 3.79Å; F91-Y185 HydrophobicContact CD2-CD1 3.79Å; F91-Y185 HydrophobicContact CD2-CG 4.21Å; F91-Y185 HydrophobicContact CE2-CD1 4.14Å; F91-V186 CarbonylContact C-O 3.43Å; F91-V186 WeakPolarHBondContact CA-O 3.49Å; F91-V186 WeakPolarHBondContact CB-O 3.01Å; F91-W187 HydrophobicContact CB-CE3 4.2Å; F91-W187 HydrophobicContact CD1-CE3 4.19Å; F91-W187 HydrophobicContact CD1-CH2 4.28Å; F91-W187 AromaticContact CD1-CZ3 3.7Å; F91-W187 HydrophobicContact CD1-CZ3 3.7Å; F91-W187 HydrophobicContact CE1-CZ3 4.45Å
92H87.8Confident76Confident30 Ų3068 Ų6814%0.13931%0.305CS..EExtended strand (participates in β ladder)trans-121.7151.1174.368.476.2000110.8M39 Y185 V186 I188M39-H92 WeakPolarHBondContact CE-CE1 3.43Å; M39-H92 VanDerWaalsContact CE-NE2 3.29Å; M39-H92 WeakPolarHBondContact CE-NE2 3.32Å; H92-Y185 CarbonylContact O-C 3.53Å; H92-Y185 VanDerWaalsContact O-CA 3.29Å; H92-Y185 WeakPolarHBondContact O-CA 3.45Å; H92-V186 VanDerWaalsContact CE1-CB 3.41Å; H92-V186 WeakPolarHBondContact CE1-CB 3.46Å; H92-V186 PolarHBondContact N-O 2.72Å; H92-V186 WeakPolarHBondContact NE2-CB 3.4Å; H92-V186 PolarHBondContact O-N 2.95Å; H92-I188 HydrophobicContact CB-CD1 4.15Å
93R86.3Confident73.7Confident18 Ų1875.2 Ų75.27%0.06834%0.343CS..EExtended strand (participates in β ladder)trans-68.6139.3172.2-166.9-179.7179.8-169-2.7109.9H173 D175 Q176 E183 Y185R93-H173 HydrophobicContact CB-CB 4.06Å; R93-H173 HydrophobicContact CG-CB 3.9Å; R93-H173 VanDerWaalsContact CZ-CD2 3.49Å; R93-H173 PolarHBondContact NE-CD2 2.83Å; R93-H173 PolarHBondContact NH1-NE2 3.42Å; R93-H173 PolarHBondContact O-N 2.83Å; R93-D175 VanDerWaalsContact CD-O 3.24Å; R93-D175 WeakPolarHBondContact CD-O 3.4Å; R93-D175 PolarHBondContact NH1-O 2.95Å; R93-Q176 PolarHBondContact O-NE2 2.59Å; R93-E183 IonicContact CZ-OE1 3.46Å; R93-E183 IonicContact CZ-OE2 2.62Å; R93-E183 VanDerWaalsContact CZ-OE2 3.29Å; R93-E183 IonicContact NE-OE1 3.58Å; R93-E183 IonicContact NE-OE2 3.51Å; R93-E183 PolarHBondContact NE-OE2 3.32Å; R93-E183 IonicContact NH2-OE1 3.3Å; R93-E183 PolarHBondContact NH2-OE1 3.48Å; R93-E183 IonicContact NH2-OE2 2.77Å; R93-E183 PolarHBondContact NH2-OE2 2.87Å; R93-Y185 HydrophobicContact CB-CD1 3.99Å; R93-Y185 HydrophobicContact CB-CE1 3.62Å; R93-Y185 HydrophobicContact CG-CD1 4.39Å; R93-Y185 HydrophobicContact CG-CE1 3.8Å
94A83.4Confident71.5Confident1 Ų182.5 Ų82.51%0.00837%0.373CS..EExtended strand (participates in β ladder)trans-135.2136.217600000110.5L170 E171 V184 V186A94-L170 HydrophobicContact CB-CB 4.32Å; A94-L170 HydrophobicContact CB-CD2 3.95Å; A94-L170 HydrophobicContact CB-CG 4.25Å; A94-E171 CarbonylContact C-O 3.59Å; A94-E171 VanDerWaalsContact CA-O 3.31Å; A94-E171 WeakPolarHBondContact CA-O 3.47Å; A94-V184 PolarHBondContact N-O 2.72Å; A94-V184 WeakPolarHBondContact O-CB 3.28Å; A94-V186 HydrophobicContact CB-CG2 3.6Å
95L77.7Confident69.4Low71 Ų7182.6 Ų82.637%0.37238%0.383SS..EExtended strand (participates in β ladder)trans-81.4130.5173.6-74.6170000110V97 L170 E171 H173L95-V97 HydrophobicContact CB-CG2 4.18Å; L95-V97 PolarHBondContact O-N 3.24Å; L95-V97 VanDerWaalsContact O-N 3.14Å; L95-L170 WeakPolarHBondContact O-CA 3.37Å; L95-E171 PolarHBondContact N-O 3.08Å; L95-E171 PolarHBondContact O-N 2.86Å; L95-H173 HydrophobicContact CD1-CB 4.43Å; L95-H173 WeakPolarHBondContact CD2-CD2 3.43Å; L95-H173 HydrophobicContact CG-CB 4.07Å; L95-H173 WeakPolarHBondContact CG-CD2 3.32Å
96K72.2Confident67.4Low96 Ų9689 Ų8942%0.41742%0.416SS..EExtended strand (participates in β ladder)trans-83.884.3173-171.7178.3176.6-175.30109.3M98 F168 V184K96-M98 PolarHBondContact O-N 3.21Å; K96-F168 HydrophobicContact CD-CD1 3.97Å; K96-F168 HydrophobicContact CD-CE1 4.29Å; K96-F168 HydrophobicContact CD-CG 4.16Å; K96-F168 HydrophobicContact CG-CB 3.85Å; K96-F168 HydrophobicContact CG-CD1 3.65Å; K96-F168 HydrophobicContact CG-CE1 4.38Å; K96-F168 HydrophobicContact CG-CG 3.88Å; K96-V184 HydrophobicContact CB-CG2 4.28Å; K96-V184 HydrophobicContact CD-CG2 4.43Å
97V65.4Low65.2Low49 Ų4997.9 Ų97.930%0.29745%0.454SS..EExtended strand (participates in β ladder)trans-77.4117.7179.5-173.30000109.7L95 K99 K169 E171L95-V97 HydrophobicContact CB-CG2 4.18Å; L95-V97 PolarHBondContact O-N 3.24Å; L95-V97 VanDerWaalsContact O-N 3.14Å; V97-K99 PolarHBondContact O-N 3.46Å; V97-K169 PolarHBondContact N-O 2.95Å; V97-K169 PolarHBondContact O-N 2.88Å; V97-E171 HydrophobicContact CG2-CB 4.05Å; V97-E171 HydrophobicContact CG2-CG 3.91Å
98M57.2Low63.2Low112 Ų11299.7 Ų99.755%0.55246%0.463SS*.EExtended strand (participates in β ladder)trans-75.5101.5169-81.6-170.9-72.700109K96 M100 K166 F168K96-M98 PolarHBondContact O-N 3.21Å; M98-M100 VanDerWaalsContact C-N 3.31Å; M98-M100 PolarHBondContact O-N 3.47Å; M98-K166 HydrophobicContact SD-CD 4.23Å; M98-F168 HydrophobicContact CG-CD1 3.51Å; M98-F168 HydrophobicContact CG-CE1 3.27Å; M98-F168 HydrophobicContact CG-CZ 4.46Å; M98-F168 HydrophobicContact SD-CE1 3.83Å
99K52.3Low61Low161 Ų161105.5 Ų105.570%0.749%0.49SS*.  trans-73.790166.5-167.7161.3-174.3149.60109.1V97 K101V97-K99 PolarHBondContact O-N 3.46Å; K99-K101 PolarHBondContact O-N 2.96Å
100M43.3Very low59Low127 Ų127112 Ų11263%0.62652%0.518SS*.  trans-62.4117161-85.4-73.3-170.400107.3M98 Y102M98-M100 VanDerWaalsContact C-N 3.31Å; M98-M100 PolarHBondContact O-N 3.47Å; M100-Y102 HydrophobicContact CB-CD2 4.23Å; M100-Y102 PolarHBondContact O-N 3.45Å; M100-Y102 VanDerWaalsContact O-N 3.13Å; M100-Y102 HydrophobicContact SD-CE2 4.49Å
101K42.2Very low56.7Low182 Ų182118.5 Ų118.579%0.79155%0.553SS**  trans-75.597.2172-76.1-177.3175.8-177.70108K99K99-K101 PolarHBondContact O-N 2.96Å
102Y47.6Very low54.2Low183 Ų183128 Ų12872%0.71859%0.594SS**  trans-111.5-2166.8-96.3-85.8000113.9M100M100-Y102 HydrophobicContact CB-CD2 4.23Å; M100-Y102 PolarHBondContact O-N 3.45Å; M100-Y102 VanDerWaalsContact O-N 3.13Å; M100-Y102 HydrophobicContact SD-CE2 4.49Å
103D43.1Very low51.7Low151 Ų151130.1 Ų130.181%0.80762%0.624SS**THydrogen-bonded Turntrans-102.120.5-168.2-81.8-58.3000117
104K44.5Very low49.1Very low181 Ų181138.4 Ų138.479%0.78766%0.661SS**THydrogen-bonded Turntrans-108.5-7.5176.3-138.8176.6-170.8-178.90115.8
105D43.6Very low46.6Very low125 Ų125145 Ų14567%0.66870%0.7SS**SBendtrans-104.2-21.7-172.2-58.7-47.7000113.7K107D105-K107 VanDerWaalsContact C-N 3.33Å; D105-K107 PolarHBondContact O-N 3.26Å
106I47.8Very low44.2Very low136 Ų136150.6 Ų150.670%0.69773%0.725SS**Hα-helixtrans-74.4-21.7179.4-63.7176.2000112.8
107K42.5Very low42.1Very low188 Ų188152 Ų15282%0.81775%0.747SS**Hα-helixtrans-86.8-5.4-177.8-141.6175.2-176178.70114.3D105D105-K107 VanDerWaalsContact C-N 3.33Å; D105-K107 PolarHBondContact O-N 3.26Å
108K42.7Very low40.2Very low172 Ų172153.3 Ų153.375%0.74877%0.77SS**Hα-helixtrans-100.5-16180-104-175.5176-1750114.8
109E41.5Very low38.7Very low172 Ų172156.2 Ų156.280%0.80478%0.779SS**Hα-helixtrans-84.2-24.7176.2-86.1-104.3130.400112.9D111E109-D111 VanDerWaalsContact C-N 3.33Å; E109-D111 PolarHBondContact O-N 3.41Å
110K41Very low37.4Very low189 Ų189155.4 Ų155.482%0.82278%0.778SS**THydrogen-bonded Turntrans-80.2-7.8-179.3-111.9-177.2179.5-179.90115.2
111D39Very low36.5Very low144 Ų144157.3 Ų157.377%0.7779%0.786SS**THydrogen-bonded Turntrans-100.6-1.3-175-136.7-88000113.6E109E109-D111 VanDerWaalsContact C-N 3.33Å; E109-D111 PolarHBondContact O-N 3.41Å
112K36.7Very low35.6Very low199 Ų199155.3 Ų155.387%0.86578%0.784SS**SBendtrans-109.91.1-179.7-75.9-170.2174.6-173.90115.5
113G35.8Very low34.7Very low75 Ų75155.5 Ų155.577%0.77379%0.788SS**SBendtrans-10813.1-175.800000115.7
114K32.3Very low33.8Very low192 Ų192158.1 Ų158.184%0.83579%0.792SS**  trans-135.760.3-174-156.5-176.1-177-172.70112.9
115V30.8Very low32.9Very low139 Ų139154.6 Ų154.684%0.84279%0.79SS**  trans-140.6132.8154.1-171.80000106.4
116E27.4Very low32Very low190 Ų190157.7 Ų157.789%0.88880%0.798SS**SBendtrans87.875.8-179.9-51.3-159.1133.700117.9
117S27.1Very low30.9Very low125 Ų125158.2 Ų158.287%0.87480%0.795SS**  -176.4124.1104.6840000108.2
118G25Very low30Very low76 Ų76156.6 Ų156.678%0.78479%0.791SS**  trans-100.9148.2177.400000112.2
119K26.3Very low29.2Very low173 Ų173154.2 Ų154.275%0.75279%0.786SS**  trans-173.2133.5131.1-120.2-175.1172.7-121.60111.3
120E25.1Very low28.5Very low145 Ų145152.5 Ų152.568%0.67878%0.781SS**  trans38144.5141-73.3170.1165.500119.9
121E24.5Very low27.7Very low166 Ų166150.5 Ų150.578%0.77677%0.772SS**  cis-170.2152.6-15.3-127-173.4179.800104.5
122D24.4Very low27Very low141 Ų141148.1 Ų148.175%0.75476%0.76SS**  trans83.2143147.7-119.2-26.7000124.9
123K27.2Very low26.5Very low187 Ų187145.1 Ų145.181%0.81375%0.749SS**  trans87.5103.4159.5-69.9-179.1-178.8171.90123
124K24.1Very low26Very low205 Ų205149.2 Ų149.289%0.89175%0.745SS**  trans-51.9127.7153.6175.7-174.8-175.2178.90115.9
125S25.9Very low25.6Very low107 Ų107145.5 Ų145.575%0.74874%0.739SS**  trans-175.7112.6146.443.10000109
126K24.9Very low25.3Very low190 Ų190148.1 Ų148.183%0.82674%0.739SS**  69.2131.385.9-165.4175.9-174.5-179.70115
127K24.8Very low25.2Very low148 Ų148148 Ų14864%0.64374%0.736SS**  trans84.5113.3157-101.7-174.6140.8176.40116.5
128E24.6Very low25.1Very low153 Ų153150 Ų15072%0.71573%0.731SS**  77.7142.795.8-89.1-176.4-143.800111.3
129N23.8Very low25.1Very low123 Ų123154.6 Ų154.666%0.65873%0.729SS**  cis-176.5172.8-1.1-163-13000104.5
130I27.1Very low25Very low136 Ų136154 Ų15470%0.69773%0.729SS**  trans72.6141.4150.6-72.1163.5000116.3
131K24.5Very low25Very low147 Ų147157.1 Ų157.164%0.63974%0.741SS**  cis169.4144.7-4.3-155.6177.6158.4-90.50102.5
132D24.9Very low25.1Very low94 Ų94158.3 Ų158.350%0.50374%0.743SS.*  137.5124108.7-94.8-44000105.9
133E25.9Very low25Very low136 Ų136161.6 Ų161.664%0.63675%0.751SS**  70138.299.1-114.2-169.2107.500112.1
134K24.9Very low24.9Very low161 Ų161160.5 Ų160.570%0.775%0.754SS**  cis-172.4136.813.7-159.6179.1-149.3148.20107.9
135T23.6Very low24.8Very low114 Ų114154.3 Ų154.370%0.69975%0.748SS**  trans22.2144.3137.7-20.70000124.3
136K25.1Very low24.8Very low193 Ų193158.1 Ų158.184%0.83975%0.754SS**  trans92.9117.9142.7-64.4-164.9-179.1178.80120.9
137K24.7Very low24.8Very low189 Ų189156.2 Ų156.282%0.82275%0.746SS**  -178.8117.6117.4-118.3171.3171.7173.70109
138E25.2Very low24.9Very low167 Ų167156.1 Ų156.178%0.7875%0.748SS**  40128.489.6-81.9-166.9135.500112.5
139K24.9Very low25.1Very low172 Ų172156.6 Ų156.675%0.74875%0.75SS**  cis-174.715844.3-166.5166.1178.1169.10110
140E24.8Very low25.3Very low159 Ų159156.6 Ų156.674%0.74376%0.756SS**  trans-35.2148.8173.1-55.9165.3110.800118.3
141K25Very low25.4Very low212 Ų212158.7 Ų158.792%0.92276%0.761SS**  trans-156.9119.7131-120.9175.3-176.9177.10112.1
142K26.1Very low25.6Very low191 Ų191161.6 Ų161.683%0.8377%0.773SS**  trans-57.8147.5164.9-68.9179.9174.3-177.20111.3
143K23.8Very low25.6Very low209 Ų209166.2 Ų166.291%0.90979%0.792SS**  trans-156.7121.7138.4-117.1-177.3-179.9-172.70110.9
144D23.2Very low25.7Very low164 Ų164168.9 Ų168.988%0.87780%0.804SS**  trans-52.9152.9161.7-87.1-82.3000112.6
145G23.7Very low25.8Very low75 Ų75167.8 Ų167.877%0.77381%0.811SS**  trans179.281.3174.600000112.5
146E24.9Very low26.2Very low187 Ų187168.5 Ų168.587%0.87482%0.818SS**  trans-48.9130.3159.2178.8-175.4130.100112.3
147K24.6Very low26.5Very low150 Ų150162.8 Ų162.865%0.65281%0.814SS**  175.5132.7129.8-114.8-174.4168.6-1390114.7
148E26.4Very low26.8Very low147 Ų147160.2 Ų160.269%0.68781%0.814SS**  trans65.5122.6135.4-79.2166.4-177.800121.5
149E28.7Very low27.3Very low162 Ų162158.2 Ų158.276%0.75782%0.815SS**  trans-46.8155.7153.4-61.5-174.4134.700112.1
150P28.7Very low27.6Very low123 Ų123159.6 Ų159.680%0.79982%0.822SS**  -132.4132.2115.233.5-23.9000112.5
151K29.2Very low28Very low181 Ų181161.6 Ų161.679%0.78783%0.828SS**  trans-56.2133.6154-71.6177178.2173.70109.2
152K28.5Very low28.5Very low207 Ų207160.5 Ų160.590%0.982%0.823SS**  trans-137133.2149.1-113.6-176.4-176.9-178.20110.4
153E26.1Very low29.2Very low191 Ų191160 Ų16089%0.89382%0.824SS**  trans-64.7166.6-172.5-67.3170.913500114.2
154E28.1Very low29.9Very low192 Ų192156 Ų15690%0.89782%0.817SS**  trans-61.9143.2-172.5-56.3177.812400114
155T25.8Very low31Very low138 Ų138157.2 Ų157.285%0.84781%0.814SS**  trans-136.5143.2144.611.60000109.3
156P31.8Very low32.5Very low129 Ų129159.9 Ų159.984%0.83880%0.804SS**  trans-95.1136.9-153.135.5-31.1000111.9
157G32.8Very low33.8Very low73 Ų73159 Ų15975%0.75380%0.798SS**  trans123.475.9165.900000114.4
158T30.4Very low35.6Very low136 Ų136155 Ų15583%0.83478%0.781SS**  trans-143.1136.2150.428.40000109.6
159P35Very low37.4Very low124 Ų124152.7 Ų152.781%0.80577%0.768SS**  trans-69.4139-168.626.9-33.3000111.6K161P159-K161 PolarHBondContact O-N 2.96Å
160K32.5Very low39.5Very low202 Ų202145.2 Ų145.288%0.87873%0.733SS**  trans-29.6109.6172.4-72176.4177175.70111.7K162K160-K162 VanDerWaalsContact C-N 3.29Å; K160-K162 PolarHBondContact O-N 3.06Å
161K32.7Very low41.5Very low200 Ų200144 Ų14487%0.8772%0.717SS**  trans-57.895.9165.2-159.4174.6-170.9174.40106.5P159 E163P159-K161 PolarHBondContact O-N 2.96Å; K161-E163 PolarHBondContact O-N 2.89Å
162K34.5Very low43.5Very low189 Ų189138.8 Ų138.882%0.82270%0.701SS**  trans-47.8114.4163.4-89177.9176.1172.60105.1K160 T164K160-K162 VanDerWaalsContact C-N 3.29Å; K160-K162 PolarHBondContact O-N 3.06Å; K162-T164 PolarHBondContact O-N 3.5Å
163E41.6Very low45.5Very low182 Ų182130.2 Ų130.285%0.8566%0.664SS**  trans-55.195.9166.9-64.6-172.3160.200106.3K161 K165K161-E163 PolarHBondContact O-N 2.89Å; E163-K165 PolarHBondContact O-N 3.36Å
164T39.2Very low47.3Very low123 Ų123128.5 Ų128.576%0.75566%0.662SS**  trans-6197171.1-3.70000103.7K162 K166K162-T164 PolarHBondContact O-N 3.5Å; T164-K166 VanDerWaalsContact C-N 3.3Å; T164-K166 PolarHBondContact O-N 3.22Å
165K46.1Very low49.3Very low190 Ų190124.4 Ų124.483%0.82665%0.646SS**  trans-44.9100.1175.9-72.6-179177.9179.90106.8E163 K167E163-K165 PolarHBondContact O-N 3.36Å; K165-K167 PolarHBondContact O-N 2.79Å
166K54Low51.8Low131 Ų131120.8 Ų120.857%0.5762%0.619SS**  trans-60.7106.4177.2-69.9179.7-179177.90104.5M98 T164 F168M98-K166 HydrophobicContact SD-CD 4.23Å; T164-K166 VanDerWaalsContact C-N 3.3Å; T164-K166 PolarHBondContact O-N 3.22Å; K166-F168 HydrophobicContact CB-CE1 4.31Å; K166-F168 HydrophobicContact CB-CE2 4.08Å; K166-F168 HydrophobicContact CB-CZ 3.9Å; K166-F168 WeakPolarHBondContact O-CD2 3.23Å; K166-F168 VanDerWaalsContact O-CE2 3.31Å; K166-F168 WeakPolarHBondContact O-CE2 3.45Å; K166-F168 PolarHBondContact O-N 3.46Å
167K52.3Low54.3Low169 Ų169117.7 Ų117.774%0.73560%0.598SS**  trans-73.797.6180-68.2-170.2179.4-170.90106.3K165K165-K167 PolarHBondContact O-N 2.79Å
168F62.5Low56.8Low67 Ų67114.3 Ų114.329%0.29456%0.562SS.*EExtended strand (participates in β ladder)trans-73.4129.6174.6-57.9-79000108.6K96 M98 K166K96-F168 HydrophobicContact CD-CD1 3.97Å; K96-F168 HydrophobicContact CD-CE1 4.29Å; K96-F168 HydrophobicContact CD-CG 4.16Å; K96-F168 HydrophobicContact CG-CB 3.85Å; K96-F168 HydrophobicContact CG-CD1 3.65Å; K96-F168 HydrophobicContact CG-CE1 4.38Å; K96-F168 HydrophobicContact CG-CG 3.88Å; M98-F168 HydrophobicContact CG-CD1 3.51Å; M98-F168 HydrophobicContact CG-CE1 3.27Å; M98-F168 HydrophobicContact CG-CZ 4.46Å; M98-F168 HydrophobicContact SD-CE1 3.83Å; K166-F168 HydrophobicContact CB-CE1 4.31Å; K166-F168 HydrophobicContact CB-CE2 4.08Å; K166-F168 HydrophobicContact CB-CZ 3.9Å; K166-F168 WeakPolarHBondContact O-CD2 3.23Å; K166-F168 VanDerWaalsContact O-CE2 3.31Å; K166-F168 WeakPolarHBondContact O-CE2 3.45Å; K166-F168 PolarHBondContact O-N 3.46Å
169K63.9Low59.4Low98 Ų98111.6 Ų111.643%0.42654%0.542SS..EExtended strand (participates in β ladder)trans-100.2127.7171-169.887173.8-177.60105.8V97V97-K169 PolarHBondContact N-O 2.95Å; V97-K169 PolarHBondContact O-N 2.88Å
170L72.8Confident61.8Low4 Ų4108.7 Ų108.72%0.02152%0.52CS..EExtended strand (participates in β ladder)trans-83.5134.6171.8-84.866000108T37 M39 Y46 A94 L95 V184 V186T37-L170 HydrophobicContact CG2-CD1 3.66Å; T37-L170 HydrophobicContact CG2-CD2 3.75Å; T37-L170 HydrophobicContact CG2-CG 4.21Å; M39-L170 HydrophobicContact CB-CB 4.26Å; M39-L170 HydrophobicContact CG-CB 3.92Å; M39-L170 WeakPolarHBondContact CG-O 3.39Å; M39-L170 HydrophobicContact SD-CB 3.81Å; Y46-L170 HydrophobicContact CD1-CD2 4.2Å; Y46-L170 HydrophobicContact CG-CD2 4.1Å; A94-L170 HydrophobicContact CB-CB 4.32Å; A94-L170 HydrophobicContact CB-CD2 3.95Å; A94-L170 HydrophobicContact CB-CG 4.25Å; L95-L170 WeakPolarHBondContact O-CA 3.37Å; L170-V184 HydrophobicContact CD2-CG1 3.95Å; L170-V186 HydrophobicContact CD2-CG2 3.47Å; L170-V186 VanDerWaalsContact CD2-CG2 3.47Å
171E71.1Confident64.3Low99 Ų99100.4 Ų100.446%0.46349%0.492SS..EExtended strand (participates in β ladder)trans-119.6142.5170.6-68.1-172.317300108.9A94 L95 V97 H173A94-E171 CarbonylContact C-O 3.59Å; A94-E171 VanDerWaalsContact CA-O 3.31Å; A94-E171 WeakPolarHBondContact CA-O 3.47Å; L95-E171 PolarHBondContact N-O 3.08Å; L95-E171 PolarHBondContact O-N 2.86Å; V97-E171 HydrophobicContact CG2-CB 4.05Å; V97-E171 HydrophobicContact CG2-CG 3.91Å; E171-H173 PolarHBondContact O-N 3.29Å
172P72Confident66.9Low70 Ų7097.4 Ų97.446%0.45549%0.485SS..EExtended strand (participates in β ladder)trans-59.9135.9174.325.6-32.1000109.7
173H71.1Confident69.4Low27 Ų2790.8 Ų90.813%0.12546%0.457CS..  trans-90.6135.9174.8-165.2-52.4000109.4R93 L95 E171 D175 Q176R93-H173 HydrophobicContact CB-CB 4.06Å; R93-H173 HydrophobicContact CG-CB 3.9Å; R93-H173 VanDerWaalsContact CZ-CD2 3.49Å; R93-H173 PolarHBondContact NE-CD2 2.83Å; R93-H173 PolarHBondContact NH1-NE2 3.42Å; R93-H173 PolarHBondContact O-N 2.83Å; L95-H173 HydrophobicContact CD1-CB 4.43Å; L95-H173 WeakPolarHBondContact CD2-CD2 3.43Å; L95-H173 HydrophobicContact CG-CB 4.07Å; L95-H173 WeakPolarHBondContact CG-CD2 3.32Å; E171-H173 PolarHBondContact O-N 3.29Å; H173-D175 IonicContact CE1-OD2 2.73Å; H173-D175 PolarHBondContact ND1-N 2.93Å; H173-D175 PolarHBondContact ND1-O 3.34Å; H173-Q176 PolarHBondContact O-NE2 2.83Å
174D62.7Low71.6Confident156 Ų15682.4 Ų82.483%0.83442%0.419SS*.SBendtrans-70.2-41.8179.8-64.7-40.4000112Q176D174-Q176 PolarHBondContact O-N 2.86Å
175D70.5Confident74Confident105 Ų10576.6 Ų76.656%0.56138%0.383SS*.SBendtrans-78.998.9171.9-53-36.5000113.7R93 H173 V177R93-D175 VanDerWaalsContact CD-O 3.24Å; R93-D175 WeakPolarHBondContact CD-O 3.4Å; R93-D175 PolarHBondContact NH1-O 2.95Å; H173-D175 IonicContact CE1-OD2 2.73Å; H173-D175 PolarHBondContact ND1-N 2.93Å; H173-D175 PolarHBondContact ND1-O 3.34Å; D175-V177 VanDerWaalsContact C-N 3.34Å; D175-V177 PolarHBondContact O-N 3.45Å; D175-V177 VanDerWaalsContact O-N 3.08Å
176Q78.4Confident76.1Confident62 Ų6267.6 Ų67.629%0.2934%0.344SS..  trans-83.474.4176.4-69.1-63.2-33.400110.8L86 R93 H173 D174L86-Q176 VanDerWaalsContact CD2-C 3.5Å; L86-Q176 HydrophobicContact CD2-CB 3.78Å; L86-Q176 WeakPolarHBondContact CD2-O 3.33Å; R93-Q176 PolarHBondContact O-NE2 2.59Å; H173-Q176 PolarHBondContact O-NE2 2.83Å; D174-Q176 PolarHBondContact O-N 2.86Å
177V83.8Confident77.8Confident65 Ų6562.1 Ų62.139%0.39432%0.32SS..  trans-125139.1171.9-177.50000109.3D175 L179 Y185D175-V177 VanDerWaalsContact C-N 3.34Å; D175-V177 PolarHBondContact O-N 3.45Å; D175-V177 VanDerWaalsContact O-N 3.08Å; V177-L179 HydrophobicContact CG1-CD2 4.04Å; V177-L179 HydrophobicContact CG1-CG 4.37Å; V177-L179 PolarHBondContact O-N 2.77Å; V177-Y185 PolarHBondContact O-OH 2.91Å
178F85.9Confident79.5Confident1 Ų158 Ų580%0.00431%0.305CS..  trans-80.2114.6171.3-166.8-94.4000109.5F47 A49 V53 V79 C82 N83 L86 F91 Y185F47-F178 HydrophobicContact CE2-CE2 4.4Å; A49-F178 HydrophobicContact CB-CE1 4.32Å; A49-F178 HydrophobicContact CB-CE2 3.99Å; A49-F178 HydrophobicContact CB-CZ 3.7Å; V53-F178 HydrophobicContact CG2-CE1 3.67Å; V53-F178 HydrophobicContact CG2-CZ 3.95Å; V79-F178 HydrophobicContact CB-CD1 4.33Å; V79-F178 HydrophobicContact CG1-CD1 4.16Å; V79-F178 HydrophobicContact CG2-CD1 4.24Å; V79-F178 HydrophobicContact CG2-CE1 4.22Å; C82-F178 HydrophobicContact CB-CB 4.12Å; C82-F178 HydrophobicContact CB-CD1 3.38Å; C82-F178 HydrophobicContact CB-CD2 3.73Å; C82-F178 HydrophobicContact CB-CE1 3.58Å; C82-F178 HydrophobicContact CB-CE2 3.91Å; C82-F178 HydrophobicContact CB-CG 3.45Å; C82-F178 VanDerWaalsContact CB-CG 3.45Å; C82-F178 HydrophobicContact CB-CZ 3.83Å; N83-F178 HydrophobicContact CB-CB 4.46Å; N83-F178 PolarHBondContact ND2-O 3Å; N83-F178 WeakPolarHBondContact OD1-CA 3.31Å; N83-F178 WeakPolarHBondContact OD1-CB 3.29Å; N83-F178 PolarHBondContact OD1-N 3.03Å; L86-F178 HydrophobicContact CD1-CB 4.44Å; F91-F178 AromaticContact CE2-CD2 3.83Å; F91-F178 HydrophobicContact CE2-CD2 3.83Å; F91-F178 HydrophobicContact CE2-CE2 4.2Å; F91-F178 HydrophobicContact CZ-CD2 4.35Å; F178-Y185 VanDerWaalsContact CA-OH 3.29Å; F178-Y185 WeakPolarHBondContact CA-OH 3.41Å; F178-Y185 HydrophobicContact CD2-CD1 4.21Å; F178-Y185 HydrophobicContact CD2-CD2 4.3Å; F178-Y185 AromaticContact CD2-CE1 3.77Å; F178-Y185 HydrophobicContact CD2-CE1 3.77Å; F178-Y185 AromaticContact CD2-CE2 3.91Å; F178-Y185 HydrophobicContact CD2-CE2 3.91Å; F178-Y185 HydrophobicContact CD2-CG 4.46Å; F178-Y185 AromaticContact CD2-CZ 3.63Å; F178-Y185 HydrophobicContact CE2-CD2 4.03Å; F178-Y185 HydrophobicContact CE2-CE1 4.45Å; F178-Y185 AromaticContact CE2-CE2 3.9Å; F178-Y185 HydrophobicContact CE2-CE2 3.9Å; F178-Y185 HydrophobicContact CE2-CG 4.41Å
179L85Confident80.6Confident79 Ų7957.9 Ų57.941%0.41430%0.303SS..  trans-117.6126.9177.4-63.8177.4000108.6A49 V177 G181 E183 Y185A49-L179 WeakPolarHBondContact CB-O 3.38Å; V177-L179 HydrophobicContact CG1-CD2 4.04Å; V177-L179 HydrophobicContact CG1-CG 4.37Å; V177-L179 PolarHBondContact O-N 2.77Å; L179-G181 PolarHBondContact O-N 2.99Å; L179-E183 HydrophobicContact CB-CG 4.26Å; L179-Y185 PolarHBondContact N-OH 3.14Å
180D84.9Confident81.5Confident64 Ų6458.6 Ų58.634%0.34231%0.312SS..SBendtrans-71.5116.5175175.236.6000110.5R75 V79R75-D180 VanDerWaalsContact CD-OD2 3.3Å; R75-D180 WeakPolarHBondContact CD-OD2 3.32Å; R75-D180 IonicContact CZ-OD1 2.93Å; R75-D180 IonicContact CZ-OD2 3.05Å; R75-D180 VanDerWaalsContact NE-CG 3.29Å; R75-D180 IonicContact NE-OD1 2.93Å; R75-D180 PolarHBondContact NE-OD1 2.99Å; R75-D180 IonicContact NE-OD2 3.36Å; R75-D180 PolarHBondContact NE-OD2 3.35Å; R75-D180 IonicContact NH2-OD1 3.63Å; R75-D180 PolarHBondContact NH2-OD1 3.23Å; R75-D180 IonicContact NH2-OD2 2.73Å; V79-D180 HydrophobicContact CG2-CB 3.57Å
181G85.7Confident81.9Confident27 Ų2759 Ų5928%0.27831%0.314SS..SBendtrans164.6-155.6-172.900000112.6S50 L179 E183S50-G181 WeakPolarHBondContact CB-O 3.29Å; S50-G181 PolarHBondContact N-O 2.74Å; S50-G181 PolarHBondContact OG-O 3.09Å; L179-G181 PolarHBondContact O-N 2.99Å; G181-E183 PolarHBondContact O-N 2.76Å
182N86Confident82.2Confident137 Ų13759.3 Ų59.373%0.73332%0.323SS*.SBendtrans-8920.4179.6-156.722.7000113.4
183E87.8Confident82.4Confident50 Ų5059.3 Ų59.323%0.23432%0.316CS..  trans-67.6146.5176.4-70.9-76.4163.400110.9I48 A49 R93 L179 G181 Y185I48-E183 WeakPolarHBondContact CA-O 3.14Å; A49-E183 HydrophobicContact CB-CB 4.36Å; A49-E183 PolarHBondContact N-O 3.35Å; R93-E183 IonicContact CZ-OE1 3.46Å; R93-E183 IonicContact CZ-OE2 2.62Å; R93-E183 VanDerWaalsContact CZ-OE2 3.29Å; R93-E183 IonicContact NE-OE1 3.58Å; R93-E183 IonicContact NE-OE2 3.51Å; R93-E183 PolarHBondContact NE-OE2 3.32Å; R93-E183 IonicContact NH2-OE1 3.3Å; R93-E183 PolarHBondContact NH2-OE1 3.48Å; R93-E183 IonicContact NH2-OE2 2.77Å; R93-E183 PolarHBondContact NH2-OE2 2.87Å; L179-E183 HydrophobicContact CB-CG 4.26Å; G181-E183 PolarHBondContact O-N 2.76Å; E183-Y185 HydrophobicContact CB-CE2 3.64Å
184V88.4Confident82.8Confident7 Ų764.9 Ų64.94%0.04234%0.341CS..EExtended strand (participates in β ladder)trans-107.5133.7-176.3173.40000109.9Y46 F47 A94 K96 L170Y46-V184 HydrophobicContact CD2-CG1 3.38Å; Y46-V184 HydrophobicContact CD2-CG2 4.41Å; Y46-V184 HydrophobicContact CE2-CG1 4.19Å; Y46-V184 HydrophobicContact CG-CG1 3.82Å; F47-V184 WeakPolarHBondContact O-CA 3.35Å; A94-V184 PolarHBondContact N-O 2.72Å; A94-V184 WeakPolarHBondContact O-CB 3.28Å; K96-V184 HydrophobicContact CB-CG2 4.28Å; K96-V184 HydrophobicContact CD-CG2 4.43Å; L170-V184 HydrophobicContact CD2-CG1 3.95Å
185Y88.8Confident83.8Confident0 Ų064.5 Ų64.50%033%0.332CS..EExtended strand (participates in β ladder)trans-124.7136.6177.8-65.7-91.2000109.6Y46 F47 A49 L86 F91 H92 R93 V177 F178 L179 E183Y46-Y185 CarbonylContact C-O 3.54Å; Y46-Y185 WeakPolarHBondContact CA-O 3.47Å; Y46-Y185 VanDerWaalsContact CB-O 3.3Å; Y46-Y185 WeakPolarHBondContact CB-O 3.47Å; F47-Y185 VanDerWaalsContact CD1-O 3.29Å; F47-Y185 WeakPolarHBondContact CD1-O 3.29Å; F47-Y185 VanDerWaalsContact CE1-CB 3.49Å; F47-Y185 HydrophobicContact CE2-CD2 4.38Å; F47-Y185 HydrophobicContact CE2-CG 4.34Å; F47-Y185 VanDerWaalsContact CZ-CB 3.42Å; F47-Y185 HydrophobicContact CZ-CG 4.14Å; F47-Y185 PolarHBondContact N-O 2.94Å; F47-Y185 PolarHBondContact O-N 3.39Å; A49-Y185 HydrophobicContact CB-CD2 3.98Å; A49-Y185 HydrophobicContact CB-CE2 3.54Å; L86-Y185 HydrophobicContact CD1-CD1 3.78Å; L86-Y185 HydrophobicContact CD1-CE1 3.44Å; L86-Y185 VanDerWaalsContact CD1-CE1 3.44Å; F91-Y185 AromaticContact CD2-CD1 3.79Å; F91-Y185 HydrophobicContact CD2-CD1 3.79Å; F91-Y185 HydrophobicContact CD2-CG 4.21Å; F91-Y185 HydrophobicContact CE2-CD1 4.14Å; H92-Y185 CarbonylContact O-C 3.53Å; H92-Y185 VanDerWaalsContact O-CA 3.29Å; H92-Y185 WeakPolarHBondContact O-CA 3.45Å; R93-Y185 HydrophobicContact CB-CD1 3.99Å; R93-Y185 HydrophobicContact CB-CE1 3.62Å; R93-Y185 HydrophobicContact CG-CD1 4.39Å; R93-Y185 HydrophobicContact CG-CE1 3.8Å; V177-Y185 PolarHBondContact O-OH 2.91Å; F178-Y185 VanDerWaalsContact CA-OH 3.29Å; F178-Y185 WeakPolarHBondContact CA-OH 3.41Å; F178-Y185 HydrophobicContact CD2-CD1 4.21Å; F178-Y185 HydrophobicContact CD2-CD2 4.3Å; F178-Y185 AromaticContact CD2-CE1 3.77Å; F178-Y185 HydrophobicContact CD2-CE1 3.77Å; F178-Y185 AromaticContact CD2-CE2 3.91Å; F178-Y185 HydrophobicContact CD2-CE2 3.91Å; F178-Y185 HydrophobicContact CD2-CG 4.46Å; F178-Y185 AromaticContact CD2-CZ 3.63Å; F178-Y185 HydrophobicContact CE2-CD2 4.03Å; F178-Y185 HydrophobicContact CE2-CE1 4.45Å; F178-Y185 AromaticContact CE2-CE2 3.9Å; F178-Y185 HydrophobicContact CE2-CE2 3.9Å; F178-Y185 HydrophobicContact CE2-CG 4.41Å; L179-Y185 PolarHBondContact N-OH 3.14Å; E183-Y185 HydrophobicContact CB-CE2 3.64Å
186V89.8Confident84.6Confident1 Ų163.6 Ų63.61%0.00633%0.33CS..EExtended strand (participates in β ladder)trans-102.8132.5-179.6176.80000109.1M39 V44 F91 H92 A94 L170M39-V186 HydrophobicContact CE-CG1 4.45Å; M39-V186 HydrophobicContact SD-CG2 4.17Å; V44-V186 HydrophobicContact CB-CG1 3.65Å; V44-V186 HydrophobicContact CG1-CG1 4.26Å; V44-V186 HydrophobicContact CG2-CG1 3.79Å; V44-V186 HydrophobicContact CG2-CG2 4.45Å; F91-V186 CarbonylContact C-O 3.43Å; F91-V186 WeakPolarHBondContact CA-O 3.49Å; F91-V186 WeakPolarHBondContact CB-O 3.01Å; H92-V186 VanDerWaalsContact CE1-CB 3.41Å; H92-V186 WeakPolarHBondContact CE1-CB 3.46Å; H92-V186 PolarHBondContact N-O 2.72Å; H92-V186 WeakPolarHBondContact NE2-CB 3.4Å; H92-V186 PolarHBondContact O-N 2.95Å; A94-V186 HydrophobicContact CB-CG2 3.6Å; L170-V186 HydrophobicContact CD2-CG2 3.47Å; L170-V186 VanDerWaalsContact CD2-CG2 3.47Å
187W90.5Very high85.2Confident17 Ų1766.6 Ų66.66%0.06434%0.342CS..EExtended strand (participates in β ladder)trans-70129.2177.4-72111.5000111.3L28 R29 D45 F47 F91L28-W187 HydrophobicContact CB-CH2 3.85Å; L28-W187 HydrophobicContact CB-CZ2 4.42Å; L28-W187 HydrophobicContact CD2-CH2 3.66Å; L28-W187 HydrophobicContact CD2-CZ2 4.26Å; L28-W187 HydrophobicContact CG-CH2 3.59Å; L28-W187 HydrophobicContact CG-CZ2 3.9Å; R29-W187 HydrophobicContact CB-CH2 4.42Å; R29-W187 HydrophobicContact CB-CZ2 4.49Å; R29-W187 VanDerWaalsContact NH1-CD1 3.32Å; D45-W187 PolarHBondContact O-N 2.96Å; F47-W187 AromaticContact CD1-CD1 3.77Å; F47-W187 AromaticContact CD1-CD2 3.91Å; F47-W187 HydrophobicContact CD1-CD2 3.91Å; F47-W187 AromaticContact CD1-CE2 3.27Å; F47-W187 HydrophobicContact CD1-CG 4.2Å; F47-W187 HydrophobicContact CD1-CH2 4.46Å; F47-W187 AromaticContact CD1-CZ2 3.6Å; F47-W187 HydrophobicContact CD1-CZ2 3.6Å; F47-W187 AromaticContact CD1-NE1 3.2Å; F47-W187 AromaticContact CE1-CD2 3.8Å; F47-W187 HydrophobicContact CE1-CD2 3.8Å; F47-W187 AromaticContact CE1-CE2 3.46Å; F47-W187 VanDerWaalsContact CE1-CE2 3.46Å; F47-W187 HydrophobicContact CE1-CE3 4.18Å; F47-W187 HydrophobicContact CE1-CG 4.39Å; F47-W187 AromaticContact CE1-CH2 3.98Å; F47-W187 HydrophobicContact CE1-CH2 3.98Å; F47-W187 AromaticContact CE1-CZ2 3.56Å; F47-W187 HydrophobicContact CE1-CZ2 3.56Å; F47-W187 HydrophobicContact CE1-CZ3 4.27Å; F47-W187 AromaticContact CE1-NE1 3.88Å; F47-W187 HydrophobicContact CG-CZ2 4.16Å; F47-W187 AromaticContact CG-NE1 3.93Å; F47-W187 HydrophobicContact CZ-CH2 4.29Å; F47-W187 HydrophobicContact CZ-CZ2 4.13Å; F91-W187 HydrophobicContact CB-CE3 4.2Å; F91-W187 HydrophobicContact CD1-CE3 4.19Å; F91-W187 HydrophobicContact CD1-CH2 4.28Å; F91-W187 AromaticContact CD1-CZ3 3.7Å; F91-W187 HydrophobicContact CD1-CZ3 3.7Å; F91-W187 HydrophobicContact CE1-CZ3 4.45Å
188I87.1Confident85.7Confident83 Ų8365.8 Ų65.843%0.42634%0.337SS..  trans-103-35.9166.4-57.1167.6000108.9Q89 F90 H92 D190Q89-I188 HydrophobicContact CB-CD1 4.25Å; Q89-I188 WeakPolarHBondContact O-CB 3.48Å; F90-I188 PolarHBondContact O-N 2.88Å; H92-I188 HydrophobicContact CB-CD1 4.15Å; I188-D190 PolarHBondContact O-N 2.81Å
189Y85.8Confident86Confident63 Ų6371.8 Ų71.825%0.24737%0.367CS..  trans-76.1112.9178.4-177.4-117.4000111.8A25 K26 F90 P191A25-Y189 HydrophobicContact CB-CD1 4.02Å; A25-Y189 HydrophobicContact CB-CE1 4.14Å; K26-Y189 HydrophobicContact CB-CE1 4.31Å; F90-Y189 AromaticContact CD1-CD1 3.82Å; F90-Y189 HydrophobicContact CD1-CD1 3.82Å; F90-Y189 AromaticContact CD1-CD2 3.93Å; F90-Y189 HydrophobicContact CD1-CD2 3.93Å; F90-Y189 HydrophobicContact CD1-CE1 4.45Å; F90-Y189 AromaticContact CD1-CG 3.52Å; F90-Y189 HydrophobicContact CD1-CG 3.52Å; F90-Y189 HydrophobicContact CE1-CD1 4.13Å; F90-Y189 AromaticContact CE1-CD2 3.93Å; F90-Y189 HydrophobicContact CE1-CD2 3.93Å; F90-Y189 HydrophobicContact CE1-CE1 4.33Å; F90-Y189 HydrophobicContact CE1-CE2 4.16Å; F90-Y189 AromaticContact CE1-CG 3.93Å; F90-Y189 HydrophobicContact CE1-CG 3.93Å; F90-Y189 WeakPolarHBondContact O-CB 3.34Å; F90-Y189 PolarHBondContact O-N 2.82Å; Y189-P191 HydrophobicContact CD1-CG 4.09Å; Y189-P191 HydrophobicContact CE1-CB 3.73Å; Y189-P191 HydrophobicContact CE1-CG 3.65Å; Y189-P191 WeakPolarHBondContact O-CD 3.31Å
190D83.5Confident86.5Confident114 Ų11469.7 Ų69.761%0.6137%0.365SS*.  trans-113.989.8172.6-157.331.8000110.7R29 I188 V192R29-D190 IonicContact CZ-OD1 3.51Å; R29-D190 IonicContact NE-OD1 2.86Å; R29-D190 IonicContact NH2-OD1 3.65Å; R29-D190 PolarHBondContact NH2-OD1 3.05Å; I188-D190 PolarHBondContact O-N 2.81Å; D190-V192 PolarHBondContact O-N 3.36Å
191P80.4Confident87Confident12 Ų1270.8 Ų70.88%0.07837%0.37CS..PPolyproline II helixtrans-67.2122.3175.226-28.2000109.4K26 R29 F30 Y189 H193K26-P191 HydrophobicContact CG-CB 4.17Å; K26-P191 HydrophobicContact CG-CG 4.22Å; R29-P191 HydrophobicContact CB-CG 4.21Å; R29-P191 HydrophobicContact CG-CG 3.88Å; F30-P191 HydrophobicContact CE2-CB 4.29Å; F30-P191 HydrophobicContact CE2-CG 3.79Å; F30-P191 HydrophobicContact CZ-CB 4.29Å; F30-P191 HydrophobicContact CZ-CG 3.71Å; Y189-P191 HydrophobicContact CD1-CG 4.09Å; Y189-P191 HydrophobicContact CE1-CB 3.73Å; Y189-P191 HydrophobicContact CE1-CG 3.65Å; Y189-P191 WeakPolarHBondContact O-CD 3.31Å; P191-H193 PolarHBondContact O-N 3.48Å; P191-H193 VanDerWaalsContact O-N 3.08Å
192V77.6Confident87.5Confident106 Ų10674 Ų7464%0.64238%0.38SS*.PPolyproline II helixtrans-56.4119.2171.9-177.30000108.6D190 F194 T196D190-V192 PolarHBondContact O-N 3.36Å; V192-F194 PolarHBondContact O-N 2.9Å; V192-T196 WeakPolarHBondContact CG1-OG1 3.38Å
193H76.4Confident88Confident69 Ų6972.8 Ų72.832%0.31937%0.373SS..PPolyproline II helixtrans-64.2134.2179.8-157.6-77.3000108.6F30 P191 K195 T196 F197F30-H193 AromaticContact CD1-CD2 3.91Å; F30-H193 AromaticContact CE1-CD2 3.36Å; F30-H193 WeakPolarHBondContact CE1-CD2 3.08Å; F30-H193 HydrophobicContact CZ-CB 4.39Å; F30-H193 AromaticContact CZ-CD2 3.56Å; P191-H193 PolarHBondContact O-N 3.48Å; P191-H193 VanDerWaalsContact O-N 3.08Å; H193-K195 WeakPolarHBondContact ND1-CB 3.32Å; H193-K195 WeakPolarHBondContact ND1-CG 3.37Å; H193-K195 PolarHBondContact ND1-N 3.47Å; H193-K195 PolarHBondContact O-N 2.87Å; H193-T196 HydrophobicContact CB-CG2 4.33Å; H193-T196 PolarHBondContact N-OG1 3.45Å; H193-T196 PolarHBondContact O-N 3.26Å; H193-T196 PolarHBondContact O-OG1 3.2Å; H193-F197 PolarHBondContact O-N 3.38Å
194F79.6Confident88.4Confident144 Ų14474 Ų7463%0.63238%0.384SS*.Hα-helixtrans-56-32.7-179.4-175.1-103.5000111.8V192 T196 F197 V198V192-F194 PolarHBondContact O-N 2.9Å; F194-T196 PolarHBondContact O-N 3.02Å; F194-F197 HydrophobicContact CE2-CD1 4.39Å; F194-F197 WeakPolarHBondContact O-CB 3.47Å; F194-F197 PolarHBondContact O-N 3.44Å; F194-V198 HydrophobicContact CD1-CG2 3.78Å; F194-V198 HydrophobicContact CE1-CG2 3.39Å; F194-V198 HydrophobicContact CE2-CG2 4.35Å; F194-V198 HydrophobicContact CG-CG2 4.42Å; F194-V198 HydrophobicContact CZ-CG2 3.71Å; F194-V198 WeakPolarHBondContact O-CG2 3.43Å; F194-V198 PolarHBondContact O-N 3.28Å
195K84.4Confident88.8Confident149 Ų14978.3 Ų78.365%0.64841%0.405SS*.Hα-helixtrans-56.8-45.8171.3-63.7178.4-177.9177.40113.3H193 F197 V198 M199H193-K195 WeakPolarHBondContact ND1-CB 3.32Å; H193-K195 WeakPolarHBondContact ND1-CG 3.37Å; H193-K195 PolarHBondContact ND1-N 3.47Å; H193-K195 PolarHBondContact O-N 2.87Å; K195-F197 VanDerWaalsContact C-N 3.32Å; K195-V198 PolarHBondContact O-N 3.16Å; K195-M199 WeakPolarHBondContact O-CB 3.47Å; K195-M199 VanDerWaalsContact O-CG 3.23Å; K195-M199 WeakPolarHBondContact O-CG 3.36Å; K195-M199 PolarHBondContact O-N 2.91Å
196T87.6Confident89.1Confident85 Ų8581 Ų8152%0.52143%0.428SS..Hα-helixtrans-69.2-35.4-179.553.60000111.2V192 H193 F194 M199 G200V192-T196 WeakPolarHBondContact CG1-OG1 3.38Å; H193-T196 HydrophobicContact CB-CG2 4.33Å; H193-T196 PolarHBondContact N-OG1 3.45Å; H193-T196 PolarHBondContact O-N 3.26Å; H193-T196 PolarHBondContact O-OG1 3.2Å; F194-T196 PolarHBondContact O-N 3.02Å; T196-M199 PolarHBondContact O-N 3.44Å; T196-G200 PolarHBondContact O-N 3Å
197F90Very high89.4Confident126 Ų12684.9 Ų84.955%0.55345%0.451SS*.Hα-helixtrans-62-48.7171.4178.7-97.8000112.1H193 F194 K195 M199 G200 L201H193-F197 PolarHBondContact O-N 3.38Å; F194-F197 HydrophobicContact CE2-CD1 4.39Å; F194-F197 WeakPolarHBondContact O-CB 3.47Å; F194-F197 PolarHBondContact O-N 3.44Å; K195-F197 VanDerWaalsContact C-N 3.32Å; F197-M199 PolarHBondContact O-N 3.38Å; F197-G200 PolarHBondContact O-N 2.82Å; F197-L201 PolarHBondContact O-N 3.44Å
198V93.8Very high89.6Confident48 Ų4888.1 Ų88.129%0.29147%0.469SS..Hα-helixtrans-62-42.5177.5171.40000111.4F194 K195 G200 L201 I202F194-V198 HydrophobicContact CD1-CG2 3.78Å; F194-V198 HydrophobicContact CE1-CG2 3.39Å; F194-V198 HydrophobicContact CE2-CG2 4.35Å; F194-V198 HydrophobicContact CG-CG2 4.42Å; F194-V198 HydrophobicContact CZ-CG2 3.71Å; F194-V198 WeakPolarHBondContact O-CG2 3.43Å; F194-V198 PolarHBondContact O-N 3.28Å; K195-V198 PolarHBondContact O-N 3.16Å; V198-G200 VanDerWaalsContact C-N 3.33Å; V198-G200 PolarHBondContact O-N 2.96Å; V198-L201 PolarHBondContact O-N 3.4Å; V198-I202 HydrophobicContact CG1-CD1 3.74Å; V198-I202 HydrophobicContact CG1-CG1 4.32Å; V198-I202 VanDerWaalsContact O-CG1 3.26Å; V198-I202 WeakPolarHBondContact O-CG1 3.45Å; V198-I202 PolarHBondContact O-N 2.84Å
199M93.8Very high89.8Confident126 Ų12685.8 Ų85.862%0.62146%0.462SS*.Hα-helixtrans-62.1-40.6175.4-70.9-58.7-6400112K195 T196 F197 I202 L203K195-M199 WeakPolarHBondContact O-CB 3.47Å; K195-M199 VanDerWaalsContact O-CG 3.23Å; K195-M199 WeakPolarHBondContact O-CG 3.36Å; K195-M199 PolarHBondContact O-N 2.91Å; T196-M199 PolarHBondContact O-N 3.44Å; F197-M199 PolarHBondContact O-N 3.38Å; M199-I202 PolarHBondContact O-N 3.4Å; M199-L203 WeakPolarHBondContact O-CB 3.43Å; M199-L203 PolarHBondContact O-N 2.98Å
200G94.1Very high90Very high36 Ų3686 Ų8637%0.37148%0.476SS..Hα-helixtrans-62.2-44.4173.300000112.3T196 F197 V198 L203 V204T196-G200 PolarHBondContact O-N 3Å; F197-G200 PolarHBondContact O-N 2.82Å; V198-G200 VanDerWaalsContact C-N 3.33Å; V198-G200 PolarHBondContact O-N 2.96Å; G200-L203 WeakPolarHBondContact O-CB 3.4Å; G200-L203 PolarHBondContact O-N 3.27Å; G200-V204 WeakPolarHBondContact O-CG2 3.31Å; G200-V204 PolarHBondContact O-N 3Å
201L95.7Very high90.5Very high87 Ų8785.3 Ų85.346%0.45548%0.477SS..Hα-helixtrans-62.9-43.8177-178.864.7000112.1F197 V198 L203 V204 I205F197-L201 PolarHBondContact O-N 3.44Å; V198-L201 PolarHBondContact O-N 3.4Å; L201-L203 VanDerWaalsContact C-N 3.3Å; L201-L203 PolarHBondContact O-N 2.9Å; L201-V204 PolarHBondContact O-N 2.98Å; L201-I205 HydrophobicContact CD1-CD1 4.23Å; L201-I205 HydrophobicContact CD1-CG1 4.45Å; L201-I205 HydrophobicContact CG-CD1 3.95Å; L201-I205 WeakPolarHBondContact O-CG1 3.47Å; L201-I205 PolarHBondContact O-N 3.21Å
202I96.8Very high91Very high94 Ų9488.4 Ų88.448%0.48249%0.492SS..Hα-helixtrans-59.9-42.9176-70.5166.4000110.4V198 M199 I205 A206V198-I202 HydrophobicContact CG1-CD1 3.74Å; V198-I202 HydrophobicContact CG1-CG1 4.32Å; V198-I202 VanDerWaalsContact O-CG1 3.26Å; V198-I202 WeakPolarHBondContact O-CG1 3.45Å; V198-I202 PolarHBondContact O-N 2.84Å; M199-I202 PolarHBondContact O-N 3.4Å; I202-I205 PolarHBondContact O-N 3.27Å; I202-A206 WeakPolarHBondContact O-CB 3.44Å; I202-A206 PolarHBondContact O-N 2.86Å
203L96.1Very high91.4Very high111 Ų11187.8 Ų87.858%0.58148%0.481SS*.Hα-helixtrans-60.8-47.1176.9-170.6162.2000110.9M199 G200 L201 I205 A206 V207M199-L203 WeakPolarHBondContact O-CB 3.43Å; M199-L203 PolarHBondContact O-N 2.98Å; G200-L203 WeakPolarHBondContact O-CB 3.4Å; G200-L203 PolarHBondContact O-N 3.27Å; L201-L203 VanDerWaalsContact C-N 3.3Å; L201-L203 PolarHBondContact O-N 2.9Å; L203-I205 PolarHBondContact O-N 3.09Å; L203-A206 PolarHBondContact O-N 3.21Å; L203-V207 HydrophobicContact CD2-CG2 4.09Å; L203-V207 WeakPolarHBondContact O-CG2 3.32Å; L203-V207 PolarHBondContact O-N 3.38Å
204V96.6Very high91.9Very high77 Ų7789.3 Ų89.347%0.46750%0.497SS..Hα-helixtrans-60.5-46.1177.5172.10000111.3G200 L201 A206 V207 I208G200-V204 WeakPolarHBondContact O-CG2 3.31Å; G200-V204 PolarHBondContact O-N 3Å; L201-V204 PolarHBondContact O-N 2.98Å; V204-A206 VanDerWaalsContact C-N 3.32Å; V204-A206 PolarHBondContact O-N 3.28Å; V204-V207 PolarHBondContact O-N 3.13Å; V204-I208 HydrophobicContact CG1-CD1 3.78Å; V204-I208 HydrophobicContact CG1-CG1 4.49Å; V204-I208 VanDerWaalsContact O-CG1 3.31Å; V204-I208 WeakPolarHBondContact O-CG1 3.41Å; V204-I208 PolarHBondContact O-N 3.04Å
205I96.2Very high92.4Very high96 Ų9689.1 Ų89.149%0.49250%0.502SS..Hα-helixtrans-61.4-41.1176.8-68.2168.5000111L201 I202 L203 V207 I208 A209L201-I205 HydrophobicContact CD1-CD1 4.23Å; L201-I205 HydrophobicContact CD1-CG1 4.45Å; L201-I205 HydrophobicContact CG-CD1 3.95Å; L201-I205 WeakPolarHBondContact O-CG1 3.47Å; L201-I205 PolarHBondContact O-N 3.21Å; I202-I205 PolarHBondContact O-N 3.27Å; L203-I205 PolarHBondContact O-N 3.09Å; I205-V207 PolarHBondContact O-N 3.02Å; I205-I208 PolarHBondContact O-N 2.98Å; I205-A209 VanDerWaalsContact O-CB 3.28Å; I205-A209 WeakPolarHBondContact O-CB 3.48Å; I205-A209 PolarHBondContact O-N 3.32Å
206A94.8Very high92.7Very high58 Ų5884.9 Ų84.948%0.47948%0.482SS..Hα-helixtrans-62.6-42.3178.400000112I202 L203 V204 A209 A210I202-A206 WeakPolarHBondContact O-CB 3.44Å; I202-A206 PolarHBondContact O-N 2.86Å; L203-A206 PolarHBondContact O-N 3.21Å; V204-A206 VanDerWaalsContact C-N 3.32Å; V204-A206 PolarHBondContact O-N 3.28Å; A206-A209 PolarHBondContact O-N 2.93Å; A206-A210 WeakPolarHBondContact O-CB 3.2Å; A206-A210 PolarHBondContact O-N 3.44Å
207V96.2Very high92.9Very high82 Ų8284.8 Ų84.850%0.49748%0.483SS..Hα-helixtrans-64-46.2175.5174.30000110.7L203 V204 I205 A209 A210 T211L203-V207 HydrophobicContact CD2-CG2 4.09Å; L203-V207 WeakPolarHBondContact O-CG2 3.32Å; L203-V207 PolarHBondContact O-N 3.38Å; V204-V207 PolarHBondContact O-N 3.13Å; I205-V207 PolarHBondContact O-N 3.02Å; V207-A209 VanDerWaalsContact C-N 3.34Å; V207-A209 PolarHBondContact O-N 3.41Å; V207-A210 PolarHBondContact O-N 3.44Å; V207-T211 HydrophobicContact CG1-CG2 4.46Å; V207-T211 WeakPolarHBondContact O-CG2 3.41Å; V207-T211 PolarHBondContact O-N 3.46Å; V207-T211 PolarHBondContact O-OG1 2.8Å
208I94.8Very high92.8Very high84 Ų8481.3 Ų81.343%0.43148%0.477SS..Hα-helixtrans-60.3-44.8176.6-67.3167000110.8V204 I205 A210 T211 L212V204-I208 HydrophobicContact CG1-CD1 3.78Å; V204-I208 HydrophobicContact CG1-CG1 4.49Å; V204-I208 VanDerWaalsContact O-CG1 3.31Å; V204-I208 WeakPolarHBondContact O-CG1 3.41Å; V204-I208 PolarHBondContact O-N 3.04Å; I205-I208 PolarHBondContact O-N 2.98Å; I208-A210 VanDerWaalsContact C-N 3.31Å; I208-A210 PolarHBondContact O-N 3.41Å; I208-T211 PolarHBondContact O-N 3.16Å; I208-T211 PolarHBondContact O-OG1 3.35Å; I208-T211 VanDerWaalsContact O-OG1 3.04Å; I208-L212 HydrophobicContact CG2-CD1 3.63Å; I208-L212 HydrophobicContact CG2-CG 4.2Å; I208-L212 VanDerWaalsContact O-CB 3.32Å; I208-L212 WeakPolarHBondContact O-CB 3.28Å; I208-L212 WeakPolarHBondContact O-CG 3.28Å; I208-L212 PolarHBondContact O-N 2.99Å
209A91.3Very high92.6Very high34 Ų3486.3 Ų86.328%0.28150%0.498SS..Hα-helixtrans-61.2-42178.300000111.2I205 A206 V207 L212 F213 W216I205-A209 VanDerWaalsContact O-CB 3.28Å; I205-A209 WeakPolarHBondContact O-CB 3.48Å; I205-A209 PolarHBondContact O-N 3.32Å; A206-A209 PolarHBondContact O-N 2.93Å; V207-A209 VanDerWaalsContact C-N 3.34Å; V207-A209 PolarHBondContact O-N 3.41Å; A209-L212 PolarHBondContact O-N 2.96Å; A209-F213 PolarHBondContact O-N 3.25Å; A209-W216 HydrophobicContact CB-CZ2 4.11Å; A209-W216 VanDerWaalsContact O-CZ2 3.28Å; A209-W216 WeakPolarHBondContact O-CZ2 3.4Å; A209-W216 PolarHBondContact O-NE1 3.3Å
210A90.4Very high92.3Very high67 Ų6785.1 Ų85.155%0.55449%0.492SS*.Hα-helixtrans-65.9-41.3177.100000112.8A206 V207 I208 L212 F213A206-A210 WeakPolarHBondContact O-CB 3.2Å; A206-A210 PolarHBondContact O-N 3.44Å; V207-A210 PolarHBondContact O-N 3.44Å; I208-A210 VanDerWaalsContact C-N 3.31Å; I208-A210 PolarHBondContact O-N 3.41Å; A210-L212 VanDerWaalsContact C-N 3.33Å; A210-F213 VanDerWaalsContact O-CB 3.29Å; A210-F213 WeakPolarHBondContact O-CB 3.31Å; A210-F213 PolarHBondContact O-N 2.94Å
211T93.6Very high92.1Very high100 Ų10089.2 Ų89.261%0.61350%0.496SS*.Hα-helixtrans-72.9-27.3178.158.30000112.7V207 I208 F213 P214V207-T211 HydrophobicContact CG1-CG2 4.46Å; V207-T211 WeakPolarHBondContact O-CG2 3.41Å; V207-T211 PolarHBondContact O-N 3.46Å; V207-T211 PolarHBondContact O-OG1 2.8Å; I208-T211 PolarHBondContact O-N 3.16Å; I208-T211 PolarHBondContact O-OG1 3.35Å; I208-T211 VanDerWaalsContact O-OG1 3.04Å; T211-F213 PolarHBondContact O-N 3.34Å; T211-P214 VanDerWaalsContact O-CD 3.31Å; T211-P214 WeakPolarHBondContact O-CD 3.21Å
212L90.8Very high91.9Very high77 Ų7788.2 Ų88.240%0.40349%0.493SS..THydrogen-bonded Turntrans-80.76.5174-67.3176.9000113.7I208 A209 A210 L215I208-L212 HydrophobicContact CG2-CD1 3.63Å; I208-L212 HydrophobicContact CG2-CG 4.2Å; I208-L212 VanDerWaalsContact O-CB 3.32Å; I208-L212 WeakPolarHBondContact O-CB 3.28Å; I208-L212 WeakPolarHBondContact O-CG 3.28Å; I208-L212 PolarHBondContact O-N 2.99Å; A209-L212 PolarHBondContact O-N 2.96Å; A210-L212 VanDerWaalsContact C-N 3.33Å; L212-L215 HydrophobicContact CD2-CD2 4.44Å; L212-L215 WeakPolarHBondContact O-CA 3.44Å; L212-L215 PolarHBondContact O-N 3.04Å
213F86.9Confident91.6Very high93 Ų9385.7 Ų85.741%0.40849%0.49SS..G310 helixtrans-44.6-38.2175.5-175.9-100.9000114.5A209 A210 T211 L215 W216 R221 V224A209-F213 PolarHBondContact O-N 3.25Å; A210-F213 VanDerWaalsContact O-CB 3.29Å; A210-F213 WeakPolarHBondContact O-CB 3.31Å; A210-F213 PolarHBondContact O-N 2.94Å; T211-F213 PolarHBondContact O-N 3.34Å; F213-L215 VanDerWaalsContact C-N 3.25Å; F213-L215 PolarHBondContact O-N 3.33Å; F213-W216 HydrophobicContact CD2-CD2 4.36Å; F213-W216 HydrophobicContact CD2-CE3 4.32Å; F213-W216 WeakPolarHBondContact O-CB 3.35Å; F213-W216 PolarHBondContact O-N 2.99Å; F213-R221 HydrophobicContact CE2-CG 4.38Å; F213-R221 HydrophobicContact CZ-CG 4.36Å; F213-V224 HydrophobicContact CE2-CB 4.22Å; F213-V224 HydrophobicContact CE2-CG1 4.05Å; F213-V224 HydrophobicContact CE2-CG2 4.34Å
214P87.4Confident91.4Very high102 Ų10283 Ų8366%0.66248%0.478SS*.G310 helixtrans-62.4-26.6175.5-23.935.7000114.9T211T211-P214 VanDerWaalsContact O-CD 3.31Å; T211-P214 WeakPolarHBondContact O-CD 3.21Å
215L89.4Confident91.2Very high140 Ų14086.4 Ų86.473%0.73348%0.484SS*.G310 helixtrans-92.3-0.5-179.7-83.971.8000112.9L212 F213L212-L215 HydrophobicContact CD2-CD2 4.44Å; L212-L215 WeakPolarHBondContact O-CA 3.44Å; L212-L215 PolarHBondContact O-N 3.04Å; F213-L215 VanDerWaalsContact C-N 3.25Å; F213-L215 PolarHBondContact O-N 3.33Å
216W91.3Very high91.2Very high60 Ų6089.3 Ų89.323%0.22749%0.49CS..  trans-68.9142.3-175.3-76.925.3000112.4A209 F213 M220 R221 V224A209-W216 HydrophobicContact CB-CZ2 4.11Å; A209-W216 VanDerWaalsContact O-CZ2 3.28Å; A209-W216 WeakPolarHBondContact O-CZ2 3.4Å; A209-W216 PolarHBondContact O-NE1 3.3Å; F213-W216 HydrophobicContact CD2-CD2 4.36Å; F213-W216 HydrophobicContact CD2-CE3 4.32Å; F213-W216 WeakPolarHBondContact O-CB 3.35Å; F213-W216 PolarHBondContact O-N 2.99Å; W216-M220 HydrophobicContact CB-CB 4.44Å; W216-M220 HydrophobicContact CD2-CB 4.35Å; W216-M220 HydrophobicContact CE3-CB 3.58Å; W216-M220 HydrophobicContact CE3-CE 4.16Å; W216-M220 HydrophobicContact CH2-CE 4.24Å; W216-M220 HydrophobicContact CZ3-CB 4.19Å; W216-M220 HydrophobicContact CZ3-CE 3.74Å; W216-R221 HydrophobicContact CB-CG 4.06Å; W216-R221 PolarHBondContact O-NE 3.49Å; W216-V224 HydrophobicContact CE3-CG2 4.17Å; W216-V224 HydrophobicContact CH2-CG2 4.42Å; W216-V224 HydrophobicContact CZ3-CG2 3.55Å
217P91.2Very high91.1Very high83 Ų8392.8 Ų92.854%0.53950%0.499SS..  trans-59.4152.1173.326.7-33.9000110.6E219 M220 R221P217-E219 VanDerWaalsContact C-N 3.26Å; P217-E219 PolarHBondContact O-N 3.39Å; P217-M220 HydrophobicContact CG-CB 4.09Å; P217-M220 HydrophobicContact CG-CG 3.75Å; P217-M220 PolarHBondContact O-N 3.43Å; P217-M220 VanDerWaalsContact O-N 3.09Å; P217-R221 PolarHBondContact O-N 2.96Å
218A88.1Confident90.9Very high53 Ų5392.6 Ų92.644%0.43850%0.502SS..Hα-helixtrans-54.6-41.4-174.400000112.6M220 R221 V222A218-M220 VanDerWaalsContact C-N 3.34Å; A218-M220 PolarHBondContact O-N 3.25Å; A218-R221 WeakPolarHBondContact O-CB 3.43Å; A218-R221 PolarHBondContact O-N 3.46Å; A218-R221 VanDerWaalsContact O-N 3.16Å; A218-V222 WeakPolarHBondContact O-CG2 3.35Å; A218-V222 PolarHBondContact O-N 3.38Å
219E89Confident91Very high153 Ų15391.6 Ų91.672%0.71550%0.499SS*.Hα-helixtrans-57.5-42178.2-57-53.3136.800113.3P217 V222 G223P217-E219 VanDerWaalsContact C-N 3.26Å; P217-E219 PolarHBondContact O-N 3.39Å; E219-V222 PolarHBondContact O-N 2.83Å; E219-G223 PolarHBondContact O-N 2.92Å
220M87.8Confident91.3Very high101 Ų10191.8 Ų91.850%0.49851%0.505SS..Hα-helixtrans-71.8-33.7179.9-70.5-71.4-69.600111.6W216 P217 A218 V222 G223 V224W216-M220 HydrophobicContact CB-CB 4.44Å; W216-M220 HydrophobicContact CD2-CB 4.35Å; W216-M220 HydrophobicContact CE3-CB 3.58Å; W216-M220 HydrophobicContact CE3-CE 4.16Å; W216-M220 HydrophobicContact CH2-CE 4.24Å; W216-M220 HydrophobicContact CZ3-CB 4.19Å; W216-M220 HydrophobicContact CZ3-CE 3.74Å; P217-M220 HydrophobicContact CG-CB 4.09Å; P217-M220 HydrophobicContact CG-CG 3.75Å; P217-M220 PolarHBondContact O-N 3.43Å; P217-M220 VanDerWaalsContact O-N 3.09Å; A218-M220 VanDerWaalsContact C-N 3.34Å; A218-M220 PolarHBondContact O-N 3.25Å; M220-V222 VanDerWaalsContact C-N 3.35Å; M220-G223 PolarHBondContact O-N 3.03Å; M220-V224 WeakPolarHBondContact O-CG2 3.5Å; M220-V224 PolarHBondContact O-N 3.23Å
221R90.1Very high91.5Very high122 Ų12291.2 Ų91.246%0.4650%0.5SS..Hα-helixtrans-64.9-40.6174-72.1-173.5-88.3144.1-7.3111.5F213 W216 P217 A218 V224 Y225F213-R221 HydrophobicContact CE2-CG 4.38Å; F213-R221 HydrophobicContact CZ-CG 4.36Å; W216-R221 HydrophobicContact CB-CG 4.06Å; W216-R221 PolarHBondContact O-NE 3.49Å; P217-R221 PolarHBondContact O-N 2.96Å; A218-R221 WeakPolarHBondContact O-CB 3.43Å; A218-R221 PolarHBondContact O-N 3.46Å; A218-R221 VanDerWaalsContact O-N 3.16Å; R221-V224 PolarHBondContact O-N 3.39Å; R221-Y225 WeakPolarHBondContact O-CB 3.33Å; R221-Y225 PolarHBondContact O-N 2.8Å
222V91.2Very high91.6Very high66 Ų6688.3 Ų88.340%0.449%0.49SS..Hα-helixtrans-63.8-42.1173.9174.10000110.9A218 E219 M220 Y225 Y226A218-V222 WeakPolarHBondContact O-CG2 3.35Å; A218-V222 PolarHBondContact O-N 3.38Å; E219-V222 PolarHBondContact O-N 2.83Å; M220-V222 VanDerWaalsContact C-N 3.35Å; V222-Y225 WeakPolarHBondContact O-CB 3.12Å; V222-Y225 PolarHBondContact O-N 3.48Å; V222-Y226 HydrophobicContact CG1-CD2 3.58Å; V222-Y226 HydrophobicContact CG1-CE2 3.23Å; V222-Y226 WeakPolarHBondContact O-CD2 3.46Å; V222-Y226 PolarHBondContact O-N 3.46Å
223G91.3Very high91.8Very high40 Ų4088.4 Ų88.441%0.41250%0.497SS..Hα-helixtrans-58.6-47.2174.300000113.3E219 M220 Y225 Y226 L227E219-G223 PolarHBondContact O-N 2.92Å; M220-G223 PolarHBondContact O-N 3.03Å; G223-Y225 VanDerWaalsContact C-N 3.32Å; G223-Y225 PolarHBondContact O-N 3.14Å; G223-Y226 PolarHBondContact O-N 2.96Å; G223-L227 WeakPolarHBondContact O-CB 3.06Å; G223-L227 PolarHBondContact O-N 3.27Å
224V91.4Very high92.1Very high55 Ų5588.7 Ų88.733%0.33350%0.498SS..Hα-helixtrans-63.8-38.2176.3175.70000111.4F213 W216 M220 R221 L227 S228F213-V224 HydrophobicContact CE2-CB 4.22Å; F213-V224 HydrophobicContact CE2-CG1 4.05Å; F213-V224 HydrophobicContact CE2-CG2 4.34Å; W216-V224 HydrophobicContact CE3-CG2 4.17Å; W216-V224 HydrophobicContact CH2-CG2 4.42Å; W216-V224 HydrophobicContact CZ3-CG2 3.55Å; M220-V224 WeakPolarHBondContact O-CG2 3.5Å; M220-V224 PolarHBondContact O-N 3.23Å; R221-V224 PolarHBondContact O-N 3.39Å; V224-L227 PolarHBondContact O-N 3.47Å; V224-S228 VanDerWaalsContact O-CB 3.28Å; V224-S228 WeakPolarHBondContact O-CB 3.39Å; V224-S228 PolarHBondContact O-N 2.97Å
225Y92.1Very high92.3Very high149 Ų14988.4 Ų88.458%0.58449%0.494SS*.Hα-helixtrans-60.3-51.8174.8172.2-98.2000111.7R221 V222 G223 L227 S228 V229R221-Y225 WeakPolarHBondContact O-CB 3.33Å; R221-Y225 PolarHBondContact O-N 2.8Å; V222-Y225 WeakPolarHBondContact O-CB 3.12Å; V222-Y225 PolarHBondContact O-N 3.48Å; G223-Y225 VanDerWaalsContact C-N 3.32Å; G223-Y225 PolarHBondContact O-N 3.14Å; Y225-L227 VanDerWaalsContact C-N 3.31Å; Y225-L227 PolarHBondContact O-N 2.75Å; Y225-S228 WeakPolarHBondContact O-CB 3.41Å; Y225-S228 PolarHBondContact O-N 3.12Å; Y225-V229 HydrophobicContact CD1-CG2 4.39Å; Y225-V229 HydrophobicContact CD2-CG2 4.32Å; Y225-V229 HydrophobicContact CE1-CG2 3.99Å; Y225-V229 HydrophobicContact CE2-CG2 3.92Å; Y225-V229 WeakPolarHBondContact O-CG2 3.4Å; Y225-V229 PolarHBondContact O-N 2.89Å
226Y95.3Very high92.4Very high157 Ų15784.3 Ų84.362%0.61648%0.481SS*.Hα-helixtrans-64.1-35.9177.8-73.4-59.3000112.8V222 G223 G230V222-Y226 HydrophobicContact CG1-CD2 3.58Å; V222-Y226 HydrophobicContact CG1-CE2 3.23Å; V222-Y226 WeakPolarHBondContact O-CD2 3.46Å; V222-Y226 PolarHBondContact O-N 3.46Å; G223-Y226 PolarHBondContact O-N 2.96Å; Y226-G230 PolarHBondContact O-N 3.38Å
227L93.4Very high92.4Very high130 Ų13084 Ų8468%0.68149%0.487SS*.Hα-helixtrans-65-42174.5-174.666.6000111.5G223 V224 Y225 G230 A231G223-L227 WeakPolarHBondContact O-CB 3.06Å; G223-L227 PolarHBondContact O-N 3.27Å; V224-L227 PolarHBondContact O-N 3.47Å; Y225-L227 VanDerWaalsContact C-N 3.31Å; Y225-L227 PolarHBondContact O-N 2.75Å; L227-G230 PolarHBondContact O-N 2.8Å; L227-A231 WeakPolarHBondContact O-CB 3.29Å; L227-A231 PolarHBondContact O-N 3.43Å
228S93.1Very high92.3Very high79 Ų7982.6 Ų82.655%0.55248%0.475SS*.Hα-helixtrans-64.7-45.9176.3-177.10000111.5V224 Y225 G230 A231 G232V224-S228 VanDerWaalsContact O-CB 3.28Å; V224-S228 WeakPolarHBondContact O-CB 3.39Å; V224-S228 PolarHBondContact O-N 2.97Å; Y225-S228 WeakPolarHBondContact O-CB 3.41Å; Y225-S228 PolarHBondContact O-N 3.12Å; S228-G230 VanDerWaalsContact C-N 3.35Å; S228-G230 PolarHBondContact O-N 2.82Å; S228-A231 PolarHBondContact O-N 2.79Å; S228-G232 PolarHBondContact O-N 3.29Å
229V96.3Very high92.3Very high62 Ų6285.7 Ų85.738%0.37648%0.483SS..Hα-helixtrans-61.3-44.4174.1173.80000110.4Y225 G232 C233Y225-V229 HydrophobicContact CD1-CG2 4.39Å; Y225-V229 HydrophobicContact CD2-CG2 4.32Å; Y225-V229 HydrophobicContact CE1-CG2 3.99Å; Y225-V229 HydrophobicContact CE2-CG2 3.92Å; Y225-V229 WeakPolarHBondContact O-CG2 3.4Å; Y225-V229 PolarHBondContact O-N 2.89Å; V229-G232 PolarHBondContact O-N 3.27Å; V229-C233 WeakPolarHBondContact O-CB 3.29Å; V229-C233 PolarHBondContact O-N 2.84Å; V229-C233 PolarHBondContact O-SG 2.86Å
230G96.4Very high92.3Very high39 Ų3984 Ų8440%0.40248%0.478SS..Hα-helixtrans-61.5-45.2176.900000112.9Y226 L227 S228 C233 F234Y226-G230 PolarHBondContact O-N 3.38Å; L227-G230 PolarHBondContact O-N 2.8Å; S228-G230 VanDerWaalsContact C-N 3.35Å; S228-G230 PolarHBondContact O-N 2.82Å; G230-C233 PolarHBondContact O-N 3.4Å; G230-F234 WeakPolarHBondContact O-CB 3.37Å; G230-F234 PolarHBondContact O-N 2.97Å
231A95.3Very high92.3Very high54 Ų5482 Ų8245%0.44647%0.469SS..Hα-helixtrans-63.7-41.6174.600000111.6L227 S228 F234 V235L227-A231 WeakPolarHBondContact O-CB 3.29Å; L227-A231 PolarHBondContact O-N 3.43Å; S228-A231 PolarHBondContact O-N 2.79Å; A231-F234 WeakPolarHBondContact O-CB 3.49Å; A231-F234 PolarHBondContact O-N 3.41Å; A231-V235 WeakPolarHBondContact O-CG2 3.31Å; A231-V235 PolarHBondContact O-N 3.38Å
232G95.6Very high92.1Very high40 Ų4077.6 Ų77.641%0.41246%0.459SS..Hα-helixtrans-61.9-46.9174.300000112.4S228 V229 F234 V235 A236S228-G232 PolarHBondContact O-N 3.29Å; V229-G232 PolarHBondContact O-N 3.27Å; G232-F234 VanDerWaalsContact C-N 3.31Å; G232-F234 PolarHBondContact O-N 3.3Å; G232-V235 PolarHBondContact O-N 2.94Å; G232-A236 VanDerWaalsContact O-CB 3.28Å; G232-A236 WeakPolarHBondContact O-CB 3.48Å; G232-A236 PolarHBondContact O-N 3.29Å
233C94.7Very high91.9Very high79 Ų7977.9 Ų77.953%0.53446%0.461SS..Hα-helixtrans-60.5-40.8174.1-73.30000111.6V229 G230 A236 S237V229-C233 WeakPolarHBondContact O-CB 3.29Å; V229-C233 PolarHBondContact O-N 2.84Å; V229-C233 PolarHBondContact O-SG 2.86Å; G230-C233 PolarHBondContact O-N 3.4Å; C233-A236 PolarHBondContact O-N 3.48Å; C233-S237 VanDerWaalsContact O-CB 3.28Å; C233-S237 WeakPolarHBondContact O-CB 3.41Å; C233-S237 PolarHBondContact O-N 3.27Å; C233-S237 PolarHBondContact O-OG 2.92Å
234F92.8Very high91.7Very high99 Ų9977.5 Ų77.543%0.43445%0.454SS..Hα-helixtrans-62.6-48.1176.1176.5-103.2000111.5G230 A231 G232 S237 I238 F274G230-F234 WeakPolarHBondContact O-CB 3.37Å; G230-F234 PolarHBondContact O-N 2.97Å; A231-F234 WeakPolarHBondContact O-CB 3.49Å; A231-F234 PolarHBondContact O-N 3.41Å; G232-F234 VanDerWaalsContact C-N 3.31Å; G232-F234 PolarHBondContact O-N 3.3Å; F234-S237 PolarHBondContact O-N 3.42Å; F234-S237 PolarHBondContact O-OG 3.31Å; F234-I238 HydrophobicContact CD1-CD1 4.12Å; F234-I238 HydrophobicContact CE1-CD1 3.58Å; F234-I238 HydrophobicContact CE2-CD1 4.17Å; F234-I238 HydrophobicContact CZ-CD1 3.64Å; F234-I238 PolarHBondContact O-N 3.19Å; F234-I238 VanDerWaalsContact O-N 3.12Å; F234-F274 AromaticContact CE2-CE2 3.97Å; F234-F274 HydrophobicContact CE2-CE2 3.97Å; F234-F274 HydrophobicContact CE2-CZ 4.21Å; F234-F274 HydrophobicContact CZ-CD2 4.36Å; F234-F274 AromaticContact CZ-CE2 3.54Å; F234-F274 HydrophobicContact CZ-CE2 3.54Å; F234-F274 HydrophobicContact CZ-CZ 4.14Å
235V91.8Very high91.4Very high95 Ų9576 Ų7658%0.57644%0.442SS*.Hα-helixtrans-61.8-45.8175.51730000111.3A231 G232 S237 I238 L239A231-V235 WeakPolarHBondContact O-CG2 3.31Å; A231-V235 PolarHBondContact O-N 3.38Å; G232-V235 PolarHBondContact O-N 2.94Å; V235-S237 VanDerWaalsContact C-N 3.29Å; V235-S237 PolarHBondContact O-N 2.77Å; V235-I238 PolarHBondContact O-N 2.81Å; V235-L239 PolarHBondContact O-N 3.37Å
236A93.1Very high91Very high55 Ų5572.5 Ų72.546%0.45544%0.439SS..Hα-helixtrans-60.6-38.3176.800000112G232 C233 L239 L240G232-A236 VanDerWaalsContact O-CB 3.28Å; G232-A236 WeakPolarHBondContact O-CB 3.48Å; G232-A236 PolarHBondContact O-N 3.29Å; C233-A236 PolarHBondContact O-N 3.48Å; A236-L239 PolarHBondContact O-N 3.47Å; A236-L240 WeakPolarHBondContact O-CB 3.33Å; A236-L240 PolarHBondContact O-N 3.38Å
237S90.3Very high90.6Very high52 Ų5269.2 Ų69.236%0.36443%0.431SS..Hα-helixtrans-65-41.5177.576.40000112.3C233 F234 V235 L239 L240 L241C233-S237 VanDerWaalsContact O-CB 3.28Å; C233-S237 WeakPolarHBondContact O-CB 3.41Å; C233-S237 PolarHBondContact O-N 3.27Å; C233-S237 PolarHBondContact O-OG 2.92Å; F234-S237 PolarHBondContact O-N 3.42Å; F234-S237 PolarHBondContact O-OG 3.31Å; V235-S237 VanDerWaalsContact C-N 3.29Å; V235-S237 PolarHBondContact O-N 2.77Å; S237-L239 VanDerWaalsContact C-N 3.34Å; S237-L240 PolarHBondContact O-N 2.87Å; S237-L241 WeakPolarHBondContact O-CB 3.28Å; S237-L241 VanDerWaalsContact O-CG 3.27Å; S237-L241 WeakPolarHBondContact O-CG 3.34Å; S237-L241 PolarHBondContact O-N 3.27Å
238I89.1Confident90.2Very high55 Ų5566.2 Ų66.228%0.28242%0.415SS..Hα-helixtrans-64.9-41.7176-66.7172.4000110.2F234 V235 L241 A242F234-I238 HydrophobicContact CD1-CD1 4.12Å; F234-I238 HydrophobicContact CE1-CD1 3.58Å; F234-I238 HydrophobicContact CE2-CD1 4.17Å; F234-I238 HydrophobicContact CZ-CD1 3.64Å; F234-I238 PolarHBondContact O-N 3.19Å; F234-I238 VanDerWaalsContact O-N 3.12Å; V235-I238 PolarHBondContact O-N 2.81Å; I238-L241 PolarHBondContact O-N 2.9Å; I238-A242 PolarHBondContact O-N 2.67Å
239L88.7Confident89.7Confident117 Ų11764.4 Ų64.461%0.61340%0.397SS*.Hα-helixtrans-65.6-43.7177.6-171.6142.9000111.9V235 A236 S237 L241 A242 V243V235-L239 PolarHBondContact O-N 3.37Å; A236-L239 PolarHBondContact O-N 3.47Å; S237-L239 VanDerWaalsContact C-N 3.34Å; L239-L241 VanDerWaalsContact C-N 3.34Å; L239-L241 PolarHBondContact O-N 3.42Å; L239-A242 WeakPolarHBondContact O-CB 3.49Å; L239-A242 PolarHBondContact O-N 3.25Å; L239-V243 HydrophobicContact CD2-CG2 4.38Å; L239-V243 WeakPolarHBondContact O-CG2 3.37Å; L239-V243 PolarHBondContact O-N 2.81Å
240L89.5Confident89.1Confident118 Ų11866.4 Ų66.462%0.61841%0.406SS*.Hα-helixtrans-63.2-40.8175.8-169.3152.4000111.2A236 S237 A242 V243 A244A236-L240 WeakPolarHBondContact O-CB 3.33Å; A236-L240 PolarHBondContact O-N 3.38Å; S237-L240 PolarHBondContact O-N 2.87Å; L240-A242 VanDerWaalsContact C-N 3.32Å; L240-A242 PolarHBondContact O-N 3.12Å; L240-V243 PolarHBondContact O-N 3.44Å; L240-A244 VanDerWaalsContact O-CB 3.3Å; L240-A244 WeakPolarHBondContact O-CB 3.41Å; L240-A244 PolarHBondContact O-N 2.82Å
241L86.9Confident88.5Confident58 Ų5868.5 Ų68.530%0.30441%0.407SS..Hα-helixtrans-61.6-38.8173.4-76.1170.5000112.2S237 I238 L239 A244 R245 L268S237-L241 WeakPolarHBondContact O-CB 3.28Å; S237-L241 VanDerWaalsContact O-CG 3.27Å; S237-L241 WeakPolarHBondContact O-CG 3.34Å; S237-L241 PolarHBondContact O-N 3.27Å; I238-L241 PolarHBondContact O-N 2.9Å; L239-L241 VanDerWaalsContact C-N 3.34Å; L239-L241 PolarHBondContact O-N 3.42Å; L241-A244 PolarHBondContact O-N 2.87Å; L241-R245 WeakPolarHBondContact O-CB 3.34Å; L241-R245 PolarHBondContact O-N 3.22Å; L241-L268 HydrophobicContact CB-CD2 3.99Å
242A85.9Confident87.9Confident30 Ų3068 Ų6825%0.24840%0.396CS..Hα-helixtrans-64.7-41.4174.700000112.1I238 L239 L240 R245 C246I238-A242 PolarHBondContact O-N 2.67Å; L239-A242 WeakPolarHBondContact O-CB 3.49Å; L239-A242 PolarHBondContact O-N 3.25Å; L240-A242 VanDerWaalsContact C-N 3.32Å; L240-A242 PolarHBondContact O-N 3.12Å; A242-R245 WeakPolarHBondContact O-CB 3.48Å; A242-R245 PolarHBondContact O-N 2.67Å; A242-C246 PolarHBondContact O-N 2.7Å; A242-C246 PolarHBondContact O-SG 3.04Å; A242-C246 VanDerWaalsContact O-SG 3.41Å
243V87.6Confident87.3Confident73 Ų7371.7 Ų71.744%0.44240%0.397SS..Hα-helixtrans-67.1-44.8174.61750000111.2L239 L240 R245 C246 I247L239-V243 HydrophobicContact CD2-CG2 4.38Å; L239-V243 WeakPolarHBondContact O-CG2 3.37Å; L239-V243 PolarHBondContact O-N 2.81Å; L240-V243 PolarHBondContact O-N 3.44Å; V243-R245 VanDerWaalsContact C-N 3.28Å; V243-R245 PolarHBondContact O-N 3.14Å; V243-C246 WeakPolarHBondContact O-CA 3.28Å; V243-C246 WeakPolarHBondContact O-CB 3.4Å; V243-C246 PolarHBondContact O-N 2.98Å; V243-I247 HydrophobicContact CG1-CD1 3.84Å; V243-I247 HydrophobicContact CG1-CG1 4.36Å; V243-I247 WeakPolarHBondContact O-CG1 3.27Å; V243-I247 PolarHBondContact O-N 3.03Å
244A86.9Confident86.8Confident32 Ų3274.2 Ų74.226%0.26441%0.405SS..Hα-helixtrans-58.7-40.2177.100000111.4L240 L241 C246 I247 L248L240-A244 VanDerWaalsContact O-CB 3.3Å; L240-A244 WeakPolarHBondContact O-CB 3.41Å; L240-A244 PolarHBondContact O-N 2.82Å; L241-A244 PolarHBondContact O-N 2.87Å; A244-C246 PolarHBondContact O-N 2.85Å; A244-I247 PolarHBondContact O-N 3.19Å; A244-L248 WeakPolarHBondContact O-CB 3.28Å; A244-L248 VanDerWaalsContact O-CG 3.27Å; A244-L248 WeakPolarHBondContact O-CG 3.46Å; A244-L248 PolarHBondContact O-N 3.48Å
245R84.8Confident86.4Confident23 Ų2376 Ų769%0.08742%0.418CS..Hα-helixtrans-57.2-45.8171170.8-162.8177113-41111.9L241 A242 V243 L248 F249 F264 L265 P266L241-R245 WeakPolarHBondContact O-CB 3.34Å; L241-R245 PolarHBondContact O-N 3.22Å; A242-R245 WeakPolarHBondContact O-CB 3.48Å; A242-R245 PolarHBondContact O-N 2.67Å; V243-R245 VanDerWaalsContact C-N 3.28Å; V243-R245 PolarHBondContact O-N 3.14Å; R245-L248 PolarHBondContact O-N 3.39Å; R245-F249 WeakPolarHBondContact O-CB 3.45Å; R245-F249 PolarHBondContact O-N 3.39Å; R245-F264 WeakPolarHBondContact CG-O 3.04Å; R245-F264 PolarHBondContact NH1-O 2.8Å; R245-L265 PolarHBondContact NH1-O 3.09Å; R245-P266 PolarHBondContact NH2-O 3.43Å
246C82.4Confident85.6Confident75 Ų7573.6 Ų73.651%0.50740%0.404SS..Hα-helixtrans-63.1-43.5177.8-67.60000111.7A242 V243 A244 F249 L250A242-C246 PolarHBondContact O-N 2.7Å; A242-C246 PolarHBondContact O-SG 3.04Å; A242-C246 VanDerWaalsContact O-SG 3.41Å; V243-C246 WeakPolarHBondContact O-CA 3.28Å; V243-C246 WeakPolarHBondContact O-CB 3.4Å; V243-C246 PolarHBondContact O-N 2.98Å; A244-C246 PolarHBondContact O-N 2.85Å; C246-F249 PolarHBondContact O-N 2.82Å; C246-L250 WeakPolarHBondContact O-CG 3.42Å; C246-L250 PolarHBondContact O-N 3.31Å
247I87.7Confident84.7Confident88 Ų8874.1 Ų74.145%0.45141%0.414SS..Hα-helixtrans-64.5-46178.6-65.1169000110.8V243 A244 F249 L250 I251V243-I247 HydrophobicContact CG1-CD1 3.84Å; V243-I247 HydrophobicContact CG1-CG1 4.36Å; V243-I247 WeakPolarHBondContact O-CG1 3.27Å; V243-I247 PolarHBondContact O-N 3.03Å; A244-I247 PolarHBondContact O-N 3.19Å; I247-F249 VanDerWaalsContact C-N 3.29Å; I247-F249 PolarHBondContact O-N 3.44Å; I247-L250 PolarHBondContact O-N 3.04Å; I247-L250 VanDerWaalsContact O-N 3.16Å; I247-I251 HydrophobicContact CG2-CD1 3.69Å; I247-I251 HydrophobicContact CG2-CG1 4.28Å; I247-I251 WeakPolarHBondContact O-CG1 3.26Å; I247-I251 PolarHBondContact O-N 3.27Å
248L84.5Confident83.8Confident67 Ų6772.8 Ų72.835%0.35141%0.408SS..Hα-helixtrans-59.3-41.5176.4-73.7172.3000111.7A244 R245 I252 F264A244-L248 WeakPolarHBondContact O-CB 3.28Å; A244-L248 VanDerWaalsContact O-CG 3.27Å; A244-L248 WeakPolarHBondContact O-CG 3.46Å; A244-L248 PolarHBondContact O-N 3.48Å; R245-L248 PolarHBondContact O-N 3.39Å; L248-I252 WeakPolarHBondContact O-CB 3.35Å; L248-I252 WeakPolarHBondContact O-CD1 3.48Å; L248-I252 VanDerWaalsContact O-CG1 3.3Å; L248-I252 WeakPolarHBondContact O-CG1 3.46Å; L248-I252 PolarHBondContact O-N 2.84Å; L248-F264 HydrophobicContact CD1-CB 4.26Å; L248-F264 HydrophobicContact CD1-CG 4.33Å
249F82.8Confident82.7Confident41 Ų4176.5 Ų76.518%0.1842%0.419CS..Hα-helixtrans-61.1-47.2174.2177.7-103.5000111.8R245 C246 I247 I251 I252 W253 H261 W263R245-F249 WeakPolarHBondContact O-CB 3.45Å; R245-F249 PolarHBondContact O-N 3.39Å; C246-F249 PolarHBondContact O-N 2.82Å; I247-F249 VanDerWaalsContact C-N 3.29Å; I247-F249 PolarHBondContact O-N 3.44Å; F249-I251 PolarHBondContact O-N 2.96Å; F249-I252 PolarHBondContact O-N 3.46Å; F249-W253 WeakPolarHBondContact O-CB 3.44Å; F249-W253 PolarHBondContact O-N 2.98Å; F249-H261 HydrophobicContact CE2-CB 3.99Å; F249-H261 AromaticContact CE2-ND1 3.26Å; F249-H261 VanDerWaalsContact CE2-ND1 3.26Å; F249-H261 WeakPolarHBondContact CE2-ND1 3.3Å; F249-H261 AromaticContact CZ-ND1 3.35Å; F249-H261 VanDerWaalsContact CZ-ND1 3.35Å; F249-H261 WeakPolarHBondContact CZ-ND1 3.41Å; F249-W263 HydrophobicContact CB-CZ3 4.47Å; F249-W263 HydrophobicContact CD1-CZ3 4.15Å; F249-W263 AromaticContact CD2-CE3 3.51Å; F249-W263 HydrophobicContact CD2-CE3 3.51Å; F249-W263 AromaticContact CD2-CZ3 3.32Å; F249-W263 HydrophobicContact CD2-CZ3 3.32Å; F249-W263 HydrophobicContact CE1-CZ3 4.19Å; F249-W263 AromaticContact CE2-CE3 3.79Å; F249-W263 HydrophobicContact CE2-CE3 3.79Å; F249-W263 AromaticContact CE2-CZ3 3.36Å; F249-W263 HydrophobicContact CE2-CZ3 3.36Å; F249-W263 HydrophobicContact CG-CE3 4.16Å; F249-W263 AromaticContact CG-CZ3 3.71Å; F249-W263 HydrophobicContact CG-CZ3 3.71Å; F249-W263 AromaticContact CZ-CZ3 3.81Å; F249-W263 HydrophobicContact CZ-CZ3 3.81Å
250L83.4Confident81.7Confident105 Ų10573 Ų7355%0.5540%0.399SS..Hα-helixtrans-61.9-43.7179.1-71174.4000112.4C246 I247 W253 L254C246-L250 WeakPolarHBondContact O-CG 3.42Å; C246-L250 PolarHBondContact O-N 3.31Å; I247-L250 PolarHBondContact O-N 3.04Å; I247-L250 VanDerWaalsContact O-N 3.16Å; L250-W253 PolarHBondContact O-N 3.18Å; L250-L254 VanDerWaalsContact O-CB 3.28Å; L250-L254 WeakPolarHBondContact O-CB 3.44Å; L250-L254 PolarHBondContact O-N 3.34Å
251I85.4Confident80.9Confident82 Ų8269.5 Ų69.542%0.42138%0.38SS..Hα-helixtrans-62.4-49.6178.9-68.8169.9000110.5I247 F249 W253 L254 I255I247-I251 HydrophobicContact CG2-CD1 3.69Å; I247-I251 HydrophobicContact CG2-CG1 4.28Å; I247-I251 WeakPolarHBondContact O-CG1 3.26Å; I247-I251 PolarHBondContact O-N 3.27Å; F249-I251 PolarHBondContact O-N 2.96Å; I251-W253 VanDerWaalsContact C-N 3.33Å; I251-W253 PolarHBondContact O-N 2.78Å; I251-L254 PolarHBondContact O-N 3.46Å; I251-I255 HydrophobicContact CG2-CD1 3.6Å; I251-I255 HydrophobicContact CG2-CG1 4.4Å; I251-I255 WeakPolarHBondContact O-CB 3.42Å; I251-I255 VanDerWaalsContact O-CG1 3.29Å; I251-I255 WeakPolarHBondContact O-CG1 3.27Å; I251-I255 PolarHBondContact O-N 3.25Å
252I82.8Confident80.3Confident44 Ų4468.8 Ų68.823%0.22637%0.374CS..Hα-helixtrans-66.6-38.8-178.8-67.8166.9000110.9L248 F249 T256 H260 F262L248-I252 WeakPolarHBondContact O-CB 3.35Å; L248-I252 WeakPolarHBondContact O-CD1 3.48Å; L248-I252 VanDerWaalsContact O-CG1 3.3Å; L248-I252 WeakPolarHBondContact O-CG1 3.46Å; L248-I252 PolarHBondContact O-N 2.84Å; F249-I252 PolarHBondContact O-N 3.46Å; I252-T256 VanDerWaalsContact O-CB 3.3Å; I252-T256 WeakPolarHBondContact O-CB 3.4Å; I252-T256 PolarHBondContact O-N 2.93Å; I252-T256 PolarHBondContact O-OG1 3.31Å; I252-H260 HydrophobicContact CG2-CB 4.18Å; I252-F262 HydrophobicContact CB-CB 4.44Å; I252-F262 HydrophobicContact CD1-CB 3.44Å; I252-F262 VanDerWaalsContact CD1-CB 3.44Å; I252-F262 HydrophobicContact CD1-CD1 3.36Å; I252-F262 HydrophobicContact CD1-CE1 4.21Å; I252-F262 HydrophobicContact CD1-CG 3.53Å; I252-F262 HydrophobicContact CG2-CB 4.01Å
253W81.9Confident79.7Confident117 Ų11772.3 Ų72.344%0.44338%0.381SS..Hα-helixtrans-63-44.2175.4-177.485.3000112F249 L250 I251 G257 G258F249-W253 WeakPolarHBondContact O-CB 3.44Å; F249-W253 PolarHBondContact O-N 2.98Å; L250-W253 PolarHBondContact O-N 3.18Å; I251-W253 VanDerWaalsContact C-N 3.33Å; I251-W253 PolarHBondContact O-N 2.78Å; W253-G257 PolarHBondContact O-N 3.41Å; W253-G257 VanDerWaalsContact O-N 3.13Å; W253-G258 PolarHBondContact O-N 3.22Å
254L83.8Confident78.8Confident133 Ų13371.7 Ų71.770%0.69637%0.373SS*.Hα-helixtrans-66.9-48.3178.5-171.770.8000111.8L250 I251 T256 G257L250-L254 VanDerWaalsContact O-CB 3.28Å; L250-L254 WeakPolarHBondContact O-CB 3.44Å; L250-L254 PolarHBondContact O-N 3.34Å; I251-L254 PolarHBondContact O-N 3.46Å; L254-T256 VanDerWaalsContact C-N 3.27Å; L254-T256 PolarHBondContact O-N 3.5Å; L254-G257 PolarHBondContact O-N 3.48Å
255I83.9Confident78Confident135 Ų13570.7 Ų70.769%0.69236%0.363SS*.Hα-helixtrans-63.5-36.8-179.7-69.5172.5000111I251I251-I255 HydrophobicContact CG2-CD1 3.6Å; I251-I255 HydrophobicContact CG2-CG1 4.4Å; I251-I255 WeakPolarHBondContact O-CB 3.42Å; I251-I255 VanDerWaalsContact O-CG1 3.29Å; I251-I255 WeakPolarHBondContact O-CG1 3.27Å; I251-I255 PolarHBondContact O-N 3.25Å
256T77.1Confident77.1Confident46 Ų4670.7 Ų70.728%0.28237%0.366SS..THydrogen-bonded Turntrans-99.714.7-174.4-22.30000114I252 L254 G258 R259 H260I252-T256 VanDerWaalsContact O-CB 3.3Å; I252-T256 WeakPolarHBondContact O-CB 3.4Å; I252-T256 PolarHBondContact O-N 2.93Å; I252-T256 PolarHBondContact O-OG1 3.31Å; L254-T256 VanDerWaalsContact C-N 3.27Å; L254-T256 PolarHBondContact O-N 3.5Å; T256-G258 PolarHBondContact O-N 2.87Å; T256-R259 WeakPolarHBondContact O-CB 3.3Å; T256-R259 PolarHBondContact O-N 2.99Å; T256-R259 VanDerWaalsContact O-N 3.13Å; T256-H260 HydrophobicContact CG2-CB 4.24Å; T256-H260 WeakPolarHBondContact CG2-CD2 3.46Å; T256-H260 WeakPolarHBondContact CG2-NE2 3.1Å
257G73.9Confident76.5Confident65 Ų6569.5 Ų69.567%0.6735%0.354SS*.THydrogen-bonded Turntrans56.335.8174.400000113.5W253 L254 R259W253-G257 PolarHBondContact O-N 3.41Å; W253-G257 VanDerWaalsContact O-N 3.13Å; L254-G257 PolarHBondContact O-N 3.48Å; G257-R259 PolarHBondContact O-N 3.47Å
258G71.2Confident75.7Confident24 Ų2466.3 Ų66.325%0.24734%0.338CS..THydrogen-bonded Turntrans78.78.417900000116.7W253 T256W253-G258 PolarHBondContact O-N 3.22Å; T256-G258 PolarHBondContact O-N 2.87Å
259R65.9Low74.9Confident133 Ų13368.1 Ų68.150%0.50235%0.352SS..  trans-89.5-19.1-176.5-66.5176169.6149.3-1.9114.9T256 G257 Y286 K287T256-R259 WeakPolarHBondContact O-CB 3.3Å; T256-R259 PolarHBondContact O-N 2.99Å; T256-R259 VanDerWaalsContact O-N 3.13Å; G257-R259 PolarHBondContact O-N 3.47Å; R259-Y286 HydrophobicContact CB-CE2 4.09Å; R259-Y286 WeakPolarHBondContact O-CD2 3.26Å; R259-K287 PolarHBondContact O-N 3.06Å
260H67.5Low74.6Confident44 Ų4468 Ų6820%0.20436%0.359CS..EExtended strand (participates in β ladder)trans-121.9125.3-177.5-68.2-118.5000110.4I252 T256 H284 Y286I252-H260 HydrophobicContact CG2-CB 4.18Å; T256-H260 HydrophobicContact CG2-CB 4.24Å; T256-H260 WeakPolarHBondContact CG2-CD2 3.46Å; T256-H260 WeakPolarHBondContact CG2-NE2 3.1Å; H260-H284 AromaticContact CE1-CE1 3.92Å; H260-H284 AromaticContact CE1-NE2 3.89Å; H260-H284 AromaticContact CG-NE2 3.7Å; H260-H284 AromaticContact ND1-CE1 3.19Å; H260-H284 PolarHBondContact ND1-CE1 2.91Å; H260-H284 AromaticContact ND1-NE2 2.85Å; H260-H284 PolarHBondContact ND1-NE2 2.98Å; H260-Y286 AromaticContact CD2-CD2 3.38Å; H260-Y286 WeakPolarHBondContact CD2-CD2 3.49Å; H260-Y286 AromaticContact CD2-CE2 3.52Å; H260-Y286 AromaticContact CE1-CD2 3.26Å; H260-Y286 WeakPolarHBondContact CE1-CD2 3.02Å; H260-Y286 AromaticContact CE1-CE2 3.62Å; H260-Y286 AromaticContact CG-CD2 3.76Å; H260-Y286 AromaticContact ND1-CD2 3.65Å; H260-Y286 AromaticContact NE2-CD2 3.1Å; H260-Y286 WeakPolarHBondContact NE2-CD2 3.01Å; H260-Y286 AromaticContact NE2-CE2 3.02Å; H260-Y286 WeakPolarHBondContact NE2-CE2 3.38Å
261H71.4Confident73.9Confident44 Ų4471.6 Ų71.620%0.20438%0.379CS..EExtended strand (participates in β ladder)trans-106.5100.8171.3-64.5-66.3000108.7F249 E285 K287F249-H261 HydrophobicContact CE2-CB 3.99Å; F249-H261 AromaticContact CE2-ND1 3.26Å; F249-H261 VanDerWaalsContact CE2-ND1 3.26Å; F249-H261 WeakPolarHBondContact CE2-ND1 3.3Å; F249-H261 AromaticContact CZ-ND1 3.35Å; F249-H261 VanDerWaalsContact CZ-ND1 3.35Å; F249-H261 WeakPolarHBondContact CZ-ND1 3.41Å; H261-E285 HydrophobicContact CB-CB 4.36Å; H261-E285 PolarHBondContact N-O 2.67Å; H261-E285 PolarHBondContact O-N 3.35Å; H261-K287 PolarHBondContact NE2-NZ 3.46Å
262F75.8Confident73.3Confident44 Ų4470.5 Ų70.519%0.19338%0.376CS..EExtended strand (participates in β ladder)trans-97.8127.5173.6-179.3-98.4000110.1I252 F264 Y282 H284I252-F262 HydrophobicContact CB-CB 4.44Å; I252-F262 HydrophobicContact CD1-CB 3.44Å; I252-F262 VanDerWaalsContact CD1-CB 3.44Å; I252-F262 HydrophobicContact CD1-CD1 3.36Å; I252-F262 HydrophobicContact CD1-CE1 4.21Å; I252-F262 HydrophobicContact CD1-CG 3.53Å; I252-F262 HydrophobicContact CG2-CB 4.01Å; F262-F264 HydrophobicContact CE1-CB 3.96Å; F262-F264 HydrophobicContact CE1-CD2 4.33Å; F262-F264 HydrophobicContact CZ-CD2 4.43Å; F262-Y282 AromaticContact CE2-CD2 3.93Å; F262-Y282 HydrophobicContact CE2-CD2 3.93Å; F262-Y282 HydrophobicContact CE2-CG 4.15Å; F262-Y282 HydrophobicContact CZ-CG 4.34Å; F262-H284 HydrophobicContact CD2-CB 4.14Å
263W72.8Confident72.9Confident103 Ų10370.6 Ų70.639%0.3939%0.387SS..EExtended strand (participates in β ladder)trans-121.1107.4-177-132.2-123.1000108.5F249 Y282 T283F249-W263 HydrophobicContact CB-CZ3 4.47Å; F249-W263 HydrophobicContact CD1-CZ3 4.15Å; F249-W263 AromaticContact CD2-CE3 3.51Å; F249-W263 HydrophobicContact CD2-CE3 3.51Å; F249-W263 AromaticContact CD2-CZ3 3.32Å; F249-W263 HydrophobicContact CD2-CZ3 3.32Å; F249-W263 HydrophobicContact CE1-CZ3 4.19Å; F249-W263 AromaticContact CE2-CE3 3.79Å; F249-W263 HydrophobicContact CE2-CE3 3.79Å; F249-W263 AromaticContact CE2-CZ3 3.36Å; F249-W263 HydrophobicContact CE2-CZ3 3.36Å; F249-W263 HydrophobicContact CG-CE3 4.16Å; F249-W263 AromaticContact CG-CZ3 3.71Å; F249-W263 HydrophobicContact CG-CZ3 3.71Å; F249-W263 AromaticContact CZ-CZ3 3.81Å; F249-W263 HydrophobicContact CZ-CZ3 3.81Å; W263-Y282 CarbonylContact O-C 3.58Å; W263-Y282 WeakPolarHBondContact O-CA 3.11Å; W263-T283 WeakPolarHBondContact CB-OG1 3.3Å; W263-T283 PolarHBondContact N-O 2.83Å; W263-T283 PolarHBondContact O-N 3.39Å
264F69.4Low72.7Confident61 Ų6171 Ų7127%0.26839%0.392SS..EExtended strand (participates in β ladder)trans-85.1123.3177.2-172.4-107000110.1R245 L248 F262R245-F264 WeakPolarHBondContact CG-O 3.04Å; R245-F264 PolarHBondContact NH1-O 2.8Å; L248-F264 HydrophobicContact CD1-CB 4.26Å; L248-F264 HydrophobicContact CD1-CG 4.33Å; F262-F264 HydrophobicContact CE1-CB 3.96Å; F262-F264 HydrophobicContact CE1-CD2 4.33Å; F262-F264 HydrophobicContact CZ-CD2 4.43Å
265L69.9Low72.4Confident11 Ų1170.4 Ų70.46%0.05839%0.389CS..SBendtrans55.361.8-173.8-73.2154.1000113.7R245 N267 L268 F278 L281R245-L265 PolarHBondContact NH1-O 3.09Å; L265-N267 PolarHBondContact O-N 3.28Å; L265-L268 HydrophobicContact CB-CB 4.1Å; L265-L268 WeakPolarHBondContact O-CB 3.42Å; L265-L268 PolarHBondContact O-N 3.22Å; L265-F278 HydrophobicContact CD2-CB 4.08Å; L265-F278 HydrophobicContact CD2-CD1 3.77Å; L265-F278 HydrophobicContact CD2-CG 4.34Å; L265-L281 PolarHBondContact N-O 3.16Å
266P65.3Low72Confident23 Ų2368.5 Ų68.515%0.14938%0.38CS..THydrogen-bonded Turntrans-45.9-37.1-175.316.6-33.7000114.9R245 P280 T283R245-P266 PolarHBondContact NH2-O 3.43Å; P266-P280 VanDerWaalsContact CD-O 3.29Å; P266-P280 WeakPolarHBondContact CD-O 3.29Å; P266-P280 HydrophobicContact CG-CG 3.89Å; P266-T283 HydrophobicContact CG-CG2 3.91Å
267N70.9Confident72Confident49 Ų4967 Ų6726%0.26237%0.371SS..THydrogen-bonded Turntrans-91.22.5-173.3-68.4-11.9000114.9L265 T269 A270 V272 D276 S277 R279L265-N267 PolarHBondContact O-N 3.28Å; N267-T269 PolarHBondContact O-N 3.37Å; N267-A270 HydrophobicContact CB-CB 4.4Å; N267-A270 PolarHBondContact O-N 3.42Å; N267-A270 VanDerWaalsContact O-N 3.14Å; N267-V272 HydrophobicContact CB-CG2 3.93Å; N267-D276 WeakPolarHBondContact CB-O 3.37Å; N267-S277 CarbonylContact C-O 3.59Å; N267-S277 WeakPolarHBondContact O-CA 3.48Å; N267-R279 PolarHBondContact ND2-O 3.35Å
268L70.8Confident72Confident21 Ų2166.9 Ų66.911%0.1135%0.352CS..THydrogen-bonded Turntrans-59.7-33.1-176.3-168.766000113.5L241 L265 S277 F278L241-L268 HydrophobicContact CB-CD2 3.99Å; L265-L268 HydrophobicContact CB-CB 4.1Å; L265-L268 WeakPolarHBondContact O-CB 3.42Å; L265-L268 PolarHBondContact O-N 3.22Å; L268-S277 PolarHBondContact N-O 3.32Å; L268-F278 HydrophobicContact CD1-CD1 4.44Å; L268-F278 HydrophobicContact CD1-CE1 3.88Å; L268-F278 HydrophobicContact CD1-CZ 4.13Å
269T67.7Low72.2Confident106 Ų10674.1 Ų74.165%0.6537%0.372SS*.THydrogen-bonded Turntrans-113.312.5178.2640000112.5N267N267-T269 PolarHBondContact O-N 3.37Å
270A76.1Confident72.2Confident39 Ų3971 Ų7132%0.32237%0.37SS..SBendtrans-86.7154.7175.600000109.6N267 V272N267-A270 HydrophobicContact CB-CB 4.4Å; N267-A270 PolarHBondContact O-N 3.42Å; N267-A270 VanDerWaalsContact O-N 3.14Å; A270-V272 HydrophobicContact CB-CG1 4.37Å; A270-V272 HydrophobicContact CB-CG2 4.31Å; A270-V272 PolarHBondContact O-N 3.04Å
271D67.6Low72.1Confident180 Ų18074 Ų7496%0.96339%0.386SS*.SBendtrans-7260.9176.5-65-37.6000111.5
272V73.1Confident72.2Confident59 Ų5979 Ų7936%0.35841%0.405SS..SBendtrans-125.2154.2178-59.20000109.5N267 A270 D276 S277N267-V272 HydrophobicContact CB-CG2 3.93Å; A270-V272 HydrophobicContact CB-CG1 4.37Å; A270-V272 HydrophobicContact CB-CG2 4.31Å; A270-V272 PolarHBondContact O-N 3.04Å; V272-D276 HydrophobicContact CB-CB 3.93Å; V272-D276 HydrophobicContact CG2-CB 4Å; V272-S277 PolarHBondContact O-OG 3.23Å
273G74.6Confident72.1Confident46 Ų4679.9 Ų79.947%0.47441%0.413SS..  trans-60.2155.7-179.300000111.7I275 D276 S277G273-I275 PolarHBondContact O-N 3.03Å; G273-D276 CarbonylContact O-C 3.49Å; G273-D276 WeakPolarHBondContact O-CA 3.45Å; G273-D276 PolarHBondContact O-N 3.5Å; G273-S277 PolarHBondContact O-N 3.37Å; G273-S277 PolarHBondContact O-OG 3.18Å; G273-S277 VanDerWaalsContact O-OG 3.12Å
274F77.6Confident72Confident124 Ų12479.8 Ų79.854%0.54442%0.417SS..THydrogen-bonded Turntrans-44.6-41.9-175.3174.7-104.4000114.4F234 S277 F278F234-F274 AromaticContact CE2-CE2 3.97Å; F234-F274 HydrophobicContact CE2-CE2 3.97Å; F234-F274 HydrophobicContact CE2-CZ 4.21Å; F234-F274 HydrophobicContact CZ-CD2 4.36Å; F234-F274 AromaticContact CZ-CE2 3.54Å; F234-F274 HydrophobicContact CZ-CE2 3.54Å; F234-F274 HydrophobicContact CZ-CZ 4.14Å; F274-S277 WeakPolarHBondContact O-CB 3.33Å; F274-S277 PolarHBondContact O-N 3.35Å; F274-F278 AromaticContact CD2-CE2 3.85Å; F274-F278 HydrophobicContact CD2-CE2 3.85Å; F274-F278 HydrophobicContact CE1-CE2 4.26Å; F274-F278 AromaticContact CE2-CE2 3.43Å; F274-F278 HydrophobicContact CE2-CE2 3.43Å; F274-F278 VanDerWaalsContact CE2-CE2 3.43Å; F274-F278 AromaticContact CE2-CZ 3.96Å; F274-F278 HydrophobicContact CE2-CZ 3.96Å; F274-F278 HydrophobicContact CG-CE2 4.41Å; F274-F278 AromaticContact CZ-CE2 3.67Å; F274-F278 HydrophobicContact CZ-CE2 3.67Å; F274-F278 HydrophobicContact CZ-CZ 4.31Å; F274-F278 WeakPolarHBondContact O-CD2 3.34Å; F274-F278 WeakPolarHBondContact O-CE2 3.43Å
275I77.5Confident71.9Confident121 Ų12182.2 Ų82.262%0.62143%0.429SS*.THydrogen-bonded Turntrans-74.1-35.3-178.1-60.8168.7000111.7G273 S277 F278G273-I275 PolarHBondContact O-N 3.03Å; I275-S277 VanDerWaalsContact C-N 3.3Å; I275-F278 PolarHBondContact O-N 3.5Å
276D75.1Confident71.6Confident96 Ų9688.2 Ų88.251%0.51345%0.452SS..G310 helixtrans-77.1-20.7177.7-68.2-32.2000111.7N267 V272 G273 F278 R279N267-D276 WeakPolarHBondContact CB-O 3.37Å; V272-D276 HydrophobicContact CB-CB 3.93Å; V272-D276 HydrophobicContact CG2-CB 4Å; G273-D276 CarbonylContact O-C 3.49Å; G273-D276 WeakPolarHBondContact O-CA 3.45Å; G273-D276 PolarHBondContact O-N 3.5Å; D276-F278 PolarHBondContact O-N 3.05Å; D276-R279 PolarHBondContact O-N 2.93Å
277S78.1Confident71.3Confident13 Ų1392.3 Ų92.39%0.09147%0.467CS..G310 helixtrans-61.7-27.2171.7-51.90000112.5N267 L268 V272 G273 F274 I275N267-S277 CarbonylContact C-O 3.59Å; N267-S277 WeakPolarHBondContact O-CA 3.48Å; L268-S277 PolarHBondContact N-O 3.32Å; V272-S277 PolarHBondContact O-OG 3.23Å; G273-S277 PolarHBondContact O-N 3.37Å; G273-S277 PolarHBondContact O-OG 3.18Å; G273-S277 VanDerWaalsContact O-OG 3.12Å; F274-S277 WeakPolarHBondContact O-CB 3.33Å; F274-S277 PolarHBondContact O-N 3.35Å; I275-S277 VanDerWaalsContact C-N 3.3Å
278F73.8Confident70.3Confident63 Ų6391.4 Ų91.428%0.27647%0.47SS..G310 helixtrans-95.54.4-179.7-62.2-80.7000114.8L265 L268 F274 I275 D276 L281L265-F278 HydrophobicContact CD2-CB 4.08Å; L265-F278 HydrophobicContact CD2-CD1 3.77Å; L265-F278 HydrophobicContact CD2-CG 4.34Å; L268-F278 HydrophobicContact CD1-CD1 4.44Å; L268-F278 HydrophobicContact CD1-CE1 3.88Å; L268-F278 HydrophobicContact CD1-CZ 4.13Å; F274-F278 AromaticContact CD2-CE2 3.85Å; F274-F278 HydrophobicContact CD2-CE2 3.85Å; F274-F278 HydrophobicContact CE1-CE2 4.26Å; F274-F278 AromaticContact CE2-CE2 3.43Å; F274-F278 HydrophobicContact CE2-CE2 3.43Å; F274-F278 VanDerWaalsContact CE2-CE2 3.43Å; F274-F278 AromaticContact CE2-CZ 3.96Å; F274-F278 HydrophobicContact CE2-CZ 3.96Å; F274-F278 HydrophobicContact CG-CE2 4.41Å; F274-F278 AromaticContact CZ-CE2 3.67Å; F274-F278 HydrophobicContact CZ-CE2 3.67Å; F274-F278 HydrophobicContact CZ-CZ 4.31Å; F274-F278 WeakPolarHBondContact O-CD2 3.34Å; F274-F278 WeakPolarHBondContact O-CE2 3.43Å; I275-F278 PolarHBondContact O-N 3.5Å; D276-F278 PolarHBondContact O-N 3.05Å; F278-L281 WeakPolarHBondContact O-CD1 3.28Å
279R74.9Confident69.2Low176 Ų17695.5 Ų95.566%0.66450%0.498SS*.  trans-134.4134.6179.1-68.4-174.4179.5-178.70.8111.5N267 D276N267-R279 PolarHBondContact ND2-O 3.35Å; D276-R279 PolarHBondContact O-N 2.93Å
280P66.7Low68.1Low69 Ų69100.2 Ų100.245%0.44851%0.509SS..SBendcis-70.7154.2-729-33.3000112.3P266 Y282 T283P266-P280 VanDerWaalsContact CD-O 3.29Å; P266-P280 WeakPolarHBondContact CD-O 3.29Å; P266-P280 HydrophobicContact CG-CG 3.89Å; P280-Y282 VanDerWaalsContact C-N 3.32Å; P280-Y282 PolarHBondContact O-N 3.01Å; P280-T283 HydrophobicContact CG-CG2 4.08Å
281L65.7Low66.4Low105 Ų105102.7 Ų102.755%0.5553%0.529SS..SBendtrans-68.2-28.6-177.1-111.389.4000113.4L265 F278L265-L281 PolarHBondContact N-O 3.16Å; F278-L281 WeakPolarHBondContact O-CD1 3.28Å
282Y73.2Confident65.2Low151 Ų151101.3 Ų101.359%0.59252%0.522SS*.EExtended strand (participates in β ladder)trans-154150.6177.665.8-88.6000111F262 W263 P280F262-Y282 AromaticContact CE2-CD2 3.93Å; F262-Y282 HydrophobicContact CE2-CD2 3.93Å; F262-Y282 HydrophobicContact CE2-CG 4.15Å; F262-Y282 HydrophobicContact CZ-CG 4.34Å; W263-Y282 CarbonylContact O-C 3.58Å; W263-Y282 WeakPolarHBondContact O-CA 3.11Å; P280-Y282 VanDerWaalsContact C-N 3.32Å; P280-Y282 PolarHBondContact O-N 3.01Å
283T72.8Confident63.6Low62 Ų62106.9 Ų106.938%0.3855%0.549SS..EExtended strand (participates in β ladder)trans-129.9142.816749.90000109.4W263 P266 P280W263-T283 WeakPolarHBondContact CB-OG1 3.3Å; W263-T283 PolarHBondContact N-O 2.83Å; W263-T283 PolarHBondContact O-N 3.39Å; P266-T283 HydrophobicContact CG-CG2 3.91Å; P280-T283 HydrophobicContact CG-CG2 4.08Å
284H72.4Confident62Low101 Ų101114.1 Ų114.147%0.46857%0.567SS.*EExtended strand (participates in β ladder)trans-129.2114.7-178.9176-97.3000109.1H260 F262H260-H284 AromaticContact CE1-CE1 3.92Å; H260-H284 AromaticContact CE1-NE2 3.89Å; H260-H284 AromaticContact CG-NE2 3.7Å; H260-H284 AromaticContact ND1-CE1 3.19Å; H260-H284 PolarHBondContact ND1-CE1 2.91Å; H260-H284 AromaticContact ND1-NE2 2.85Å; H260-H284 PolarHBondContact ND1-NE2 2.98Å; F262-H284 HydrophobicContact CD2-CB 4.14Å
285E66.6Low59.9Low112 Ų112116.2 Ų116.252%0.52358%0.576SS.*EExtended strand (participates in β ladder)trans-110.6119.5177.6-168.4-170.5162.700109.5H261 K287H261-E285 HydrophobicContact CB-CB 4.36Å; H261-E285 PolarHBondContact N-O 2.67Å; H261-E285 PolarHBondContact O-N 3.35Å; E285-K287 WeakPolarHBondContact OE1-CE 3.35Å; E285-K287 IonicContact OE1-NZ 3.93Å
286Y63Low57.6Low137 Ų137118.6 Ų118.654%0.53759%0.59SS.*EExtended strand (participates in β ladder)trans-95.4117.4175.6179.2-118.9000110.2R259 H260R259-Y286 HydrophobicContact CB-CE2 4.09Å; R259-Y286 WeakPolarHBondContact O-CD2 3.26Å; H260-Y286 AromaticContact CD2-CD2 3.38Å; H260-Y286 WeakPolarHBondContact CD2-CD2 3.49Å; H260-Y286 AromaticContact CD2-CE2 3.52Å; H260-Y286 AromaticContact CE1-CD2 3.26Å; H260-Y286 WeakPolarHBondContact CE1-CD2 3.02Å; H260-Y286 AromaticContact CE1-CE2 3.62Å; H260-Y286 AromaticContact CG-CD2 3.76Å; H260-Y286 AromaticContact ND1-CD2 3.65Å; H260-Y286 AromaticContact NE2-CD2 3.1Å; H260-Y286 WeakPolarHBondContact NE2-CD2 3.01Å; H260-Y286 AromaticContact NE2-CE2 3.02Å; H260-Y286 WeakPolarHBondContact NE2-CE2 3.38Å
287K59.1Low55.6Low108 Ų108122 Ų12247%0.4760%0.603SS.*  trans-104.587172.7-68.2-172.8-174.1161.30109.3R259 H261 E285R259-K287 PolarHBondContact O-N 3.06Å; H261-K287 PolarHBondContact NE2-NZ 3.46Å; E285-K287 WeakPolarHBondContact OE1-CE 3.35Å; E285-K287 IonicContact OE1-NZ 3.93Å
288G50.5Low53.3Low30 Ų30130.6 Ų130.631%0.30964%0.639SS.*  trans-73.8162.8168.300000112.6K290G288-K290 PolarHBondContact O-N 2.92Å
289P47.2Very low51.1Low108 Ų108132.6 Ų132.670%0.70166%0.66SS**  trans-60.4123.7177.7-16.729.2000110.8A291P289-A291 PolarHBondContact O-N 3.32Å
290K45.3Very low48.9Very low205 Ų205132.5 Ų132.589%0.89167%0.668SS**  trans-75103.5166.6-69.7-172.9178.4-179.90107.9G288G288-K290 PolarHBondContact O-N 2.92Å
291A40Very low47Very low90 Ų90133.7 Ų133.774%0.74467%0.674SS**  trans-73.1136.1158.800000108.7P289 L293P289-A291 PolarHBondContact O-N 3.32Å; A291-L293 PolarHBondContact O-N 3.47Å
292D42.7Very low45.2Very low152 Ų152137.2 Ų137.281%0.81369%0.685SS**  trans-50.9122.1176.6-56.8-85.6000112.8
293L39.1Very low43Very low176 Ų176137.9 Ų137.992%0.92169%0.691SS**  trans-127.390153.2-78.6171.8000107.9A291A291-L293 PolarHBondContact O-N 3.47Å
294K40.3Very low41.1Very low197 Ų197144.3 Ų144.386%0.85772%0.717SS**  trans-72.6126.5158.7-83.3-177.1177.4173.20108.4
295K33.5Very low39.1Very low169 Ų169146.3 Ų146.374%0.73573%0.726SS**  trans70.699.1138.3-159.8174.9-173.3-178.90116.7
296D30Very low37.3Very low171 Ų171149.3 Ų149.391%0.91474%0.737SS**  -140.5137121.3-89.3-44.1000110
297E32.7Very low35.5Very low168 Ų168147.5 Ų147.579%0.78575%0.745SS**  trans-76.2153.5-174.8-69.3-175.883.600112.9
298K30.8Very low34Very low193 Ų193149.8 Ų149.884%0.83976%0.762SS**  107.7137129.8-150.6170.2-177.1178.70118.5
299S26.4Very low32.9Very low104 Ų104153 Ų15373%0.72778%0.78SS**  trans87.197.2166.975.70000115.1
300E29Very low32.1Very low174 Ų174156.2 Ų156.281%0.81379%0.785SS**  81.8112.684.7-83-138.213600113.5
301T27Very low31.2Very low95 Ų95154 Ų15458%0.58378%0.778SS**  78.9119122.5-53.80000119.4
302K28.6Very low30.7Very low179 Ų179158.4 Ų158.478%0.77878%0.781SS**  trans85.5126144.8-85.4171.1-171.6167.80120.8
303K27.1Very low29.9Very low165 Ų165156.5 Ų156.572%0.71778%0.779SS**  trans75.699.2134.6-78.2-177171.1-171.40117.8Q305K303-Q305 PolarHBondContact O-N 3.5Å
304Q32.9Very low29.4Very low197 Ų197155 Ų15592%0.92177%0.772SS**  -52.3122.2121.5-80.3173.2-37.900109.9
305Q29.8Very low28.9Very low142 Ų142151 Ų15166%0.66477%0.768SS**  trans-167.8128.1136.5-113.5-178.2-18.600110.9K303K303-Q305 PolarHBondContact O-N 3.5Å
306K27.8Very low28.7Very low176 Ų176151.1 Ų151.177%0.76577%0.772SS**  trans67.8110.6141.6-83.2-171.8174.8-169.50117.5
307S26.7Very low28.6Very low99 Ų99151.7 Ų151.769%0.69277%0.766SS**  84.212879.272.30000113.4
308D27.1Very low28.6Very low156 Ų156150.7 Ų150.783%0.83476%0.759SS**  trans93.4147.5147.3-118.4-43000121.2
309S27.6Very low28.4Very low97 Ų97147.8 Ų147.868%0.67875%0.749SS**  trans76.8106.2177.7-85.20000118.7
310E29.2Very low28.4Very low175 Ų175149.3 Ų149.382%0.81875%0.749SS**  93105.775.1-75.3-137.5150.700111.4
311E26.9Very low28.5Very low158 Ų158148.1 Ų148.174%0.73874%0.743SS**  167.4131.4107.2-104.2-157.2117.400111.8
312K28.7Very low28.6Very low184 Ų184151.8 Ų151.880%0.875%0.754SS**  trans25.4128.2142.7-69.7-176.2176.9167.40121.2
313S27.4Very low28.5Very low112 Ų112146.6 Ų146.678%0.78375%0.751SS**  179.9102108.5-164.60000106.9
314D28.2Very low28.6Very low145 Ų145147.8 Ų147.878%0.77576%0.756SS**  63.4105.592.4-160.440.9000113.8
315S30Very low28.4Very low111 Ų111144.7 Ų144.778%0.77675%0.751SS**  180121.9128.3178.70000109.9
316E28.9Very low28.3Very low173 Ų173141.1 Ų141.181%0.80875%0.751SS**  trans-44.3154.9167.9-56.6168.8102.900114.4
317K28.7Very low29.2Very low183 Ų183139.5 Ų139.580%0.79676%0.759SS**  162.7115.9102.8-173.7160.3-177.5-1750113.2
318K31Very low29.2Very low146 Ų146138.1 Ų138.164%0.63576%0.76SS**  trans58.1117.9136.7-75.4-175.8170.8-88.50119.7
319E27.3Very low29.3Very low132 Ų132138.5 Ų138.562%0.61776%0.763SS**  75.710982.8-82.7173.6-167.700110.7
320D27.4Very low29.4Very low137 Ų137142.1 Ų142.173%0.73377%0.768SS**  113.8151.3108.8-76.4-21.8000105.8
321E30.3Very low29.3Very low149 Ų149136.5 Ų136.570%0.69676%0.758SS**  cis-168.5167.46.4-136.4-160.7144.700106.3
322E29.1Very low29.5Very low171 Ų171134.3 Ų134.380%0.79976%0.755SS**  trans58.2138.7151.1-59.5-166.2139.200119.7
323G26.2Very low29.4Very low70 Ų70134.6 Ų134.672%0.72276%0.759SS**  cis133.8152.423.200000108.5
324K30.6Very low29.4Very low190 Ų190132.6 Ų132.683%0.82676%0.756SS**  trans95.4117.6153.3-123.7-172.3176.51750120.2
325V27.7Very low29.6Very low133 Ų133131.9 Ų131.981%0.80676%0.762SS**  trans53.2140.5134-64.90000119.3
326G28.3Very low29.5Very low66 Ų66130.2 Ų130.268%0.6876%0.763SS**  cis154.2-174.330.500000108.4
327P46Very low29.6Very low142 Ų142125.9 Ų125.992%0.92277%0.765SS**  trans-108.7175.7-133.240-35.1000115.9
328G26.6Very low29.9Very low70 Ų70126 Ų12672%0.72277%0.768SS**  trans162.1101163.800000111.1
329N28.4Very low30.1Very low165 Ų165131 Ų13188%0.88278%0.783SS**  83.2147.473.5-147.643.3000114.3
330H31.2Very low30.5Very low172 Ų172133 Ų13380%0.79679%0.792SS**  trans83.5125-179.7-113.3-60.9000116.3
331G26.9Very low30.9Very low58 Ų58132 Ų13260%0.59880%0.795SS**  cis136156.68.700000109.8
332T29.7Very low31Very low111 Ų111131.7 Ų131.768%0.68180%0.799SS**  trans75.4107.5168.724.20000117
333E28.4Very low31.3Very low191 Ų191129.9 Ų129.989%0.89380%0.799SS**  62.7133.183.3-65.1-176.6152.800112.1
334G27.6Very low31.7Very low70 Ų70132.9 Ų132.972%0.72280%0.799SS**  cis170.5-173.58.900000108.6
335S31.7Very low32Very low129 Ų129129.2 Ų129.290%0.90280%0.797SS**  trans73.6124.1167.3-1570000116.1
336G27.8Very low32.5Very low77 Ų77130 Ų13079%0.79480%0.797SS**  cis110.2116.136.500000107.5
337G31.1Very low32.7Very low81 Ų81138.7 Ų138.784%0.83581%0.809SS**  trans173.482-178.100000113.9
338E34.6Very low32.3Very low186 Ų186142.6 Ų142.687%0.86981%0.806SS**  trans-62149.9166.1-56.3167.8130.600111.2
339R34.8Very low32.8Very low250 Ų250147.4 Ų147.494%0.94381%0.809SS**  trans-170.5118140.4-102.6157.4-163.2-131.24.2112.1
340H37.2Very low32.9Very low176 Ų176147.7 Ų147.782%0.81581%0.811SS**  trans-62.6152.6161.9-68.8-175.4000112
341S35.3Very low33.1Very low114 Ų114146.3 Ų146.380%0.79781%0.809SS**  trans-158112.6134.457.30000110.1
342D32Very low33.1Very low143 Ų143155 Ų15577%0.76582%0.824SS**  trans-58.2142.9160.4-56.4-75.4000110.4
343T35.3Very low33.4Very low133 Ų133154 Ų15482%0.81682%0.822SS**  trans-148.7105.9151.7-66.70000109.3
344D34.9Very low33.7Very low133 Ų133154.3 Ų154.371%0.71182%0.823SS**  trans-63.4140.2165.3-160.1-28.5000110.8
345S36.9Very low33.9Very low113 Ų113159.7 Ų159.779%0.7983%0.829SS**  trans-162.885.7161.2-79.40000109.8
346D36.9Very low34Very low149 Ų149159 Ų15980%0.79783%0.825SS**  trans-47.3129.9148.7-92.4-44.2000111.7
347R34.2Very low34.4Very low249 Ų249161 Ų16194%0.9483%0.826SS**  trans-151.5122151.3-129.6174.7-178.3145.50.4111.6
348R36.9Very low34.4Very low225 Ų225160.8 Ų160.885%0.84982%0.824SS**  trans-72.4150.7-180-69.6-176.4175.4-177.7-2.7113.2
349E37.2Very low34.9Very low171 Ų171160.5 Ų160.580%0.79983%0.828SS**  trans40.2119.7143-62.1178.9166.200119.6
350D30.2Very low34.9Very low170 Ų170151.5 Ų151.591%0.90981%0.814SS**  -155.8133.1125.1-112.7-41.5000112.1
351D35Very low35.1Very low144 Ų144150.8 Ų150.877%0.7782%0.816SS**  trans-75.4123.9179.9-166.9-70.6000109.8
352R28.1Very low35.1Very low239 Ų239151.6 Ų151.690%0.90281%0.811SS**  trans-153.896.5157.1-138.7173.4-179.1-170.90.5112.8
353S36.1Very low35.2Very low91 Ų91154.3 Ų154.364%0.63682%0.816SS**  trans-28.5123.2152.745.60000115.5
354Q34.4Very low35.6Very low197 Ų197155.6 Ų155.692%0.92181%0.813SS**  trans-139.7109.2146-77.4-163.7-29.600110
355H32.3Very low36Very low183 Ų183157.6 Ų157.685%0.84782%0.82SS**  trans-77.5157.2169.5-88.8-111.8000111.8
356S33Very low37Very low116 Ų116157.9 Ų157.981%0.81181%0.812SS**  trans88.7115.4157-153.10000116.1
357S36.2Very low38.1Very low118 Ų118154.1 Ų154.183%0.82579%0.794SS**  -15599.359.332.20000111.5
358G31.5Very low39.1Very low76 Ų76150 Ų15078%0.78478%0.783SS**  trans-106.4119.3170.400000109.9G360G358-G360 PolarHBondContact O-N 3.47Å
359N44.9Very low39.8Very low180 Ų180145.8 Ų145.896%0.96377%0.773SS**  trans-65.696.1169.2-124.580.6000108.7
360G34.4Very low40.6Very low62 Ų62143.4 Ų143.464%0.63976%0.762SS**  trans-140.9113.4175.800000109.3G358 D362G358-G360 PolarHBondContact O-N 3.47Å; G360-D362 PolarHBondContact O-N 2.89Å
361N41.8Very low41.5Very low160 Ų160141 Ų14186%0.85675%0.748SS**  trans-59.6116.5166.5-77.143.2000108.2
362D35Very low42.3Very low131 Ų131139.4 Ų139.470%0.70174%0.736SS**  trans-64.9130.6172.856.8-35.6000110.6G360G360-D362 PolarHBondContact O-N 2.89Å
363F34.2Very low43.1Very low200 Ų200136 Ų13688%0.87773%0.731SS**  trans-97.4103.2169.4-142.2-91.2000105.4M365F363-M365 PolarHBondContact O-N 2.88Å
364E44.5Very low43.4Very low160 Ų160140 Ų14075%0.74874%0.739SS**  trans-62.6118.5171.9-76179.6153.800109I366E364-I366 PolarHBondContact O-N 3.38Å
365M43Very low43.8Very low175 Ų175135.5 Ų135.586%0.86273%0.726SS**  trans-79.8101.2168.4-82.1-160.9-6800108.4F363 T367F363-M365 PolarHBondContact O-N 2.88Å; M365-T367 PolarHBondContact O-N 2.98Å
366I56.9Low44Very low120 Ų120133.5 Ų133.562%0.61572%0.721SS**  trans-67.5120.7170.2-60.9168.6000108E364 E370E364-I366 PolarHBondContact O-N 3.38Å; I366-E370 HydrophobicContact CG2-CB 3.94Å
367T60.8Low44.4Very low69 Ų69131.3 Ų131.342%0.42372%0.717SS.*  trans-77.3153.3175.849.20000110.6M365 E369 E370M365-T367 PolarHBondContact O-N 2.98Å; T367-E369 PolarHBondContact O-N 3.4Å; T367-E369 WeakPolarHBondContact OG1-CG 3.45Å; T367-E370 PolarHBondContact O-N 2.89Å
368K54.4Low44.4Very low163 Ų163133 Ų13371%0.70972%0.716SS**Hα-helixtrans-56.8-25.6-174.5-170.3-178173-164.60113.3L371K368-L371 PolarHBondContact O-N 3.13Å
369E52.6Low44.4Very low137 Ų137135.7 Ų135.764%0.6472%0.722SS**Hα-helixtrans-75.1-28.2178.454.1-154.5141.300114.3T367 Q373T367-E369 PolarHBondContact O-N 3.4Å; T367-E369 WeakPolarHBondContact OG1-CG 3.45Å; E369-Q373 PolarHBondContact O-N 3.13Å
370E53.8Low43.9Very low120 Ų120136.1 Ų136.156%0.56172%0.718SS**Hα-helixtrans-76.8-23.8171.7-83.7-168.8126.400112.8I366 T367 E372I366-E370 HydrophobicContact CG2-CB 3.94Å; T367-E370 PolarHBondContact O-N 2.89Å; E370-E372 VanDerWaalsContact C-N 3.33Å
371L49.5Very low44.2Very low119 Ų119142.1 Ų142.162%0.62373%0.729SS**Hα-helixtrans-74.8-25.4176.7-168.665.3000112.4K368K368-L371 PolarHBondContact O-N 3.13Å
372E50.1Low43.7Very low111 Ų111143.5 Ų143.552%0.51973%0.731SS.*Hα-helixtrans-87.2-27.6-179.7-70.7174.5-178.600112E370 Q374 T375E370-E372 VanDerWaalsContact C-N 3.33Å; E372-Q374 VanDerWaalsContact C-N 3.3Å; E372-Q374 PolarHBondContact O-N 3.19Å; E372-T375 PolarHBondContact O-OG1 3.47Å; E372-T375 VanDerWaalsContact O-OG1 3.09Å
373Q45.7Very low44Very low168 Ų168146.5 Ų146.579%0.78574%0.74SS**Hα-helixtrans-72.5-17.7175-82.7-179.813.700114.6E369E369-Q373 PolarHBondContact O-N 3.13Å
374Q41.7Very low43.9Very low175 Ų175146 Ų14682%0.81874%0.741SS**THydrogen-bonded Turntrans-86.6-5.7179.5-114.4173.929.900114.2E372E372-Q374 VanDerWaalsContact C-N 3.3Å; E372-Q374 PolarHBondContact O-N 3.19Å
375T42.7Very low43.7Very low103 Ų103147.6 Ų147.663%0.63275%0.748SS**SBendtrans-100.5-11.2-177.254.60000114.8E372E372-T375 PolarHBondContact O-OG1 3.47Å; E372-T375 VanDerWaalsContact O-OG1 3.09Å
376D37.7Very low43.2Very low140 Ų140148.5 Ų148.575%0.74975%0.751SS**SBendtrans-114.517.8-163.8-63.6-10.9000114.9
377G41Very low42.3Very low70 Ų70149.5 Ų149.572%0.72276%0.757SS**SBendtrans-134.568.5-177.300000114.2
378D36.8Very low40.9Very low153 Ų153154.1 Ų154.182%0.81878%0.779SS**  trans173.296133.7-117.2-28.7000109
379C31.5Very low39.9Very low133 Ų133149.6 Ų149.690%0.89978%0.779SS**  trans-139.583.7162.2-80.70000105.8
380E34.2Very low39.1Very low189 Ų189152 Ų15288%0.88379%0.79SS**  trans-102124.7156-68.8-157.8162.300108.3
381E40.3Very low38.3Very low188 Ų188152.9 Ų152.988%0.87980%0.804SS**  trans-67.3129.1174.4-62.5171.3154.600109.4
382E31.8Very low37.9Very low190 Ų190152.8 Ų152.889%0.88881%0.81SS**  trans-135.3110.2147.8-74-162.2161.900108.3
383E40.5Very low37.1Very low193 Ų193157.5 Ų157.590%0.90283%0.829SS**  trans-72121.2164.1-64-171.6155.500108.4
384E32.4Very low36.6Very low190 Ų190154.6 Ų154.689%0.88883%0.828SS**  trans-134.9129.6152.8-74.8-156.8162.600110
385E40.7Very low36.3Very low193 Ų193151.2 Ų151.290%0.90282%0.823SS**  trans-65.7139.6179.5-58.3-162.715800112
386E33.1Very low35.8Very low195 Ų195154.3 Ų154.391%0.91183%0.83SS**  trans-147107.9145.1-123.6177.7176.500111.9
387N36.4Very low35.8Very low140 Ų140154.7 Ų154.775%0.74983%0.827SS**  trans-31.4122.7158.1173.150000115.1
388D32.6Very low35.9Very low167 Ų167160 Ų16089%0.89383%0.83SS**  trans-141.1106.5152-94.8-40000110.7
389G33.2Very low36.1Very low68 Ų68162 Ų16270%0.70186%0.857SS**  trans-72.5146.1179.200000113.6
390E35.6Very low36.4Very low187 Ų187163.5 Ų163.587%0.87486%0.855SS**  trans-57.5155.2179.2-64.8169.595.800115.5
391T36.2Very low36.5Very low138 Ų138162.1 Ų162.185%0.84785%0.853SS**  -167.1159.3120.136.50000107.8
392P42.6Very low36.3Very low117 Ų117160.7 Ų160.776%0.7685%0.852SS**  cis-140.515822.637.7-18000116.2
393K31.4Very low36.5Very low210 Ų210158.9 Ų158.991%0.91385%0.849SS**  trans-163.2144135.3-115.4168.9-175.31750114.1
394S36.6Very low36.3Very low108 Ų108156.8 Ų156.876%0.75585%0.846SS**  trans-62.7148.9-174.658.50000116.2
395S34Very low36.5Very low103 Ų103154.6 Ų154.672%0.7284%0.843SS**  trans-176.4135135.646.30000112.5
396H33.6Very low36.2Very low169 Ų169151.9 Ų151.978%0.78284%0.839SS**  trans66.5144152.7-84.7-75.8000117.7
397E37.5Very low36.5Very low147 Ų147148.5 Ų148.569%0.68783%0.834SS**  cis-171.21534.9-178.6163115.700108.4
398K43.5Very low36.5Very low181 Ų181149.3 Ų149.379%0.78784%0.841SS**  trans12.4126.9161.6-70.3170.3168.91720120.8
399S40.8Very low36.8Very low196 Ų196147.6 Ų147.6100%1.37184%0.836SS**  -169.9088.6-77.10000111

Retrieved 399 of 399 residues in 1202.9 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).