A0A096LX28_POEFO Loading...

peptidylprolyl isomerase

AlphaFold DB , UniProt , Accession A0A096LX28, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 455 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
1M31.9Very low50.9Low246 Ų246118.8 Ų118.8100%1.21264%0.636SS**  0101.60-68.4-165.7-153.700107.6
2T30.9Very low52.9Low141 Ų141123.8 Ų123.887%0.86565%0.647SS**  trans-117.1111.2168.136.50000105.4
3T36Very low54.8Low129 Ų129118.5 Ų118.579%0.79163%0.627SS**  trans-59129-176.718.50000111.1Q5T3-Q5 PolarHBondContact O-N 2.83Å
4D43.6Very low56.3Low101 Ų101110.3 Ų110.354%0.5458%0.584SS.*  trans-52.5100.8170.1-90.3-22.3000110.3F6 K60D4-F6 PolarHBondContact O-N 3.44Å; D4-K60 IonicContact OD2-NZ 3.43Å; D4-K60 PolarHBondContact OD2-NZ 3.29Å; D4-K60 VanDerWaalsContact OD2-NZ 3.15Å
5Q43.8Very low57.7Low165 Ų165104.4 Ų104.477%0.77155%0.554SS**  trans-97.265.5166.6-74.9-173.4-5.900109.8T3T3-Q5 PolarHBondContact O-N 2.83Å
6F50.3Low59Low76 Ų76101.7 Ų101.733%0.33355%0.551SS.*  trans-110.888.8152.2-73.2-95.4000105.8D4 M9 V17 F18D4-F6 PolarHBondContact O-N 3.44Å; F6-M9 HydrophobicContact CD1-CE 3.87Å; F6-V17 HydrophobicContact CE1-CG1 3.66Å; F6-V17 HydrophobicContact CZ-CG1 4.24Å; F6-F18 HydrophobicContact CD1-CE2 4.02Å; F6-F18 HydrophobicContact CE1-CD2 4.2Å; F6-F18 AromaticContact CE1-CE2 3.59Å; F6-F18 HydrophobicContact CE1-CE2 3.59Å; F6-F18 HydrophobicContact CE1-CZ 4.22Å; F6-F18 HydrophobicContact CZ-CE2 4.36Å
7L48.7Very low60.4Low132 Ų13298.3 Ų98.369%0.69153%0.534SS*.  trans-53.1158.4167.5-73165.6000109.3M9L7-M9 WeakPolarHBondContact O-CG 3.36Å; L7-M9 PolarHBondContact O-N 2.95Å
8P57.2Low61.9Low98 Ų9893 Ų9364%0.63651%0.505SS*.SBendtrans-51.6116.7170.3-21.131.1000109.1
9M68.8Low62.9Low49 Ų4990.7 Ų90.724%0.24150%0.501CS..  trans-117.4149.1-179.6-59.6-159.5-157.300110.2F6 L7 A14 V17 L62F6-M9 HydrophobicContact CD1-CE 3.87Å; L7-M9 WeakPolarHBondContact O-CG 3.36Å; L7-M9 PolarHBondContact O-N 2.95Å; M9-A14 HydrophobicContact CB-CB 4.19Å; M9-V17 HydrophobicContact CE-CG2 4.34Å; M9-V17 HydrophobicContact SD-CG2 4.05Å; M9-L62 PolarHBondContact N-O 2.84Å
10D75.7Confident64Low98 Ų9890.2 Ų90.252%0.52451%0.509SS..  trans-71.9164.7162.269.119.8000110.8K12 S13 A14D10-K12 VanDerWaalsContact C-N 3.29Å; D10-K12 PolarHBondContact O-N 2.92Å; D10-S13 PolarHBondContact O-N 3.14Å; D10-S13 WeakPolarHBondContact OD1-CB 3.49Å; D10-S13 PolarHBondContact OD1-N 2.99Å; D10-S13 PolarHBondContact OD1-OG 3.44Å; D10-A14 WeakPolarHBondContact O-CB 3.13Å; D10-A14 PolarHBondContact O-N 2.86Å
11D73.6Confident65.2Low72 Ų7291.3 Ų91.339%0.38551%0.513SS..Hα-helixtrans-62.7-35-173-165.355.5000113T15 L62 S127D11-T15 VanDerWaalsContact O-CB 3.28Å; D11-T15 WeakPolarHBondContact O-CB 3.39Å; D11-T15 PolarHBondContact O-N 2.85Å; D11-T15 PolarHBondContact O-OG1 2.92Å; D11-L62 HydrophobicContact CB-CD1 4.13Å; D11-L62 WeakPolarHBondContact OD1-CD1 3.49Å; D11-S127 WeakPolarHBondContact OD1-CB 3.34Å; D11-S127 PolarHBondContact OD1-OG 3.41Å
12K74.1Confident67.9Low179 Ų17980.5 Ų80.578%0.77847%0.465SS*.Hα-helixtrans-68.2-45.4178.2-71.3-174.3179.5179.90111.5D10 T15 A16D10-K12 VanDerWaalsContact C-N 3.29Å; D10-K12 PolarHBondContact O-N 2.92Å; K12-T15 PolarHBondContact O-N 2.83Å; K12-A16 WeakPolarHBondContact O-CB 3.12Å; K12-A16 PolarHBondContact O-N 2.81Å
13S78.1Confident70.9Confident55 Ų5578.6 Ų78.639%0.38545%0.448SS..Hα-helixtrans-67.9-43.8179.6-55.70000111.1D10 T15 A16 V17D10-S13 PolarHBondContact O-N 3.14Å; D10-S13 WeakPolarHBondContact OD1-CB 3.49Å; D10-S13 PolarHBondContact OD1-N 2.99Å; D10-S13 PolarHBondContact OD1-OG 3.44Å; S13-T15 PolarHBondContact O-N 3.44Å; S13-A16 PolarHBondContact O-N 2.87Å; S13-V17 WeakPolarHBondContact O-CG2 3.18Å; S13-V17 PolarHBondContact O-N 2.99Å
14A76.2Confident73.8Confident3 Ų373.5 Ų73.53%0.02542%0.416CS..Hα-helixtrans-59.5-46.8174.900000111.3M9 D10 A16 V17 F18 L62M9-A14 HydrophobicContact CB-CB 4.19Å; D10-A14 WeakPolarHBondContact O-CB 3.13Å; D10-A14 PolarHBondContact O-N 2.86Å; A14-A16 VanDerWaalsContact C-N 3.34Å; A14-A16 PolarHBondContact O-N 2.97Å; A14-V17 PolarHBondContact O-N 3.41Å; A14-F18 VanDerWaalsContact O-CD2 3.3Å; A14-F18 WeakPolarHBondContact O-CD2 3.34Å; A14-F18 PolarHBondContact O-N 3.27Å; A14-L62 HydrophobicContact CB-CD1 4.03Å; A14-L62 HydrophobicContact CB-CD2 3.7Å; A14-L62 HydrophobicContact CB-CG 4.49Å
15T76.4Confident76.3Confident22 Ų2269.8 Ų69.814%0.13540%0.397CS..Hα-helixtrans-59.9-43.5177.3-59.60000111.6D11 K12 S13 F18 A19 F34D11-T15 VanDerWaalsContact O-CB 3.28Å; D11-T15 WeakPolarHBondContact O-CB 3.39Å; D11-T15 PolarHBondContact O-N 2.85Å; D11-T15 PolarHBondContact O-OG1 2.92Å; K12-T15 PolarHBondContact O-N 2.83Å; S13-T15 PolarHBondContact O-N 3.44Å; T15-F18 PolarHBondContact O-N 2.79Å; T15-A19 WeakPolarHBondContact O-CB 3.3Å; T15-A19 PolarHBondContact O-N 2.99Å; T15-F34 HydrophobicContact CG2-CE2 4.1Å
16A78.8Confident78.8Confident61 Ų6162 Ų6250%0.50436%0.361SS..Hα-helixtrans-62.9-42.6177.900000112.5K12 S13 A14 A19 A20K12-A16 WeakPolarHBondContact O-CB 3.12Å; K12-A16 PolarHBondContact O-N 2.81Å; S13-A16 PolarHBondContact O-N 2.87Å; A14-A16 VanDerWaalsContact C-N 3.34Å; A14-A16 PolarHBondContact O-N 2.97Å; A16-A19 PolarHBondContact O-N 3.28Å; A16-A20 WeakPolarHBondContact O-CB 3.42Å; A16-A20 PolarHBondContact O-N 3.46Å
17V83.9Confident80.8Confident44 Ų4463.7 Ų63.727%0.26738%0.379SS..Hα-helixtrans-65.3-43.4178.2173.40000111.6F6 M9 S13 A14 A20 N21F6-V17 HydrophobicContact CE1-CG1 3.66Å; F6-V17 HydrophobicContact CZ-CG1 4.24Å; M9-V17 HydrophobicContact CE-CG2 4.34Å; M9-V17 HydrophobicContact SD-CG2 4.05Å; S13-V17 WeakPolarHBondContact O-CG2 3.18Å; S13-V17 PolarHBondContact O-N 2.99Å; A14-V17 PolarHBondContact O-N 3.41Å; V17-A20 PolarHBondContact O-N 2.97Å; V17-N21 WeakPolarHBondContact O-CB 3.46Å; V17-N21 PolarHBondContact O-N 3.45Å; V17-N21 VanDerWaalsContact O-N 3.14Å; V17-N21 PolarHBondContact O-ND2 2.97Å
18F87.3Confident82.9Confident3 Ų366.4 Ų66.41%0.01338%0.381CS..Hα-helixtrans-71.8-32.7177.6-86.4-100.7000112.5F6 A14 T15 G22 F34 V36 T104 L106 V129F6-F18 HydrophobicContact CD1-CE2 4.02Å; F6-F18 HydrophobicContact CE1-CD2 4.2Å; F6-F18 AromaticContact CE1-CE2 3.59Å; F6-F18 HydrophobicContact CE1-CE2 3.59Å; F6-F18 HydrophobicContact CE1-CZ 4.22Å; F6-F18 HydrophobicContact CZ-CE2 4.36Å; A14-F18 VanDerWaalsContact O-CD2 3.3Å; A14-F18 WeakPolarHBondContact O-CD2 3.34Å; A14-F18 PolarHBondContact O-N 3.27Å; T15-F18 PolarHBondContact O-N 2.79Å; F18-G22 WeakPolarHBondContact O-CA 3.46Å; F18-G22 PolarHBondContact O-N 2.63Å; F18-F34 HydrophobicContact CB-CB 3.84Å; F18-F34 HydrophobicContact CB-CD2 4.44Å; F18-F34 HydrophobicContact CB-CG 4.16Å; F18-F34 HydrophobicContact CD1-CB 4.09Å; F18-F34 HydrophobicContact CG-CB 4.42Å; F18-V36 HydrophobicContact CD1-CG2 3.56Å; F18-V36 HydrophobicContact CE1-CB 4.48Å; F18-V36 HydrophobicContact CE1-CG2 3.9Å; F18-V36 HydrophobicContact CG-CG2 4.29Å; F18-T104 HydrophobicContact CE1-CG2 3.8Å; F18-T104 HydrophobicContact CZ-CG2 3.63Å; F18-L106 HydrophobicContact CB-CB 4.32Å; F18-L106 HydrophobicContact CB-CD2 3.76Å; F18-L106 HydrophobicContact CD1-CB 3.51Å; F18-L106 HydrophobicContact CD1-CD2 4.46Å; F18-L106 HydrophobicContact CD2-CB 4.1Å; F18-L106 HydrophobicContact CD2-CD2 3.92Å; F18-L106 HydrophobicContact CE1-CB 3.71Å; F18-L106 HydrophobicContact CE2-CB 4.26Å; F18-L106 HydrophobicContact CG-CB 3.72Å; F18-L106 HydrophobicContact CG-CD2 3.8Å; F18-L106 HydrophobicContact CG-CG 4.38Å; F18-L106 HydrophobicContact CZ-CB 4.08Å; F18-V129 HydrophobicContact CZ-CG1 4.29Å; F18-V129 HydrophobicContact CZ-CG2 4.44Å
19A80.3Confident84.7Confident50 Ų5068.2 Ų68.241%0.41338%0.378SS..Hα-helixtrans-68.7-35.2173.200000112.1T15 A16 F34T15-A19 WeakPolarHBondContact O-CB 3.3Å; T15-A19 PolarHBondContact O-N 2.99Å; A16-A19 PolarHBondContact O-N 3.28Å; A19-F34 HydrophobicContact CB-CE1 3.98Å; A19-F34 HydrophobicContact CB-CZ 3.92Å
20A85.8Confident85.9Confident80 Ų8068.7 Ų68.766%0.66138%0.382SS*.Hα-helixtrans-73.4-34.3178.300000113.3A16 V17A16-A20 WeakPolarHBondContact O-CB 3.42Å; A16-A20 PolarHBondContact O-N 3.46Å; V17-A20 PolarHBondContact O-N 2.97Å
21N87.9Confident86.8Confident113 Ų11368.7 Ų68.760%0.60438%0.379SS*.Hα-helixtrans-113.1-3.5-171.4-61-62000114.3V17V17-N21 WeakPolarHBondContact O-CB 3.46Å; V17-N21 PolarHBondContact O-N 3.45Å; V17-N21 VanDerWaalsContact O-N 3.14Å; V17-N21 PolarHBondContact O-ND2 2.97Å
22G89.1Confident87.8Confident19 Ų1965.4 Ų65.420%0.19636%0.361CS..SBendtrans-130.4178.6-171.200000112.7F18 K35F18-G22 WeakPolarHBondContact O-CA 3.46Å; F18-G22 PolarHBondContact O-N 2.63Å; G22-K35 CarbonylContact C-O 3.5Å; G22-K35 WeakPolarHBondContact CA-O 3.48Å
23I94.5Very high88.9Confident101 Ų10156.9 Ų56.952%0.51832%0.324SS..EExtended strand (participates in β ladder)trans-117.9136.5179.555.2170.8000109.8V25 F34 K35I23-V25 HydrophobicContact CD1-CG1 4.02Å; I23-V25 HydrophobicContact CG1-CG1 3.96Å; I23-V25 PolarHBondContact O-N 3.31Å; I23-F34 CarbonylContact O-C 3.59Å; I23-F34 WeakPolarHBondContact O-CA 3.29Å; I23-K35 HydrophobicContact CG1-CB 4.15Å; I23-K35 PolarHBondContact N-O 3.27Å; I23-K35 PolarHBondContact O-N 2.82Å
24D96Very high89.8Confident23 Ų2354.8 Ų54.812%0.12331%0.309CS..EExtended strand (participates in β ladder)trans-72.6112.1168-178.70.6000108.9T26 K29 D30 Q31 F34D24-T26 VanDerWaalsContact CG-OG1 3.28Å; D24-T26 VanDerWaalsContact OD1-CB 3.31Å; D24-T26 WeakPolarHBondContact OD1-CB 3.3Å; D24-T26 WeakPolarHBondContact OD1-CG2 3.09Å; D24-T26 PolarHBondContact OD1-N 3.01Å; D24-T26 PolarHBondContact OD1-OG1 2.78Å; D24-T26 PolarHBondContact OD2-OG1 3.42Å; D24-K29 HydrophobicContact CB-CD 4.5Å; D24-K29 PolarHBondContact O-NZ 3.37Å; D24-K29 WeakPolarHBondContact OD2-CA 3.15Å; D24-D30 PolarHBondContact OD2-N 3.45Å; D24-Q31 VanDerWaalsContact OD2-CA 3.27Å; D24-Q31 WeakPolarHBondContact OD2-CA 3.32Å; D24-Q31 PolarHBondContact OD2-N 2.63Å; D24-F34 HydrophobicContact CB-CD1 4.23Å; D24-F34 HydrophobicContact CB-CE1 3.96Å
25V96.1Very high90.8Very high22 Ų2255.1 Ų55.113%0.13331%0.309CS..  trans-92.7-1.5-178.2-66.80000112.7I23 V33 K35 I92I23-V25 HydrophobicContact CD1-CG1 4.02Å; I23-V25 HydrophobicContact CG1-CG1 3.96Å; I23-V25 PolarHBondContact O-N 3.31Å; V25-V33 HydrophobicContact CG2-CB 3.89Å; V25-V33 HydrophobicContact CG2-CG1 3.61Å; V25-V33 WeakPolarHBondContact CG2-O 3.41Å; V25-V33 PolarHBondContact N-O 2.92Å; V25-K35 HydrophobicContact CG1-CB 3.74Å; V25-K35 HydrophobicContact CG1-CD 4.49Å; V25-K35 HydrophobicContact CG2-CB 4.44Å; V25-I92 HydrophobicContact CB-CG2 4.18Å; V25-I92 HydrophobicContact CG2-CG2 3.86Å; V25-I92 WeakPolarHBondContact O-CG2 3.43Å
26T95.9Very high91.7Very high1 Ų154.6 Ų54.61%0.00631%0.306CS..  trans-66.1140.2178.163.60000111.3D24 R28 K29 D30 V33 Y111D24-T26 VanDerWaalsContact CG-OG1 3.28Å; D24-T26 VanDerWaalsContact OD1-CB 3.31Å; D24-T26 WeakPolarHBondContact OD1-CB 3.3Å; D24-T26 WeakPolarHBondContact OD1-CG2 3.09Å; D24-T26 PolarHBondContact OD1-N 3.01Å; D24-T26 PolarHBondContact OD1-OG1 2.78Å; D24-T26 PolarHBondContact OD2-OG1 3.42Å; T26-R28 PolarHBondContact O-N 2.67Å; T26-K29 PolarHBondContact O-N 2.99Å; T26-K29 VanDerWaalsContact OG1-CA 3.32Å; T26-K29 WeakPolarHBondContact OG1-CA 3.15Å; T26-K29 PolarHBondContact OG1-N 2.98Å; T26-D30 WeakPolarHBondContact CB-OD1 3.45Å; T26-D30 WeakPolarHBondContact CG2-OD1 3.45Å; T26-D30 PolarHBondContact OG1-N 3.18Å; T26-D30 VanDerWaalsContact OG1-N 3.08Å; T26-D30 PolarHBondContact OG1-OD1 3.02Å; T26-V33 HydrophobicContact CG2-CB 3.85Å; T26-V33 HydrophobicContact CG2-CG2 3.87Å; T26-Y111 HydrophobicContact CG2-CE1 4.27Å
27P92.1Very high92.6Very high112 Ų11254 Ų5473%0.72730%0.296SS*.THydrogen-bonded Turntrans-60.1-34.4176.5-26.735.1000113.3
28R93.7Very high93.1Very high190 Ų19057.5 Ų57.572%0.71731%0.305SS*.THydrogen-bonded Turntrans-86.9-3.2-178.8-63.8-172.6-60.8-1621.2114.2T26 D30 Y111T26-R28 PolarHBondContact O-N 2.67Å; R28-D30 HydrophobicContact CB-CB 4.41Å; R28-D30 IonicContact CZ-OD2 2.65Å; R28-D30 IonicContact NE-OD2 2.88Å; R28-D30 PolarHBondContact NE-OD2 3.4Å; R28-D30 IonicContact NH2-OD2 2.88Å; R28-D30 PolarHBondContact NH2-OD2 3.08Å; R28-D30 PolarHBondContact O-N 3.23Å; R28-Y111 PolarHBondContact NH2-OH 3.49Å
29K94.1Very high93.5Very high136 Ų13663.3 Ų63.359%0.59133%0.326SS*.  trans52.540.8-173.4-56.4-58.8-174.9-168.70113D24 T26 Q31D24-K29 HydrophobicContact CB-CD 4.5Å; D24-K29 PolarHBondContact O-NZ 3.37Å; D24-K29 WeakPolarHBondContact OD2-CA 3.15Å; T26-K29 PolarHBondContact O-N 2.99Å; T26-K29 VanDerWaalsContact OG1-CA 3.32Å; T26-K29 WeakPolarHBondContact OG1-CA 3.15Å; T26-K29 PolarHBondContact OG1-N 2.98Å; K29-Q31 VanDerWaalsContact C-N 3.3Å
30D94.7Very high94.3Very high58 Ų5867.4 Ų67.431%0.3134%0.337SS..  trans-93.112.2-177.562.512.4000113D24 T26 R28 G32 Y111D24-D30 PolarHBondContact OD2-N 3.45Å; T26-D30 WeakPolarHBondContact CB-OD1 3.45Å; T26-D30 WeakPolarHBondContact CG2-OD1 3.45Å; T26-D30 PolarHBondContact OG1-N 3.18Å; T26-D30 VanDerWaalsContact OG1-N 3.08Å; T26-D30 PolarHBondContact OG1-OD1 3.02Å; R28-D30 HydrophobicContact CB-CB 4.41Å; R28-D30 IonicContact CZ-OD2 2.65Å; R28-D30 IonicContact NE-OD2 2.88Å; R28-D30 PolarHBondContact NE-OD2 3.4Å; R28-D30 IonicContact NH2-OD2 2.88Å; R28-D30 PolarHBondContact NH2-OD2 3.08Å; R28-D30 PolarHBondContact O-N 3.23Å; D30-G32 PolarHBondContact O-N 3.32Å; D30-G32 VanDerWaalsContact O-N 3.14Å; D30-G32 PolarHBondContact OD1-N 3.24Å; D30-Y111 PolarHBondContact OD1-OH 3.03Å; D30-Y111 PolarHBondContact OD2-OH 2.73Å
31Q93.9Very high94.6Very high99 Ų9964.4 Ų64.446%0.46331%0.313SS..SBendtrans57.227.5178.3-55-179.66.500113D24 K29 F34 K108D24-Q31 VanDerWaalsContact OD2-CA 3.27Å; D24-Q31 WeakPolarHBondContact OD2-CA 3.32Å; D24-Q31 PolarHBondContact OD2-N 2.63Å; K29-Q31 VanDerWaalsContact C-N 3.3Å; Q31-F34 HydrophobicContact CB-CE2 3.74Å; Q31-F34 HydrophobicContact CB-CZ 3.68Å; Q31-F34 HydrophobicContact CG-CE2 4.38Å; Q31-F34 HydrophobicContact CG-CZ 3.8Å; Q31-K108 WeakPolarHBondContact O-CD 3.12Å; Q31-K108 WeakPolarHBondContact O-CE 3.38Å; Q31-K108 PolarHBondContact O-NZ 3.23Å
32G94.8Very high94.7Very high2 Ų264 Ų642%0.02131%0.311CS..SBendtrans-74.7-29.8177.600000113.9D30 K108D30-G32 PolarHBondContact O-N 3.32Å; D30-G32 VanDerWaalsContact O-N 3.14Å; D30-G32 PolarHBondContact OD1-N 3.24Å; G32-K108 WeakPolarHBondContact O-CB 3.31Å; G32-K108 PolarHBondContact O-N 3.48Å
33V97.3Very high94.1Very high0 Ų070.7 Ų70.70%034%0.342CS..EExtended strand (participates in β ladder)trans-141.9112.5-175.6-170.70000109.7V25 T26 A89 L106 Y111V25-V33 HydrophobicContact CG2-CB 3.89Å; V25-V33 HydrophobicContact CG2-CG1 3.61Å; V25-V33 WeakPolarHBondContact CG2-O 3.41Å; V25-V33 PolarHBondContact N-O 2.92Å; T26-V33 HydrophobicContact CG2-CB 3.85Å; T26-V33 HydrophobicContact CG2-CG2 3.87Å; V33-A89 HydrophobicContact CG1-CB 4.21Å; V33-A89 HydrophobicContact CG2-CB 3.72Å; V33-L106 WeakPolarHBondContact CA-O 3.27Å; V33-Y111 HydrophobicContact CG2-CD1 3.88Å; V33-Y111 HydrophobicContact CG2-CG 3.85Å
34F96.6Very high93.6Very high12 Ų1268.5 Ų68.55%0.05334%0.344CS..EExtended strand (participates in β ladder)trans-101.5137172.3-73.7-81000110.7T15 F18 A19 I23 D24 Q31 L105 L106T15-F34 HydrophobicContact CG2-CE2 4.1Å; F18-F34 HydrophobicContact CB-CB 3.84Å; F18-F34 HydrophobicContact CB-CD2 4.44Å; F18-F34 HydrophobicContact CB-CG 4.16Å; F18-F34 HydrophobicContact CD1-CB 4.09Å; F18-F34 HydrophobicContact CG-CB 4.42Å; A19-F34 HydrophobicContact CB-CE1 3.98Å; A19-F34 HydrophobicContact CB-CZ 3.92Å; I23-F34 CarbonylContact O-C 3.59Å; I23-F34 WeakPolarHBondContact O-CA 3.29Å; D24-F34 HydrophobicContact CB-CD1 4.23Å; D24-F34 HydrophobicContact CB-CE1 3.96Å; Q31-F34 HydrophobicContact CB-CE2 3.74Å; Q31-F34 HydrophobicContact CB-CZ 3.68Å; Q31-F34 HydrophobicContact CG-CE2 4.38Å; Q31-F34 HydrophobicContact CG-CZ 3.8Å; F34-L105 CarbonylContact O-C 3.56Å; F34-L105 VanDerWaalsContact O-CA 3.3Å; F34-L105 WeakPolarHBondContact O-CA 3.47Å; F34-L106 HydrophobicContact CB-CB 4.33Å; F34-L106 HydrophobicContact CD2-CD2 4.39Å; F34-L106 PolarHBondContact N-O 2.9Å; F34-L106 PolarHBondContact O-N 3.06Å
35K97Very high93.2Very high9 Ų972 Ų724%0.03936%0.363CS..EExtended strand (participates in β ladder)trans-112.7130.2173-175.7175.591.61640110.9G22 I23 V25 S96 E101 C103 T104 L105G22-K35 CarbonylContact C-O 3.5Å; G22-K35 WeakPolarHBondContact CA-O 3.48Å; I23-K35 HydrophobicContact CG1-CB 4.15Å; I23-K35 PolarHBondContact N-O 3.27Å; I23-K35 PolarHBondContact O-N 2.82Å; V25-K35 HydrophobicContact CG1-CB 3.74Å; V25-K35 HydrophobicContact CG1-CD 4.49Å; V25-K35 HydrophobicContact CG2-CB 4.44Å; K35-S96 VanDerWaalsContact CD-OG 3.28Å; K35-S96 WeakPolarHBondContact CD-OG 3.33Å; K35-S96 WeakPolarHBondContact CE-OG 3.48Å; K35-S96 PolarHBondContact NZ-O 2.84Å; K35-S96 PolarHBondContact NZ-OG 3.45Å; K35-S96 VanDerWaalsContact NZ-OG 3.13Å; K35-E101 VanDerWaalsContact CE-OE1 3.31Å; K35-E101 WeakPolarHBondContact CE-OE1 3.3Å; K35-E101 IonicContact NZ-OE1 3.1Å; K35-E101 PolarHBondContact NZ-OE1 2.81Å; K35-E101 IonicContact NZ-OE2 2.7Å; K35-E101 PolarHBondContact NZ-OE2 3.14Å; K35-C103 HydrophobicContact CD-CB 3.95Å; K35-C103 HydrophobicContact CG-CB 3.77Å; K35-T104 WeakPolarHBondContact CA-O 3.48Å; K35-L105 HydrophobicContact CB-CD2 3.66Å; K35-L105 HydrophobicContact CD-CD2 4.11Å; K35-L105 HydrophobicContact CG-CD2 3.66Å
36V96.8Very high93.1Very high12 Ų1277.3 Ų77.37%0.07338%0.38CS..EExtended strand (participates in β ladder)trans-116.1118.3168.4179.40000108.2F18 C103 T104F18-V36 HydrophobicContact CD1-CG2 3.56Å; F18-V36 HydrophobicContact CE1-CB 4.48Å; F18-V36 HydrophobicContact CE1-CG2 3.9Å; F18-V36 HydrophobicContact CG-CG2 4.29Å; V36-C103 CarbonylContact O-C 3.56Å; V36-C103 VanDerWaalsContact O-CA 3.29Å; V36-C103 WeakPolarHBondContact O-CA 3.14Å; V36-C103 WeakPolarHBondContact O-CB 3.44Å; V36-T104 PolarHBondContact N-O 3.1Å; V36-T104 PolarHBondContact O-N 3.05Å
37V96.3Very high93.2Very high48 Ų4877.5 Ų77.529%0.29138%0.382SS..EExtended strand (participates in β ladder)trans-77.9126.7177.9-178.40000109.5R39 Q40 E101V37-R39 WeakPolarHBondContact CG1-O 3.28Å; V37-Q40 HydrophobicContact CG1-CG 4.48Å; V37-E101 HydrophobicContact CG1-CG 4.07Å
38R95.7Very high93.4Very high118 Ų11874.2 Ų74.245%0.44536%0.357SS..EExtended strand (participates in β ladder)trans-96.9-39.8176.7-61.5-62.2-178-175-5.6112.1V102 T104R38-V102 WeakPolarHBondContact CA-O 3.38Å; R38-V102 HydrophobicContact CB-CB 4.4Å; R38-V102 HydrophobicContact CB-CG1 4.21Å; R38-V102 WeakPolarHBondContact CB-O 3.48Å; R38-V102 PolarHBondContact N-O 2.96Å; R38-T104 PolarHBondContact NE-OG1 2.9Å; R38-T104 PolarHBondContact NH2-OG1 2.81Å
39R95.9Very high93.5Very high124 Ų12466.8 Ų66.847%0.46833%0.331SS..EExtended strand (participates in β ladder)trans-136.6125.4174.7-170175.668.6-154.32.6107.6V37 G100 E101 V102 E133V37-R39 WeakPolarHBondContact CG1-O 3.28Å; R39-G100 PolarHBondContact NH2-O 2.85Å; R39-E101 WeakPolarHBondContact O-CA 3.39Å; R39-E101 WeakPolarHBondContact O-CG 3.35Å; R39-V102 HydrophobicContact CB-CB 3.88Å; R39-V102 HydrophobicContact CB-CG2 4.06Å; R39-V102 PolarHBondContact N-O 2.84Å; R39-V102 PolarHBondContact O-N 3.13Å; R39-E133 IonicContact CZ-OE1 3.76Å; R39-E133 IonicContact NH2-OE1 2.67Å; R39-E133 PolarHBondContact NH2-OE1 2.64Å
40Q95.3Very high93.6Very high137 Ų13760.3 Ų60.364%0.6430%0.304SS*.  trans-61.4146176-65.2-63.2-9.600110.3V37V37-Q40 HydrophobicContact CG1-CG 4.48Å
41G92.1Very high93.7Very high16 Ų1657.6 Ų57.617%0.16529%0.289CS..  trans-74.3-179.1170.600000111.8R99G41-R99 CarbonylContact C-O 3.58Å; G41-R99 WeakPolarHBondContact CA-O 3.31Å
42L90Very high93.9Very high104 Ų10458 Ų5855%0.54529%0.289SS..  trans-74.6145.9168.1-59.5173.2000109.4G44 R99L42-G44 PolarHBondContact O-N 3.43Å; L42-R99 PolarHBondContact N-O 2.7Å
43D78.3Confident94Very high161 Ų16157.9 Ų57.986%0.86129%0.288SS*.SBendtrans-58135.7170.7-71.5-34.5000110.4
44G82.4Confident94Very high54 Ų5459.4 Ų59.456%0.55730%0.297SS*.SBendtrans145-162.4-179.600000113.3L42L42-G44 PolarHBondContact O-N 3.43Å
45D88.1Confident94.1Very high96 Ų9658.8 Ų58.851%0.51330%0.295SS..PPolyproline II helixtrans-68.3159.2-177.1-75.6-9.4000113.1F137 R151D45-F137 HydrophobicContact CB-CE2 4.44Å; D45-F137 HydrophobicContact CB-CZ 4.04Å; D45-F137 VanDerWaalsContact O-CZ 3.3Å; D45-F137 WeakPolarHBondContact O-CZ 3.39Å; D45-R151 IonicContact OD2-NH1 3.94Å; D45-R151 PolarHBondContact OD2-NH1 3.02Å; D45-R151 VanDerWaalsContact OD2-NH1 3.1Å
46R94.9Very high94.1Very high134 Ų13459.2 Ų59.251%0.50630%0.297SS..PPolyproline II helixtrans-100.5159.1167.3-59.7-175.9-179.8166.60.3110.1M97 Q98 R151R46-M97 WeakPolarHBondContact CB-O 3.35Å; R46-M97 WeakPolarHBondContact CG-O 3.11Å; R46-Q98 HydrophobicContact CG-CG 4.18Å; R46-R151 PolarHBondContact O-NH2 3.01Å
47P96.9Very high94.1Very high6 Ų659.3 Ų59.34%0.03930%0.296CS..PPolyproline II helixtrans-55.4142.8168.4-21.431.8000111.4V53 V81 V94 L95 M97 L134 F137P47-V53 HydrophobicContact CB-CG1 3.88Å; P47-V53 HydrophobicContact CG-CG1 4.1Å; P47-V81 HydrophobicContact CB-CG1 4.07Å; P47-V94 HydrophobicContact CG-CG1 4.42Å; P47-L95 HydrophobicContact CB-CD2 4.48Å; P47-L95 VanDerWaalsContact O-CD2 3.28Å; P47-L95 WeakPolarHBondContact O-CD2 3.28Å; P47-M97 WeakPolarHBondContact CD-O 3.31Å; P47-L134 HydrophobicContact CG-CD2 3.58Å; P47-F137 HydrophobicContact CB-CB 4.3Å; P47-F137 HydrophobicContact CB-CD1 4.49Å; P47-F137 HydrophobicContact CB-CG 4.19Å; P47-F137 HydrophobicContact CG-CB 4.12Å; P47-F137 HydrophobicContact CG-CD1 3.7Å; P47-F137 HydrophobicContact CG-CE1 4.24Å; P47-F137 HydrophobicContact CG-CG 3.87Å
48M96.9Very high94.1Very high42 Ų4258 Ų5821%0.20729%0.288CS..  trans-108.9167.8173-71.3-173.8-173.300110.2G50 D51 V81 R151 K153 L216M48-G50 PolarHBondContact O-N 2.74Å; M48-D51 PolarHBondContact N-OD2 2.91Å; M48-D51 VanDerWaalsContact O-CB 3.3Å; M48-D51 WeakPolarHBondContact O-CB 3.27Å; M48-D51 PolarHBondContact O-N 3.34Å; M48-D51 VanDerWaalsContact O-N 3.09Å; M48-V81 VanDerWaalsContact O-CG1 3.25Å; M48-V81 WeakPolarHBondContact O-CG1 3.05Å; M48-R151 HydrophobicContact CB-CB 4.13Å; M48-R151 HydrophobicContact CG-CB 4.44Å; M48-R151 HydrophobicContact SD-CB 3.63Å; M48-K153 HydrophobicContact SD-CG 4.26Å; M48-L216 HydrophobicContact CE-CD1 4.23Å; M48-L216 HydrophobicContact SD-CD1 4.38Å
49I96.6Very high94.1Very high34 Ų3452.4 Ų52.417%0.17427%0.267CS..BIsolated β-bridgetrans-60.9132.6-179.4-62169.2000109.1D51 L95 I152 K155I49-D51 VanDerWaalsContact C-N 3.3Å; I49-D51 PolarHBondContact O-N 3.49Å; I49-L95 HydrophobicContact CG1-CD1 4.2Å; I49-L95 HydrophobicContact CG1-CD2 4.44Å; I49-I152 HydrophobicContact CB-CB 3.97Å; I49-I152 HydrophobicContact CB-CG2 4.23Å; I49-I152 HydrophobicContact CG2-CB 4.31Å; I49-I152 HydrophobicContact CG2-CD1 4.41Å; I49-I152 HydrophobicContact CG2-CG2 4.39Å; I49-I152 PolarHBondContact N-O 2.84Å; I49-I152 VanDerWaalsContact O-CB 3.25Å; I49-I152 WeakPolarHBondContact O-CB 3.25Å; I49-I152 PolarHBondContact O-N 3.22Å; I49-K155 HydrophobicContact CD1-CB 4.09Å
50G94.9Very high94Very high1 Ų148.4 Ų48.41%0.0125%0.253CS..THydrogen-bonded Turntrans87.8-15.8-17800000115.1M48 K52 N80 V81M48-G50 PolarHBondContact O-N 2.74Å; G50-K52 PolarHBondContact O-N 3.01Å; G50-N80 PolarHBondContact O-ND2 3.2Å; G50-V81 PolarHBondContact N-O 3Å
51D97.6Very high93.9Very high0 Ų042.9 Ų42.90%023%0.228CC..  trans-57.4139.3177-72.5-0.1000110.2M48 I49 V53 N80 V81 E138 R151M48-D51 PolarHBondContact N-OD2 2.91Å; M48-D51 VanDerWaalsContact O-CB 3.3Å; M48-D51 WeakPolarHBondContact O-CB 3.27Å; M48-D51 PolarHBondContact O-N 3.34Å; M48-D51 VanDerWaalsContact O-N 3.09Å; I49-D51 VanDerWaalsContact C-N 3.3Å; I49-D51 PolarHBondContact O-N 3.49Å; D51-V53 PolarHBondContact O-N 2.86Å; D51-N80 WeakPolarHBondContact O-CA 3.25Å; D51-V81 HydrophobicContact CB-CG1 4.33Å; D51-V81 PolarHBondContact O-N 2.76Å; D51-E138 CarbonylContact C-O 3.53Å; D51-E138 VanDerWaalsContact CA-O 3.24Å; D51-E138 WeakPolarHBondContact CA-O 3.4Å; D51-E138 WeakPolarHBondContact CB-O 3.4Å; D51-R151 IonicContact OD1-NE 3.93Å; D51-R151 PolarHBondContact OD1-NE 3.17Å; D51-R151 IonicContact OD2-CZ 2.69Å; D51-R151 VanDerWaalsContact OD2-CZ 3.32Å; D51-R151 IonicContact OD2-NE 3.87Å; D51-R151 PolarHBondContact OD2-NE 2.92Å; D51-R151 IonicContact OD2-NH2 3.15Å; D51-R151 PolarHBondContact OD2-NH2 3.09Å
52K97.3Very high93.8Very high108 Ų10843.6 Ų43.647%0.4723%0.228SC..EExtended strand (participates in β ladder)trans-79.1113.1170.6-174.4178.9179.7-176.60107.9G50 F79 F137 E138G50-K52 PolarHBondContact O-N 3.01Å; K52-F79 WeakPolarHBondContact CA-O 3.3Å; K52-F137 CarbonylContact O-C 3.55Å; K52-F137 VanDerWaalsContact O-CA 3.24Å; K52-F137 WeakPolarHBondContact O-CA 3.32Å; K52-E138 PolarHBondContact N-O 3.27Å; K52-E138 PolarHBondContact O-N 3.19Å
53V97.6Very high93.6Very high0 Ų042.8 Ų42.80%023%0.227CC..EExtended strand (participates in β ladder)trans-102.6148179.8-59.50000110.5P47 D51 C78 F79 V81 V94 L134 F137P47-V53 HydrophobicContact CB-CG1 3.88Å; P47-V53 HydrophobicContact CG-CG1 4.1Å; D51-V53 PolarHBondContact O-N 2.86Å; V53-C78 VanDerWaalsContact O-CA 3.26Å; V53-C78 WeakPolarHBondContact O-CA 3.5Å; V53-F79 HydrophobicContact CG2-CD1 3.77Å; V53-F79 HydrophobicContact CG2-CD2 3.93Å; V53-F79 HydrophobicContact CG2-CE1 3.49Å; V53-F79 VanDerWaalsContact CG2-CE1 3.49Å; V53-F79 HydrophobicContact CG2-CE2 3.65Å; V53-F79 HydrophobicContact CG2-CG 3.99Å; V53-F79 HydrophobicContact CG2-CZ 3.43Å; V53-F79 VanDerWaalsContact CG2-CZ 3.43Å; V53-F79 WeakPolarHBondContact CG2-O 3.44Å; V53-F79 PolarHBondContact N-O 2.88Å; V53-F79 PolarHBondContact O-N 2.59Å; V53-V81 HydrophobicContact CG1-CB 3.93Å; V53-V81 HydrophobicContact CG1-CG1 3.77Å; V53-V81 HydrophobicContact CG2-CB 4.2Å; V53-V94 HydrophobicContact CB-CG1 4.31Å; V53-V94 HydrophobicContact CG1-CG1 4.07Å; V53-V94 HydrophobicContact CG2-CG1 4.19Å; V53-L134 HydrophobicContact CB-CD1 4.19Å; V53-F137 HydrophobicContact CG1-CB 3.89Å
54T97.4Very high94Very high31 Ų3137.1 Ų37.119%0.1921%0.207CC..EExtended strand (participates in β ladder)trans-121.3120.3174.7-56.60000108.4P76 C78 L135 N136T54-P76 HydrophobicContact CG2-CB 3.53Å; T54-P76 HydrophobicContact CG2-CG 4.22Å; T54-C78 PolarHBondContact OG1-SG 3.32Å; T54-C78 VanDerWaalsContact OG1-SG 3.41Å; T54-L135 HydrophobicContact CG2-CB 4.26Å; T54-L135 HydrophobicContact CG2-CD1 4.1Å; T54-L135 WeakPolarHBondContact O-CB 3.49Å; T54-L135 PolarHBondContact O-N 3.02Å; T54-N136 PolarHBondContact N-O 2.89Å; T54-N136 PolarHBondContact O-N 2.83Å
55V97.6Very high94.4Very high0 Ų040.6 Ų40.60%021%0.206CC..EExtended strand (participates in β ladder)trans-131.5148.8-175.5-56.40000112.4Y57 F77 F79 W90 M132 E133 L134V55-Y57 HydrophobicContact CG2-CD1 4.49Å; V55-F77 HydrophobicContact CG2-CB 4.37Å; V55-F77 HydrophobicContact CG2-CD1 4.44Å; V55-F77 PolarHBondContact N-O 3.31Å; V55-F77 PolarHBondContact O-N 2.89Å; V55-F79 HydrophobicContact CG1-CE1 4.45Å; V55-F79 HydrophobicContact CG2-CE1 3.91Å; V55-W90 HydrophobicContact CG2-CZ3 4.29Å; V55-M132 HydrophobicContact CB-CE 4.4Å; V55-M132 HydrophobicContact CG1-CE 4.44Å; V55-M132 HydrophobicContact CG2-CE 4.04Å; V55-E133 CarbonylContact C-O 3.54Å; V55-E133 WeakPolarHBondContact CA-O 3.49Å; V55-E133 WeakPolarHBondContact CB-O 3.49Å; V55-L134 HydrophobicContact CG1-CD1 3.9Å
56H97.3Very high94.6Very high18 Ų1840.8 Ų40.88%0.08320%0.203CC..EExtended strand (participates in β ladder)trans-98.5144.7153.8-86.6-54.3000109.5S70 W71 M132 E133H56-S70 WeakPolarHBondContact CA-OG 3.09Å; H56-S70 PolarHBondContact ND1-OG 2.72Å; H56-W71 HydrophobicContact CB-CZ2 3.9Å; H56-W71 AromaticContact CD2-CE2 3.91Å; H56-W71 AromaticContact CD2-CH2 3.48Å; H56-W71 VanDerWaalsContact CD2-CH2 3.48Å; H56-W71 WeakPolarHBondContact CD2-CH2 3.47Å; H56-W71 AromaticContact CD2-CZ2 3.37Å; H56-W71 WeakPolarHBondContact CD2-CZ2 3.35Å; H56-W71 AromaticContact CG-CE2 3.63Å; H56-W71 AromaticContact CG-CZ2 3.54Å; H56-W71 AromaticContact CG-NE1 3.95Å; H56-W71 AromaticContact ND1-CE2 3.85Å; H56-W71 AromaticContact NE2-CH2 3.67Å; H56-W71 AromaticContact NE2-CZ2 3.95Å; H56-W71 AromaticContact NE2-CZ3 3.82Å; H56-M132 CarbonylContact O-C 3.53Å; H56-M132 WeakPolarHBondContact O-CA 3.24Å; H56-E133 HydrophobicContact CB-CB 4.32Å; H56-E133 PolarHBondContact N-O 3.49Å; H56-E133 PolarHBondContact O-N 2.83Å
57Y96.4Very high94.5Very high14 Ų1435.6 Ų35.66%0.05518%0.184CC..EExtended strand (participates in β ladder)trans-149.7158.8177.675-81.4000113.7V55 D68 S70 F77 W90 F130 E131V55-Y57 HydrophobicContact CG2-CD1 4.49Å; Y57-D68 HydrophobicContact CE2-CB 4.22Å; Y57-D68 WeakPolarHBondContact CE2-OD2 3.33Å; Y57-D68 PolarHBondContact OH-OD2 2.85Å; Y57-S70 PolarHBondContact N-OG 3.17Å; Y57-S70 PolarHBondContact O-N 3.01Å; Y57-S70 PolarHBondContact O-OG 2.89Å; Y57-F77 HydrophobicContact CD1-CB 4.29Å; Y57-F77 HydrophobicContact CE1-CB 3.87Å; Y57-F77 HydrophobicContact CE1-CD1 4.36Å; Y57-F77 HydrophobicContact CE1-CG 4.25Å; Y57-W90 AromaticContact CD1-CH2 3.48Å; Y57-W90 HydrophobicContact CD1-CH2 3.48Å; Y57-W90 VanDerWaalsContact CD1-CH2 3.48Å; Y57-W90 HydrophobicContact CD1-CZ2 4.35Å; Y57-W90 HydrophobicContact CD1-CZ3 4.27Å; Y57-W90 AromaticContact CD2-CH2 3.52Å; Y57-W90 HydrophobicContact CD2-CH2 3.52Å; Y57-W90 AromaticContact CD2-CZ2 3.57Å; Y57-W90 HydrophobicContact CD2-CZ2 3.57Å; Y57-W90 AromaticContact CE1-CH2 3.7Å; Y57-W90 HydrophobicContact CE1-CH2 3.7Å; Y57-W90 HydrophobicContact CE1-CZ3 4.47Å; Y57-W90 AromaticContact CE2-CH2 3.74Å; Y57-W90 HydrophobicContact CE2-CH2 3.74Å; Y57-W90 AromaticContact CE2-CZ2 3.92Å; Y57-W90 HydrophobicContact CE2-CZ2 3.92Å; Y57-W90 AromaticContact CG-CH2 3.38Å; Y57-W90 HydrophobicContact CG-CH2 3.38Å; Y57-W90 AromaticContact CG-CZ2 3.8Å; Y57-W90 HydrophobicContact CG-CZ2 3.8Å; Y57-W90 HydrophobicContact CG-CZ3 4.45Å; Y57-W90 AromaticContact CZ-CH2 3.82Å; Y57-F130 HydrophobicContact CD2-CD1 4.12Å; Y57-F130 HydrophobicContact CD2-CE1 4.28Å; Y57-E131 CarbonylContact C-O 3.55Å; Y57-E131 WeakPolarHBondContact CA-O 3.33Å; Y57-E131 WeakPolarHBondContact CB-O 3.42Å
58T96.3Very high94.1Very high20 Ų2036.9 Ų36.912%0.12319%0.191CC..EExtended strand (participates in β ladder)trans-133.7125.3166.2-56.10000109.3K60 K66 C69 F130 E131T58-K60 HydrophobicContact CG2-CG 4.2Å; T58-K66 HydrophobicContact CG2-CD 3.67Å; T58-K66 HydrophobicContact CG2-CG 3.88Å; T58-C69 HydrophobicContact CG2-CB 4.39Å; T58-F130 WeakPolarHBondContact O-CA 3.49Å; T58-E131 PolarHBondContact N-O 2.88Å; T58-E131 PolarHBondContact O-N 3.05Å
59G95.6Very high93.9Very high0 Ų035.2 Ų35.20%018%0.183CC..EExtended strand (participates in β ladder)trans-101.6128.2175.800000112.1K66 F67 D68 F130G59-K66 WeakPolarHBondContact O-CA 3.35Å; G59-F67 PolarHBondContact O-N 2.69Å; G59-D68 PolarHBondContact N-O 3.18Å; G59-D68 PolarHBondContact O-N 3.15Å; G59-F130 VanDerWaalsContact CA-CD1 3.49Å
60K94.6Very high93.6Very high41 Ų4133.7 Ų33.718%0.17818%0.175CC..EExtended strand (participates in β ladder)trans-131.4145.5-178.4-58.3173.6-173.31640110.6D4 T58 K65 K66 F67 V129 E131D4-K60 IonicContact OD2-NZ 3.43Å; D4-K60 PolarHBondContact OD2-NZ 3.29Å; D4-K60 VanDerWaalsContact OD2-NZ 3.15Å; T58-K60 HydrophobicContact CG2-CG 4.2Å; K60-K65 WeakPolarHBondContact CA-O 3.32Å; K60-K66 HydrophobicContact CG-CB 4.33Å; K60-F67 VanDerWaalsContact C-CE1 3.4Å; K60-F67 WeakPolarHBondContact O-CE1 3.27Å; K60-V129 PolarHBondContact N-O 3.44Å; K60-V129 PolarHBondContact O-N 2.86Å; K60-E131 VanDerWaalsContact NZ-CD 3.3Å; K60-E131 IonicContact NZ-OE1 3.42Å; K60-E131 PolarHBondContact NZ-OE1 2.76Å; K60-E131 IonicContact NZ-OE2 2.94Å; K60-E131 PolarHBondContact NZ-OE2 2.89Å
61L93.3Very high93Very high21 Ų2140.6 Ų40.611%0.1120%0.201CC..EExtended strand (participates in β ladder)trans-70.9162.6162.9-64178.3000109.7T63 G64 K65 F67 I122 V128L61-T63 PolarHBondContact O-N 3.12Å; L61-T63 VanDerWaalsContact O-N 3.12Å; L61-G64 WeakPolarHBondContact O-CA 3.46Å; L61-G64 PolarHBondContact O-N 3.27Å; L61-K65 HydrophobicContact CB-CB 4.47Å; L61-K65 HydrophobicContact CD1-CB 4.3Å; L61-K65 HydrophobicContact CD1-CD 4.35Å; L61-K65 PolarHBondContact N-O 2.83Å; L61-F67 HydrophobicContact CD2-CD1 4.2Å; L61-F67 HydrophobicContact CD2-CE1 4.38Å; L61-F67 HydrophobicContact CG-CD1 4.16Å; L61-I122 HydrophobicContact CD2-CG2 4.14Å; L61-V128 HydrophobicContact CD2-CG1 4.13Å
62L89.8Confident92.3Very high30 Ų3046.4 Ų46.416%0.15723%0.228CC..THydrogen-bonded Turntrans-59.9-20.8173.6-67.2-176.4000113.9M9 D11 A14 G64 L106 V129M9-L62 PolarHBondContact N-O 2.84Å; D11-L62 HydrophobicContact CB-CD1 4.13Å; D11-L62 WeakPolarHBondContact OD1-CD1 3.49Å; A14-L62 HydrophobicContact CB-CD1 4.03Å; A14-L62 HydrophobicContact CB-CD2 3.7Å; A14-L62 HydrophobicContact CB-CG 4.49Å; L62-G64 PolarHBondContact O-N 3.18Å; L62-L106 HydrophobicContact CD2-CD1 3.81Å; L62-V129 HydrophobicContact CD2-CG2 3.66Å
63T86.6Confident91.7Very high88 Ų8848.5 Ų48.554%0.5423%0.233SC..THydrogen-bonded Turntrans-71.7-6.7171.660.30000113.3L61 K65L61-T63 PolarHBondContact O-N 3.12Å; L61-T63 VanDerWaalsContact O-N 3.12Å; T63-K65 VanDerWaalsContact C-N 3.3Å; T63-K65 PolarHBondContact OG1-N 2.91Å
64G85.9Confident91.2Very high42 Ų4257.5 Ų57.543%0.43327%0.272SS..SBendtrans86.2-8.5-172.500000114.1L61 L62 K66L61-G64 WeakPolarHBondContact O-CA 3.46Å; L61-G64 PolarHBondContact O-N 3.27Å; L62-G64 PolarHBondContact O-N 3.18Å; G64-K66 PolarHBondContact O-N 3.36Å
65K90.4Very high90.9Very high126 Ų12662.9 Ų62.955%0.54830%0.295SS..  trans-64.1111.2178.6-176.6-177.8177.2-173.20110.1K60 L61 T63K60-K65 WeakPolarHBondContact CA-O 3.32Å; L61-K65 HydrophobicContact CB-CB 4.47Å; L61-K65 HydrophobicContact CD1-CB 4.3Å; L61-K65 HydrophobicContact CD1-CD 4.35Å; L61-K65 PolarHBondContact N-O 2.83Å; T63-K65 VanDerWaalsContact C-N 3.3Å; T63-K65 PolarHBondContact OG1-N 2.91Å
66K93.4Very high90.7Very high101 Ų10165.6 Ų65.644%0.43931%0.313SS..EExtended strand (participates in β ladder)trans-66.9133.2172.7-174.117761.3169.90110.3T58 G59 K60 G64 C69 E72T58-K66 HydrophobicContact CG2-CD 3.67Å; T58-K66 HydrophobicContact CG2-CG 3.88Å; G59-K66 WeakPolarHBondContact O-CA 3.35Å; K60-K66 HydrophobicContact CG-CB 4.33Å; G64-K66 PolarHBondContact O-N 3.36Å; K66-C69 HydrophobicContact CD-CB 4.06Å; K66-E72 WeakPolarHBondContact CE-OE1 3.44Å; K66-E72 IonicContact NZ-OE1 2.69Å; K66-E72 PolarHBondContact NZ-OE1 3.21Å
67F91.8Very high90.6Very high25 Ų2568.2 Ų68.211%0.1132%0.324CS..EExtended strand (participates in β ladder)trans-119.8-19.5178.861.1-104.7000113.9G59 K60 L61 K121 I122 V128 F130G59-F67 PolarHBondContact O-N 2.69Å; K60-F67 VanDerWaalsContact C-CE1 3.4Å; K60-F67 WeakPolarHBondContact O-CE1 3.27Å; L61-F67 HydrophobicContact CD2-CD1 4.2Å; L61-F67 HydrophobicContact CD2-CE1 4.38Å; L61-F67 HydrophobicContact CG-CD1 4.16Å; F67-K121 HydrophobicContact CB-CB 4.48Å; F67-I122 HydrophobicContact CD1-CD1 4.33Å; F67-I122 HydrophobicContact CD1-CG1 4.28Å; F67-I122 HydrophobicContact CD2-CD1 3.84Å; F67-I122 HydrophobicContact CD2-CG1 4.31Å; F67-I122 HydrophobicContact CE1-CD1 4.21Å; F67-I122 HydrophobicContact CE2-CD1 3.75Å; F67-I122 HydrophobicContact CG-CD1 4.15Å; F67-I122 HydrophobicContact CG-CG1 4.16Å; F67-I122 HydrophobicContact CZ-CD1 3.94Å; F67-V128 HydrophobicContact CE1-CB 4.04Å; F67-V128 HydrophobicContact CE1-CG1 3.89Å; F67-V128 HydrophobicContact CZ-CB 4.11Å; F67-V128 HydrophobicContact CZ-CG1 4.14Å; F67-F130 AromaticContact CE2-CE1 3.99Å; F67-F130 HydrophobicContact CE2-CE1 3.99Å; F67-F130 AromaticContact CE2-CZ 3.95Å; F67-F130 HydrophobicContact CE2-CZ 3.95Å; F67-F130 AromaticContact CZ-CE1 3.9Å; F67-F130 HydrophobicContact CZ-CE1 3.9Å; F67-F130 HydrophobicContact CZ-CE2 4.39Å; F67-F130 AromaticContact CZ-CZ 3.67Å; F67-F130 HydrophobicContact CZ-CZ 3.67Å
68D89.4Confident90.6Very high33 Ų3370.3 Ų70.318%0.17634%0.34CS..EExtended strand (participates in β ladder)trans-156.1148.6175.3-165.220.3000111.4Y57 G59 R73Y57-D68 HydrophobicContact CE2-CB 4.22Å; Y57-D68 WeakPolarHBondContact CE2-OD2 3.33Å; Y57-D68 PolarHBondContact OH-OD2 2.85Å; G59-D68 PolarHBondContact N-O 3.18Å; G59-D68 PolarHBondContact O-N 3.15Å; D68-R73 IonicContact OD1-CZ 2.72Å; D68-R73 IonicContact OD1-NE 2.65Å; D68-R73 IonicContact OD1-NH2 3.42Å; D68-R73 PolarHBondContact OD1-NH2 2.86Å; D68-R73 IonicContact OD2-NH2 3.04Å; D68-R73 PolarHBondContact OD2-NH2 3.01Å
69C92.2Very high90.6Very high7 Ų769.8 Ų69.85%0.04734%0.336CS..EExtended strand (participates in β ladder)trans-156.9127.1-179.9-176.70000111.6T58 K66 W71 E72T58-C69 HydrophobicContact CG2-CB 4.39Å; K66-C69 HydrophobicContact CD-CB 4.06Å; C69-W71 VanDerWaalsContact C-N 3.33Å; C69-W71 PolarHBondContact O-N 3.05Å; C69-E72 HydrophobicContact CB-CG 4.02Å; C69-E72 PolarHBondContact O-N 2.9Å
70S90.1Very high90.7Very high2 Ų272.1 Ų72.11%0.01435%0.349CS..G310 helixtrans-64.9-33.8176.858.50000113.4H56 Y57 E72 R73 K74H56-S70 WeakPolarHBondContact CA-OG 3.09Å; H56-S70 PolarHBondContact ND1-OG 2.72Å; Y57-S70 PolarHBondContact N-OG 3.17Å; Y57-S70 PolarHBondContact O-N 3.01Å; Y57-S70 PolarHBondContact O-OG 2.89Å; S70-E72 VanDerWaalsContact C-N 3.25Å; S70-E72 PolarHBondContact O-N 3.13Å; S70-R73 WeakPolarHBondContact O-CA 3.2Å; S70-R73 WeakPolarHBondContact O-CB 3.36Å; S70-R73 PolarHBondContact O-N 2.83Å; S70-K74 PolarHBondContact O-N 2.79Å
71W82.3Confident90.8Very high145 Ų14570.2 Ų70.255%0.54934%0.341SS..G310 helixtrans-64.8-28.5-178.5-64.199.3000113.4H56 C69 R73 K74H56-W71 HydrophobicContact CB-CZ2 3.9Å; H56-W71 AromaticContact CD2-CE2 3.91Å; H56-W71 AromaticContact CD2-CH2 3.48Å; H56-W71 VanDerWaalsContact CD2-CH2 3.48Å; H56-W71 WeakPolarHBondContact CD2-CH2 3.47Å; H56-W71 AromaticContact CD2-CZ2 3.37Å; H56-W71 WeakPolarHBondContact CD2-CZ2 3.35Å; H56-W71 AromaticContact CG-CE2 3.63Å; H56-W71 AromaticContact CG-CZ2 3.54Å; H56-W71 AromaticContact CG-NE1 3.95Å; H56-W71 AromaticContact ND1-CE2 3.85Å; H56-W71 AromaticContact NE2-CH2 3.67Å; H56-W71 AromaticContact NE2-CZ2 3.95Å; H56-W71 AromaticContact NE2-CZ3 3.82Å; C69-W71 VanDerWaalsContact C-N 3.33Å; C69-W71 PolarHBondContact O-N 3.05Å; W71-R73 PolarHBondContact O-N 2.86Å; W71-K74 PolarHBondContact O-N 2.69Å; W71-K74 VanDerWaalsContact O-N 3.09Å
72E83.4Confident90.9Very high123 Ų12369.7 Ų69.758%0.57534%0.341SS*.G310 helixtrans-65.8-26174.6-68.1175.6-172.400111.9K66 C69 S70K66-E72 WeakPolarHBondContact CE-OE1 3.44Å; K66-E72 IonicContact NZ-OE1 2.69Å; K66-E72 PolarHBondContact NZ-OE1 3.21Å; C69-E72 HydrophobicContact CB-CG 4.02Å; C69-E72 PolarHBondContact O-N 2.9Å; S70-E72 VanDerWaalsContact C-N 3.25Å; S70-E72 PolarHBondContact O-N 3.13Å
73R85Confident90.9Very high151 Ų15172.3 Ų72.357%0.5735%0.351SS*.G310 helixtrans-89-4.9176.2-50.9-175.6-166.2-175.88112.8D68 S70 W71 E75D68-R73 IonicContact OD1-CZ 2.72Å; D68-R73 IonicContact OD1-NE 2.65Å; D68-R73 IonicContact OD1-NH2 3.42Å; D68-R73 PolarHBondContact OD1-NH2 2.86Å; D68-R73 IonicContact OD2-NH2 3.04Å; D68-R73 PolarHBondContact OD2-NH2 3.01Å; S70-R73 WeakPolarHBondContact O-CA 3.2Å; S70-R73 WeakPolarHBondContact O-CB 3.36Å; S70-R73 PolarHBondContact O-N 2.83Å; W71-R73 PolarHBondContact O-N 2.86Å; R73-E75 PolarHBondContact O-N 2.81Å
74K86.5Confident91.2Very high189 Ų18971 Ų7182%0.82235%0.354SS*.THydrogen-bonded Turntrans57.412.1-177.8-57.2-178.7179.3178.50115.4S70 W71S70-K74 PolarHBondContact O-N 2.79Å; W71-K74 PolarHBondContact O-N 2.69Å; W71-K74 VanDerWaalsContact O-N 3.09Å
75E90.4Very high91.5Very high144 Ų14474.3 Ų74.367%0.67336%0.359SS*.SBendtrans-134.7142.4-178.8-68.4-175.4171.200110.6R73R73-E75 PolarHBondContact O-N 2.81Å
76P94Very high91.8Very high57 Ų5769.7 Ų69.737%0.3734%0.341SS..  trans-65.8152.3172.5-13.226.7000111.3T54 L135T54-P76 HydrophobicContact CG2-CB 3.53Å; T54-P76 HydrophobicContact CG2-CG 4.22Å; P76-L135 HydrophobicContact CB-CD1 3.89Å; P76-L135 HydrophobicContact CG-CD1 3.95Å
77F96.3Very high91.9Very high74 Ų7466.5 Ų66.533%0.32533%0.328SS..EExtended strand (participates in β ladder)trans-92.8132175.3-177.6-118.5000110.8V55 Y57 F79 V86 W90V55-F77 HydrophobicContact CG2-CB 4.37Å; V55-F77 HydrophobicContact CG2-CD1 4.44Å; V55-F77 PolarHBondContact N-O 3.31Å; V55-F77 PolarHBondContact O-N 2.89Å; Y57-F77 HydrophobicContact CD1-CB 4.29Å; Y57-F77 HydrophobicContact CE1-CB 3.87Å; Y57-F77 HydrophobicContact CE1-CD1 4.36Å; Y57-F77 HydrophobicContact CE1-CG 4.25Å; F77-F79 AromaticContact CD1-CD1 3.56Å; F77-F79 HydrophobicContact CD1-CD1 3.56Å; F77-F79 HydrophobicContact CD1-CE1 4.06Å; F77-F79 HydrophobicContact CE1-CB 4.07Å; F77-F79 AromaticContact CE1-CD1 3.42Å; F77-F79 HydrophobicContact CE1-CD1 3.42Å; F77-F79 VanDerWaalsContact CE1-CD1 3.42Å; F77-F79 HydrophobicContact CE1-CE1 4.12Å; F77-F79 AromaticContact CE1-CG 3.99Å; F77-F79 HydrophobicContact CE1-CG 3.99Å; F77-F79 HydrophobicContact CZ-CB 4.24Å; F77-F79 HydrophobicContact CZ-CD1 4.37Å; F77-V86 HydrophobicContact CE1-CG1 3.95Å; F77-V86 HydrophobicContact CZ-CG1 4.42Å; F77-W90 AromaticContact CD1-CZ3 3.86Å; F77-W90 HydrophobicContact CD1-CZ3 3.86Å; F77-W90 HydrophobicContact CE1-CZ3 4.07Å
78C96.1Very high92.1Very high58 Ų5871.8 Ų71.839%0.39235%0.351SS..EExtended strand (participates in β ladder)trans-117.8133.7-180-63.70000111.2V53 T54V53-C78 VanDerWaalsContact O-CA 3.26Å; V53-C78 WeakPolarHBondContact O-CA 3.5Å; T54-C78 PolarHBondContact OG1-SG 3.32Å; T54-C78 VanDerWaalsContact OG1-SG 3.41Å
79F96.7Very high92.5Very high8 Ų870.2 Ų70.24%0.03534%0.343CS..EExtended strand (participates in β ladder)trans-155.1167.6176.765.1-83.4000111.2K52 V53 V55 F77 V81 V86 W90 V94K52-F79 WeakPolarHBondContact CA-O 3.3Å; V53-F79 HydrophobicContact CG2-CD1 3.77Å; V53-F79 HydrophobicContact CG2-CD2 3.93Å; V53-F79 HydrophobicContact CG2-CE1 3.49Å; V53-F79 VanDerWaalsContact CG2-CE1 3.49Å; V53-F79 HydrophobicContact CG2-CE2 3.65Å; V53-F79 HydrophobicContact CG2-CG 3.99Å; V53-F79 HydrophobicContact CG2-CZ 3.43Å; V53-F79 VanDerWaalsContact CG2-CZ 3.43Å; V53-F79 WeakPolarHBondContact CG2-O 3.44Å; V53-F79 PolarHBondContact N-O 2.88Å; V53-F79 PolarHBondContact O-N 2.59Å; V55-F79 HydrophobicContact CG1-CE1 4.45Å; V55-F79 HydrophobicContact CG2-CE1 3.91Å; F77-F79 AromaticContact CD1-CD1 3.56Å; F77-F79 HydrophobicContact CD1-CD1 3.56Å; F77-F79 HydrophobicContact CD1-CE1 4.06Å; F77-F79 HydrophobicContact CE1-CB 4.07Å; F77-F79 AromaticContact CE1-CD1 3.42Å; F77-F79 HydrophobicContact CE1-CD1 3.42Å; F77-F79 VanDerWaalsContact CE1-CD1 3.42Å; F77-F79 HydrophobicContact CE1-CE1 4.12Å; F77-F79 AromaticContact CE1-CG 3.99Å; F77-F79 HydrophobicContact CE1-CG 3.99Å; F77-F79 HydrophobicContact CZ-CB 4.24Å; F77-F79 HydrophobicContact CZ-CD1 4.37Å; F79-V81 HydrophobicContact CE2-CB 4.11Å; F79-V81 HydrophobicContact CE2-CG2 4.22Å; F79-V86 HydrophobicContact CB-CG1 4.16Å; F79-V86 HydrophobicContact CD1-CG1 4.15Å; F79-V86 HydrophobicContact CD2-CB 4.37Å; F79-V86 HydrophobicContact CD2-CG1 3.61Å; F79-V86 HydrophobicContact CD2-CG2 3.8Å; F79-V86 HydrophobicContact CE1-CG1 4.44Å; F79-V86 HydrophobicContact CE2-CB 4.35Å; F79-V86 HydrophobicContact CE2-CG1 3.95Å; F79-V86 HydrophobicContact CE2-CG2 3.48Å; F79-V86 VanDerWaalsContact CE2-CG2 3.48Å; F79-V86 HydrophobicContact CG-CG1 3.72Å; F79-V86 HydrophobicContact CZ-CG1 4.35Å; F79-V86 HydrophobicContact CZ-CG2 4.15Å; F79-W90 AromaticContact CE1-CE3 3.9Å; F79-W90 HydrophobicContact CE1-CE3 3.9Å; F79-W90 HydrophobicContact CE1-CZ3 4.02Å; F79-W90 AromaticContact CZ-CE3 3.91Å; F79-W90 HydrophobicContact CZ-CE3 3.91Å; F79-W90 HydrophobicContact CZ-CZ3 4.48Å; F79-V94 HydrophobicContact CZ-CG2 4.19Å
80N96.6Very high92.8Very high50 Ų5070.4 Ų70.427%0.26734%0.343SS..EExtended strand (participates in β ladder)trans-92.6115173.1-64.890.6000110.2G50 D51 K83G50-N80 PolarHBondContact O-ND2 3.2Å; D51-N80 WeakPolarHBondContact O-CA 3.25Å; N80-K83 HydrophobicContact CB-CB 4.43Å; N80-K83 HydrophobicContact CB-CG 4.07Å
81V97.3Very high93.1Very high0 Ų071.2 Ų71.20%035%0.347CS..THydrogen-bonded Turntrans-74.3142.2-174.871.40000111.8P47 M48 G50 D51 V53 F79 K83 V94 L95P47-V81 HydrophobicContact CB-CG1 4.07Å; M48-V81 VanDerWaalsContact O-CG1 3.25Å; M48-V81 WeakPolarHBondContact O-CG1 3.05Å; G50-V81 PolarHBondContact N-O 3Å; D51-V81 HydrophobicContact CB-CG1 4.33Å; D51-V81 PolarHBondContact O-N 2.76Å; V53-V81 HydrophobicContact CG1-CB 3.93Å; V53-V81 HydrophobicContact CG1-CG1 3.77Å; V53-V81 HydrophobicContact CG2-CB 4.2Å; F79-V81 HydrophobicContact CE2-CB 4.11Å; F79-V81 HydrophobicContact CE2-CG2 4.22Å; V81-K83 VanDerWaalsContact C-N 3.27Å; V81-K83 PolarHBondContact O-N 2.57Å; V81-V94 HydrophobicContact CG2-CB 4.05Å; V81-V94 HydrophobicContact CG2-CG1 4.13Å; V81-L95 HydrophobicContact CG1-CD2 3.8Å; V81-L95 HydrophobicContact CG1-CG 4.45Å; V81-L95 HydrophobicContact CG2-CD2 4.12Å; V81-L95 HydrophobicContact CG2-CG 3.84Å
82G94.1Very high93.8Very high11 Ų1165.9 Ų65.911%0.11333%0.329CS..THydrogen-bonded Turntrans76.410177.600000114.6D91G82-D91 PolarHBondContact N-OD1 2.95Å
83K91.6Very high94.5Very high85 Ų8560 Ų6037%0.3730%0.301SS..THydrogen-bonded Turntrans-102.72.1178.1-65.1-72.9-173.4171.70113N80 V81 Q85N80-K83 HydrophobicContact CB-CB 4.43Å; N80-K83 HydrophobicContact CB-CG 4.07Å; V81-K83 VanDerWaalsContact C-N 3.27Å; V81-K83 PolarHBondContact O-N 2.57Å; K83-Q85 VanDerWaalsContact C-N 3.32Å; K83-Q85 HydrophobicContact CB-CG 4.36Å
84G91.8Very high95.1Very high59 Ų5952.8 Ų52.861%0.60827%0.274SS*.THydrogen-bonded Turntrans72.722.2-179.400000114.1V86 D91G84-V86 VanDerWaalsContact C-N 3.3Å; G84-D91 WeakPolarHBondContact CA-OD2 3.44Å; G84-D91 PolarHBondContact N-OD2 3.49Å
85Q92.3Very high95.6Very high113 Ų11346.2 Ų46.253%0.52825%0.247SC..SBendtrans-78.4-17.4174.9-67.8-178.6-10.400112.7K83K83-Q85 VanDerWaalsContact C-N 3.32Å; K83-Q85 HydrophobicContact CB-CG 4.36Å
86V95.7Very high95.8Very high29 Ų2940.1 Ų40.118%0.17622%0.221CC..SBendtrans-130-179.7-177.3-650000110.1F77 F79 G84 W90 D91F77-V86 HydrophobicContact CE1-CG1 3.95Å; F77-V86 HydrophobicContact CZ-CG1 4.42Å; F79-V86 HydrophobicContact CB-CG1 4.16Å; F79-V86 HydrophobicContact CD1-CG1 4.15Å; F79-V86 HydrophobicContact CD2-CB 4.37Å; F79-V86 HydrophobicContact CD2-CG1 3.61Å; F79-V86 HydrophobicContact CD2-CG2 3.8Å; F79-V86 HydrophobicContact CE1-CG1 4.44Å; F79-V86 HydrophobicContact CE2-CB 4.35Å; F79-V86 HydrophobicContact CE2-CG1 3.95Å; F79-V86 HydrophobicContact CE2-CG2 3.48Å; F79-V86 VanDerWaalsContact CE2-CG2 3.48Å; F79-V86 HydrophobicContact CG-CG1 3.72Å; F79-V86 HydrophobicContact CZ-CG1 4.35Å; F79-V86 HydrophobicContact CZ-CG2 4.15Å; G84-V86 VanDerWaalsContact C-N 3.3Å; V86-W90 HydrophobicContact CB-CB 4.1Å; V86-W90 HydrophobicContact CB-CE3 4.32Å; V86-W90 HydrophobicContact CG1-CE3 4.3Å; V86-W90 HydrophobicContact CG2-CB 3.61Å; V86-D91 WeakPolarHBondContact CG2-OD1 3.4Å
87L96.3Very high96Very high33 Ų3337.4 Ų37.417%0.17320%0.203CC..  trans-53.7144.5175-60.8178.7000111A89 W90 D91 A112 Y113 F130L87-A89 PolarHBondContact O-N 3.42Å; L87-A89 VanDerWaalsContact O-N 3.15Å; L87-W90 HydrophobicContact CB-CB 4.4Å; L87-W90 HydrophobicContact CB-CG 4.28Å; L87-W90 WeakPolarHBondContact O-CA 3.29Å; L87-W90 WeakPolarHBondContact O-CB 3.36Å; L87-W90 PolarHBondContact O-N 3.3Å; L87-D91 PolarHBondContact O-N 3.16Å; L87-D91 VanDerWaalsContact O-N 3.11Å; L87-A112 HydrophobicContact CD1-CB 4.38Å; L87-Y113 HydrophobicContact CD1-CE2 3.77Å; L87-Y113 HydrophobicContact CD2-CD1 4.39Å; L87-Y113 HydrophobicContact CD2-CE1 4.1Å; L87-Y113 HydrophobicContact CD2-CE2 4.39Å; L87-F130 HydrophobicContact CD1-CE2 3.71Å; L87-F130 HydrophobicContact CD1-CZ 3.82Å
88K96.9Very high96Very high136 Ų13635.6 Ų35.659%0.59120%0.196SC*.Hα-helixtrans-54.3-38.6176.5-62.7175.9-173.8166.10111.6W90 D91 I92 D110 Y111K88-W90 VanDerWaalsContact C-N 3.3Å; K88-W90 PolarHBondContact O-N 2.77Å; K88-D91 PolarHBondContact O-N 3.05Å; K88-I92 VanDerWaalsContact O-CG1 3.31Å; K88-I92 WeakPolarHBondContact O-CG1 3.28Å; K88-I92 PolarHBondContact O-N 3.48Å; K88-I92 VanDerWaalsContact O-N 3.1Å; K88-D110 PolarHBondContact NZ-O 3.04Å; K88-Y111 HydrophobicContact CB-CD1 3.98Å; K88-Y111 PolarHBondContact N-O 2.72Å
89A97.3Very high96Very high0 Ų038.4 Ų38.40%020%0.198CC..Hα-helixtrans-62.9-34.5176.400000113.5V33 L87 G93 C107 Y111V33-A89 HydrophobicContact CG1-CB 4.21Å; V33-A89 HydrophobicContact CG2-CB 3.72Å; L87-A89 PolarHBondContact O-N 3.42Å; L87-A89 VanDerWaalsContact O-N 3.15Å; A89-G93 WeakPolarHBondContact O-CA 3.17Å; A89-G93 PolarHBondContact O-N 3.35Å; A89-C107 HydrophobicContact CB-CB 3.66Å; A89-C107 WeakPolarHBondContact CB-SG 3.3Å; A89-Y111 WeakPolarHBondContact CB-O 3.28Å; A89-Y111 PolarHBondContact N-O 2.81Å
90W97.9Very high95.9Very high12 Ų1239.1 Ų39.15%0.04521%0.207CC..Hα-helixtrans-72-44.5177.5-80.441.3000111.4V55 Y57 F77 F79 V86 L87 K88 I92 G93 V94 F130 M132V55-W90 HydrophobicContact CG2-CZ3 4.29Å; Y57-W90 AromaticContact CD1-CH2 3.48Å; Y57-W90 HydrophobicContact CD1-CH2 3.48Å; Y57-W90 VanDerWaalsContact CD1-CH2 3.48Å; Y57-W90 HydrophobicContact CD1-CZ2 4.35Å; Y57-W90 HydrophobicContact CD1-CZ3 4.27Å; Y57-W90 AromaticContact CD2-CH2 3.52Å; Y57-W90 HydrophobicContact CD2-CH2 3.52Å; Y57-W90 AromaticContact CD2-CZ2 3.57Å; Y57-W90 HydrophobicContact CD2-CZ2 3.57Å; Y57-W90 AromaticContact CE1-CH2 3.7Å; Y57-W90 HydrophobicContact CE1-CH2 3.7Å; Y57-W90 HydrophobicContact CE1-CZ3 4.47Å; Y57-W90 AromaticContact CE2-CH2 3.74Å; Y57-W90 HydrophobicContact CE2-CH2 3.74Å; Y57-W90 AromaticContact CE2-CZ2 3.92Å; Y57-W90 HydrophobicContact CE2-CZ2 3.92Å; Y57-W90 AromaticContact CG-CH2 3.38Å; Y57-W90 HydrophobicContact CG-CH2 3.38Å; Y57-W90 AromaticContact CG-CZ2 3.8Å; Y57-W90 HydrophobicContact CG-CZ2 3.8Å; Y57-W90 HydrophobicContact CG-CZ3 4.45Å; Y57-W90 AromaticContact CZ-CH2 3.82Å; F77-W90 AromaticContact CD1-CZ3 3.86Å; F77-W90 HydrophobicContact CD1-CZ3 3.86Å; F77-W90 HydrophobicContact CE1-CZ3 4.07Å; F79-W90 AromaticContact CE1-CE3 3.9Å; F79-W90 HydrophobicContact CE1-CE3 3.9Å; F79-W90 HydrophobicContact CE1-CZ3 4.02Å; F79-W90 AromaticContact CZ-CE3 3.91Å; F79-W90 HydrophobicContact CZ-CE3 3.91Å; F79-W90 HydrophobicContact CZ-CZ3 4.48Å; V86-W90 HydrophobicContact CB-CB 4.1Å; V86-W90 HydrophobicContact CB-CE3 4.32Å; V86-W90 HydrophobicContact CG1-CE3 4.3Å; V86-W90 HydrophobicContact CG2-CB 3.61Å; L87-W90 HydrophobicContact CB-CB 4.4Å; L87-W90 HydrophobicContact CB-CG 4.28Å; L87-W90 WeakPolarHBondContact O-CA 3.29Å; L87-W90 WeakPolarHBondContact O-CB 3.36Å; L87-W90 PolarHBondContact O-N 3.3Å; K88-W90 VanDerWaalsContact C-N 3.3Å; K88-W90 PolarHBondContact O-N 2.77Å; W90-I92 VanDerWaalsContact C-N 3.27Å; W90-I92 PolarHBondContact O-N 2.89Å; W90-G93 PolarHBondContact O-N 2.8Å; W90-V94 WeakPolarHBondContact O-CB 3.42Å; W90-V94 WeakPolarHBondContact O-CG2 3.31Å; W90-V94 PolarHBondContact O-N 2.95Å; W90-F130 AromaticContact CE2-CD1 3.87Å; W90-F130 AromaticContact CE2-CE1 3.91Å; W90-F130 AromaticContact CZ2-CD1 3.55Å; W90-F130 HydrophobicContact CZ2-CD1 3.55Å; W90-F130 AromaticContact CZ2-CE1 3.55Å; W90-F130 HydrophobicContact CZ2-CE1 3.55Å; W90-F130 HydrophobicContact CZ2-CG 4.19Å; W90-F130 HydrophobicContact CZ2-CZ 4.18Å; W90-F130 AromaticContact NE1-CD1 3.6Å; W90-F130 AromaticContact NE1-CD2 3.26Å; W90-F130 VanDerWaalsContact NE1-CD2 3.26Å; W90-F130 AromaticContact NE1-CE1 3.64Å; W90-F130 AromaticContact NE1-CE2 3.29Å; W90-F130 VanDerWaalsContact NE1-CE2 3.29Å; W90-F130 AromaticContact NE1-CG 3.4Å; W90-F130 AromaticContact NE1-CZ 3.48Å; W90-M132 HydrophobicContact CD2-CE 3.68Å; W90-M132 HydrophobicContact CD2-SD 4.17Å; W90-M132 HydrophobicContact CE3-CE 3.5Å; W90-M132 VanDerWaalsContact CE3-CE 3.5Å; W90-M132 HydrophobicContact CG-CE 4.39Å; W90-M132 HydrophobicContact CG-SD 4.45Å; W90-M132 HydrophobicContact CH2-CE 3.93Å; W90-M132 HydrophobicContact CZ2-CE 4.07Å; W90-M132 HydrophobicContact CZ3-CE 3.62Å
91D96.9Very high96Very high19 Ų1937 Ų3710%0.10220%0.196CC..Hα-helixtrans-56.1-45.4175.3-88.7-12.8000110.9G82 G84 V86 L87 K88 L95G82-D91 PolarHBondContact N-OD1 2.95Å; G84-D91 WeakPolarHBondContact CA-OD2 3.44Å; G84-D91 PolarHBondContact N-OD2 3.49Å; V86-D91 WeakPolarHBondContact CG2-OD1 3.4Å; L87-D91 PolarHBondContact O-N 3.16Å; L87-D91 VanDerWaalsContact O-N 3.11Å; K88-D91 PolarHBondContact O-N 3.05Å; D91-L95 VanDerWaalsContact O-CD1 3.26Å; D91-L95 WeakPolarHBondContact O-CD1 3.39Å; D91-L95 WeakPolarHBondContact O-CG 3.44Å; D91-L95 PolarHBondContact O-N 2.85Å
92I96.9Very high96Very high32 Ų3238.5 Ų38.516%0.16421%0.205CC..Hα-helixtrans-70.3-48.1178.5-64.9167.6000111.5V25 K88 W90 Y111V25-I92 HydrophobicContact CB-CG2 4.18Å; V25-I92 HydrophobicContact CG2-CG2 3.86Å; V25-I92 WeakPolarHBondContact O-CG2 3.43Å; K88-I92 VanDerWaalsContact O-CG1 3.31Å; K88-I92 WeakPolarHBondContact O-CG1 3.28Å; K88-I92 PolarHBondContact O-N 3.48Å; K88-I92 VanDerWaalsContact O-N 3.1Å; W90-I92 VanDerWaalsContact C-N 3.27Å; W90-I92 PolarHBondContact O-N 2.89Å; I92-Y111 HydrophobicContact CD1-CD1 3.78Å; I92-Y111 HydrophobicContact CD1-CE1 3.58Å
93G97.3Very high96.1Very high0 Ų038 Ų380%020%0.2CC..Hα-helixtrans-63.9-48.3-174.600000112.3A89 W90 L95 S96A89-G93 WeakPolarHBondContact O-CA 3.17Å; A89-G93 PolarHBondContact O-N 3.35Å; W90-G93 PolarHBondContact O-N 2.8Å; G93-L95 PolarHBondContact O-N 2.86Å; G93-S96 WeakPolarHBondContact O-CB 3.36Å; G93-S96 PolarHBondContact O-N 3.02Å; G93-S96 PolarHBondContact O-OG 2.95Å
94V97.6Very high96.4Very high0 Ų034.1 Ų34.10%018%0.183CC..Hα-helixtrans-68.7-34.1-176.7176.30000112.3P47 V53 F79 V81 W90 S96 M97 M132 L134P47-V94 HydrophobicContact CG-CG1 4.42Å; V53-V94 HydrophobicContact CB-CG1 4.31Å; V53-V94 HydrophobicContact CG1-CG1 4.07Å; V53-V94 HydrophobicContact CG2-CG1 4.19Å; F79-V94 HydrophobicContact CZ-CG2 4.19Å; V81-V94 HydrophobicContact CG2-CB 4.05Å; V81-V94 HydrophobicContact CG2-CG1 4.13Å; W90-V94 WeakPolarHBondContact O-CB 3.42Å; W90-V94 WeakPolarHBondContact O-CG2 3.31Å; W90-V94 PolarHBondContact O-N 2.95Å; V94-S96 PolarHBondContact O-N 3.37Å; V94-S96 VanDerWaalsContact O-N 3.16Å; V94-M97 HydrophobicContact CG2-SD 4.21Å; V94-M97 WeakPolarHBondContact O-CB 3.47Å; V94-M97 PolarHBondContact O-N 2.8Å; V94-M132 HydrophobicContact CG2-CE 3.65Å; V94-M132 HydrophobicContact CG2-SD 4.12Å; V94-L134 HydrophobicContact CG1-CD1 4.36Å
95L96.8Very high96.7Very high50 Ų5031.3 Ų31.326%0.26215%0.154SC..Hα-helixtrans-61.2-21.5171.8-74.2171.7000113.2P47 I49 V81 D91 G93P47-L95 HydrophobicContact CB-CD2 4.48Å; P47-L95 VanDerWaalsContact O-CD2 3.28Å; P47-L95 WeakPolarHBondContact O-CD2 3.28Å; I49-L95 HydrophobicContact CG1-CD1 4.2Å; I49-L95 HydrophobicContact CG1-CD2 4.44Å; V81-L95 HydrophobicContact CG1-CD2 3.8Å; V81-L95 HydrophobicContact CG1-CG 4.45Å; V81-L95 HydrophobicContact CG2-CD2 4.12Å; V81-L95 HydrophobicContact CG2-CG 3.84Å; D91-L95 VanDerWaalsContact O-CD1 3.26Å; D91-L95 WeakPolarHBondContact O-CD1 3.39Å; D91-L95 WeakPolarHBondContact O-CG 3.44Å; D91-L95 PolarHBondContact O-N 2.85Å; G93-L95 PolarHBondContact O-N 2.86Å
96S95.8Very high96.9Very high17 Ų1726 Ų2612%0.11913%0.13CC..THydrogen-bonded Turntrans-88.6-8.6177.183.40000113.9K35 G93 V94K35-S96 VanDerWaalsContact CD-OG 3.28Å; K35-S96 WeakPolarHBondContact CD-OG 3.33Å; K35-S96 WeakPolarHBondContact CE-OG 3.48Å; K35-S96 PolarHBondContact NZ-O 2.84Å; K35-S96 PolarHBondContact NZ-OG 3.45Å; K35-S96 VanDerWaalsContact NZ-OG 3.13Å; G93-S96 WeakPolarHBondContact O-CB 3.36Å; G93-S96 PolarHBondContact O-N 3.02Å; G93-S96 PolarHBondContact O-OG 2.95Å; V94-S96 PolarHBondContact O-N 3.37Å; V94-S96 VanDerWaalsContact O-N 3.16Å
97M97.1Very high97Very high0 Ų024.6 Ų24.60%012%0.121CC..PPolyproline II helixtrans-86.7155.4-174.4-64179.875.800112.2R46 P47 V94 E101 C103 M132 L134R46-M97 WeakPolarHBondContact CB-O 3.35Å; R46-M97 WeakPolarHBondContact CG-O 3.11Å; P47-M97 WeakPolarHBondContact CD-O 3.31Å; V94-M97 HydrophobicContact CG2-SD 4.21Å; V94-M97 WeakPolarHBondContact O-CB 3.47Å; V94-M97 PolarHBondContact O-N 2.8Å; M97-E101 VanDerWaalsContact CA-OE2 3.3Å; M97-E101 WeakPolarHBondContact CA-OE2 3.48Å; M97-E101 HydrophobicContact CB-CB 4.5Å; M97-E101 HydrophobicContact CE-CB 4.15Å; M97-E101 HydrophobicContact CE-CG 4.34Å; M97-E101 VanDerWaalsContact CE-O 3.27Å; M97-E101 WeakPolarHBondContact CE-O 3.4Å; M97-C103 HydrophobicContact CE-CB 4.42Å; M97-C103 VanDerWaalsContact SD-SG 3.7Å; M97-M132 HydrophobicContact CE-CB 4.32Å; M97-M132 HydrophobicContact SD-CB 4.39Å; M97-L134 HydrophobicContact CB-CB 4.26Å; M97-L134 HydrophobicContact CB-CD2 3.71Å; M97-L134 HydrophobicContact CE-CB 3.72Å; M97-L134 HydrophobicContact SD-CB 4.19Å
98Q96.2Very high97Very high35 Ų3525.6 Ų25.616%0.16412%0.124CC..PPolyproline II helixtrans-102158.2165.9-73.1170.7-1500111.5R46 G100 E101R46-Q98 HydrophobicContact CG-CG 4.18Å; Q98-G100 PolarHBondContact O-N 2.88Å; Q98-E101 HydrophobicContact CB-CB 4.47Å; Q98-E101 PolarHBondContact N-OE2 3.04Å; Q98-E101 WeakPolarHBondContact O-CB 3.45Å; Q98-E101 PolarHBondContact O-N 2.94Å
99R96.2Very high96.9Very high118 Ų11820 Ų2045%0.44510%0.102SC..THydrogen-bonded Turntrans-59.1130.9176.2-172.8175.462.3-168.4-2.5110.6G41 L42 E101 L135 F137G41-R99 CarbonylContact C-O 3.58Å; G41-R99 WeakPolarHBondContact CA-O 3.31Å; L42-R99 PolarHBondContact N-O 2.7Å; R99-E101 VanDerWaalsContact C-N 3.27Å; R99-E101 PolarHBondContact O-N 2.84Å; R99-L135 WeakPolarHBondContact CG-O 3.2Å; R99-F137 HydrophobicContact CB-CE1 4.07Å
100G96.1Very high96.8Very high22 Ų2225.5 Ų25.523%0.22713%0.131CC..THydrogen-bonded Turntrans83.2-8-175.700000115.1R39 Q98 L134R39-G100 PolarHBondContact NH2-O 2.85Å; Q98-G100 PolarHBondContact O-N 2.88Å; G100-L134 WeakPolarHBondContact CA-O 3.46Å; G100-L134 PolarHBondContact N-O 3.26Å
101E97.6Very high96.8Very high5 Ų526.1 Ų26.12%0.02313%0.133CC..  trans-64.2137.9179.8-172.3-175.3130.500110.6K35 V37 R39 M97 Q98 R99 E133 L134K35-E101 VanDerWaalsContact CE-OE1 3.31Å; K35-E101 WeakPolarHBondContact CE-OE1 3.3Å; K35-E101 IonicContact NZ-OE1 3.1Å; K35-E101 PolarHBondContact NZ-OE1 2.81Å; K35-E101 IonicContact NZ-OE2 2.7Å; K35-E101 PolarHBondContact NZ-OE2 3.14Å; V37-E101 HydrophobicContact CG1-CG 4.07Å; R39-E101 WeakPolarHBondContact O-CA 3.39Å; R39-E101 WeakPolarHBondContact O-CG 3.35Å; M97-E101 VanDerWaalsContact CA-OE2 3.3Å; M97-E101 WeakPolarHBondContact CA-OE2 3.48Å; M97-E101 HydrophobicContact CB-CB 4.5Å; M97-E101 HydrophobicContact CE-CB 4.15Å; M97-E101 HydrophobicContact CE-CG 4.34Å; M97-E101 VanDerWaalsContact CE-O 3.27Å; M97-E101 WeakPolarHBondContact CE-O 3.4Å; Q98-E101 HydrophobicContact CB-CB 4.47Å; Q98-E101 PolarHBondContact N-OE2 3.04Å; Q98-E101 WeakPolarHBondContact O-CB 3.45Å; Q98-E101 PolarHBondContact O-N 2.94Å; R99-E101 VanDerWaalsContact C-N 3.27Å; R99-E101 PolarHBondContact O-N 2.84Å; E101-E133 WeakPolarHBondContact O-CA 3.3Å; E101-L134 PolarHBondContact O-N 3Å
102V97.8Very high96.7Very high33 Ų3326.1 Ų26.120%0.214%0.136CC..EExtended strand (participates in β ladder)trans-113123.8166.8-175.80000108R38 R39 M132 E133R38-V102 WeakPolarHBondContact CA-O 3.38Å; R38-V102 HydrophobicContact CB-CB 4.4Å; R38-V102 HydrophobicContact CB-CG1 4.21Å; R38-V102 WeakPolarHBondContact CB-O 3.48Å; R38-V102 PolarHBondContact N-O 2.96Å; R39-V102 HydrophobicContact CB-CB 3.88Å; R39-V102 HydrophobicContact CB-CG2 4.06Å; R39-V102 PolarHBondContact N-O 2.84Å; R39-V102 PolarHBondContact O-N 3.13Å; V102-M132 CarbonylContact C-O 3.53Å; V102-M132 VanDerWaalsContact CA-O 3.27Å; V102-M132 WeakPolarHBondContact CA-O 3.11Å; V102-E133 HydrophobicContact CG2-CB 4.02Å; V102-E133 HydrophobicContact CG2-CG 3.86Å
103C97.1Very high96.7Very high0 Ų027.5 Ų27.50%014%0.14CC..EExtended strand (participates in β ladder)trans-133.6159.6177.975.10000112.1K35 V36 M97 E131 M132K35-C103 HydrophobicContact CD-CB 3.95Å; K35-C103 HydrophobicContact CG-CB 3.77Å; V36-C103 CarbonylContact O-C 3.56Å; V36-C103 VanDerWaalsContact O-CA 3.29Å; V36-C103 WeakPolarHBondContact O-CA 3.14Å; V36-C103 WeakPolarHBondContact O-CB 3.44Å; M97-C103 HydrophobicContact CE-CB 4.42Å; M97-C103 VanDerWaalsContact SD-SG 3.7Å; C103-E131 WeakPolarHBondContact O-CA 3.37Å; C103-M132 PolarHBondContact N-O 2.97Å; C103-M132 PolarHBondContact O-N 2.82Å
104T97.4Very high96.6Very high4 Ų428 Ų283%0.02515%0.145CC..EExtended strand (participates in β ladder)trans-107.1125.8166.9-49.20000108.7F18 K35 V36 R38 V129 F130 E131F18-T104 HydrophobicContact CE1-CG2 3.8Å; F18-T104 HydrophobicContact CZ-CG2 3.63Å; K35-T104 WeakPolarHBondContact CA-O 3.48Å; V36-T104 PolarHBondContact N-O 3.1Å; V36-T104 PolarHBondContact O-N 3.05Å; R38-T104 PolarHBondContact NE-OG1 2.9Å; R38-T104 PolarHBondContact NH2-OG1 2.81Å; T104-V129 HydrophobicContact CG2-CG1 3.32Å; T104-F130 CarbonylContact C-O 3.58Å; T104-F130 VanDerWaalsContact CA-O 3.32Å; T104-F130 WeakPolarHBondContact CA-O 3.46Å; T104-E131 HydrophobicContact CG2-CG 4.31Å
105L97.3Very high96.4Very high0 Ų032.3 Ų32.30%017%0.173CC..EExtended strand (participates in β ladder)trans-104125.8174.4-58.6-179000109.8F34 K35 V129 F130 M132F34-L105 CarbonylContact O-C 3.56Å; F34-L105 VanDerWaalsContact O-CA 3.3Å; F34-L105 WeakPolarHBondContact O-CA 3.47Å; K35-L105 HydrophobicContact CB-CD2 3.66Å; K35-L105 HydrophobicContact CD-CD2 4.11Å; K35-L105 HydrophobicContact CG-CD2 3.66Å; L105-V129 CarbonylContact O-C 3.54Å; L105-V129 VanDerWaalsContact O-CA 3.25Å; L105-V129 WeakPolarHBondContact O-CA 3.44Å; L105-F130 HydrophobicContact CB-CB 4.44Å; L105-F130 PolarHBondContact N-O 2.87Å; L105-F130 PolarHBondContact O-N 3.5Å; L105-M132 HydrophobicContact CD1-SD 3.59Å; L105-M132 VanDerWaalsContact CD1-SD 3.59Å; L105-M132 HydrophobicContact CG-SD 4.46Å
106L97.1Very high96.3Very high1 Ų135.6 Ų35.61%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-95.6121.8163.9172.466000108.3F18 V33 F34 L62 V129F18-L106 HydrophobicContact CB-CB 4.32Å; F18-L106 HydrophobicContact CB-CD2 3.76Å; F18-L106 HydrophobicContact CD1-CB 3.51Å; F18-L106 HydrophobicContact CD1-CD2 4.46Å; F18-L106 HydrophobicContact CD2-CB 4.1Å; F18-L106 HydrophobicContact CD2-CD2 3.92Å; F18-L106 HydrophobicContact CE1-CB 3.71Å; F18-L106 HydrophobicContact CE2-CB 4.26Å; F18-L106 HydrophobicContact CG-CB 3.72Å; F18-L106 HydrophobicContact CG-CD2 3.8Å; F18-L106 HydrophobicContact CG-CG 4.38Å; F18-L106 HydrophobicContact CZ-CB 4.08Å; V33-L106 WeakPolarHBondContact CA-O 3.27Å; F34-L106 HydrophobicContact CB-CB 4.33Å; F34-L106 HydrophobicContact CD2-CD2 4.39Å; F34-L106 PolarHBondContact N-O 2.9Å; F34-L106 PolarHBondContact O-N 3.06Å; L62-L106 HydrophobicContact CD2-CD1 3.81Å; L106-V129 HydrophobicContact CD1-CG2 3.83Å
107C96.8Very high96.1Very high0 Ų035.3 Ų35.30%020%0.195CC..EExtended strand (participates in β ladder)trans-118.2115.4-173.3-50.20000109.8A89 A112 S127 V128A89-C107 HydrophobicContact CB-CB 3.66Å; A89-C107 WeakPolarHBondContact CB-SG 3.3Å; C107-A112 HydrophobicContact CB-CB 4.2Å; C107-S127 VanDerWaalsContact O-CA 3.31Å; C107-S127 WeakPolarHBondContact O-CA 3.41Å; C107-V128 HydrophobicContact CB-CG2 3.9Å; C107-V128 PolarHBondContact N-O 2.96Å; C107-V128 PolarHBondContact O-N 2.93Å
108K96Very high95.8Very high54 Ų5438.2 Ų38.224%0.23521%0.211CC..  trans-68.4159.2172.5-74.7-170.8-179.3158.80111.7Q31 G32 D110 Y111 A112Q31-K108 WeakPolarHBondContact O-CD 3.12Å; Q31-K108 WeakPolarHBondContact O-CE 3.38Å; Q31-K108 PolarHBondContact O-NZ 3.23Å; G32-K108 WeakPolarHBondContact O-CB 3.31Å; G32-K108 PolarHBondContact O-N 3.48Å; K108-D110 VanDerWaalsContact C-N 3.32Å; K108-D110 PolarHBondContact O-N 2.61Å; K108-Y111 PolarHBondContact O-N 2.72Å; K108-A112 PolarHBondContact O-N 2.87Å
109P95.7Very high95.3Very high19 Ų1941.1 Ų41.112%0.12323%0.233CC..G310 helixtrans-55.6-41.7-173.5-26.234.2000114.3Y111 A112 Y113 G114 N125P109-Y111 PolarHBondContact O-N 2.76Å; P109-Y111 VanDerWaalsContact O-N 3.09Å; P109-A112 CarbonylContact O-C 3.57Å; P109-A112 PolarHBondContact O-N 3.31Å; P109-Y113 PolarHBondContact O-N 3.06Å; P109-G114 VanDerWaalsContact O-CA 3.29Å; P109-G114 WeakPolarHBondContact O-CA 3.16Å; P109-G114 PolarHBondContact O-N 2.74Å; P109-N125 HydrophobicContact CG-CB 4.39Å; P109-N125 WeakPolarHBondContact CG-O 3.38Å
110D96.3Very high94.8Very high115 Ų11543.4 Ų43.462%0.61525%0.254SS*.G310 helixtrans-62.5-19.7-179.1-64.6-22.4000114K88 K108K88-D110 PolarHBondContact NZ-O 3.04Å; K108-D110 VanDerWaalsContact C-N 3.32Å; K108-D110 PolarHBondContact O-N 2.61Å
111Y96.9Very high94.5Very high24 Ų2447.8 Ų47.89%0.09427%0.266CS..G310 helixtrans-105.3-2.9177-71.8-88.8000113.2T26 R28 D30 V33 K88 A89 I92 K108 P109T26-Y111 HydrophobicContact CG2-CE1 4.27Å; R28-Y111 PolarHBondContact NH2-OH 3.49Å; D30-Y111 PolarHBondContact OD1-OH 3.03Å; D30-Y111 PolarHBondContact OD2-OH 2.73Å; V33-Y111 HydrophobicContact CG2-CD1 3.88Å; V33-Y111 HydrophobicContact CG2-CG 3.85Å; K88-Y111 HydrophobicContact CB-CD1 3.98Å; K88-Y111 PolarHBondContact N-O 2.72Å; A89-Y111 WeakPolarHBondContact CB-O 3.28Å; A89-Y111 PolarHBondContact N-O 2.81Å; I92-Y111 HydrophobicContact CD1-CD1 3.78Å; I92-Y111 HydrophobicContact CD1-CE1 3.58Å; K108-Y111 PolarHBondContact O-N 2.72Å; P109-Y111 PolarHBondContact O-N 2.76Å; P109-Y111 VanDerWaalsContact O-N 3.09Å
112A95.8Very high94.2Very high20 Ų2047.8 Ų47.817%0.16527%0.267CS..THydrogen-bonded Turntrans-124.6-113.6-179.200000110.7L87 C107 K108 P109 V128L87-A112 HydrophobicContact CD1-CB 4.38Å; C107-A112 HydrophobicContact CB-CB 4.2Å; K108-A112 PolarHBondContact O-N 2.87Å; P109-A112 CarbonylContact O-C 3.57Å; P109-A112 PolarHBondContact O-N 3.31Å; A112-V128 HydrophobicContact CB-CG2 3.77Å
113Y95.4Very high94Very high60 Ų6049.3 Ų49.324%0.23528%0.277CS..THydrogen-bonded Turntrans-99.2-0.5-171.4-60.7-85.4000114.5L87 P109 G117 N118 I122 V128L87-Y113 HydrophobicContact CD1-CE2 3.77Å; L87-Y113 HydrophobicContact CD2-CD1 4.39Å; L87-Y113 HydrophobicContact CD2-CE1 4.1Å; L87-Y113 HydrophobicContact CD2-CE2 4.39Å; P109-Y113 PolarHBondContact O-N 3.06Å; Y113-G117 PolarHBondContact O-N 3.4Å; Y113-N118 HydrophobicContact CD1-CB 3.94Å; Y113-N118 HydrophobicContact CE1-CB 4.16Å; Y113-I122 HydrophobicContact CD1-CD1 4.19Å; Y113-I122 HydrophobicContact CD2-CD1 3.45Å; Y113-I122 VanDerWaalsContact CD2-CD1 3.45Å; Y113-I122 HydrophobicContact CD2-CG2 4.02Å; Y113-I122 HydrophobicContact CE1-CD1 3.91Å; Y113-I122 HydrophobicContact CE2-CD1 3.12Å; Y113-I122 HydrophobicContact CG-CD1 3.98Å; Y113-I122 HydrophobicContact CG-CG2 4.33Å; Y113-V128 HydrophobicContact CD2-CG1 4.33Å; Y113-V128 HydrophobicContact CE2-CG1 4.46Å; Y113-V128 HydrophobicContact CE2-CG2 4.38Å
114G94.8Very high93.9Very high11 Ų1153.2 Ų53.211%0.11330%0.303CS..THydrogen-bonded Turntrans56.9-156.3172.700000115.4P109 T116 G117 N125P109-G114 VanDerWaalsContact O-CA 3.29Å; P109-G114 WeakPolarHBondContact O-CA 3.16Å; P109-G114 PolarHBondContact O-N 2.74Å; G114-T116 PolarHBondContact O-N 3.48Å; G114-G117 PolarHBondContact O-N 2.86Å; G114-N125 PolarHBondContact O-N 2.82Å
115P94.8Very high93.8Very high90 Ų9057.7 Ų57.758%0.58433%0.326SS*.THydrogen-bonded Turntrans-65.6-22.1-179.5-2334.3000114.5P124 N125P115-P124 WeakPolarHBondContact O-CB 3.38Å; P115-N125 VanDerWaalsContact CA-OD1 3.26Å; P115-N125 WeakPolarHBondContact CA-OD1 3.22Å
116T93.4Very high93.6Very high119 Ų11958.9 Ų58.973%0.7334%0.335SS*.THydrogen-bonded Turntrans-83.6-30.2-178.7-48.10000112G114G114-T116 PolarHBondContact O-N 3.48Å
117G93Very high93.5Very high11 Ų1159.1 Ų59.111%0.11334%0.337CS..  trans68.7-153.8-172.500000112.1Y113 G114 I122Y113-G117 PolarHBondContact O-N 3.4Å; G114-G117 PolarHBondContact O-N 2.86Å; G117-I122 WeakPolarHBondContact CA-O 3.43Å
118N91.1Very high93.4Very high61 Ų6159.1 Ų59.133%0.32634%0.337SS..BIsolated β-bridgetrans-132112.4169.8-175.8-2.6000107.4Y113 D120 K121 I122Y113-N118 HydrophobicContact CD1-CB 3.94Å; Y113-N118 HydrophobicContact CE1-CB 4.16Å; N118-D120 PolarHBondContact O-N 3.34Å; N118-K121 PolarHBondContact O-N 3.32Å; N118-K121 VanDerWaalsContact O-N 3.13Å; N118-I122 HydrophobicContact CB-CB 3.91Å; N118-I122 HydrophobicContact CB-CD1 4.06Å; N118-I122 HydrophobicContact CB-CG1 4.08Å; N118-I122 PolarHBondContact N-O 2.92Å; N118-I122 PolarHBondContact O-N 2.92Å; N118-I122 VanDerWaalsContact O-O 3.09Å
119P85.5Confident93.4Very high96 Ų9657.3 Ų57.362%0.62333%0.33SS*.THydrogen-bonded Turntrans-43.3136.2-173.8-3135.2000113.2K121P119-K121 PolarHBondContact O-N 3Å
120D84.4Confident93.5Very high166 Ų16656.5 Ų56.589%0.88833%0.325SS*.THydrogen-bonded Turntrans64.9-19.2-179.9-50.6-42.9000117.3N118N118-D120 PolarHBondContact O-N 3.34Å
121K89.9Confident93.6Very high114 Ų11453.4 Ų53.450%0.49631%0.307SS..THydrogen-bonded Turntrans-107.2-42.3-176.3-66.4-172.5-179.4-1740113.6F67 N118 P119F67-K121 HydrophobicContact CB-CB 4.48Å; N118-K121 PolarHBondContact O-N 3.32Å; N118-K121 VanDerWaalsContact O-N 3.13Å; P119-K121 PolarHBondContact O-N 3Å
122I92.9Very high93.6Very high5 Ų552.4 Ų52.43%0.02630%0.303CS..BIsolated β-bridgetrans-135.4113.9-169.6-52.3177.6000108.8L61 F67 Y113 G117 N118 V128L61-I122 HydrophobicContact CD2-CG2 4.14Å; F67-I122 HydrophobicContact CD1-CD1 4.33Å; F67-I122 HydrophobicContact CD1-CG1 4.28Å; F67-I122 HydrophobicContact CD2-CD1 3.84Å; F67-I122 HydrophobicContact CD2-CG1 4.31Å; F67-I122 HydrophobicContact CE1-CD1 4.21Å; F67-I122 HydrophobicContact CE2-CD1 3.75Å; F67-I122 HydrophobicContact CG-CD1 4.15Å; F67-I122 HydrophobicContact CG-CG1 4.16Å; F67-I122 HydrophobicContact CZ-CD1 3.94Å; Y113-I122 HydrophobicContact CD1-CD1 4.19Å; Y113-I122 HydrophobicContact CD2-CD1 3.45Å; Y113-I122 VanDerWaalsContact CD2-CD1 3.45Å; Y113-I122 HydrophobicContact CD2-CG2 4.02Å; Y113-I122 HydrophobicContact CE1-CD1 3.91Å; Y113-I122 HydrophobicContact CE2-CD1 3.12Å; Y113-I122 HydrophobicContact CG-CD1 3.98Å; Y113-I122 HydrophobicContact CG-CG2 4.33Å; G117-I122 WeakPolarHBondContact CA-O 3.43Å; N118-I122 HydrophobicContact CB-CB 3.91Å; N118-I122 HydrophobicContact CB-CD1 4.06Å; N118-I122 HydrophobicContact CB-CG1 4.08Å; N118-I122 PolarHBondContact N-O 2.92Å; N118-I122 PolarHBondContact O-N 2.92Å; N118-I122 VanDerWaalsContact O-O 3.09Å; I122-V128 HydrophobicContact CG2-CG1 4.05Å
123P93.4Very high93.7Very high66 Ų6653.5 Ų53.543%0.42930%0.304SS..  trans-62.9156.8178.3-19.830.6000113S126P123-S126 WeakPolarHBondContact CB-OG 3.5Å; P123-S126 WeakPolarHBondContact CD-OG 3.06Å; P123-S126 VanDerWaalsContact O-CB 3.3Å; P123-S126 WeakPolarHBondContact O-CB 3.34Å; P123-S126 PolarHBondContact O-N 2.89Å; P123-S126 PolarHBondContact O-OG 3.4Å
124P94.6Very high93.8Very high82 Ų8250.7 Ų50.753%0.53229%0.293SS..THydrogen-bonded Turntrans-43.4140.2166-3641.6000113.6P115 S126P115-P124 WeakPolarHBondContact O-CB 3.38Å; P124-S126 PolarHBondContact O-N 2.84Å; P124-S126 VanDerWaalsContact O-N 3.09Å
125N94.1Very high93.8Very high97 Ų9753 Ų5352%0.51930%0.303SS..THydrogen-bonded Turntrans53.131.4174.6-63.4-46.3000114.4P109 G114 P115P109-N125 HydrophobicContact CG-CB 4.39Å; P109-N125 WeakPolarHBondContact CG-O 3.38Å; G114-N125 PolarHBondContact O-N 2.82Å; P115-N125 VanDerWaalsContact CA-OD1 3.26Å; P115-N125 WeakPolarHBondContact CA-OD1 3.22Å
126S93.3Very high93.9Very high25 Ų2551 Ų5118%0.17529%0.287CS..  trans-88.1128.8178.6-64.40000112P123 P124P123-S126 WeakPolarHBondContact CB-OG 3.5Å; P123-S126 WeakPolarHBondContact CD-OG 3.06Å; P123-S126 VanDerWaalsContact O-CB 3.3Å; P123-S126 WeakPolarHBondContact O-CB 3.34Å; P123-S126 PolarHBondContact O-N 2.89Å; P123-S126 PolarHBondContact O-OG 3.4Å; P124-S126 PolarHBondContact O-N 2.84Å; P124-S126 VanDerWaalsContact O-N 3.09Å
127S94.7Very high94.1Very high7 Ų746.8 Ų46.85%0.04926%0.259CS..  trans-69.9140.9160.9-64.60000109.9D11 C107D11-S127 WeakPolarHBondContact OD1-CB 3.34Å; D11-S127 PolarHBondContact OD1-OG 3.41Å; C107-S127 VanDerWaalsContact O-CA 3.31Å; C107-S127 WeakPolarHBondContact O-CA 3.41Å
128V95.4Very high94.2Very high0 Ų051.7 Ų51.70%028%0.279CS..EExtended strand (participates in β ladder)trans-128.3150.9-178.5-62.80000110.3L61 F67 C107 A112 Y113 I122 F130L61-V128 HydrophobicContact CD2-CG1 4.13Å; F67-V128 HydrophobicContact CE1-CB 4.04Å; F67-V128 HydrophobicContact CE1-CG1 3.89Å; F67-V128 HydrophobicContact CZ-CB 4.11Å; F67-V128 HydrophobicContact CZ-CG1 4.14Å; C107-V128 HydrophobicContact CB-CG2 3.9Å; C107-V128 PolarHBondContact N-O 2.96Å; C107-V128 PolarHBondContact O-N 2.93Å; A112-V128 HydrophobicContact CB-CG2 3.77Å; Y113-V128 HydrophobicContact CD2-CG1 4.33Å; Y113-V128 HydrophobicContact CE2-CG1 4.46Å; Y113-V128 HydrophobicContact CE2-CG2 4.38Å; I122-V128 HydrophobicContact CG2-CG1 4.05Å; V128-F130 HydrophobicContact CB-CE2 4.33Å; V128-F130 HydrophobicContact CG2-CD2 4.15Å; V128-F130 HydrophobicContact CG2-CE2 3.52Å; V128-F130 HydrophobicContact CG2-CZ 4.34Å
129V97Very high94.5Very high16 Ų1649.2 Ų49.210%0.09727%0.268CS..EExtended strand (participates in β ladder)trans-114.9131.9178.9176.60000109.2F18 K60 L62 T104 L105 L106F18-V129 HydrophobicContact CZ-CG1 4.29Å; F18-V129 HydrophobicContact CZ-CG2 4.44Å; K60-V129 PolarHBondContact N-O 3.44Å; K60-V129 PolarHBondContact O-N 2.86Å; L62-V129 HydrophobicContact CD2-CG2 3.66Å; T104-V129 HydrophobicContact CG2-CG1 3.32Å; L105-V129 CarbonylContact O-C 3.54Å; L105-V129 VanDerWaalsContact O-CA 3.25Å; L105-V129 WeakPolarHBondContact O-CA 3.44Å; L106-V129 HydrophobicContact CD1-CG2 3.83Å
130F97.4Very high95Very high2 Ų247.1 Ų47.11%0.00925%0.249CC..EExtended strand (participates in β ladder)trans-118.4123.2173.8-71.6-81000110.5Y57 T58 G59 F67 L87 W90 T104 L105 V128 M132Y57-F130 HydrophobicContact CD2-CD1 4.12Å; Y57-F130 HydrophobicContact CD2-CE1 4.28Å; T58-F130 WeakPolarHBondContact O-CA 3.49Å; G59-F130 VanDerWaalsContact CA-CD1 3.49Å; F67-F130 AromaticContact CE2-CE1 3.99Å; F67-F130 HydrophobicContact CE2-CE1 3.99Å; F67-F130 AromaticContact CE2-CZ 3.95Å; F67-F130 HydrophobicContact CE2-CZ 3.95Å; F67-F130 AromaticContact CZ-CE1 3.9Å; F67-F130 HydrophobicContact CZ-CE1 3.9Å; F67-F130 HydrophobicContact CZ-CE2 4.39Å; F67-F130 AromaticContact CZ-CZ 3.67Å; F67-F130 HydrophobicContact CZ-CZ 3.67Å; L87-F130 HydrophobicContact CD1-CE2 3.71Å; L87-F130 HydrophobicContact CD1-CZ 3.82Å; W90-F130 AromaticContact CE2-CD1 3.87Å; W90-F130 AromaticContact CE2-CE1 3.91Å; W90-F130 AromaticContact CZ2-CD1 3.55Å; W90-F130 HydrophobicContact CZ2-CD1 3.55Å; W90-F130 AromaticContact CZ2-CE1 3.55Å; W90-F130 HydrophobicContact CZ2-CE1 3.55Å; W90-F130 HydrophobicContact CZ2-CG 4.19Å; W90-F130 HydrophobicContact CZ2-CZ 4.18Å; W90-F130 AromaticContact NE1-CD1 3.6Å; W90-F130 AromaticContact NE1-CD2 3.26Å; W90-F130 VanDerWaalsContact NE1-CD2 3.26Å; W90-F130 AromaticContact NE1-CE1 3.64Å; W90-F130 AromaticContact NE1-CE2 3.29Å; W90-F130 VanDerWaalsContact NE1-CE2 3.29Å; W90-F130 AromaticContact NE1-CG 3.4Å; W90-F130 AromaticContact NE1-CZ 3.48Å; T104-F130 CarbonylContact C-O 3.58Å; T104-F130 VanDerWaalsContact CA-O 3.32Å; T104-F130 WeakPolarHBondContact CA-O 3.46Å; L105-F130 HydrophobicContact CB-CB 4.44Å; L105-F130 PolarHBondContact N-O 2.87Å; L105-F130 PolarHBondContact O-N 3.5Å; V128-F130 HydrophobicContact CB-CE2 4.33Å; V128-F130 HydrophobicContact CG2-CD2 4.15Å; V128-F130 HydrophobicContact CG2-CE2 3.52Å; V128-F130 HydrophobicContact CG2-CZ 4.34Å; F130-M132 HydrophobicContact CB-CG 4Å; F130-M132 HydrophobicContact CB-SD 4.36Å
131E97.1Very high95.5Very high50 Ų5043.3 Ų43.323%0.23423%0.228CC..EExtended strand (participates in β ladder)trans-86.6124.7160.6-75.3154.3-14900107.6Y57 T58 K60 C103 T104Y57-E131 CarbonylContact C-O 3.55Å; Y57-E131 WeakPolarHBondContact CA-O 3.33Å; Y57-E131 WeakPolarHBondContact CB-O 3.42Å; T58-E131 PolarHBondContact N-O 2.88Å; T58-E131 PolarHBondContact O-N 3.05Å; K60-E131 VanDerWaalsContact NZ-CD 3.3Å; K60-E131 IonicContact NZ-OE1 3.42Å; K60-E131 PolarHBondContact NZ-OE1 2.76Å; K60-E131 IonicContact NZ-OE2 2.94Å; K60-E131 PolarHBondContact NZ-OE2 2.89Å; C103-E131 WeakPolarHBondContact O-CA 3.37Å; T104-E131 HydrophobicContact CG2-CG 4.31Å
132M97.1Very high95.8Very high2 Ų239.5 Ų39.51%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-130.7141-176.2-58.8-170.677.100110.7V55 H56 W90 V94 M97 V102 C103 L105 F130V55-M132 HydrophobicContact CB-CE 4.4Å; V55-M132 HydrophobicContact CG1-CE 4.44Å; V55-M132 HydrophobicContact CG2-CE 4.04Å; H56-M132 CarbonylContact O-C 3.53Å; H56-M132 WeakPolarHBondContact O-CA 3.24Å; W90-M132 HydrophobicContact CD2-CE 3.68Å; W90-M132 HydrophobicContact CD2-SD 4.17Å; W90-M132 HydrophobicContact CE3-CE 3.5Å; W90-M132 VanDerWaalsContact CE3-CE 3.5Å; W90-M132 HydrophobicContact CG-CE 4.39Å; W90-M132 HydrophobicContact CG-SD 4.45Å; W90-M132 HydrophobicContact CH2-CE 3.93Å; W90-M132 HydrophobicContact CZ2-CE 4.07Å; W90-M132 HydrophobicContact CZ3-CE 3.62Å; V94-M132 HydrophobicContact CG2-CE 3.65Å; V94-M132 HydrophobicContact CG2-SD 4.12Å; M97-M132 HydrophobicContact CE-CB 4.32Å; M97-M132 HydrophobicContact SD-CB 4.39Å; V102-M132 CarbonylContact C-O 3.53Å; V102-M132 VanDerWaalsContact CA-O 3.27Å; V102-M132 WeakPolarHBondContact CA-O 3.11Å; C103-M132 PolarHBondContact N-O 2.97Å; C103-M132 PolarHBondContact O-N 2.82Å; L105-M132 HydrophobicContact CD1-SD 3.59Å; L105-M132 VanDerWaalsContact CD1-SD 3.59Å; L105-M132 HydrophobicContact CG-SD 4.46Å; F130-M132 HydrophobicContact CB-CG 4Å; F130-M132 HydrophobicContact CB-SD 4.36Å
133E97.4Very high95.9Very high44 Ų4440.3 Ų40.321%0.20622%0.219CC..EExtended strand (participates in β ladder)trans-120.9119.5170.4-179.9178.9-154.600108.4R39 V55 H56 E101 V102 L135R39-E133 IonicContact CZ-OE1 3.76Å; R39-E133 IonicContact NH2-OE1 2.67Å; R39-E133 PolarHBondContact NH2-OE1 2.64Å; V55-E133 CarbonylContact C-O 3.54Å; V55-E133 WeakPolarHBondContact CA-O 3.49Å; V55-E133 WeakPolarHBondContact CB-O 3.49Å; H56-E133 HydrophobicContact CB-CB 4.32Å; H56-E133 PolarHBondContact N-O 3.49Å; H56-E133 PolarHBondContact O-N 2.83Å; E101-E133 WeakPolarHBondContact O-CA 3.3Å; V102-E133 HydrophobicContact CG2-CB 4.02Å; V102-E133 HydrophobicContact CG2-CG 3.86Å; E133-L135 HydrophobicContact CG-CD2 3.78Å; E133-L135 PolarHBondContact O-N 3.24Å
134L97.8Very high95.9Very high0 Ų042.9 Ų42.90%025%0.245CC..EExtended strand (participates in β ladder)trans-86106.8176.2176.959.8000109.5P47 V53 V55 V94 M97 G100 E101 F137P47-L134 HydrophobicContact CG-CD2 3.58Å; V53-L134 HydrophobicContact CB-CD1 4.19Å; V55-L134 HydrophobicContact CG1-CD1 3.9Å; V94-L134 HydrophobicContact CG1-CD1 4.36Å; M97-L134 HydrophobicContact CB-CB 4.26Å; M97-L134 HydrophobicContact CB-CD2 3.71Å; M97-L134 HydrophobicContact CE-CB 3.72Å; M97-L134 HydrophobicContact SD-CB 4.19Å; G100-L134 WeakPolarHBondContact CA-O 3.46Å; G100-L134 PolarHBondContact N-O 3.26Å; E101-L134 PolarHBondContact O-N 3Å; L134-F137 HydrophobicContact CD2-CD1 4.16Å
135L96.1Very high95.8Very high59 Ų5942.3 Ų42.331%0.30924%0.238SC..EExtended strand (participates in β ladder)trans-80.1-49.1-177-58-179.5000111.9T54 P76 R99 E133T54-L135 HydrophobicContact CG2-CB 4.26Å; T54-L135 HydrophobicContact CG2-CD1 4.1Å; T54-L135 WeakPolarHBondContact O-CB 3.49Å; T54-L135 PolarHBondContact O-N 3.02Å; P76-L135 HydrophobicContact CB-CD1 3.89Å; P76-L135 HydrophobicContact CG-CD1 3.95Å; R99-L135 WeakPolarHBondContact CG-O 3.2Å; E133-L135 HydrophobicContact CG-CD2 3.78Å; E133-L135 PolarHBondContact O-N 3.24Å
136N96.5Very high95.8Very high49 Ų4938.6 Ų38.626%0.26222%0.222SC..EExtended strand (participates in β ladder)trans-156.4162-177.5-165.229.7000111.3T54 E138T54-N136 PolarHBondContact N-O 2.89Å; T54-N136 PolarHBondContact O-N 2.83Å; N136-E138 PolarHBondContact ND2-OE1 3.49Å
137F96.8Very high96Very high30 Ų3037.5 Ų37.513%0.13222%0.215CC..EExtended strand (participates in β ladder)trans-147.4148.3166.662.9-93.5000110.8D45 P47 K52 V53 R99 L134D45-F137 HydrophobicContact CB-CE2 4.44Å; D45-F137 HydrophobicContact CB-CZ 4.04Å; D45-F137 VanDerWaalsContact O-CZ 3.3Å; D45-F137 WeakPolarHBondContact O-CZ 3.39Å; P47-F137 HydrophobicContact CB-CB 4.3Å; P47-F137 HydrophobicContact CB-CD1 4.49Å; P47-F137 HydrophobicContact CB-CG 4.19Å; P47-F137 HydrophobicContact CG-CB 4.12Å; P47-F137 HydrophobicContact CG-CD1 3.7Å; P47-F137 HydrophobicContact CG-CE1 4.24Å; P47-F137 HydrophobicContact CG-CG 3.87Å; K52-F137 CarbonylContact O-C 3.55Å; K52-F137 VanDerWaalsContact O-CA 3.24Å; K52-F137 WeakPolarHBondContact O-CA 3.32Å; V53-F137 HydrophobicContact CG1-CB 3.89Å; R99-F137 HydrophobicContact CB-CE1 4.07Å; L134-F137 HydrophobicContact CD2-CD1 4.16Å
138E95.9Very high96.1Very high114 Ų11437.2 Ų37.253%0.53321%0.213SC..EExtended strand (participates in β ladder)trans-137.8144-178.1-65.6175.6-176.600110.2D51 K52 N136D51-E138 CarbonylContact C-O 3.53Å; D51-E138 VanDerWaalsContact CA-O 3.24Å; D51-E138 WeakPolarHBondContact CA-O 3.4Å; D51-E138 WeakPolarHBondContact CB-O 3.4Å; K52-E138 PolarHBondContact N-O 3.27Å; K52-E138 PolarHBondContact O-N 3.19Å; N136-E138 PolarHBondContact ND2-OE1 3.49Å
139G96.3Very high96.3Very high9 Ų940.3 Ų40.39%0.09323%0.228CC..PPolyproline II helixtrans-65.2160.6176.300000112.8I141G139-I141 PolarHBondContact O-N 3.4Å
140E95.9Very high96.3Very high52 Ų5240 Ų4024%0.24323%0.225CC..EExtended strand (participates in β ladder)trans-73119.8179.3-173.9-173.3179.200110.7L142 M149 R150E140-L142 HydrophobicContact CG-CD2 3.99Å; E140-M149 CarbonylContact O-C 3.45Å; E140-M149 WeakPolarHBondContact O-CA 3.49Å; E140-R150 PolarHBondContact N-O 2.92Å; E140-R150 PolarHBondContact O-N 3.15Å; E140-R150 IonicContact OE1-NH2 3.41Å; E140-R150 PolarHBondContact OE1-NH2 2.88Å; E140-R150 VanDerWaalsContact OE1-NH2 3.11Å; E140-R150 IonicContact OE2-CZ 3.54Å; E140-R150 IonicContact OE2-NE 3.32Å; E140-R150 PolarHBondContact OE2-NE 3.42Å; E140-R150 IonicContact OE2-NH2 3.53Å; E140-R150 PolarHBondContact OE2-NH2 2.81Å
141I96.8Very high96.3Very high87 Ų8740.5 Ų40.545%0.44623%0.227SC..EExtended strand (participates in β ladder)trans-82.7118177.1-60.2-58.8000110G139 T143 M149G139-I141 PolarHBondContact O-N 3.4Å; I141-T143 WeakPolarHBondContact CG2-O 3.32Å; I141-M149 HydrophobicContact CD1-CB 3.87Å; I141-M149 HydrophobicContact CD1-CE 3.88Å; I141-M149 HydrophobicContact CD1-CG 3.96Å
142L96.2Very high96.3Very high33 Ų3338.3 Ų38.317%0.17322%0.217CC..  trans-90.8-15.3-176.7-56.3-171.1000113.8E140 I148 R150 A205 K208 L217E140-L142 HydrophobicContact CG-CD2 3.99Å; L142-I148 HydrophobicContact CB-CB 4.18Å; L142-I148 HydrophobicContact CB-CG2 4.15Å; L142-I148 HydrophobicContact CD1-CG2 3.92Å; L142-I148 HydrophobicContact CG-CG2 4.25Å; L142-I148 PolarHBondContact N-O 3.11Å; L142-R150 HydrophobicContact CD1-CB 3.97Å; L142-R150 HydrophobicContact CD2-CB 4.2Å; L142-R150 HydrophobicContact CG-CB 4.05Å; L142-A205 HydrophobicContact CD1-CB 3.97Å; L142-K208 HydrophobicContact CD1-CB 4.37Å; L142-K208 HydrophobicContact CD1-CG 4.33Å; L142-K208 HydrophobicContact CD2-CB 4.43Å; L142-K208 HydrophobicContact CD2-CG 4.27Å; L142-L217 HydrophobicContact CD1-CD2 4.37Å
143T94.8Very high96.3Very high23 Ų2342.6 Ų42.614%0.14124%0.236CC..SBendtrans-128.1146.2-179.464.10000111.8I141 D145 G146 G147 I148 Y223I141-T143 WeakPolarHBondContact CG2-O 3.32Å; T143-D145 VanDerWaalsContact CB-OD1 3.23Å; T143-D145 WeakPolarHBondContact CB-OD1 3.49Å; T143-D145 PolarHBondContact O-N 3Å; T143-D145 VanDerWaalsContact O-N 3.12Å; T143-D145 PolarHBondContact OG1-OD1 3.09Å; T143-G146 PolarHBondContact O-N 2.77Å; T143-G147 PolarHBondContact OG1-N 2.82Å; T143-I148 HydrophobicContact CG2-CB 4.14Å; T143-I148 HydrophobicContact CG2-CD1 3.64Å; T143-I148 HydrophobicContact CG2-CG1 3.84Å; T143-I148 PolarHBondContact OG1-N 3.41Å; T143-Y223 HydrophobicContact CG2-CE1 4.06Å
144A92Very high96.2Very high120 Ų12044.3 Ų44.399%0.99225%0.249SC*.THydrogen-bonded Turntrans-59.4-27-177.700000113.8G146A144-G146 VanDerWaalsContact C-N 3.3Å
145D92.8Very high96Very high70 Ų7050.3 Ų50.337%0.37428%0.275SS..THydrogen-bonded Turntrans-85.73.1176.160.60.8000113.9T143 G147 K222 Y223T143-D145 VanDerWaalsContact CB-OD1 3.23Å; T143-D145 WeakPolarHBondContact CB-OD1 3.49Å; T143-D145 PolarHBondContact O-N 3Å; T143-D145 VanDerWaalsContact O-N 3.12Å; T143-D145 PolarHBondContact OG1-OD1 3.09Å; D145-G147 PolarHBondContact O-N 3.36Å; D145-G147 PolarHBondContact OD1-N 3.1Å; D145-K222 IonicContact OD2-NZ 3.68Å; D145-K222 PolarHBondContact OD2-NZ 3.32Å; D145-Y223 VanDerWaalsContact CG-OH 3.25Å; D145-Y223 WeakPolarHBondContact OD1-CE2 3.34Å; D145-Y223 PolarHBondContact OD1-OH 2.91Å; D145-Y223 WeakPolarHBondContact OD2-CE2 3.33Å; D145-Y223 PolarHBondContact OD2-OH 3.01Å
146G95.1Very high95.9Very high19 Ų1947.9 Ų47.920%0.19626%0.264CS..SBendtrans6327.6-179.200000113.4T143 A144 K220T143-G146 PolarHBondContact O-N 2.77Å; A144-G146 VanDerWaalsContact C-N 3.3Å; G146-K220 WeakPolarHBondContact O-CE 3.47Å; G146-K220 PolarHBondContact O-NZ 3.37Å
147G96.2Very high95.7Very high2 Ų252.1 Ų52.12%0.02128%0.282CS..  trans-87.2-17.1-175.700000115T143 D145 K220T143-G147 PolarHBondContact OG1-N 2.82Å; D145-G147 PolarHBondContact O-N 3.36Å; D145-G147 PolarHBondContact OD1-N 3.1Å; G147-K220 PolarHBondContact O-N 2.93Å
148I98.3Very high95.4Very high1 Ų152.7 Ų52.71%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-125.8117.6172-51175.5000107.9L142 T143 R204 L217 L219 Y223L142-I148 HydrophobicContact CB-CB 4.18Å; L142-I148 HydrophobicContact CB-CG2 4.15Å; L142-I148 HydrophobicContact CD1-CG2 3.92Å; L142-I148 HydrophobicContact CG-CG2 4.25Å; L142-I148 PolarHBondContact N-O 3.11Å; T143-I148 HydrophobicContact CG2-CB 4.14Å; T143-I148 HydrophobicContact CG2-CD1 3.64Å; T143-I148 HydrophobicContact CG2-CG1 3.84Å; T143-I148 PolarHBondContact OG1-N 3.41Å; I148-R204 HydrophobicContact CD1-CB 3.9Å; I148-L217 HydrophobicContact CG2-CD2 4.38Å; I148-L219 HydrophobicContact CB-CD2 4.39Å; I148-L219 HydrophobicContact CG1-CD2 4.19Å; I148-L219 HydrophobicContact CG2-CD2 3.86Å; I148-Y223 HydrophobicContact CD1-CD1 3.62Å; I148-Y223 HydrophobicContact CD1-CE1 3.99Å; I148-Y223 HydrophobicContact CD1-CG 4.07Å; I148-Y223 HydrophobicContact CG1-CD1 3.71Å; I148-Y223 HydrophobicContact CG1-CD2 4.07Å; I148-Y223 HydrophobicContact CG1-CE1 4.19Å; I148-Y223 HydrophobicContact CG1-CG 3.62Å
149M97.9Very high95.1Very high64 Ų6458.5 Ų58.532%0.31532%0.315SS..EExtended strand (participates in β ladder)trans-113.3133.2170.7-179.3-164.7-6300109.3E140 I141 L217 Y218E140-M149 CarbonylContact O-C 3.45Å; E140-M149 WeakPolarHBondContact O-CA 3.49Å; I141-M149 HydrophobicContact CD1-CB 3.87Å; I141-M149 HydrophobicContact CD1-CE 3.88Å; I141-M149 HydrophobicContact CD1-CG 3.96Å; M149-L217 CarbonylContact O-C 3.57Å; M149-L217 WeakPolarHBondContact O-CA 3.48Å; M149-Y218 PolarHBondContact N-O 3.43Å; M149-Y218 VanDerWaalsContact N-O 3.07Å; M149-Y218 PolarHBondContact O-N 2.97Å; M149-Y218 HydrophobicContact SD-CD2 4.48Å
150R98.1Very high95Very high9 Ų960.9 Ų60.93%0.03433%0.331CS..EExtended strand (participates in β ladder)trans-111.3140.6179.3-179.6176.367.8176-13.6111.4E140 L142 I152 K208 E213 C215 L216 L217E140-R150 PolarHBondContact N-O 2.92Å; E140-R150 PolarHBondContact O-N 3.15Å; E140-R150 IonicContact OE1-NH2 3.41Å; E140-R150 PolarHBondContact OE1-NH2 2.88Å; E140-R150 VanDerWaalsContact OE1-NH2 3.11Å; E140-R150 IonicContact OE2-CZ 3.54Å; E140-R150 IonicContact OE2-NE 3.32Å; E140-R150 PolarHBondContact OE2-NE 3.42Å; E140-R150 IonicContact OE2-NH2 3.53Å; E140-R150 PolarHBondContact OE2-NH2 2.81Å; L142-R150 HydrophobicContact CD1-CB 3.97Å; L142-R150 HydrophobicContact CD2-CB 4.2Å; L142-R150 HydrophobicContact CG-CB 4.05Å; R150-I152 HydrophobicContact CG-CG1 4.14Å; R150-K208 PolarHBondContact NH1-O 3.41Å; R150-E213 IonicContact CZ-OE1 3.01Å; R150-E213 IonicContact NE-OE1 3.74Å; R150-E213 IonicContact NH1-OE1 3.87Å; R150-E213 PolarHBondContact NH1-OE1 3.42Å; R150-E213 IonicContact NH1-OE2 2.9Å; R150-C215 HydrophobicContact CG-CB 3.88Å; R150-L216 CarbonylContact C-O 3.51Å; R150-L216 VanDerWaalsContact CA-O 3.29Å; R150-L216 WeakPolarHBondContact CA-O 3.49Å; R150-L217 HydrophobicContact CB-CD2 3.87Å; R150-L217 HydrophobicContact CG-CD2 3.94Å
151R97.2Very high95Very high13 Ų1360.4 Ų60.45%0.04933%0.33CS..EExtended strand (participates in β ladder)trans-131.3121.8165.6-57-171.572.3-158.4-3.5109.8D45 R46 M48 D51 C215 L216 Y218D45-R151 IonicContact OD2-NH1 3.94Å; D45-R151 PolarHBondContact OD2-NH1 3.02Å; D45-R151 VanDerWaalsContact OD2-NH1 3.1Å; R46-R151 PolarHBondContact O-NH2 3.01Å; M48-R151 HydrophobicContact CB-CB 4.13Å; M48-R151 HydrophobicContact CG-CB 4.44Å; M48-R151 HydrophobicContact SD-CB 3.63Å; D51-R151 IonicContact OD1-NE 3.93Å; D51-R151 PolarHBondContact OD1-NE 3.17Å; D51-R151 IonicContact OD2-CZ 2.69Å; D51-R151 VanDerWaalsContact OD2-CZ 3.32Å; D51-R151 IonicContact OD2-NE 3.87Å; D51-R151 PolarHBondContact OD2-NE 2.92Å; D51-R151 IonicContact OD2-NH2 3.15Å; D51-R151 PolarHBondContact OD2-NH2 3.09Å; R151-C215 CarbonylContact O-C 3.53Å; R151-C215 WeakPolarHBondContact O-CA 3.34Å; R151-C215 WeakPolarHBondContact O-CB 3.29Å; R151-L216 HydrophobicContact CB-CB 4.5Å; R151-L216 PolarHBondContact N-O 2.99Å; R151-L216 PolarHBondContact O-N 3.31Å; R151-Y218 HydrophobicContact CG-CE2 4.07Å
152I97.8Very high95.1Very high4 Ų456.5 Ų56.52%0.02131%0.31CS..EExtended strand (participates in β ladder)trans-90.8119.5-170.6-54.6168.1000110.1I49 R150 V154 E213 C215I49-I152 HydrophobicContact CB-CB 3.97Å; I49-I152 HydrophobicContact CB-CG2 4.23Å; I49-I152 HydrophobicContact CG2-CB 4.31Å; I49-I152 HydrophobicContact CG2-CD1 4.41Å; I49-I152 HydrophobicContact CG2-CG2 4.39Å; I49-I152 PolarHBondContact N-O 2.84Å; I49-I152 VanDerWaalsContact O-CB 3.25Å; I49-I152 WeakPolarHBondContact O-CB 3.25Å; I49-I152 PolarHBondContact O-N 3.22Å; R150-I152 HydrophobicContact CG-CG1 4.14Å; I152-V154 VanDerWaalsContact CG2-O 3.25Å; I152-V154 WeakPolarHBondContact CG2-O 3.3Å; I152-E213 HydrophobicContact CG2-CG 3.96Å; I152-C215 HydrophobicContact CB-CB 4.47Å; I152-C215 HydrophobicContact CG1-CB 4.25Å
153K95.6Very high95.1Very high93 Ų9355.6 Ų55.640%0.40431%0.305SS..EExtended strand (participates in β ladder)trans-83.7-47.5175.9-74.5-177.6163.6-173.40111.7M48 C214 L216 E244M48-K153 HydrophobicContact SD-CG 4.26Å; K153-C214 WeakPolarHBondContact CA-O 3.2Å; K153-C214 WeakPolarHBondContact CB-O 3.46Å; K153-C214 PolarHBondContact N-O 2.79Å; K153-L216 HydrophobicContact CD-CG 4.33Å; K153-L216 HydrophobicContact CG-CG 4.49Å; K153-E244 VanDerWaalsContact CD-OE1 3.28Å; K153-E244 WeakPolarHBondContact CD-OE1 3.41Å; K153-E244 IonicContact NZ-OE1 3.11Å; K153-E244 PolarHBondContact NZ-OE1 3.01Å; K153-E244 IonicContact NZ-OE2 3.28Å; K153-E244 PolarHBondContact NZ-OE2 3.08Å
154V95.9Very high95Very high80 Ų8058 Ų5849%0.48532%0.317SS..EExtended strand (participates in β ladder)trans-124.5124.6179.3-176.60000108I152 G156 E213 C214I152-V154 VanDerWaalsContact CG2-O 3.25Å; I152-V154 WeakPolarHBondContact CG2-O 3.3Å; V154-G156 PolarHBondContact O-N 3.41Å; V154-E213 WeakPolarHBondContact O-CA 3.47Å; V154-C214 HydrophobicContact CB-CB 3.89Å; V154-C214 HydrophobicContact CG2-CB 4.02Å; V154-C214 PolarHBondContact N-O 2.88Å; V154-C214 PolarHBondContact O-N 3.13Å
155K94.4Very high95.1Very high126 Ų12653 Ų5355%0.54828%0.277SS..  trans-67.7131177.5-168.5179.2177.2174.30109.3I49I49-K155 HydrophobicContact CD1-CB 4.09Å
156G94.4Very high95.4Very high7 Ų749.6 Ų49.67%0.07226%0.259CS..  trans-73.8174.7171.300000112.9V154 Q210 R211V154-G156 PolarHBondContact O-N 3.41Å; G156-Q210 PolarHBondContact O-OE1 2.92Å; G156-R211 CarbonylContact C-O 3.58Å; G156-R211 VanDerWaalsContact CA-O 3.28Å; G156-R211 WeakPolarHBondContact CA-O 3.48Å
157E91.3Very high95.5Very high138 Ų13851.8 Ų51.865%0.64527%0.269SS*.BIsolated β-bridgetrans-120.2155.3-178.1-61.8-179.3174.500111R211E157-R211 PolarHBondContact N-O 3.4Å
158G90.4Very high95.6Very high43 Ų4351.7 Ų51.744%0.44327%0.268SS..SBendtrans87.5-178.7-18000000113.8Q210G158-Q210 PolarHBondContact O-NE2 2.96Å; G158-Q210 VanDerWaalsContact O-NE2 3.09Å
159Y88.9Confident95.7Very high236 Ų23654.4 Ų54.493%0.92528%0.282SS*.SBendtrans-113.3-10.2-172.9-57.4-79.2000113.2
160S94.3Very high95.7Very high59 Ų5951.4 Ų51.441%0.41327%0.268SS..  trans-106.3149.8-177570000111.4F250S160-F250 WeakPolarHBondContact O-CZ 3.49Å
161N97.1Very high95.7Very high42 Ų4253.2 Ų53.223%0.22528%0.277CS..  trans-117.3160.2172.4-55-7.3000109D207 F250 R252N161-D207 VanDerWaalsContact CB-O 3.25Å; N161-D207 WeakPolarHBondContact CB-O 3.43Å; N161-D207 PolarHBondContact ND2-O 3.37Å; N161-F250 VanDerWaalsContact C-CE2 3.45Å; N161-R252 PolarHBondContact O-NH1 2.87Å
162P98.1Very high95.8Very high4 Ų452.6 Ų52.63%0.02627%0.274CS..  trans-51.3146.2163.8-23.131.1000111.9A166 V168 V190 M206 D207 M209 L247 F250P162-A166 HydrophobicContact CB-CB 3.99Å; P162-V168 HydrophobicContact CB-CG1 3.87Å; P162-V168 HydrophobicContact CG-CG1 3.83Å; P162-V190 HydrophobicContact CB-CG2 4.22Å; P162-M206 HydrophobicContact CB-CB 4.35Å; P162-M206 VanDerWaalsContact CD-O 3.27Å; P162-M206 WeakPolarHBondContact CD-O 3.26Å; P162-M206 HydrophobicContact CG-CB 4.46Å; P162-M206 WeakPolarHBondContact CG-O 3.25Å; P162-D207 VanDerWaalsContact O-CA 3.3Å; P162-D207 WeakPolarHBondContact O-CA 3.43Å; P162-D207 WeakPolarHBondContact O-CB 3.29Å; P162-M209 VanDerWaalsContact CD-O 3.31Å; P162-M209 WeakPolarHBondContact CD-O 3.19Å; P162-L247 HydrophobicContact CG-CD2 3.77Å; P162-F250 HydrophobicContact CB-CD2 4.23Å; P162-F250 HydrophobicContact CB-CG 4.37Å; P162-F250 HydrophobicContact CG-CB 3.99Å; P162-F250 HydrophobicContact CG-CD1 3.9Å; P162-F250 HydrophobicContact CG-CD2 3.94Å; P162-F250 HydrophobicContact CG-CE1 4.36Å; P162-F250 HydrophobicContact CG-CE2 4.4Å; P162-F250 HydrophobicContact CG-CG 3.69Å
163N96.1Very high95.8Very high15 Ų1554.6 Ų54.68%0.0828%0.283CS..  trans-111.9172.1169.660.7-10.2000110.5G165 A166 R252 A253 E255N163-G165 PolarHBondContact O-N 2.9Å; N163-A166 WeakPolarHBondContact O-CB 3.24Å; N163-A166 PolarHBondContact O-N 3.21Å; N163-A166 WeakPolarHBondContact OD1-CB 3.37Å; N163-R252 WeakPolarHBondContact OD1-CA 3.2Å; N163-R252 WeakPolarHBondContact OD1-CB 3.34Å; N163-A253 PolarHBondContact ND2-O 3.09Å; N163-A253 PolarHBondContact OD1-N 2.73Å; N163-E255 PolarHBondContact ND2-OE1 3.4Å
164D93.9Very high95.9Very high72 Ų7250.2 Ų50.239%0.38526%0.264SS..THydrogen-bonded Turntrans-57128.8174.3-17853.6000110.4A166 R293D164-A166 VanDerWaalsContact C-N 3.33Å; D164-R293 IonicContact OD1-CZ 2.86Å; D164-R293 IonicContact OD1-NH2 3.34Å; D164-R293 PolarHBondContact OD1-NH2 3.06Å; D164-R293 IonicContact OD2-CZ 3.4Å; D164-R293 IonicContact OD2-NE 3.1Å; D164-R293 PolarHBondContact OD2-NE 3.09Å; D164-R293 IonicContact OD2-NH2 3.8Å; D164-R293 PolarHBondContact OD2-NH2 3.46Å
165G94.5Very high96Very high15 Ų1550.7 Ų50.716%0.15526%0.257CS..THydrogen-bonded Turntrans83.8-4.5-173.500000115.6N163 V190N163-G165 PolarHBondContact O-N 2.9Å; G165-V190 WeakPolarHBondContact CA-O 3.4Å; G165-V190 PolarHBondContact N-O 2.74Å
166A97.7Very high96.1Very high0 Ų045.9 Ų45.90%024%0.239CC..  trans-59.1145.9172.700000111.5P162 N163 D164 I189 V190 K251P162-A166 HydrophobicContact CB-CB 3.99Å; N163-A166 WeakPolarHBondContact O-CB 3.24Å; N163-A166 PolarHBondContact O-N 3.21Å; N163-A166 WeakPolarHBondContact OD1-CB 3.37Å; D164-A166 VanDerWaalsContact C-N 3.33Å; A166-I189 CarbonylContact O-C 3.49Å; A166-I189 WeakPolarHBondContact O-CA 3.4Å; A166-V190 HydrophobicContact CB-CG2 4.15Å; A166-V190 PolarHBondContact O-N 2.87Å; A166-K251 CarbonylContact C-O 3.54Å; A166-K251 VanDerWaalsContact CA-O 3.26Å; A166-K251 WeakPolarHBondContact CA-O 3.44Å; A166-K251 WeakPolarHBondContact CB-O 3.3Å
167T98.4Very high96Very high65 Ų6548.6 Ų48.640%0.39927%0.267SS..EExtended strand (participates in β ladder)trans-86.5127.3166.3-52.80000108.6F188 F250 K251T167-F188 WeakPolarHBondContact CA-O 3.3Å; T167-F250 CarbonylContact O-C 3.58Å; T167-F250 WeakPolarHBondContact O-CA 3.25Å; T167-F250 WeakPolarHBondContact O-CB 3.33Å; T167-K251 PolarHBondContact N-O 3.41Å; T167-K251 PolarHBondContact O-N 2.99Å
168V98.6Very high96Very high0 Ų049.8 Ų49.80%028%0.278CS..EExtended strand (participates in β ladder)trans-121.8143.8-179.8-62.90000110.5P162 V170 S187 F188 V190 M206 L247 F250P162-V168 HydrophobicContact CB-CG1 3.87Å; P162-V168 HydrophobicContact CG-CG1 3.83Å; V168-V170 HydrophobicContact CB-CG1 4.34Å; V168-V170 HydrophobicContact CG2-CG1 4.25Å; V168-S187 WeakPolarHBondContact O-CA 3.26Å; V168-F188 HydrophobicContact CG2-CD1 3.68Å; V168-F188 HydrophobicContact CG2-CD2 4.11Å; V168-F188 HydrophobicContact CG2-CE1 3.41Å; V168-F188 VanDerWaalsContact CG2-CE1 3.41Å; V168-F188 HydrophobicContact CG2-CE2 3.87Å; V168-F188 HydrophobicContact CG2-CG 4.02Å; V168-F188 HydrophobicContact CG2-CZ 3.52Å; V168-F188 WeakPolarHBondContact CG2-O 3.34Å; V168-F188 PolarHBondContact N-O 2.93Å; V168-F188 PolarHBondContact O-N 2.86Å; V168-F188 VanDerWaalsContact O-N 3.08Å; V168-V190 HydrophobicContact CG1-CG2 3.65Å; V168-V190 HydrophobicContact CG2-CG2 4.26Å; V168-M206 HydrophobicContact CG2-SD 4.28Å; V168-L247 HydrophobicContact CB-CD1 4.07Å; V168-L247 HydrophobicContact CG1-CD1 4.25Å; V168-F250 HydrophobicContact CB-CB 4.42Å; V168-F250 HydrophobicContact CG1-CB 3.81Å
169D98.6Very high96.3Very high57 Ų5752.6 Ų52.631%0.30528%0.275SS..EExtended strand (participates in β ladder)trans-112.2115.5171.7-60.1-44.7000108.3S187 K248 N249D169-S187 VanDerWaalsContact OD1-CB 3.23Å; D169-S187 WeakPolarHBondContact OD1-CB 3.4Å; D169-S187 PolarHBondContact OD1-OG 3Å; D169-K248 HydrophobicContact CB-CB 4.47Å; D169-K248 WeakPolarHBondContact O-CB 3.36Å; D169-K248 PolarHBondContact O-N 3.18Å; D169-N249 HydrophobicContact CB-CB 4.41Å; D169-N249 PolarHBondContact N-O 3.14Å; D169-N249 PolarHBondContact O-N 2.92Å
170V98.6Very high96.7Very high1 Ų144.8 Ų44.81%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-128.6149-174.4-58.40000112.1V168 L172 D185 V186 F188 M206 V245 T246 L247V168-V170 HydrophobicContact CB-CG1 4.34Å; V168-V170 HydrophobicContact CG2-CG1 4.25Å; V170-L172 HydrophobicContact CB-CD2 4.48Å; V170-L172 HydrophobicContact CB-CG 4.47Å; V170-L172 HydrophobicContact CG2-CD1 3.95Å; V170-L172 HydrophobicContact CG2-CD2 4.02Å; V170-L172 HydrophobicContact CG2-CG 3.71Å; V170-D185 WeakPolarHBondContact O-CA 3.39Å; V170-V186 HydrophobicContact CG2-CG1 3.65Å; V170-V186 WeakPolarHBondContact CG2-O 3.36Å; V170-V186 PolarHBondContact N-O 3.38Å; V170-V186 PolarHBondContact O-N 2.93Å; V170-F188 HydrophobicContact CG1-CE1 4.34Å; V170-F188 HydrophobicContact CG2-CD1 4.24Å; V170-F188 HydrophobicContact CG2-CE1 3.74Å; V170-M206 HydrophobicContact CG1-SD 3.92Å; V170-V245 HydrophobicContact CB-CG1 4.39Å; V170-V245 HydrophobicContact CG1-CG1 4.44Å; V170-T246 CarbonylContact C-O 3.48Å; V170-T246 VanDerWaalsContact CA-O 3.26Å; V170-T246 WeakPolarHBondContact CA-O 3.45Å; V170-L247 HydrophobicContact CG1-CD1 3.88Å
171H98.8Very high96.8Very high48 Ų4843.3 Ų43.322%0.22224%0.235CC..EExtended strand (participates in β ladder)trans-95.9134.9156.9-172.270.3000108.8E173 D185 V245 T246H171-E173 IonicContact NE2-OE1 2.98Å; H171-D185 WeakPolarHBondContact CA-OD1 3.43Å; H171-D185 WeakPolarHBondContact CB-OD1 3.48Å; H171-D185 IonicContact CE1-OD1 2.87Å; H171-D185 IonicContact CG-OD1 3.84Å; H171-D185 IonicContact ND1-OD1 3.19Å; H171-D185 PolarHBondContact ND1-OD1 3.01Å; H171-V245 WeakPolarHBondContact O-CA 3.33Å; H171-T246 PolarHBondContact N-O 3.45Å; H171-T246 PolarHBondContact O-N 2.84Å
172L97.9Very high96.8Very high0 Ų041.7 Ų41.70%023%0.227CC..EExtended strand (participates in β ladder)trans-128.1132.8-179.3-64.5175.4000111V170 C183 R184 V186 I198 V202 Y243 E244 V245V170-L172 HydrophobicContact CB-CD2 4.48Å; V170-L172 HydrophobicContact CB-CG 4.47Å; V170-L172 HydrophobicContact CG2-CD1 3.95Å; V170-L172 HydrophobicContact CG2-CD2 4.02Å; V170-L172 HydrophobicContact CG2-CG 3.71Å; L172-C183 CarbonylContact O-C 3.34Å; L172-C183 WeakPolarHBondContact O-CA 3.3Å; L172-R184 PolarHBondContact N-O 3.37Å; L172-R184 PolarHBondContact O-N 3.29Å; L172-V186 HydrophobicContact CD1-CG1 3.55Å; L172-V186 HydrophobicContact CG-CG1 4.17Å; L172-I198 HydrophobicContact CD1-CD1 3.32Å; L172-I198 HydrophobicContact CD1-CG1 4.43Å; L172-V202 HydrophobicContact CD2-CG1 3.82Å; L172-Y243 HydrophobicContact CB-CD1 4.21Å; L172-Y243 HydrophobicContact CB-CE1 4.21Å; L172-Y243 HydrophobicContact CD2-CD1 4.23Å; L172-E244 WeakPolarHBondContact CA-O 3.36Å; L172-V245 HydrophobicContact CD2-CB 3.94Å; L172-V245 HydrophobicContact CD2-CG1 3.54Å; L172-V245 HydrophobicContact CD2-CG2 3.5Å; L172-V245 VanDerWaalsContact CD2-CG2 3.5Å
173E98.5Very high96.8Very high46 Ų4644.8 Ų44.822%0.21525%0.248CC..EExtended strand (participates in β ladder)trans-121117.7162-64.3-171.2-161.800110.1H171 R175 L180 D182 C183 Y243 E244H171-E173 IonicContact NE2-OE1 2.98Å; E173-R175 IonicContact OE2-CZ 3.89Å; E173-R175 IonicContact OE2-NE 3.18Å; E173-R175 IonicContact OE2-NH2 2.98Å; E173-R175 PolarHBondContact OE2-NH2 3.06Å; E173-L180 HydrophobicContact CB-CD1 3.94Å; E173-L180 HydrophobicContact CG-CD1 4.43Å; E173-D182 CarbonylContact C-O 3.55Å; E173-D182 VanDerWaalsContact CA-O 3.29Å; E173-D182 WeakPolarHBondContact CA-O 3.19Å; E173-C183 HydrophobicContact CG-CB 4.48Å; E173-Y243 CarbonylContact O-C 3.49Å; E173-Y243 VanDerWaalsContact O-CA 3.24Å; E173-Y243 WeakPolarHBondContact O-CA 3.48Å; E173-E244 HydrophobicContact CB-CB 4.23Å; E173-E244 PolarHBondContact N-O 3.47Å; E173-E244 PolarHBondContact O-N 3.23Å
174G98.2Very high96.9Very high0 Ų047.9 Ų47.90%026%0.258CS..EExtended strand (participates in β ladder)trans-102.5127.5178.200000111.9F181 D182G174-F181 VanDerWaalsContact C-CE1 3.48Å; G174-F181 WeakPolarHBondContact O-CD1 3.24Å; G174-F181 PolarHBondContact O-N 3.33Å; G174-D182 PolarHBondContact N-O 3.46Å; G174-D182 PolarHBondContact O-N 3.28Å
175R98.3Very high97.2Very high91 Ų9149 Ų4934%0.34327%0.265SS..EExtended strand (participates in β ladder)trans-125.7143.2179.2-63179-174.7-93.6-6.1111.7E173 R179 L180 I241 V242E173-R175 IonicContact OE2-CZ 3.89Å; E173-R175 IonicContact OE2-NE 3.18Å; E173-R175 IonicContact OE2-NH2 2.98Å; E173-R175 PolarHBondContact OE2-NH2 3.06Å; R175-R179 VanDerWaalsContact CA-O 3.3Å; R175-R179 WeakPolarHBondContact CA-O 3.26Å; R175-L180 HydrophobicContact CG-CD1 3.95Å; R175-I241 WeakPolarHBondContact O-CA 3.29Å; R175-V242 PolarHBondContact N-O 2.9Å; R175-V242 PolarHBondContact O-N 2.56Å
176C96.6Very high97.4Very high25 Ų2549.1 Ų49.117%0.16926%0.262CS..EExtended strand (participates in β ladder)trans-126.1107.6170.9-174.80000107.9R179 F181 V235 I241C176-R179 PolarHBondContact N-O 2.98Å; C176-R179 PolarHBondContact O-N 3.09Å; C176-F181 HydrophobicContact CB-CD1 3.98Å; C176-F181 HydrophobicContact CB-CE1 3.94Å; C176-V235 HydrophobicContact CB-CG2 4.14Å; C176-I241 HydrophobicContact CB-CG2 4.14Å
177G92.3Very high97.4Very high64 Ų6452.1 Ų52.166%0.6628%0.283SS*.THydrogen-bonded Turntrans58.6-136.1-157.300000110R179G177-R179 VanDerWaalsContact C-N 3.3Å; G177-R179 PolarHBondContact O-N 3.38Å
178D90.7Very high97.4Very high162 Ų16249.4 Ų49.487%0.86627%0.266SS*.THydrogen-bonded Turntrans-81.6-8.2-180-58.1-46.6000114
179R96.3Very high97.3Very high102 Ų10252.5 Ų52.539%0.38528%0.281SS..EExtended strand (participates in β ladder)trans-86.5117.7-173.4-174176.963.382.2-0.8111.6R175 C176 G177 Y233 K234R175-R179 VanDerWaalsContact CA-O 3.3Å; R175-R179 WeakPolarHBondContact CA-O 3.26Å; C176-R179 PolarHBondContact N-O 2.98Å; C176-R179 PolarHBondContact O-N 3.09Å; G177-R179 VanDerWaalsContact C-N 3.3Å; G177-R179 PolarHBondContact O-N 3.38Å; R179-Y233 VanDerWaalsContact CZ-O 3.31Å; R179-Y233 PolarHBondContact NH1-O 3.42Å; R179-Y233 PolarHBondContact NH2-O 2.98Å; R179-K234 PolarHBondContact NH2-O 3.13Å
180L97.6Very high97.3Very high73 Ų7350.2 Ų50.238%0.38227%0.27SS..EExtended strand (participates in β ladder)trans-68.8131.1166.7-172.270.3000110.2E173 R175 D182 C183E173-L180 HydrophobicContact CB-CD1 3.94Å; E173-L180 HydrophobicContact CG-CD1 4.43Å; R175-L180 HydrophobicContact CG-CD1 3.95Å; L180-D182 WeakPolarHBondContact CD1-O 3.26Å; L180-C183 HydrophobicContact CD2-CB 4.17Å
181F96.9Very high97.1Very high27 Ų2750.3 Ų50.312%0.11827%0.271CS..EExtended strand (participates in β ladder)trans-129.9-17.9179.468.5-107.8000114.2G174 C176 F225 Y233 V235 I241 Y243G174-F181 VanDerWaalsContact C-CE1 3.48Å; G174-F181 WeakPolarHBondContact O-CD1 3.24Å; G174-F181 PolarHBondContact O-N 3.33Å; C176-F181 HydrophobicContact CB-CD1 3.98Å; C176-F181 HydrophobicContact CB-CE1 3.94Å; F181-F225 AromaticContact CE2-CE2 3.84Å; F181-F225 HydrophobicContact CE2-CE2 3.84Å; F181-F225 AromaticContact CE2-CZ 3.94Å; F181-F225 HydrophobicContact CE2-CZ 3.94Å; F181-F225 AromaticContact CZ-CE2 3.75Å; F181-F225 HydrophobicContact CZ-CE2 3.75Å; F181-F225 HydrophobicContact CZ-CZ 4.2Å; F181-Y233 HydrophobicContact CB-CG 4.48Å; F181-Y233 HydrophobicContact CD2-CD1 4.24Å; F181-Y233 AromaticContact CD2-CD2 3.41Å; F181-Y233 HydrophobicContact CD2-CD2 3.41Å; F181-Y233 VanDerWaalsContact CD2-CD2 3.41Å; F181-Y233 HydrophobicContact CD2-CE2 4.05Å; F181-Y233 AromaticContact CD2-CG 3.52Å; F181-Y233 HydrophobicContact CD2-CG 3.52Å; F181-Y233 AromaticContact CE2-CD2 3.56Å; F181-Y233 HydrophobicContact CE2-CD2 3.56Å; F181-Y233 HydrophobicContact CE2-CE2 4.04Å; F181-Y233 HydrophobicContact CE2-CG 4.16Å; F181-Y233 HydrophobicContact CG-CG 4.31Å; F181-V235 HydrophobicContact CD1-CG2 3.89Å; F181-V235 HydrophobicContact CE1-CG2 3.99Å; F181-V235 HydrophobicContact CG-CG2 4.21Å; F181-V235 HydrophobicContact CZ-CG2 4.44Å; F181-I241 HydrophobicContact CE1-CB 4.38Å; F181-I241 HydrophobicContact CE1-CG2 4.14Å; F181-I241 HydrophobicContact CZ-CB 4.44Å; F181-I241 HydrophobicContact CZ-CD1 4.49Å; F181-I241 HydrophobicContact CZ-CG2 4.37Å; F181-Y243 HydrophobicContact CE2-CE2 4.21Å; F181-Y243 AromaticContact CE2-CZ 3.95Å; F181-Y243 WeakPolarHBondContact CE2-OH 3.4Å; F181-Y243 AromaticContact CZ-CE2 3.79Å; F181-Y243 HydrophobicContact CZ-CE2 3.79Å; F181-Y243 AromaticContact CZ-CZ 3.99Å
182D97.3Very high97Very high9 Ų949.7 Ų49.75%0.04827%0.268CS..EExtended strand (participates in β ladder)trans-137.7136.5176.1-164.11.5000107.9E173 G174 L180 R184 Y243E173-D182 CarbonylContact C-O 3.55Å; E173-D182 VanDerWaalsContact CA-O 3.29Å; E173-D182 WeakPolarHBondContact CA-O 3.19Å; G174-D182 PolarHBondContact N-O 3.46Å; G174-D182 PolarHBondContact O-N 3.28Å; L180-D182 WeakPolarHBondContact CD1-O 3.26Å; D182-R184 WeakPolarHBondContact OD1-CD 3.4Å; D182-R184 WeakPolarHBondContact OD1-CG 3.46Å; D182-R184 IonicContact OD1-CZ 2.79Å; D182-R184 IonicContact OD1-NE 3Å; D182-R184 PolarHBondContact OD1-NE 3.36Å; D182-R184 IonicContact OD2-CZ 2.75Å; D182-R184 IonicContact OD2-NE 3.51Å; D182-R184 PolarHBondContact OD2-NE 3.19Å; D182-R184 IonicContact OD2-NH2 3.83Å; D182-R184 PolarHBondContact OD2-NH2 3.45Å; D182-Y243 HydrophobicContact CB-CE1 4.42Å; D182-Y243 PolarHBondContact OD2-OH 3.48Å
183C98Very high96.9Very high69 Ų6949.7 Ų49.747%0.46627%0.268SS..EExtended strand (participates in β ladder)trans-158.9101.2177.2-177.90000108.5L172 E173 L180L172-C183 CarbonylContact O-C 3.34Å; L172-C183 WeakPolarHBondContact O-CA 3.3Å; E173-C183 HydrophobicContact CG-CB 4.48Å; L180-C183 HydrophobicContact CD2-CB 4.17Å
184R98.3Very high96.6Very high80 Ų8049.5 Ų49.530%0.30227%0.267SS..EExtended strand (participates in β ladder)trans-164.3158.2-175.857.9-172.7165.5146.211.4112.7L172 D182 K196 Y233L172-R184 PolarHBondContact N-O 3.37Å; L172-R184 PolarHBondContact O-N 3.29Å; D182-R184 WeakPolarHBondContact OD1-CD 3.4Å; D182-R184 WeakPolarHBondContact OD1-CG 3.46Å; D182-R184 IonicContact OD1-CZ 2.79Å; D182-R184 IonicContact OD1-NE 3Å; D182-R184 PolarHBondContact OD1-NE 3.36Å; D182-R184 IonicContact OD2-CZ 2.75Å; D182-R184 IonicContact OD2-NE 3.51Å; D182-R184 PolarHBondContact OD2-NE 3.19Å; D182-R184 IonicContact OD2-NH2 3.83Å; D182-R184 PolarHBondContact OD2-NH2 3.45Å; R184-K196 PolarHBondContact NH1-O 3.3Å; R184-K196 PolarHBondContact NH2-O 2.93Å; R184-Y233 PolarHBondContact NH2-OH 3.36Å
185D98.6Very high96.4Very high96 Ų9653 Ų5351%0.51329%0.286SS..EExtended strand (participates in β ladder)trans-85.2136.6160.8-69.8-27.5000110V170 H171 K248V170-D185 WeakPolarHBondContact O-CA 3.39Å; H171-D185 WeakPolarHBondContact CA-OD1 3.43Å; H171-D185 WeakPolarHBondContact CB-OD1 3.48Å; H171-D185 IonicContact CE1-OD1 2.87Å; H171-D185 IonicContact CG-OD1 3.84Å; H171-D185 IonicContact ND1-OD1 3.19Å; H171-D185 PolarHBondContact ND1-OD1 3.01Å; D185-K248 WeakPolarHBondContact OD1-CE 3.5Å; D185-K248 IonicContact OD1-NZ 3.2Å; D185-K248 PolarHBondContact OD1-NZ 3.13Å; D185-K248 IonicContact OD2-NZ 2.81Å; D185-K248 PolarHBondContact OD2-NZ 3.44Å
186V98.4Very high96.3Very high17 Ų1754 Ų5410%0.10329%0.293CS..EExtended strand (participates in β ladder)trans-151.3137.6-178.558.70000111.1V170 L172 K196 I198V170-V186 HydrophobicContact CG2-CG1 3.65Å; V170-V186 WeakPolarHBondContact CG2-O 3.36Å; V170-V186 PolarHBondContact N-O 3.38Å; V170-V186 PolarHBondContact O-N 2.93Å; L172-V186 HydrophobicContact CD1-CG1 3.55Å; L172-V186 HydrophobicContact CG-CG1 4.17Å; V186-K196 HydrophobicContact CG2-CB 3.92Å; V186-K196 HydrophobicContact CG2-CG 4.18Å; V186-I198 HydrophobicContact CG1-CD1 3.95Å
187S98.5Very high96.2Very high63 Ų6353.8 Ų53.844%0.44129%0.294SS..EExtended strand (participates in β ladder)trans-105.8133.1171-50.30000110V168 D169V168-S187 WeakPolarHBondContact O-CA 3.26Å; D169-S187 VanDerWaalsContact OD1-CB 3.23Å; D169-S187 WeakPolarHBondContact OD1-CB 3.4Å; D169-S187 PolarHBondContact OD1-OG 3Å
188F98.2Very high96.3Very high7 Ų750.8 Ų50.83%0.03126%0.263CS..EExtended strand (participates in β ladder)trans-149.6170178.671.5-84.7000112.2T167 V168 V170 G193 K196 I198 D203 M206T167-F188 WeakPolarHBondContact CA-O 3.3Å; V168-F188 HydrophobicContact CG2-CD1 3.68Å; V168-F188 HydrophobicContact CG2-CD2 4.11Å; V168-F188 HydrophobicContact CG2-CE1 3.41Å; V168-F188 VanDerWaalsContact CG2-CE1 3.41Å; V168-F188 HydrophobicContact CG2-CE2 3.87Å; V168-F188 HydrophobicContact CG2-CG 4.02Å; V168-F188 HydrophobicContact CG2-CZ 3.52Å; V168-F188 WeakPolarHBondContact CG2-O 3.34Å; V168-F188 PolarHBondContact N-O 2.93Å; V168-F188 PolarHBondContact O-N 2.86Å; V168-F188 VanDerWaalsContact O-N 3.08Å; V170-F188 HydrophobicContact CG1-CE1 4.34Å; V170-F188 HydrophobicContact CG2-CD1 4.24Å; V170-F188 HydrophobicContact CG2-CE1 3.74Å; F188-G193 VanDerWaalsContact CD2-CA 3.4Å; F188-K196 HydrophobicContact CB-CB 4.46Å; F188-K196 HydrophobicContact CB-CG 3.9Å; F188-I198 HydrophobicContact CD1-CG1 4.07Å; F188-I198 HydrophobicContact CE1-CG1 4.21Å; F188-I198 HydrophobicContact CE1-CG2 4.46Å; F188-I198 HydrophobicContact CG-CG1 4.31Å; F188-I198 HydrophobicContact CZ-CG2 4.22Å; F188-D203 HydrophobicContact CE2-CB 4.32Å; F188-M206 HydrophobicContact CE2-CG 4.41Å; F188-M206 HydrophobicContact CZ-CG 3.88Å; F188-M206 HydrophobicContact CZ-SD 4.11Å
189I97.8Very high96.6Very high65 Ų6543.1 Ų43.133%0.33322%0.222SC..EExtended strand (participates in β ladder)trans-97.6126.2176.4-64.7172.6000108.4A166 G191 Q192 G193A166-I189 CarbonylContact O-C 3.49Å; A166-I189 WeakPolarHBondContact O-CA 3.4Å; I189-G191 PolarHBondContact O-N 3.25Å; I189-Q192 HydrophobicContact CB-CB 4.25Å; I189-Q192 HydrophobicContact CG2-CG 4.37Å; I189-Q192 CarbonylContact O-C 3.53Å; I189-Q192 WeakPolarHBondContact O-CA 3.36Å; I189-Q192 WeakPolarHBondContact O-CB 3.46Å; I189-Q192 PolarHBondContact O-N 3.32Å; I189-G193 PolarHBondContact O-N 2.99Å
190V97.6Very high96.5Very high10 Ų1038.8 Ų38.86%0.06121%0.207CC..THydrogen-bonded Turntrans-57.6130.5176.9-179.90000109.9P162 G165 A166 V168 Q192 D203 M206 R293P162-V190 HydrophobicContact CB-CG2 4.22Å; G165-V190 WeakPolarHBondContact CA-O 3.4Å; G165-V190 PolarHBondContact N-O 2.74Å; A166-V190 HydrophobicContact CB-CG2 4.15Å; A166-V190 PolarHBondContact O-N 2.87Å; V168-V190 HydrophobicContact CG1-CG2 3.65Å; V168-V190 HydrophobicContact CG2-CG2 4.26Å; V190-Q192 VanDerWaalsContact C-N 3.35Å; V190-D203 VanDerWaalsContact CA-OD1 3.26Å; V190-D203 WeakPolarHBondContact CA-OD1 3.38Å; V190-M206 HydrophobicContact CG1-CB 4.41Å; V190-M206 HydrophobicContact CG2-CB 3.88Å; V190-M206 HydrophobicContact CG2-CG 4.15Å; V190-R293 PolarHBondContact O-NH2 3.31Å
191G94.7Very high96.5Very high3 Ų335.3 Ų35.33%0.03119%0.189CC..THydrogen-bonded Turntrans87.2-0.9-171.500000114.5I189 D203 Q290I189-G191 PolarHBondContact O-N 3.25Å; G191-D203 VanDerWaalsContact CA-OD2 3.29Å; G191-D203 WeakPolarHBondContact CA-OD2 3.49Å; G191-D203 VanDerWaalsContact N-CG 3.3Å; G191-D203 PolarHBondContact N-OD1 2.78Å; G191-D203 PolarHBondContact N-OD2 2.99Å; G191-Q290 PolarHBondContact O-NE2 2.93Å
192Q96Very high96.6Very high34 Ų3434 Ų3416%0.15918%0.183CC..  trans-134.418.6178.2-57.1-178.17.500112.3I189 V190 E194 D195 D203I189-Q192 HydrophobicContact CB-CB 4.25Å; I189-Q192 HydrophobicContact CG2-CG 4.37Å; I189-Q192 CarbonylContact O-C 3.53Å; I189-Q192 WeakPolarHBondContact O-CA 3.36Å; I189-Q192 WeakPolarHBondContact O-CB 3.46Å; I189-Q192 PolarHBondContact O-N 3.32Å; V190-Q192 VanDerWaalsContact C-N 3.35Å; Q192-E194 PolarHBondContact O-N 3.38Å; Q192-E194 VanDerWaalsContact O-N 3.12Å; Q192-D195 WeakPolarHBondContact O-CB 3.42Å; Q192-D195 PolarHBondContact O-N 3.3Å; Q192-D195 VanDerWaalsContact O-N 3.14Å; Q192-D203 PolarHBondContact N-OD2 2.87Å
193G95.5Very high96.6Very high0 Ų034 Ų340%018%0.183CC..G310 helixtrans-60-26.8-178.200000113.7F188 I189 D195 K196 G197 I198 D203F188-G193 VanDerWaalsContact CD2-CA 3.4Å; I189-G193 PolarHBondContact O-N 2.99Å; G193-D195 PolarHBondContact O-N 3.25Å; G193-D195 VanDerWaalsContact O-N 3.14Å; G193-K196 CarbonylContact O-C 3.54Å; G193-K196 WeakPolarHBondContact O-CA 3.23Å; G193-K196 PolarHBondContact O-N 3.3Å; G193-G197 PolarHBondContact O-N 3.15Å; G193-I198 VanDerWaalsContact O-CB 3.29Å; G193-I198 WeakPolarHBondContact O-CB 3.08Å; G193-I198 WeakPolarHBondContact O-CG1 3.22Å; G193-I198 PolarHBondContact O-N 2.8Å; G193-D203 PolarHBondContact N-OD2 3.4Å
194E93.6Very high96.5Very high43 Ų4335.5 Ų35.520%0.20118%0.179CC..G310 helixtrans-55.1-29.5176.3-178.661-144.400113.8Q192 K196 G197 Y278 R283 Q286Q192-E194 PolarHBondContact O-N 3.38Å; Q192-E194 VanDerWaalsContact O-N 3.12Å; E194-K196 PolarHBondContact O-N 2.89Å; E194-G197 PolarHBondContact O-N 2.97Å; E194-G197 VanDerWaalsContact O-N 3.13Å; E194-Y278 HydrophobicContact CG-CE1 4.42Å; E194-R283 PolarHBondContact O-NH1 2.89Å; E194-R283 IonicContact OE1-CZ 2.61Å; E194-R283 IonicContact OE1-NE 2.76Å; E194-R283 PolarHBondContact OE1-NE 3.21Å; E194-R283 IonicContact OE1-NH1 2.72Å; E194-R283 PolarHBondContact OE1-NH1 3.29Å; E194-R283 IonicContact OE1-NH2 2.74Å; E194-R283 PolarHBondContact OE1-NH2 3.42Å; E194-Q286 HydrophobicContact CB-CG 3.72Å; E194-Q286 HydrophobicContact CG-CG 3.86Å; E194-Q286 PolarHBondContact OE2-NE2 2.79Å
195D94.2Very high96.5Very high73 Ų7331.7 Ų31.739%0.3916%0.164SC..G310 helixtrans-64.8-24.4174.3-73.1-28.1000112.8Q192 G193 K274 Y278Q192-D195 WeakPolarHBondContact O-CB 3.42Å; Q192-D195 PolarHBondContact O-N 3.3Å; Q192-D195 VanDerWaalsContact O-N 3.14Å; G193-D195 PolarHBondContact O-N 3.25Å; G193-D195 VanDerWaalsContact O-N 3.14Å; D195-K274 IonicContact OD1-NZ 2.87Å; D195-K274 PolarHBondContact OD1-NZ 2.81Å; D195-K274 WeakPolarHBondContact OD2-CE 3.28Å; D195-K274 IonicContact OD2-NZ 3.93Å; D195-K274 PolarHBondContact OD2-NZ 2.9Å; D195-Y278 PolarHBondContact OD1-OH 2.95Å; D195-Y278 VanDerWaalsContact OD1-OH 3.13Å; D195-Y278 PolarHBondContact OD2-OH 2.88Å
196K95.6Very high96.5Very high113 Ų11327.1 Ų27.149%0.49114%0.14SC..G310 helixtrans-103.48.2177.4-58.1-60.1-171.9176.50112.2R184 V186 F188 G193 E194 I198R184-K196 PolarHBondContact NH1-O 3.3Å; R184-K196 PolarHBondContact NH2-O 2.93Å; V186-K196 HydrophobicContact CG2-CB 3.92Å; V186-K196 HydrophobicContact CG2-CG 4.18Å; F188-K196 HydrophobicContact CB-CB 4.46Å; F188-K196 HydrophobicContact CB-CG 3.9Å; G193-K196 CarbonylContact O-C 3.54Å; G193-K196 WeakPolarHBondContact O-CA 3.23Å; G193-K196 PolarHBondContact O-N 3.3Å; E194-K196 PolarHBondContact O-N 2.89Å; K196-I198 VanDerWaalsContact C-N 3.32Å; K196-I198 HydrophobicContact CB-CD1 4.45Å; K196-I198 HydrophobicContact CB-CG1 4.09Å
197G93.6Very high96.3Very high19 Ų1929.3 Ų29.320%0.19615%0.151CC..THydrogen-bonded Turntrans71.725.6-176.300000113.4G193 E194G193-G197 PolarHBondContact O-N 3.15Å; E194-G197 PolarHBondContact O-N 2.97Å; E194-G197 VanDerWaalsContact O-N 3.13Å
198I95.9Very high96.2Very high1 Ų130.5 Ų30.51%0.00515%0.148CC..  trans-82.1128.4175.6-53.1-46.9000109.1L172 V186 F188 G193 K196 V202L172-I198 HydrophobicContact CD1-CD1 3.32Å; L172-I198 HydrophobicContact CD1-CG1 4.43Å; V186-I198 HydrophobicContact CG1-CD1 3.95Å; F188-I198 HydrophobicContact CD1-CG1 4.07Å; F188-I198 HydrophobicContact CE1-CG1 4.21Å; F188-I198 HydrophobicContact CE1-CG2 4.46Å; F188-I198 HydrophobicContact CG-CG1 4.31Å; F188-I198 HydrophobicContact CZ-CG2 4.22Å; G193-I198 VanDerWaalsContact O-CB 3.29Å; G193-I198 WeakPolarHBondContact O-CB 3.08Å; G193-I198 WeakPolarHBondContact O-CG1 3.22Å; G193-I198 PolarHBondContact O-N 2.8Å; K196-I198 VanDerWaalsContact C-N 3.32Å; K196-I198 HydrophobicContact CB-CD1 4.45Å; K196-I198 HydrophobicContact CB-CG1 4.09Å; I198-V202 HydrophobicContact CG2-CB 3.57Å; I198-V202 HydrophobicContact CG2-CG1 3.55Å; I198-V202 HydrophobicContact CG2-CG2 4.49Å
199P95.8Very high96.2Very high2 Ų230.2 Ų30.21%0.01315%0.147CC..  trans-61.6147.7174.7-19.830.2000112.1G201 V202 D203 L219 F225 I241 Y243P199-G201 PolarHBondContact O-N 3.05Å; P199-G201 VanDerWaalsContact O-N 3.08Å; P199-V202 HydrophobicContact CG-CG2 4.39Å; P199-V202 PolarHBondContact O-N 2.82Å; P199-D203 PolarHBondContact O-N 2.84Å; P199-L219 HydrophobicContact CB-CD1 4.14Å; P199-F225 HydrophobicContact CG-CE1 3.89Å; P199-F225 HydrophobicContact CG-CZ 3.97Å; P199-I241 HydrophobicContact CB-CD1 4.47Å; P199-I241 HydrophobicContact CG-CD1 4.13Å; P199-Y243 HydrophobicContact CG-CD2 4.27Å; P199-Y243 HydrophobicContact CG-CE2 3.52Å
200L95.4Very high96.1Very high11 Ų1129.5 Ų29.56%0.05814%0.142CC..Hα-helixtrans-52.5-36.3-179.7178.963.7000113D203 R204 Y223 H285 I289L200-D203 PolarHBondContact O-N 2.95Å; L200-R204 HydrophobicContact CD1-CG 4.14Å; L200-R204 HydrophobicContact CG-CG 4.38Å; L200-R204 WeakPolarHBondContact O-CB 3.35Å; L200-R204 WeakPolarHBondContact O-CG 3.43Å; L200-R204 PolarHBondContact O-N 3.46Å; L200-Y223 HydrophobicContact CD2-CD1 4.39Å; L200-Y223 HydrophobicContact CG-CD1 4.45Å; L200-H285 HydrophobicContact CD2-CB 4.04Å; L200-I289 HydrophobicContact CD1-CD1 4.09Å
201G97.3Very high96.2Very high0 Ų034.8 Ų34.80%016%0.161CC..Hα-helixtrans-66.8-37.4179.600000114P199 A205 Y223P199-G201 PolarHBondContact O-N 3.05Å; P199-G201 VanDerWaalsContact O-N 3.08Å; G201-A205 WeakPolarHBondContact O-CB 3.39Å; G201-A205 PolarHBondContact O-N 2.68Å; G201-Y223 WeakPolarHBondContact CA-O 3.15Å; G201-Y223 PolarHBondContact N-O 3.39Å
202V98.1Very high96.3Very high0 Ų036.3 Ų36.30%018%0.176CC..Hα-helixtrans-66.9-47.7174.7174.90000109.6L172 I198 P199 R204 A205 M206 L217 L219 Y243 V245L172-V202 HydrophobicContact CD2-CG1 3.82Å; I198-V202 HydrophobicContact CG2-CB 3.57Å; I198-V202 HydrophobicContact CG2-CG1 3.55Å; I198-V202 HydrophobicContact CG2-CG2 4.49Å; P199-V202 HydrophobicContact CG-CG2 4.39Å; P199-V202 PolarHBondContact O-N 2.82Å; V202-R204 PolarHBondContact O-N 3.4Å; V202-A205 PolarHBondContact O-N 3.04Å; V202-M206 HydrophobicContact CG1-CE 3.95Å; V202-M206 WeakPolarHBondContact O-CE 3.48Å; V202-M206 PolarHBondContact O-N 3.18Å; V202-L217 HydrophobicContact CG2-CD1 4.4Å; V202-L219 HydrophobicContact CG2-CD1 3.97Å; V202-Y243 HydrophobicContact CG2-CD1 4.12Å; V202-Y243 HydrophobicContact CG2-CD2 4Å; V202-Y243 HydrophobicContact CG2-CG 3.73Å; V202-V245 HydrophobicContact CG1-CG2 4.18Å; V202-V245 HydrophobicContact CG2-CG2 4.47Å
203D97.6Very high96.4Very high8 Ų834.9 Ų34.94%0.04317%0.17CC..Hα-helixtrans-58.1-48.1178.5-164.6-3.3000111.4F188 V190 G191 Q192 G193 P199 L200 A205 M206F188-D203 HydrophobicContact CE2-CB 4.32Å; V190-D203 VanDerWaalsContact CA-OD1 3.26Å; V190-D203 WeakPolarHBondContact CA-OD1 3.38Å; G191-D203 VanDerWaalsContact CA-OD2 3.29Å; G191-D203 WeakPolarHBondContact CA-OD2 3.49Å; G191-D203 VanDerWaalsContact N-CG 3.3Å; G191-D203 PolarHBondContact N-OD1 2.78Å; G191-D203 PolarHBondContact N-OD2 2.99Å; Q192-D203 PolarHBondContact N-OD2 2.87Å; G193-D203 PolarHBondContact N-OD2 3.4Å; P199-D203 PolarHBondContact O-N 2.84Å; L200-D203 PolarHBondContact O-N 2.95Å; D203-A205 VanDerWaalsContact C-N 3.29Å; D203-A205 PolarHBondContact O-N 3.07Å; D203-M206 WeakPolarHBondContact O-CB 3.1Å; D203-M206 WeakPolarHBondContact O-CG 3.36Å; D203-M206 PolarHBondContact O-N 3.37Å
204R96.1Very high96.5Very high101 Ų10135.4 Ų35.438%0.38117%0.173SC..Hα-helixtrans-65.1-27.1177.4-77.3-171.9177.6-160.71.7114.4I148 L200 V202 M206I148-R204 HydrophobicContact CD1-CB 3.9Å; L200-R204 HydrophobicContact CD1-CG 4.14Å; L200-R204 HydrophobicContact CG-CG 4.38Å; L200-R204 WeakPolarHBondContact O-CB 3.35Å; L200-R204 WeakPolarHBondContact O-CG 3.43Å; L200-R204 PolarHBondContact O-N 3.46Å; V202-R204 PolarHBondContact O-N 3.4Å; R204-M206 VanDerWaalsContact C-N 3.27Å
205A97.8Very high96.8Very high0 Ų033.3 Ų33.30%016%0.163CC..Hα-helixtrans-74.9-19.5178.800000112.5L142 G201 V202 D203 D207 K208 M209 L217L142-A205 HydrophobicContact CD1-CB 3.97Å; G201-A205 WeakPolarHBondContact O-CB 3.39Å; G201-A205 PolarHBondContact O-N 2.68Å; V202-A205 PolarHBondContact O-N 3.04Å; D203-A205 VanDerWaalsContact C-N 3.29Å; D203-A205 PolarHBondContact O-N 3.07Å; A205-D207 VanDerWaalsContact C-N 3.27Å; A205-D207 PolarHBondContact O-N 3.49Å; A205-K208 PolarHBondContact O-N 3.04Å; A205-M209 WeakPolarHBondContact O-CG 3.31Å; A205-M209 PolarHBondContact O-N 2.97Å; A205-L217 HydrophobicContact CB-CD1 3.5Å; A205-L217 VanDerWaalsContact CB-CD1 3.5Å; A205-L217 HydrophobicContact CB-CD2 3.87Å; A205-L217 HydrophobicContact CB-CG 4.36Å
206M97.9Very high97Very high0 Ų030.8 Ų30.80%015%0.15CC..G310 helixtrans-56.5-39.2-174.6-66.7-61.2102.800112.6P162 V168 V170 F188 V190 V202 D203 R204 K208 M209 V245P162-M206 HydrophobicContact CB-CB 4.35Å; P162-M206 VanDerWaalsContact CD-O 3.27Å; P162-M206 WeakPolarHBondContact CD-O 3.26Å; P162-M206 HydrophobicContact CG-CB 4.46Å; P162-M206 WeakPolarHBondContact CG-O 3.25Å; V168-M206 HydrophobicContact CG2-SD 4.28Å; V170-M206 HydrophobicContact CG1-SD 3.92Å; F188-M206 HydrophobicContact CE2-CG 4.41Å; F188-M206 HydrophobicContact CZ-CG 3.88Å; F188-M206 HydrophobicContact CZ-SD 4.11Å; V190-M206 HydrophobicContact CG1-CB 4.41Å; V190-M206 HydrophobicContact CG2-CB 3.88Å; V190-M206 HydrophobicContact CG2-CG 4.15Å; V202-M206 HydrophobicContact CG1-CE 3.95Å; V202-M206 WeakPolarHBondContact O-CE 3.48Å; V202-M206 PolarHBondContact O-N 3.18Å; D203-M206 WeakPolarHBondContact O-CB 3.1Å; D203-M206 WeakPolarHBondContact O-CG 3.36Å; D203-M206 PolarHBondContact O-N 3.37Å; R204-M206 VanDerWaalsContact C-N 3.27Å; M206-K208 PolarHBondContact O-N 2.89Å; M206-K208 VanDerWaalsContact O-N 3.14Å; M206-M209 HydrophobicContact CE-SD 3.55Å; M206-M209 VanDerWaalsContact CE-SD 3.55Å; M206-M209 PolarHBondContact O-N 3.46Å; M206-M209 VanDerWaalsContact O-N 3.13Å; M206-V245 HydrophobicContact CE-CG1 3.83Å
207D95.8Very high97.1Very high62 Ų6225.4 Ų25.433%0.33213%0.126SC..G310 helixtrans-70.6-8.3-178.785-23.9000114N161 P162 A205N161-D207 VanDerWaalsContact CB-O 3.25Å; N161-D207 WeakPolarHBondContact CB-O 3.43Å; N161-D207 PolarHBondContact ND2-O 3.37Å; P162-D207 VanDerWaalsContact O-CA 3.3Å; P162-D207 WeakPolarHBondContact O-CA 3.43Å; P162-D207 WeakPolarHBondContact O-CB 3.29Å; A205-D207 VanDerWaalsContact C-N 3.27Å; A205-D207 PolarHBondContact O-N 3.49Å
208K96.4Very high97.3Very high89 Ų8928.3 Ų28.339%0.38713%0.132SC..G310 helixtrans-103.5-8.8175.1-53.8-47177.2-138.40113.1L142 R150 A205 M206L142-K208 HydrophobicContact CD1-CB 4.37Å; L142-K208 HydrophobicContact CD1-CG 4.33Å; L142-K208 HydrophobicContact CD2-CB 4.43Å; L142-K208 HydrophobicContact CD2-CG 4.27Å; R150-K208 PolarHBondContact NH1-O 3.41Å; A205-K208 PolarHBondContact O-N 3.04Å; M206-K208 PolarHBondContact O-N 2.89Å; M206-K208 VanDerWaalsContact O-N 3.14Å
209M97.3Very high97.4Very high0 Ų028.4 Ų28.40%013%0.132CC..PPolyproline II helixtrans-95.6147.1-176.5-66.7-175.869.200112.1P162 A205 M206 E213 C215 V245 L247P162-M209 VanDerWaalsContact CD-O 3.31Å; P162-M209 WeakPolarHBondContact CD-O 3.19Å; A205-M209 WeakPolarHBondContact O-CG 3.31Å; A205-M209 PolarHBondContact O-N 2.97Å; M206-M209 HydrophobicContact CE-SD 3.55Å; M206-M209 VanDerWaalsContact CE-SD 3.55Å; M206-M209 PolarHBondContact O-N 3.46Å; M206-M209 VanDerWaalsContact O-N 3.13Å; M209-E213 WeakPolarHBondContact CA-OE2 3.23Å; M209-E213 HydrophobicContact CE-CB 4.25Å; M209-E213 HydrophobicContact CE-CG 4.25Å; M209-C215 WeakPolarHBondContact CE-SG 3.48Å; M209-V245 HydrophobicContact CE-CB 4.25Å; M209-V245 HydrophobicContact CE-CG1 4.07Å; M209-V245 HydrophobicContact SD-CB 4.48Å; M209-V245 HydrophobicContact SD-CG1 4.17Å; M209-L247 HydrophobicContact CB-CB 4.49Å; M209-L247 HydrophobicContact CB-CD2 3.79Å; M209-L247 HydrophobicContact CE-CB 3.96Å
210Q96.9Very high97.5Very high50 Ų5032.6 Ų32.623%0.23415%0.151CC..PPolyproline II helixtrans-101.1158.8173.9-68.7-178.3-30.400111.8G156 G158 G212 E213G156-Q210 PolarHBondContact O-OE1 2.92Å; G158-Q210 PolarHBondContact O-NE2 2.96Å; G158-Q210 VanDerWaalsContact O-NE2 3.09Å; Q210-G212 PolarHBondContact O-N 3.01Å; Q210-E213 HydrophobicContact CB-CB 4.49Å; Q210-E213 PolarHBondContact N-OE2 2.86Å; Q210-E213 WeakPolarHBondContact O-CB 3.44Å; Q210-E213 PolarHBondContact O-N 3.29Å
211R97.9Very high97.5Very high122 Ų12233.5 Ų33.546%0.4616%0.157SC..BIsolated β-bridgetrans-60.3133.7176.3-172.1178.767.1179.72.5110.1G156 E157 E213 K248 N249 F250G156-R211 CarbonylContact C-O 3.58Å; G156-R211 VanDerWaalsContact CA-O 3.28Å; G156-R211 WeakPolarHBondContact CA-O 3.48Å; E157-R211 PolarHBondContact N-O 3.4Å; R211-E213 PolarHBondContact O-N 2.88Å; R211-K248 VanDerWaalsContact CG-O 3.3Å; R211-K248 WeakPolarHBondContact CG-O 3.11Å; R211-N249 WeakPolarHBondContact CD-OD1 3.37Å; R211-F250 HydrophobicContact CB-CD1 4.4Å; R211-F250 HydrophobicContact CB-CE1 4.04Å
212G97.6Very high97.3Very high34 Ų3437.7 Ų37.735%0.35118%0.175SC..THydrogen-bonded Turntrans78.5-4.8-174.800000114.6Q210 C214 L247Q210-G212 PolarHBondContact O-N 3.01Å; G212-C214 PolarHBondContact O-N 3.35Å; G212-L247 WeakPolarHBondContact CA-O 3.32Å; G212-L247 PolarHBondContact N-O 3.07Å
213E98.2Very high97.2Very high4 Ų438 Ų382%0.01918%0.177CC..  trans-65.7132.2176.5-172.5178.6135.400110.3R150 I152 V154 M209 Q210 R211 T246 L247R150-E213 IonicContact CZ-OE1 3.01Å; R150-E213 IonicContact NE-OE1 3.74Å; R150-E213 IonicContact NH1-OE1 3.87Å; R150-E213 PolarHBondContact NH1-OE1 3.42Å; R150-E213 IonicContact NH1-OE2 2.9Å; I152-E213 HydrophobicContact CG2-CG 3.96Å; V154-E213 WeakPolarHBondContact O-CA 3.47Å; M209-E213 WeakPolarHBondContact CA-OE2 3.23Å; M209-E213 HydrophobicContact CE-CB 4.25Å; M209-E213 HydrophobicContact CE-CG 4.25Å; Q210-E213 HydrophobicContact CB-CB 4.49Å; Q210-E213 PolarHBondContact N-OE2 2.86Å; Q210-E213 WeakPolarHBondContact O-CB 3.44Å; Q210-E213 PolarHBondContact O-N 3.29Å; R211-E213 PolarHBondContact O-N 2.88Å; E213-T246 WeakPolarHBondContact O-CA 3.45Å; E213-L247 PolarHBondContact O-N 2.92Å
214C98.4Very high97.1Very high11 Ų1138.2 Ų38.27%0.07418%0.18CC..EExtended strand (participates in β ladder)trans-115.9124.4165.8178.20000109.2K153 V154 G212 V245 T246K153-C214 WeakPolarHBondContact CA-O 3.2Å; K153-C214 WeakPolarHBondContact CB-O 3.46Å; K153-C214 PolarHBondContact N-O 2.79Å; V154-C214 HydrophobicContact CB-CB 3.89Å; V154-C214 HydrophobicContact CG2-CB 4.02Å; V154-C214 PolarHBondContact N-O 2.88Å; V154-C214 PolarHBondContact O-N 3.13Å; G212-C214 PolarHBondContact O-N 3.35Å; C214-V245 VanDerWaalsContact CA-O 3.3Å; C214-V245 WeakPolarHBondContact CA-O 3.43Å; C214-T246 HydrophobicContact CB-CG2 4.36Å; C214-T246 PolarHBondContact SG-OG1 3.45Å; C214-T246 VanDerWaalsContact SG-OG1 3.4Å
215C98.3Very high97Very high0 Ų035 Ų350%017%0.169CC..EExtended strand (participates in β ladder)trans-141157.1-178.771.70000112.7R150 R151 I152 M209 E244 V245R150-C215 HydrophobicContact CG-CB 3.88Å; R151-C215 CarbonylContact O-C 3.53Å; R151-C215 WeakPolarHBondContact O-CA 3.34Å; R151-C215 WeakPolarHBondContact O-CB 3.29Å; I152-C215 HydrophobicContact CB-CB 4.47Å; I152-C215 HydrophobicContact CG1-CB 4.25Å; M209-C215 WeakPolarHBondContact CE-SG 3.48Å; C215-E244 WeakPolarHBondContact O-CA 3.33Å; C215-V245 PolarHBondContact N-O 3.31Å; C215-V245 PolarHBondContact O-N 3.19Å
216L98.2Very high96.8Very high20 Ų2036 Ų3611%0.10518%0.18CC..EExtended strand (participates in β ladder)trans-91.9131.6167.4-62.5175.6000109M48 R150 R151 K153 Y218 V242 Y243 E244M48-L216 HydrophobicContact CE-CD1 4.23Å; M48-L216 HydrophobicContact SD-CD1 4.38Å; R150-L216 CarbonylContact C-O 3.51Å; R150-L216 VanDerWaalsContact CA-O 3.29Å; R150-L216 WeakPolarHBondContact CA-O 3.49Å; R151-L216 HydrophobicContact CB-CB 4.5Å; R151-L216 PolarHBondContact N-O 2.99Å; R151-L216 PolarHBondContact O-N 3.31Å; K153-L216 HydrophobicContact CD-CG 4.33Å; K153-L216 HydrophobicContact CG-CG 4.49Å; L216-Y218 HydrophobicContact CB-CE2 3.9Å; L216-V242 HydrophobicContact CD2-CG1 4.44Å; L216-Y243 CarbonylContact C-O 3.55Å; L216-Y243 WeakPolarHBondContact CA-O 3.43Å; L216-E244 HydrophobicContact CD2-CB 3.74Å; L216-E244 HydrophobicContact CD2-CG 3.98Å
217L98.6Very high96.4Very high0 Ų040 Ų400%021%0.207CC..EExtended strand (participates in β ladder)trans-115.7113.2174.5-61.9178.4000109.2L142 I148 M149 R150 V202 A205 L219 V242 Y243 V245L142-L217 HydrophobicContact CD1-CD2 4.37Å; I148-L217 HydrophobicContact CG2-CD2 4.38Å; M149-L217 CarbonylContact O-C 3.57Å; M149-L217 WeakPolarHBondContact O-CA 3.48Å; R150-L217 HydrophobicContact CB-CD2 3.87Å; R150-L217 HydrophobicContact CG-CD2 3.94Å; V202-L217 HydrophobicContact CG2-CD1 4.4Å; A205-L217 HydrophobicContact CB-CD1 3.5Å; A205-L217 VanDerWaalsContact CB-CD1 3.5Å; A205-L217 HydrophobicContact CB-CD2 3.87Å; A205-L217 HydrophobicContact CB-CG 4.36Å; L217-L219 HydrophobicContact CB-CD2 4.02Å; L217-L219 HydrophobicContact CB-CG 4.48Å; L217-V242 CarbonylContact O-C 3.58Å; L217-V242 WeakPolarHBondContact O-CA 3.42Å; L217-Y243 PolarHBondContact N-O 2.9Å; L217-Y243 PolarHBondContact O-N 2.87Å; L217-V245 HydrophobicContact CD1-CG2 3.76Å; L217-V245 HydrophobicContact CG-CG2 4.33Å
218Y98.2Very high96.2Very high80 Ų8045 Ų4531%0.31423%0.229SC..EExtended strand (participates in β ladder)trans-91.5116173.2-60-101000108.3M149 R151 L216 V242M149-Y218 PolarHBondContact N-O 3.43Å; M149-Y218 VanDerWaalsContact N-O 3.07Å; M149-Y218 PolarHBondContact O-N 2.97Å; M149-Y218 HydrophobicContact SD-CD2 4.48Å; R151-Y218 HydrophobicContact CG-CE2 4.07Å; L216-Y218 HydrophobicContact CB-CE2 3.9Å; Y218-V242 HydrophobicContact CD1-CB 4.5Å; Y218-V242 HydrophobicContact CD1-CG1 4.24Å; Y218-V242 HydrophobicContact CD1-CG2 3.49Å; Y218-V242 VanDerWaalsContact CD1-CG2 3.49Å; Y218-V242 HydrophobicContact CE1-CG1 4.13Å; Y218-V242 HydrophobicContact CE1-CG2 3.74Å; Y218-V242 HydrophobicContact CG-CG2 4.29Å
219L98.3Very high96Very high2 Ų241.2 Ų41.21%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-112.2118.5-170.8-53-175.7000110.4I148 P199 V202 L217 E240 I241 Y243I148-L219 HydrophobicContact CB-CD2 4.39Å; I148-L219 HydrophobicContact CG1-CD2 4.19Å; I148-L219 HydrophobicContact CG2-CD2 3.86Å; P199-L219 HydrophobicContact CB-CD1 4.14Å; V202-L219 HydrophobicContact CG2-CD1 3.97Å; L217-L219 HydrophobicContact CB-CD2 4.02Å; L217-L219 HydrophobicContact CB-CG 4.48Å; L219-E240 WeakPolarHBondContact O-CA 3.44Å; L219-I241 HydrophobicContact CB-CG1 3.96Å; L219-I241 HydrophobicContact CD1-CD1 4.41Å; L219-I241 HydrophobicContact CD1-CG1 4.24Å; L219-I241 HydrophobicContact CG-CG1 4.49Å; L219-I241 PolarHBondContact N-O 3.12Å; L219-I241 PolarHBondContact O-N 3.14Å; L219-Y243 HydrophobicContact CD1-CD2 4.19Å
220K97.4Very high95.9Very high91 Ų9143.1 Ų43.140%0.39622%0.223SC..  trans-67.1161168.2-71.2-166.1-175.3161.70110.9G146 G147 K222 Y223 G224G146-K220 WeakPolarHBondContact O-CE 3.47Å; G146-K220 PolarHBondContact O-NZ 3.37Å; G147-K220 PolarHBondContact O-N 2.93Å; K220-K222 VanDerWaalsContact C-N 3.26Å; K220-K222 PolarHBondContact O-N 2.65Å; K220-Y223 CarbonylContact O-C 3.57Å; K220-Y223 PolarHBondContact O-N 3.28Å; K220-G224 PolarHBondContact O-N 3.17Å
221P95.9Very high95.7Very high30 Ų3045.8 Ų45.820%0.19525%0.245CC..G310 helixtrans-46.9-43.4-176-36.641.8000115.5Y223 G224 G226 D238P221-Y223 PolarHBondContact O-N 3.44Å; P221-G224 PolarHBondContact O-N 3.4Å; P221-G224 VanDerWaalsContact O-N 3.15Å; P221-G226 WeakPolarHBondContact O-CA 3.31Å; P221-G226 PolarHBondContact O-N 2.77Å; P221-D238 HydrophobicContact CB-CB 4.28Å; P221-D238 HydrophobicContact CG-CB 4.14Å; P221-D238 VanDerWaalsContact CG-O 3.3Å; P221-D238 WeakPolarHBondContact CG-O 3.08Å
222K93.4Very high95.4Very high87 Ų8747 Ų4738%0.37826%0.256SS..G310 helixtrans-56-31.8177.5179.1179.2173.7-1740113.9D145 K220D145-K222 IonicContact OD2-NZ 3.68Å; D145-K222 PolarHBondContact OD2-NZ 3.32Å; K220-K222 VanDerWaalsContact C-N 3.26Å; K220-K222 PolarHBondContact O-N 2.65Å
223Y96Very high95.3Very high8 Ų847.2 Ų47.23%0.03125%0.246CC..G310 helixtrans-106-7.9-178.2-63.2-81.1000112.8T143 D145 I148 L200 G201 K220 P221T143-Y223 HydrophobicContact CG2-CE1 4.06Å; D145-Y223 VanDerWaalsContact CG-OH 3.25Å; D145-Y223 WeakPolarHBondContact OD1-CE2 3.34Å; D145-Y223 PolarHBondContact OD1-OH 2.91Å; D145-Y223 WeakPolarHBondContact OD2-CE2 3.33Å; D145-Y223 PolarHBondContact OD2-OH 3.01Å; I148-Y223 HydrophobicContact CD1-CD1 3.62Å; I148-Y223 HydrophobicContact CD1-CE1 3.99Å; I148-Y223 HydrophobicContact CD1-CG 4.07Å; I148-Y223 HydrophobicContact CG1-CD1 3.71Å; I148-Y223 HydrophobicContact CG1-CD2 4.07Å; I148-Y223 HydrophobicContact CG1-CE1 4.19Å; I148-Y223 HydrophobicContact CG1-CG 3.62Å; L200-Y223 HydrophobicContact CD2-CD1 4.39Å; L200-Y223 HydrophobicContact CG-CD1 4.45Å; G201-Y223 WeakPolarHBondContact CA-O 3.15Å; G201-Y223 PolarHBondContact N-O 3.39Å; K220-Y223 CarbonylContact O-C 3.57Å; K220-Y223 PolarHBondContact O-N 3.28Å; P221-Y223 PolarHBondContact O-N 3.44Å
224G95.7Very high95.1Very high11 Ų1155.3 Ų55.311%0.11328%0.281CS..THydrogen-bonded Turntrans-93.4-128.7170.600000111.8K220 P221K220-G224 PolarHBondContact O-N 3.17Å; P221-G224 PolarHBondContact O-N 3.4Å; P221-G224 VanDerWaalsContact O-N 3.15Å
225F93.8Very high94.9Very high33 Ų3355.1 Ų55.115%0.14528%0.28CS..THydrogen-bonded Turntrans-96.95.9-179.8-57.6-60.2000114.4F181 P199 G229 K230 Y233 V235 I241F181-F225 AromaticContact CE2-CE2 3.84Å; F181-F225 HydrophobicContact CE2-CE2 3.84Å; F181-F225 AromaticContact CE2-CZ 3.94Å; F181-F225 HydrophobicContact CE2-CZ 3.94Å; F181-F225 AromaticContact CZ-CE2 3.75Å; F181-F225 HydrophobicContact CZ-CE2 3.75Å; F181-F225 HydrophobicContact CZ-CZ 4.2Å; P199-F225 HydrophobicContact CG-CE1 3.89Å; P199-F225 HydrophobicContact CG-CZ 3.97Å; F225-G229 PolarHBondContact O-N 3.31Å; F225-K230 HydrophobicContact CB-CB 4.16Å; F225-K230 HydrophobicContact CD1-CB 3.85Å; F225-K230 HydrophobicContact CD1-CD 4.33Å; F225-K230 HydrophobicContact CD1-CG 4.19Å; F225-K230 HydrophobicContact CD2-CB 3.73Å; F225-K230 HydrophobicContact CE1-CB 4.13Å; F225-K230 HydrophobicContact CE1-CD 4.37Å; F225-K230 HydrophobicContact CE1-CG 4.08Å; F225-K230 HydrophobicContact CE2-CB 4.02Å; F225-K230 HydrophobicContact CG-CB 3.65Å; F225-K230 HydrophobicContact CG-CG 4.47Å; F225-K230 HydrophobicContact CZ-CB 4.22Å; F225-K230 HydrophobicContact CZ-CG 4.27Å; F225-Y233 HydrophobicContact CE1-CD2 4.45Å; F225-Y233 HydrophobicContact CE2-CD2 4.13Å; F225-Y233 AromaticContact CZ-CD2 3.7Å; F225-Y233 HydrophobicContact CZ-CD2 3.7Å; F225-Y233 AromaticContact CZ-CE2 3.98Å; F225-Y233 HydrophobicContact CZ-CE2 3.98Å; F225-V235 HydrophobicContact CD2-CB 4.13Å; F225-V235 HydrophobicContact CD2-CG1 3.91Å; F225-V235 HydrophobicContact CD2-CG2 4.43Å; F225-V235 HydrophobicContact CE2-CB 4.46Å; F225-V235 HydrophobicContact CE2-CG2 4.27Å; F225-I241 HydrophobicContact CD2-CD1 3.75Å; F225-I241 HydrophobicContact CD2-CG2 4.44Å; F225-I241 HydrophobicContact CE2-CD1 3.6Å; F225-I241 HydrophobicContact CE2-CG2 4.49Å; F225-I241 HydrophobicContact CG-CD1 4.45Å; F225-I241 HydrophobicContact CZ-CD1 4.18Å
226G91.9Very high94.8Very high22 Ų2256.6 Ų56.623%0.22730%0.295CS..G310 helixtrans60.3-157.7175.600000115.1P221 E228 G229 D238P221-G226 WeakPolarHBondContact O-CA 3.31Å; P221-G226 PolarHBondContact O-N 2.77Å; G226-E228 PolarHBondContact O-N 3.07Å; G226-G229 PolarHBondContact O-N 3.07Å; G226-D238 PolarHBondContact O-N 3.2Å
227S91.3Very high94.7Very high83 Ų8359.4 Ų59.458%0.5832%0.315SS*.G310 helixtrans-72.2-11.5-177.555.30000114.1P237 D238S227-P237 VanDerWaalsContact O-CB 3.23Å; S227-P237 WeakPolarHBondContact O-CB 3.37Å; S227-P237 WeakPolarHBondContact O-CG 3.23Å; S227-D238 WeakPolarHBondContact CA-OD1 3.38Å; S227-D238 PolarHBondContact N-OD1 2.87Å
228E89.9Confident94.5Very high168 Ų16864 Ų6479%0.78534%0.339SS*.G310 helixtrans-87.2-26.2175.8-63.4-175.3175.700111.6G226G226-E228 PolarHBondContact O-N 3.07Å
229G92.9Very high94.5Very high9 Ų965.7 Ų65.79%0.09335%0.348CS..  trans65.6-161.3-170.100000111.7F225 G226 V235 G236F225-G229 PolarHBondContact O-N 3.31Å; G226-G229 PolarHBondContact O-N 3.07Å; G229-V235 WeakPolarHBondContact CA-O 3.48Å; G229-G236 WeakPolarHBondContact CA-O 3.37Å
230K94.3Very high94.4Very high40 Ų4071.6 Ų71.617%0.17438%0.376CS..BIsolated β-bridgetrans-14093.3178.3-167.968.4177.5163.10109.7F225 E232 Y233 K234 V235F225-K230 HydrophobicContact CB-CB 4.16Å; F225-K230 HydrophobicContact CD1-CB 3.85Å; F225-K230 HydrophobicContact CD1-CD 4.33Å; F225-K230 HydrophobicContact CD1-CG 4.19Å; F225-K230 HydrophobicContact CD2-CB 3.73Å; F225-K230 HydrophobicContact CE1-CB 4.13Å; F225-K230 HydrophobicContact CE1-CD 4.37Å; F225-K230 HydrophobicContact CE1-CG 4.08Å; F225-K230 HydrophobicContact CE2-CB 4.02Å; F225-K230 HydrophobicContact CG-CB 3.65Å; F225-K230 HydrophobicContact CG-CG 4.47Å; F225-K230 HydrophobicContact CZ-CB 4.22Å; F225-K230 HydrophobicContact CZ-CG 4.27Å; K230-E232 VanDerWaalsContact C-N 3.3Å; K230-E232 WeakPolarHBondContact CE-OE2 3.35Å; K230-E232 IonicContact NZ-OE1 3.84Å; K230-E232 PolarHBondContact NZ-OE1 3.45Å; K230-E232 IonicContact NZ-OE2 2.79Å; K230-E232 PolarHBondContact NZ-OE2 3.08Å; K230-E232 PolarHBondContact O-N 3.31Å; K230-Y233 HydrophobicContact CB-CD2 4.27Å; K230-Y233 HydrophobicContact CG-CD2 3.53Å; K230-Y233 HydrophobicContact CG-CE2 4.17Å; K230-Y233 HydrophobicContact CG-CG 3.94Å; K230-Y233 CarbonylContact O-C 3.47Å; K230-Y233 PolarHBondContact O-N 2.55Å; K230-K234 PolarHBondContact O-N 3.28Å; K230-K234 VanDerWaalsContact O-N 3.13Å; K230-V235 CarbonylContact C-O 3.55Å; K230-V235 HydrophobicContact CB-CB 4.39Å; K230-V235 PolarHBondContact N-O 3.49Å; K230-V235 PolarHBondContact O-N 3.33Å
231P92.8Very high94.4Very high107 Ų10767.3 Ų67.370%0.69536%0.357SS*.G310 helixtrans-57.6-38.8-176.3-28.135.6000113.9Y233 K234P231-Y233 PolarHBondContact O-N 3.49Å; P231-K234 PolarHBondContact O-N 2.95Å
232E93.2Very high94.6Very high146 Ų14667.7 Ų67.768%0.68236%0.359SS*.G310 helixtrans-53.2-36.6175.2-68161.6-15400112.1K230K230-E232 VanDerWaalsContact C-N 3.3Å; K230-E232 WeakPolarHBondContact CE-OE2 3.35Å; K230-E232 IonicContact NZ-OE1 3.84Å; K230-E232 PolarHBondContact NZ-OE1 3.45Å; K230-E232 IonicContact NZ-OE2 2.79Å; K230-E232 PolarHBondContact NZ-OE2 3.08Å; K230-E232 PolarHBondContact O-N 3.31Å
233Y93.9Very high94.8Very high39 Ų3963.6 Ų63.615%0.15334%0.341CS..G310 helixtrans-97.73.8179.4-63.3-23000113.3R179 F181 R184 F225 K230 P231 V235R179-Y233 VanDerWaalsContact CZ-O 3.31Å; R179-Y233 PolarHBondContact NH1-O 3.42Å; R179-Y233 PolarHBondContact NH2-O 2.98Å; F181-Y233 HydrophobicContact CB-CG 4.48Å; F181-Y233 HydrophobicContact CD2-CD1 4.24Å; F181-Y233 AromaticContact CD2-CD2 3.41Å; F181-Y233 HydrophobicContact CD2-CD2 3.41Å; F181-Y233 VanDerWaalsContact CD2-CD2 3.41Å; F181-Y233 HydrophobicContact CD2-CE2 4.05Å; F181-Y233 AromaticContact CD2-CG 3.52Å; F181-Y233 HydrophobicContact CD2-CG 3.52Å; F181-Y233 AromaticContact CE2-CD2 3.56Å; F181-Y233 HydrophobicContact CE2-CD2 3.56Å; F181-Y233 HydrophobicContact CE2-CE2 4.04Å; F181-Y233 HydrophobicContact CE2-CG 4.16Å; F181-Y233 HydrophobicContact CG-CG 4.31Å; R184-Y233 PolarHBondContact NH2-OH 3.36Å; F225-Y233 HydrophobicContact CE1-CD2 4.45Å; F225-Y233 HydrophobicContact CE2-CD2 4.13Å; F225-Y233 AromaticContact CZ-CD2 3.7Å; F225-Y233 HydrophobicContact CZ-CD2 3.7Å; F225-Y233 AromaticContact CZ-CE2 3.98Å; F225-Y233 HydrophobicContact CZ-CE2 3.98Å; K230-Y233 HydrophobicContact CB-CD2 4.27Å; K230-Y233 HydrophobicContact CG-CD2 3.53Å; K230-Y233 HydrophobicContact CG-CE2 4.17Å; K230-Y233 HydrophobicContact CG-CG 3.94Å; K230-Y233 CarbonylContact O-C 3.47Å; K230-Y233 PolarHBondContact O-N 2.55Å; P231-Y233 PolarHBondContact O-N 3.49Å; Y233-V235 PolarHBondContact O-N 3.3Å
234K94.2Very high94.9Very high175 Ų17565.4 Ų65.476%0.76135%0.349SS*.THydrogen-bonded Turntrans53.433.1-173.2-54.4176.9-179.3177.70112.2R179 K230 P231R179-K234 PolarHBondContact NH2-O 3.13Å; K230-K234 PolarHBondContact O-N 3.28Å; K230-K234 VanDerWaalsContact O-N 3.13Å; P231-K234 PolarHBondContact O-N 2.95Å
235V95.5Very high95.1Very high7 Ų764.9 Ų64.94%0.04234%0.344CS..BIsolated β-bridgetrans-95.4120.4175.2-178.50000107.6C176 F181 F225 G229 K230 Y233 K239 I241C176-V235 HydrophobicContact CB-CG2 4.14Å; F181-V235 HydrophobicContact CD1-CG2 3.89Å; F181-V235 HydrophobicContact CE1-CG2 3.99Å; F181-V235 HydrophobicContact CG-CG2 4.21Å; F181-V235 HydrophobicContact CZ-CG2 4.44Å; F225-V235 HydrophobicContact CD2-CB 4.13Å; F225-V235 HydrophobicContact CD2-CG1 3.91Å; F225-V235 HydrophobicContact CD2-CG2 4.43Å; F225-V235 HydrophobicContact CE2-CB 4.46Å; F225-V235 HydrophobicContact CE2-CG2 4.27Å; G229-V235 WeakPolarHBondContact CA-O 3.48Å; K230-V235 CarbonylContact C-O 3.55Å; K230-V235 HydrophobicContact CB-CB 4.39Å; K230-V235 PolarHBondContact N-O 3.49Å; K230-V235 PolarHBondContact O-N 3.33Å; Y233-V235 PolarHBondContact O-N 3.3Å; V235-K239 HydrophobicContact CG1-CB 3.86Å; V235-K239 HydrophobicContact CG1-CG 4.41Å; V235-I241 HydrophobicContact CG1-CG2 4.04Å
236G95Very high95.3Very high31 Ų3165.2 Ų65.232%0.3235%0.349SS..PPolyproline II helixtrans-74.2172.2179.900000113.3G229 K239G229-G236 WeakPolarHBondContact CA-O 3.37Å; G236-K239 WeakPolarHBondContact O-CG 3.38Å
237P96.2Very high95.6Very high79 Ų7964.1 Ų64.151%0.51334%0.338SS..THydrogen-bonded Turntrans-50.8142.4170.4-32.240.1000113.4S227 K239S227-P237 VanDerWaalsContact O-CB 3.23Å; S227-P237 WeakPolarHBondContact O-CB 3.37Å; S227-P237 WeakPolarHBondContact O-CG 3.23Å; P237-K239 PolarHBondContact O-N 3.14Å
238D95.6Very high96Very high95 Ų9564.8 Ų64.851%0.50833%0.331SS..THydrogen-bonded Turntrans53.729169.6-57.9-52.5000114.6P221 G226 S227P221-D238 HydrophobicContact CB-CB 4.28Å; P221-D238 HydrophobicContact CG-CB 4.14Å; P221-D238 VanDerWaalsContact CG-O 3.3Å; P221-D238 WeakPolarHBondContact CG-O 3.08Å; G226-D238 PolarHBondContact O-N 3.2Å; S227-D238 WeakPolarHBondContact CA-OD1 3.38Å; S227-D238 PolarHBondContact N-OD1 2.87Å
239K96.4Very high96.3Very high116 Ų11660.2 Ų60.250%0.50431%0.311SS..  trans-84135.5174-70.4-63.7-176.4-178.50111.2V235 G236 P237V235-K239 HydrophobicContact CG1-CB 3.86Å; V235-K239 HydrophobicContact CG1-CG 4.41Å; G236-K239 WeakPolarHBondContact O-CG 3.38Å; P237-K239 PolarHBondContact O-N 3.14Å
240E97.4Very high96.6Very high127 Ų12761.1 Ų61.159%0.59331%0.313SS*.  trans-71.4141163.8-62.6-172.9166.700109.4L219L219-E240 WeakPolarHBondContact O-CA 3.44Å
241I97.8Very high96.8Very high1 Ų167 Ų671%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-133.1150.9-179.962.7-175.1000109.1R175 C176 F181 P199 L219 F225 V235 Y243R175-I241 WeakPolarHBondContact O-CA 3.29Å; C176-I241 HydrophobicContact CB-CG2 4.14Å; F181-I241 HydrophobicContact CE1-CB 4.38Å; F181-I241 HydrophobicContact CE1-CG2 4.14Å; F181-I241 HydrophobicContact CZ-CB 4.44Å; F181-I241 HydrophobicContact CZ-CD1 4.49Å; F181-I241 HydrophobicContact CZ-CG2 4.37Å; P199-I241 HydrophobicContact CB-CD1 4.47Å; P199-I241 HydrophobicContact CG-CD1 4.13Å; L219-I241 HydrophobicContact CB-CG1 3.96Å; L219-I241 HydrophobicContact CD1-CD1 4.41Å; L219-I241 HydrophobicContact CD1-CG1 4.24Å; L219-I241 HydrophobicContact CG-CG1 4.49Å; L219-I241 PolarHBondContact N-O 3.12Å; L219-I241 PolarHBondContact O-N 3.14Å; F225-I241 HydrophobicContact CD2-CD1 3.75Å; F225-I241 HydrophobicContact CD2-CG2 4.44Å; F225-I241 HydrophobicContact CE2-CD1 3.6Å; F225-I241 HydrophobicContact CE2-CG2 4.49Å; F225-I241 HydrophobicContact CG-CD1 4.45Å; F225-I241 HydrophobicContact CZ-CD1 4.18Å; V235-I241 HydrophobicContact CG1-CG2 4.04Å; I241-Y243 HydrophobicContact CD1-CD2 4.27Å; I241-Y243 HydrophobicContact CD1-CE2 3.85Å; I241-Y243 HydrophobicContact CG1-CD2 4.4Å; I241-Y243 HydrophobicContact CG1-CE2 4.42Å
242V98.4Very high97Very high38 Ų3867.3 Ų67.323%0.2333%0.326CS..EExtended strand (participates in β ladder)trans-116.8129.8177.2-174.80000107.9R175 L216 L217 Y218R175-V242 PolarHBondContact N-O 2.9Å; R175-V242 PolarHBondContact O-N 2.56Å; L216-V242 HydrophobicContact CD2-CG1 4.44Å; L217-V242 CarbonylContact O-C 3.58Å; L217-V242 WeakPolarHBondContact O-CA 3.42Å; Y218-V242 HydrophobicContact CD1-CB 4.5Å; Y218-V242 HydrophobicContact CD1-CG1 4.24Å; Y218-V242 HydrophobicContact CD1-CG2 3.49Å; Y218-V242 VanDerWaalsContact CD1-CG2 3.49Å; Y218-V242 HydrophobicContact CE1-CG1 4.13Å; Y218-V242 HydrophobicContact CE1-CG2 3.74Å; Y218-V242 HydrophobicContact CG-CG2 4.29Å
243Y98.5Very high97.1Very high0 Ų061.8 Ų61.80%031%0.305CS..EExtended strand (participates in β ladder)trans-112.4128.6171.5-93-94.7000110.3L172 E173 F181 D182 P199 V202 L216 L217 L219 I241L172-Y243 HydrophobicContact CB-CD1 4.21Å; L172-Y243 HydrophobicContact CB-CE1 4.21Å; L172-Y243 HydrophobicContact CD2-CD1 4.23Å; E173-Y243 CarbonylContact O-C 3.49Å; E173-Y243 VanDerWaalsContact O-CA 3.24Å; E173-Y243 WeakPolarHBondContact O-CA 3.48Å; F181-Y243 HydrophobicContact CE2-CE2 4.21Å; F181-Y243 AromaticContact CE2-CZ 3.95Å; F181-Y243 WeakPolarHBondContact CE2-OH 3.4Å; F181-Y243 AromaticContact CZ-CE2 3.79Å; F181-Y243 HydrophobicContact CZ-CE2 3.79Å; F181-Y243 AromaticContact CZ-CZ 3.99Å; D182-Y243 HydrophobicContact CB-CE1 4.42Å; D182-Y243 PolarHBondContact OD2-OH 3.48Å; P199-Y243 HydrophobicContact CG-CD2 4.27Å; P199-Y243 HydrophobicContact CG-CE2 3.52Å; V202-Y243 HydrophobicContact CG2-CD1 4.12Å; V202-Y243 HydrophobicContact CG2-CD2 4Å; V202-Y243 HydrophobicContact CG2-CG 3.73Å; L216-Y243 CarbonylContact C-O 3.55Å; L216-Y243 WeakPolarHBondContact CA-O 3.43Å; L217-Y243 PolarHBondContact N-O 2.9Å; L217-Y243 PolarHBondContact O-N 2.87Å; L219-Y243 HydrophobicContact CD1-CD2 4.19Å; I241-Y243 HydrophobicContact CD1-CD2 4.27Å; I241-Y243 HydrophobicContact CD1-CE2 3.85Å; I241-Y243 HydrophobicContact CG1-CD2 4.4Å; I241-Y243 HydrophobicContact CG1-CE2 4.42Å
244E98.6Very high97.1Very high46 Ų4664.7 Ų64.722%0.21532%0.318CS..EExtended strand (participates in β ladder)trans-89.5121.4160.3-173.5161.3179.800108.2K153 L172 E173 C215 L216K153-E244 VanDerWaalsContact CD-OE1 3.28Å; K153-E244 WeakPolarHBondContact CD-OE1 3.41Å; K153-E244 IonicContact NZ-OE1 3.11Å; K153-E244 PolarHBondContact NZ-OE1 3.01Å; K153-E244 IonicContact NZ-OE2 3.28Å; K153-E244 PolarHBondContact NZ-OE2 3.08Å; L172-E244 WeakPolarHBondContact CA-O 3.36Å; E173-E244 HydrophobicContact CB-CB 4.23Å; E173-E244 PolarHBondContact N-O 3.47Å; E173-E244 PolarHBondContact O-N 3.23Å; C215-E244 WeakPolarHBondContact O-CA 3.33Å; L216-E244 HydrophobicContact CD2-CB 3.74Å; L216-E244 HydrophobicContact CD2-CG 3.98Å
245V98.7Very high97Very high0 Ų058.5 Ų58.50%029%0.292CS..EExtended strand (participates in β ladder)trans-124.7124.5-173.1-173.70000109.3V170 H171 L172 V202 M206 M209 C214 C215 L217V170-V245 HydrophobicContact CB-CG1 4.39Å; V170-V245 HydrophobicContact CG1-CG1 4.44Å; H171-V245 WeakPolarHBondContact O-CA 3.33Å; L172-V245 HydrophobicContact CD2-CB 3.94Å; L172-V245 HydrophobicContact CD2-CG1 3.54Å; L172-V245 HydrophobicContact CD2-CG2 3.5Å; L172-V245 VanDerWaalsContact CD2-CG2 3.5Å; V202-V245 HydrophobicContact CG1-CG2 4.18Å; V202-V245 HydrophobicContact CG2-CG2 4.47Å; M206-V245 HydrophobicContact CE-CG1 3.83Å; M209-V245 HydrophobicContact CE-CB 4.25Å; M209-V245 HydrophobicContact CE-CG1 4.07Å; M209-V245 HydrophobicContact SD-CB 4.48Å; M209-V245 HydrophobicContact SD-CG1 4.17Å; C214-V245 VanDerWaalsContact CA-O 3.3Å; C214-V245 WeakPolarHBondContact CA-O 3.43Å; C215-V245 PolarHBondContact N-O 3.31Å; C215-V245 PolarHBondContact O-N 3.19Å; L217-V245 HydrophobicContact CD1-CG2 3.76Å; L217-V245 HydrophobicContact CG-CG2 4.33Å
246T98.8Very high96.7Very high40 Ų4059.3 Ų59.325%0.24530%0.298CS..EExtended strand (participates in β ladder)trans-109.5115169.3-55.80000109.3V170 H171 E213 C214 K248V170-T246 CarbonylContact C-O 3.48Å; V170-T246 VanDerWaalsContact CA-O 3.26Å; V170-T246 WeakPolarHBondContact CA-O 3.45Å; H171-T246 PolarHBondContact N-O 3.45Å; H171-T246 PolarHBondContact O-N 2.84Å; E213-T246 WeakPolarHBondContact O-CA 3.45Å; C214-T246 HydrophobicContact CB-CG2 4.36Å; C214-T246 PolarHBondContact SG-OG1 3.45Å; C214-T246 VanDerWaalsContact SG-OG1 3.4Å; T246-K248 PolarHBondContact O-N 3.17Å
247L98.6Very high96.4Very high0 Ų067.3 Ų67.30%032%0.319CS..EExtended strand (participates in β ladder)trans-81.697.6174.7177.457.8000109.3P162 V168 V170 M209 G212 E213 N249 F250P162-L247 HydrophobicContact CG-CD2 3.77Å; V168-L247 HydrophobicContact CB-CD1 4.07Å; V168-L247 HydrophobicContact CG1-CD1 4.25Å; V170-L247 HydrophobicContact CG1-CD1 3.88Å; M209-L247 HydrophobicContact CB-CB 4.49Å; M209-L247 HydrophobicContact CB-CD2 3.79Å; M209-L247 HydrophobicContact CE-CB 3.96Å; G212-L247 WeakPolarHBondContact CA-O 3.32Å; G212-L247 PolarHBondContact N-O 3.07Å; E213-L247 PolarHBondContact O-N 2.92Å; L247-N249 WeakPolarHBondContact CD1-O 3.48Å; L247-F250 HydrophobicContact CD1-CB 4.48Å; L247-F250 HydrophobicContact CD2-CD1 4.05Å; L247-F250 HydrophobicContact CG-CD1 4.47Å
248K98.3Very high96.3Very high97 Ų9768.8 Ų68.842%0.42232%0.319SS..EExtended strand (participates in β ladder)trans-71.5-50.4-176.4-57.3-171.1-174-172.40111.1D169 D185 R211 T246D169-K248 HydrophobicContact CB-CB 4.47Å; D169-K248 WeakPolarHBondContact O-CB 3.36Å; D169-K248 PolarHBondContact O-N 3.18Å; D185-K248 WeakPolarHBondContact OD1-CE 3.5Å; D185-K248 IonicContact OD1-NZ 3.2Å; D185-K248 PolarHBondContact OD1-NZ 3.13Å; D185-K248 IonicContact OD2-NZ 2.81Å; D185-K248 PolarHBondContact OD2-NZ 3.44Å; R211-K248 VanDerWaalsContact CG-O 3.3Å; R211-K248 WeakPolarHBondContact CG-O 3.11Å; T246-K248 PolarHBondContact O-N 3.17Å
249N98Very high96.1Very high71 Ų7165 Ų6538%0.3830%0.298SS..EExtended strand (participates in β ladder)trans-155.8163.9-178.9-159.218.9000111.4D169 R211 L247D169-N249 HydrophobicContact CB-CB 4.41Å; D169-N249 PolarHBondContact N-O 3.14Å; D169-N249 PolarHBondContact O-N 2.92Å; R211-N249 WeakPolarHBondContact CD-OD1 3.37Å; L247-N249 WeakPolarHBondContact CD1-O 3.48Å
250F98.4Very high96Very high29 Ų2964.1 Ų64.113%0.12730%0.299CS..EExtended strand (participates in β ladder)trans-154.1157.3170.867.6-86.8000112.3S160 N161 P162 T167 V168 R211 L247 R252S160-F250 WeakPolarHBondContact O-CZ 3.49Å; N161-F250 VanDerWaalsContact C-CE2 3.45Å; P162-F250 HydrophobicContact CB-CD2 4.23Å; P162-F250 HydrophobicContact CB-CG 4.37Å; P162-F250 HydrophobicContact CG-CB 3.99Å; P162-F250 HydrophobicContact CG-CD1 3.9Å; P162-F250 HydrophobicContact CG-CD2 3.94Å; P162-F250 HydrophobicContact CG-CE1 4.36Å; P162-F250 HydrophobicContact CG-CE2 4.4Å; P162-F250 HydrophobicContact CG-CG 3.69Å; T167-F250 CarbonylContact O-C 3.58Å; T167-F250 WeakPolarHBondContact O-CA 3.25Å; T167-F250 WeakPolarHBondContact O-CB 3.33Å; V168-F250 HydrophobicContact CB-CB 4.42Å; V168-F250 HydrophobicContact CG1-CB 3.81Å; R211-F250 HydrophobicContact CB-CD1 4.4Å; R211-F250 HydrophobicContact CB-CE1 4.04Å; L247-F250 HydrophobicContact CD1-CB 4.48Å; L247-F250 HydrophobicContact CD2-CD1 4.05Å; L247-F250 HydrophobicContact CG-CD1 4.47Å; F250-R252 HydrophobicContact CD2-CG 4Å; F250-R252 HydrophobicContact CE2-CG 3.67Å
251K98.1Very high95.6Very high163 Ų16359.3 Ų59.371%0.70928%0.277SS*.EExtended strand (participates in β ladder)trans-123.1117.3168.1-176.2-178.7179.1-177.30108.5A166 T167A166-K251 CarbonylContact C-O 3.54Å; A166-K251 VanDerWaalsContact CA-O 3.26Å; A166-K251 WeakPolarHBondContact CA-O 3.44Å; A166-K251 WeakPolarHBondContact CB-O 3.3Å; T167-K251 PolarHBondContact N-O 3.41Å; T167-K251 PolarHBondContact O-N 2.99Å
252R97.3Very high95.3Very high113 Ų11364.1 Ų64.143%0.42630%0.303SS..PPolyproline II helixtrans-61144.4177.2-65.3-178.266.3125.5-11.2110.9N161 N163 F250 E255N161-R252 PolarHBondContact O-NH1 2.87Å; N163-R252 WeakPolarHBondContact OD1-CA 3.2Å; N163-R252 WeakPolarHBondContact OD1-CB 3.34Å; F250-R252 HydrophobicContact CD2-CG 4Å; F250-R252 HydrophobicContact CE2-CG 3.67Å; R252-E255 IonicContact CZ-OE1 3.8Å; R252-E255 IonicContact NH2-OE1 3.38Å; R252-E255 PolarHBondContact NH2-OE1 3.22Å
253A95.3Very high95.1Very high30 Ų3065 Ų6525%0.24831%0.305CS..PPolyproline II helixtrans-71.8157162.800000109.9N163 E255N163-A253 PolarHBondContact ND2-O 3.09Å; N163-A253 PolarHBondContact OD1-N 2.73Å; A253-E255 PolarHBondContact O-N 2.94Å
254K94.1Very high94.8Very high101 Ų10165.1 Ų65.144%0.43931%0.305SS..PPolyproline II helixtrans-62135.2169.2-72.5-177.4177177.40109.7E258 M259 E263K254-E258 VanDerWaalsContact CA-OE2 3.27Å; K254-E258 WeakPolarHBondContact CA-OE2 3.48Å; K254-E258 HydrophobicContact CB-CB 4.17Å; K254-E258 HydrophobicContact CG-CB 4.44Å; K254-M259 HydrophobicContact CB-CG 3.74Å; K254-M259 HydrophobicContact CB-SD 4.16Å; K254-M259 HydrophobicContact CD-CG 3.7Å; K254-M259 HydrophobicContact CG-CG 4.43Å; K254-E263 IonicContact NZ-OE1 3.53Å; K254-E263 PolarHBondContact NZ-OE1 2.75Å; K254-E263 IonicContact NZ-OE2 2.72Å; K254-E263 PolarHBondContact NZ-OE2 3.11Å
255E91.5Very high94.5Very high45 Ų4563.4 Ų63.421%0.2130%0.298CS..PPolyproline II helixtrans-71.9160.9170.7-59.6-70.1171.400110.2N163 R252 A253 W257 E258N163-E255 PolarHBondContact ND2-OE1 3.4Å; R252-E255 IonicContact CZ-OE1 3.8Å; R252-E255 IonicContact NH2-OE1 3.38Å; R252-E255 PolarHBondContact NH2-OE1 3.22Å; A253-E255 PolarHBondContact O-N 2.94Å; E255-W257 HydrophobicContact CB-CD2 3.7Å; E255-W257 VanDerWaalsContact CB-CE2 3.42Å; E255-W257 HydrophobicContact CB-CE3 3.83Å; E255-W257 HydrophobicContact CB-CG 4.49Å; E255-W257 HydrophobicContact CB-CH2 3.5Å; E255-W257 VanDerWaalsContact CB-CH2 3.5Å; E255-W257 HydrophobicContact CB-CZ2 3.36Å; E255-W257 HydrophobicContact CB-CZ3 3.73Å; E255-W257 HydrophobicContact CG-CH2 3.52Å; E255-W257 HydrophobicContact CG-CZ2 3.37Å; E255-W257 HydrophobicContact CG-CZ3 4.23Å; E255-W257 PolarHBondContact O-N 3.3Å; E255-W257 VanDerWaalsContact O-N 3.15Å; E255-E258 HydrophobicContact CB-CG 4.21Å; E255-E258 PolarHBondContact N-OE2 3.28Å; E255-E258 PolarHBondContact O-N 3.01Å
256S89.9Confident94.2Very high24 Ų2469.5 Ų69.517%0.16833%0.33CS..G310 helixtrans-55.1-37.1-177.2-172.70000112.7E258 K264 S296S256-E258 VanDerWaalsContact C-N 3.33Å; S256-K264 WeakPolarHBondContact O-CE 3.1Å; S256-K264 PolarHBondContact O-NZ 2.8Å; S256-K264 PolarHBondContact OG-NZ 3.11Å; S256-S296 PolarHBondContact OG-O 2.88Å
257W89.2Confident94Very high198 Ų19871.2 Ų71.275%0.7534%0.337SS*.G310 helixtrans-79.4-11.3179.761.182.5000114.3E255E255-W257 HydrophobicContact CB-CD2 3.7Å; E255-W257 VanDerWaalsContact CB-CE2 3.42Å; E255-W257 HydrophobicContact CB-CE3 3.83Å; E255-W257 HydrophobicContact CB-CG 4.49Å; E255-W257 HydrophobicContact CB-CH2 3.5Å; E255-W257 VanDerWaalsContact CB-CH2 3.5Å; E255-W257 HydrophobicContact CB-CZ2 3.36Å; E255-W257 HydrophobicContact CB-CZ3 3.73Å; E255-W257 HydrophobicContact CG-CH2 3.52Å; E255-W257 HydrophobicContact CG-CZ2 3.37Å; E255-W257 HydrophobicContact CG-CZ3 4.23Å; E255-W257 PolarHBondContact O-N 3.3Å; E255-W257 VanDerWaalsContact O-N 3.15Å
258E93Very high93.8Very high110 Ų11071.2 Ų71.251%0.51434%0.337SS..G310 helixtrans-88.2-10.2176.8-62.8-178.8127.800112.6K254 E255 S256K254-E258 VanDerWaalsContact CA-OE2 3.27Å; K254-E258 WeakPolarHBondContact CA-OE2 3.48Å; K254-E258 HydrophobicContact CB-CB 4.17Å; K254-E258 HydrophobicContact CG-CB 4.44Å; E255-E258 HydrophobicContact CB-CG 4.21Å; E255-E258 PolarHBondContact N-OE2 3.28Å; E255-E258 PolarHBondContact O-N 3.01Å; S256-E258 VanDerWaalsContact C-N 3.33Å
259M92.7Very high93.5Very high16 Ų1669 Ų698%0.07933%0.334CS..SBendtrans-104.7138178.7-64.3-178.5-71.900110.3K254 E263 K264 L267 W297K254-M259 HydrophobicContact CB-CG 3.74Å; K254-M259 HydrophobicContact CB-SD 4.16Å; K254-M259 HydrophobicContact CD-CG 3.7Å; K254-M259 HydrophobicContact CG-CG 4.43Å; M259-E263 HydrophobicContact CB-CB 4.43Å; M259-E263 HydrophobicContact CB-CG 4.33Å; M259-E263 HydrophobicContact CG-CG 4.26Å; M259-E263 HydrophobicContact SD-CG 4.39Å; M259-K264 HydrophobicContact CB-CG 3.92Å; M259-K264 HydrophobicContact CE-CG 4.35Å; M259-K264 WeakPolarHBondContact O-CE 3.49Å; M259-L267 HydrophobicContact SD-CD1 3.81Å; M259-W297 HydrophobicContact CE-CD2 4.25Å; M259-W297 HydrophobicContact CE-CG 4.3Å; M259-W297 HydrophobicContact CE-CZ2 4.18Å
260D92.6Very high93.4Very high97 Ų9767.8 Ų67.852%0.51934%0.339SS..  trans-75.4166.7167.171.352.1000111.4N262 E263 K264D260-N262 VanDerWaalsContact C-N 3.29Å; D260-N262 PolarHBondContact O-N 2.89Å; D260-N262 WeakPolarHBondContact OD1-CA 3.29Å; D260-N262 WeakPolarHBondContact OD1-CB 3.48Å; D260-N262 PolarHBondContact OD1-N 2.61Å; D260-E263 PolarHBondContact O-N 3.03Å; D260-E263 PolarHBondContact OD1-N 2.88Å; D260-K264 WeakPolarHBondContact O-CG 3.26Å; D260-K264 PolarHBondContact O-N 3.48Å
261L90.8Very high93.2Very high26 Ų2667 Ų6714%0.13634%0.336CS..Hα-helixtrans-63.5-32.4-176.4179.658.8000113.3K264 L265 L298 E301 Q308 I312L261-K264 PolarHBondContact O-N 2.92Å; L261-L265 HydrophobicContact CD1-CD1 4.17Å; L261-L265 HydrophobicContact CD1-CG 4.11Å; L261-L265 HydrophobicContact CG-CD1 4.05Å; L261-L265 HydrophobicContact CG-CG 4.42Å; L261-L265 WeakPolarHBondContact O-CB 3.27Å; L261-L265 VanDerWaalsContact O-CG 3.24Å; L261-L265 WeakPolarHBondContact O-CG 3.41Å; L261-L265 PolarHBondContact O-N 2.81Å; L261-L298 HydrophobicContact CD1-CD2 4.33Å; L261-E301 HydrophobicContact CD1-CB 4.12Å; L261-E301 HydrophobicContact CD1-CG 4.17Å; L261-Q308 VanDerWaalsContact CD2-CD 3.47Å; L261-Q308 HydrophobicContact CD2-CG 4.21Å; L261-I312 HydrophobicContact CD1-CD1 3.83Å; L261-I312 HydrophobicContact CD1-CG1 4.27Å; L261-I312 HydrophobicContact CD2-CD1 4Å
262N90.7Very high93.1Very high103 Ų10362.1 Ų62.155%0.55132%0.315SS*.Hα-helixtrans-70.7-45.4179.6-66.7-33.9000110D260 K264 L265 D266D260-N262 VanDerWaalsContact C-N 3.29Å; D260-N262 PolarHBondContact O-N 2.89Å; D260-N262 WeakPolarHBondContact OD1-CA 3.29Å; D260-N262 WeakPolarHBondContact OD1-CB 3.48Å; D260-N262 PolarHBondContact OD1-N 2.61Å; N262-K264 VanDerWaalsContact C-N 3.3Å; N262-K264 PolarHBondContact O-N 3.12Å; N262-L265 PolarHBondContact O-N 3.25Å; N262-L265 VanDerWaalsContact O-N 3.17Å; N262-D266 PolarHBondContact O-N 3.34Å
263E93.2Very high93.1Very high56 Ų5660.3 Ų60.326%0.26232%0.316SS..Hα-helixtrans-55.8-45.3173.4-176.4173.5-164.500111K254 M259 D260 D266 L267K254-E263 IonicContact NZ-OE1 3.53Å; K254-E263 PolarHBondContact NZ-OE1 2.75Å; K254-E263 IonicContact NZ-OE2 2.72Å; K254-E263 PolarHBondContact NZ-OE2 3.11Å; M259-E263 HydrophobicContact CB-CB 4.43Å; M259-E263 HydrophobicContact CB-CG 4.33Å; M259-E263 HydrophobicContact CG-CG 4.26Å; M259-E263 HydrophobicContact SD-CG 4.39Å; D260-E263 PolarHBondContact O-N 3.03Å; D260-E263 PolarHBondContact OD1-N 2.88Å; E263-D266 PolarHBondContact O-N 3.31Å; E263-L267 HydrophobicContact CG-CD1 4.24Å; E263-L267 WeakPolarHBondContact O-CG 3.48Å; E263-L267 PolarHBondContact O-N 2.92Å; E263-L267 VanDerWaalsContact O-N 3.17Å
264K93.9Very high93.1Very high2 Ų261 Ų611%0.00931%0.314CS..Hα-helixtrans-59.3-50175.2-69.9175.2-175.9-1680112S256 M259 D260 L261 N262 D266 L267 V268 W297 L298 E301S256-K264 WeakPolarHBondContact O-CE 3.1Å; S256-K264 PolarHBondContact O-NZ 2.8Å; S256-K264 PolarHBondContact OG-NZ 3.11Å; M259-K264 HydrophobicContact CB-CG 3.92Å; M259-K264 HydrophobicContact CE-CG 4.35Å; M259-K264 WeakPolarHBondContact O-CE 3.49Å; D260-K264 WeakPolarHBondContact O-CG 3.26Å; D260-K264 PolarHBondContact O-N 3.48Å; L261-K264 PolarHBondContact O-N 2.92Å; N262-K264 VanDerWaalsContact C-N 3.3Å; N262-K264 PolarHBondContact O-N 3.12Å; K264-D266 VanDerWaalsContact C-N 3.28Å; K264-D266 PolarHBondContact O-N 3.37Å; K264-L267 PolarHBondContact O-N 3.49Å; K264-V268 WeakPolarHBondContact O-CG2 3.3Å; K264-V268 PolarHBondContact O-N 2.95Å; K264-W297 HydrophobicContact CD-CB 4.31Å; K264-W297 WeakPolarHBondContact CD-O 3.49Å; K264-W297 HydrophobicContact CG-CB 4.42Å; K264-W297 PolarHBondContact NZ-O 2.75Å; K264-L298 HydrophobicContact CB-CD2 4.23Å; K264-E301 HydrophobicContact CD-CG 4.4Å; K264-E301 IonicContact NZ-OE1 3.74Å; K264-E301 PolarHBondContact NZ-OE1 3Å
265L91.9Very high93.3Very high11 Ų1156.1 Ų56.16%0.05829%0.293CS..Hα-helixtrans-63.7-33.7-176.8-72.9173000112.6L261 N262 L298 Q308 I312 Y315L261-L265 HydrophobicContact CD1-CD1 4.17Å; L261-L265 HydrophobicContact CD1-CG 4.11Å; L261-L265 HydrophobicContact CG-CD1 4.05Å; L261-L265 HydrophobicContact CG-CG 4.42Å; L261-L265 WeakPolarHBondContact O-CB 3.27Å; L261-L265 VanDerWaalsContact O-CG 3.24Å; L261-L265 WeakPolarHBondContact O-CG 3.41Å; L261-L265 PolarHBondContact O-N 2.81Å; N262-L265 PolarHBondContact O-N 3.25Å; N262-L265 VanDerWaalsContact O-N 3.17Å; L265-L298 HydrophobicContact CD2-CD2 4.33Å; L265-Q308 HydrophobicContact CD1-CG 4.19Å; L265-I312 HydrophobicContact CD2-CG1 4.23Å; L265-Y315 HydrophobicContact CD2-CD2 4.17Å; L265-Y315 HydrophobicContact CD2-CE2 4.19Å
266D92Very high93.5Very high128 Ų12856.6 Ų56.668%0.68430%0.297SS*.Hα-helixtrans-67.1-41.8175-72.2-16.4000111.4N262 E263 K264N262-D266 PolarHBondContact O-N 3.34Å; E263-D266 PolarHBondContact O-N 3.31Å; K264-D266 VanDerWaalsContact C-N 3.28Å; K264-D266 PolarHBondContact O-N 3.37Å
267L93.7Very high93.9Very high75 Ų7560.6 Ų60.639%0.39331%0.312SS..Hα-helixtrans-73.8-35.4-179.8-66.8174000113.6M259 E263 K264 S269 G270 V271 W297M259-L267 HydrophobicContact SD-CD1 3.81Å; E263-L267 HydrophobicContact CG-CD1 4.24Å; E263-L267 WeakPolarHBondContact O-CG 3.48Å; E263-L267 PolarHBondContact O-N 2.92Å; E263-L267 VanDerWaalsContact O-N 3.17Å; K264-L267 PolarHBondContact O-N 3.49Å; L267-S269 PolarHBondContact O-N 2.96Å; L267-G270 PolarHBondContact O-N 2.65Å; L267-V271 PolarHBondContact O-N 3Å; L267-V271 VanDerWaalsContact O-N 3.08Å; L267-W297 HydrophobicContact CB-CH2 4.03Å; L267-W297 HydrophobicContact CB-CZ3 3.69Å; L267-W297 HydrophobicContact CD1-CH2 4.28Å
268V95Very high94.2Very high0 Ų051.5 Ų51.50%028%0.278CS..Hα-helixtrans-56.5-37.9-175.81640000112.3K264 G270 V271 K272 I294 W297 L298 Y315K264-V268 WeakPolarHBondContact O-CG2 3.3Å; K264-V268 PolarHBondContact O-N 2.95Å; V268-G270 VanDerWaalsContact C-N 3.33Å; V268-G270 PolarHBondContact O-N 2.88Å; V268-V271 PolarHBondContact O-N 3.38Å; V268-K272 VanDerWaalsContact O-CB 3.28Å; V268-K272 WeakPolarHBondContact O-CB 3.45Å; V268-K272 PolarHBondContact O-N 3.16Å; V268-I294 HydrophobicContact CG1-CD1 4.43Å; V268-I294 HydrophobicContact CG1-CG1 4.29Å; V268-I294 HydrophobicContact CG1-CG2 3.9Å; V268-I294 HydrophobicContact CG2-CG2 4.43Å; V268-W297 HydrophobicContact CG2-CE3 3.87Å; V268-W297 HydrophobicContact CG2-CZ3 4.4Å; V268-L298 HydrophobicContact CG1-CD1 4.2Å; V268-L298 HydrophobicContact CG2-CD1 3.8Å; V268-L298 HydrophobicContact CG2-CD2 4.4Å; V268-L298 HydrophobicContact CG2-CG 4.06Å; V268-Y315 HydrophobicContact CG1-CD1 3.49Å; V268-Y315 VanDerWaalsContact CG1-CD1 3.49Å; V268-Y315 HydrophobicContact CG1-CD2 4.11Å; V268-Y315 HydrophobicContact CG1-CE1 3.77Å; V268-Y315 HydrophobicContact CG1-CE2 4.33Å; V268-Y315 HydrophobicContact CG1-CG 3.69Å
269S92.9Very high94.4Very high51 Ų5148.4 Ų48.436%0.35726%0.263SS..Hα-helixtrans-62-41.4178.5-610000112.1L267 T273 Y315L267-S269 PolarHBondContact O-N 2.96Å; S269-T273 WeakPolarHBondContact O-CB 3.25Å; S269-T273 PolarHBondContact O-N 3.42Å; S269-T273 VanDerWaalsContact O-N 3.08Å; S269-T273 PolarHBondContact O-OG1 2.86Å; S269-Y315 PolarHBondContact OG-OH 2.91Å
270G94.4Very high94.6Very high46 Ų4656.2 Ų56.247%0.47430%0.297SS..Hα-helixtrans-66.1-48.2176.100000111.9L267 V268 K272 T273 K274L267-G270 PolarHBondContact O-N 2.65Å; V268-G270 VanDerWaalsContact C-N 3.33Å; V268-G270 PolarHBondContact O-N 2.88Å; G270-K272 PolarHBondContact O-N 3.22Å; G270-T273 PolarHBondContact O-N 3.45Å; G270-K274 PolarHBondContact O-N 3.35Å
271V94.9Very high94.7Very high12 Ų1254.7 Ų54.77%0.07330%0.298CS..Hα-helixtrans-61.4-44.3179176.90000111.5L267 V268 T273 K274 G275 Q290 R293 I294 W297L267-V271 PolarHBondContact O-N 3Å; L267-V271 VanDerWaalsContact O-N 3.08Å; V268-V271 PolarHBondContact O-N 3.38Å; V271-T273 VanDerWaalsContact C-N 3.34Å; V271-T273 PolarHBondContact O-N 2.96Å; V271-K274 PolarHBondContact O-N 2.84Å; V271-G275 PolarHBondContact O-N 3.3Å; V271-Q290 HydrophobicContact CG1-CB 3.9Å; V271-Q290 WeakPolarHBondContact CG1-O 3.37Å; V271-R293 HydrophobicContact CG1-CB 4.24Å; V271-I294 HydrophobicContact CB-CG1 4.33Å; V271-I294 HydrophobicContact CG1-CD1 4.38Å; V271-I294 HydrophobicContact CG1-CG1 3.89Å; V271-W297 HydrophobicContact CG2-CH2 3.81Å; V271-W297 HydrophobicContact CG2-CZ3 3.69Å
272K96.4Very high94.7Very high61 Ų6155.5 Ų55.527%0.26531%0.312SS..Hα-helixtrans-58.9-45174.8177.4178.5172.4-179.50111.6V268 G270 G275 N276 I294 Y315V268-K272 VanDerWaalsContact O-CB 3.28Å; V268-K272 WeakPolarHBondContact O-CB 3.45Å; V268-K272 PolarHBondContact O-N 3.16Å; G270-K272 PolarHBondContact O-N 3.22Å; K272-G275 PolarHBondContact O-N 2.88Å; K272-N276 VanDerWaalsContact O-CG 3.24Å; K272-N276 PolarHBondContact O-N 3.07Å; K272-N276 PolarHBondContact O-OD1 3.13Å; K272-I294 HydrophobicContact CB-CD1 3.8Å; K272-Y315 HydrophobicContact CD-CD1 4.37Å; K272-Y315 HydrophobicContact CD-CE1 4.23Å
273T96.6Very high94.8Very high74 Ų7455 Ų5545%0.45430%0.302SS..Hα-helixtrans-63.3-43.4178.9-59.80000110.9S269 G270 V271 N276 Q277S269-T273 WeakPolarHBondContact O-CB 3.25Å; S269-T273 PolarHBondContact O-N 3.42Å; S269-T273 VanDerWaalsContact O-N 3.08Å; S269-T273 PolarHBondContact O-OG1 2.86Å; G270-T273 PolarHBondContact O-N 3.45Å; V271-T273 VanDerWaalsContact C-N 3.34Å; V271-T273 PolarHBondContact O-N 2.96Å; T273-N276 WeakPolarHBondContact O-CB 3.4Å; T273-N276 PolarHBondContact O-N 3.27Å; T273-Q277 WeakPolarHBondContact O-CG 3.39Å; T273-Q277 PolarHBondContact O-N 3.36Å
274K95.8Very high94.8Very high44 Ų4454.2 Ų54.219%0.19130%0.299CS..Hα-helixtrans-63-43.9176.1-168.370.1-177.8177.80112.1D195 G270 V271 N276 Q277 Y278 Q290D195-K274 IonicContact OD1-NZ 2.87Å; D195-K274 PolarHBondContact OD1-NZ 2.81Å; D195-K274 WeakPolarHBondContact OD2-CE 3.28Å; D195-K274 IonicContact OD2-NZ 3.93Å; D195-K274 PolarHBondContact OD2-NZ 2.9Å; G270-K274 PolarHBondContact O-N 3.35Å; V271-K274 PolarHBondContact O-N 2.84Å; K274-N276 VanDerWaalsContact C-N 3.32Å; K274-N276 PolarHBondContact O-N 2.91Å; K274-Q277 WeakPolarHBondContact O-CB 3.43Å; K274-Q277 PolarHBondContact O-N 3.45Å; K274-Q277 VanDerWaalsContact O-N 3.15Å; K274-Y278 HydrophobicContact CD-CE2 4.31Å; K274-Y278 VanDerWaalsContact CE-CZ 3.45Å; K274-Y278 WeakPolarHBondContact CE-OH 3.36Å; K274-Y278 HydrophobicContact CG-CD2 4.18Å; K274-Y278 HydrophobicContact CG-CE2 3.76Å; K274-Y278 WeakPolarHBondContact O-CD2 3.33Å; K274-Y278 PolarHBondContact O-N 3.07Å; K274-Q290 HydrophobicContact CB-CG 4.44Å; K274-Q290 HydrophobicContact CG-CG 4.29Å
275G97.3Very high94.7Very high0 Ų056.6 Ų56.60%031%0.31CS..Hα-helixtrans-57.7-43.5173.900000112.3V271 K272 Q277 Y278 F279 A287 Y291V271-G275 PolarHBondContact O-N 3.3Å; K272-G275 PolarHBondContact O-N 2.88Å; G275-Q277 VanDerWaalsContact C-N 3.34Å; G275-Q277 PolarHBondContact O-N 3.25Å; G275-Y278 PolarHBondContact O-N 2.89Å; G275-F279 WeakPolarHBondContact O-CB 3.48Å; G275-F279 PolarHBondContact O-N 3.38Å; G275-A287 WeakPolarHBondContact O-CB 3.43Å; G275-Y291 VanDerWaalsContact C-OH 3.28Å; G275-Y291 PolarHBondContact O-OH 3.38Å
276N97.6Very high94.8Very high55 Ų5557 Ų5729%0.29431%0.311SS..Hα-helixtrans-63.7-38176.2-68.5-14.2000112.4K272 T273 K274 F279 K280 Y291K272-N276 VanDerWaalsContact O-CG 3.24Å; K272-N276 PolarHBondContact O-N 3.07Å; K272-N276 PolarHBondContact O-OD1 3.13Å; T273-N276 WeakPolarHBondContact O-CB 3.4Å; T273-N276 PolarHBondContact O-N 3.27Å; K274-N276 VanDerWaalsContact C-N 3.32Å; K274-N276 PolarHBondContact O-N 2.91Å; N276-F279 PolarHBondContact O-N 3.08Å; N276-K280 WeakPolarHBondContact O-CB 3.06Å; N276-K280 VanDerWaalsContact O-CG 3.29Å; N276-K280 WeakPolarHBondContact O-CG 3.41Å; N276-K280 PolarHBondContact O-N 3.45Å; N276-Y291 WeakPolarHBondContact CA-OH 3.42Å; N276-Y291 PolarHBondContact N-OH 3.36Å; N276-Y291 PolarHBondContact OD1-OH 2.84Å
277Q97.1Very high95Very high107 Ų10750.9 Ų50.950%0.528%0.279SS..Hα-helixtrans-63.4-48.6175.7-71.2171.3-1.300111T273 K274 G275 F279 K280 A281T273-Q277 WeakPolarHBondContact O-CG 3.39Å; T273-Q277 PolarHBondContact O-N 3.36Å; K274-Q277 WeakPolarHBondContact O-CB 3.43Å; K274-Q277 PolarHBondContact O-N 3.45Å; K274-Q277 VanDerWaalsContact O-N 3.15Å; G275-Q277 VanDerWaalsContact C-N 3.34Å; G275-Q277 PolarHBondContact O-N 3.25Å; Q277-F279 VanDerWaalsContact C-N 3.33Å; Q277-F279 PolarHBondContact O-N 3.07Å; Q277-K280 PolarHBondContact O-N 2.81Å; Q277-A281 WeakPolarHBondContact O-CB 3.37Å; Q277-A281 PolarHBondContact O-N 3.36Å
278Y96.6Very high95.1Very high7 Ų747.7 Ų47.73%0.02726%0.263CS..Hα-helixtrans-59.9-43.6176.2-73.9-44.4000112.2E194 D195 K274 G275 K280 A281 G282 R283 Q286 Q290E194-Y278 HydrophobicContact CG-CE1 4.42Å; D195-Y278 PolarHBondContact OD1-OH 2.95Å; D195-Y278 VanDerWaalsContact OD1-OH 3.13Å; D195-Y278 PolarHBondContact OD2-OH 2.88Å; K274-Y278 HydrophobicContact CD-CE2 4.31Å; K274-Y278 VanDerWaalsContact CE-CZ 3.45Å; K274-Y278 WeakPolarHBondContact CE-OH 3.36Å; K274-Y278 HydrophobicContact CG-CD2 4.18Å; K274-Y278 HydrophobicContact CG-CE2 3.76Å; K274-Y278 WeakPolarHBondContact O-CD2 3.33Å; K274-Y278 PolarHBondContact O-N 3.07Å; G275-Y278 PolarHBondContact O-N 2.89Å; Y278-K280 PolarHBondContact O-N 3.32Å; Y278-A281 CarbonylContact O-C 3.53Å; Y278-A281 PolarHBondContact O-N 3.35Å; Y278-A281 VanDerWaalsContact O-N 3.16Å; Y278-G282 PolarHBondContact O-N 3.45Å; Y278-R283 HydrophobicContact CD1-CB 4.18Å; Y278-R283 WeakPolarHBondContact O-CA 3.29Å; Y278-R283 WeakPolarHBondContact O-CB 3.39Å; Y278-R283 PolarHBondContact O-N 3.35Å; Y278-Q286 HydrophobicContact CD1-CB 3.99Å; Y278-Q286 HydrophobicContact CD2-CB 3.69Å; Y278-Q286 HydrophobicContact CE1-CB 4.24Å; Y278-Q286 HydrophobicContact CE2-CB 3.93Å; Y278-Q286 HydrophobicContact CG-CB 3.71Å; Y278-Q290 HydrophobicContact CD2-CG 3.85Å; Y278-Q290 HydrophobicContact CE2-CG 3.95Å
279F97.1Very high95.1Very high45 Ų4548.8 Ų48.820%0.19727%0.268CS..Hα-helixtrans-60.8-45.5178.3-174.3-91.1000112.1G275 N276 Q277 A281 G282 H284 A287 L325 C326 R329G275-F279 WeakPolarHBondContact O-CB 3.48Å; G275-F279 PolarHBondContact O-N 3.38Å; N276-F279 PolarHBondContact O-N 3.08Å; Q277-F279 VanDerWaalsContact C-N 3.33Å; Q277-F279 PolarHBondContact O-N 3.07Å; F279-A281 VanDerWaalsContact C-N 3.25Å; F279-A281 PolarHBondContact O-N 3.1Å; F279-G282 PolarHBondContact O-N 2.98Å; F279-G282 VanDerWaalsContact O-N 3.07Å; F279-H284 AromaticContact CD2-ND1 3.61Å; F279-H284 AromaticContact CE2-CE1 3.98Å; F279-H284 AromaticContact CE2-ND1 3.68Å; F279-A287 HydrophobicContact CB-CB 4.05Å; F279-L325 HydrophobicContact CE1-CD2 3.8Å; F279-L325 HydrophobicContact CE1-CG 4.43Å; F279-L325 HydrophobicContact CE2-CD2 3.96Å; F279-L325 HydrophobicContact CE2-CG 3.79Å; F279-L325 HydrophobicContact CZ-CD1 4.34Å; F279-L325 HydrophobicContact CZ-CD2 3.35Å; F279-L325 HydrophobicContact CZ-CG 3.5Å; F279-L325 VanDerWaalsContact CZ-CG 3.5Å; F279-C326 VanDerWaalsContact CD2-SG 3.56Å; F279-R329 HydrophobicContact CE2-CG 4.14Å; F279-R329 HydrophobicContact CZ-CG 4.28Å
280K96.8Very high95.3Very high181 Ų18146.3 Ų46.379%0.78725%0.251SS*.Hα-helixtrans-62.7-33176.5-74.3176.3179.8-176.30112.4N276 Q277 Y278 G282N276-K280 WeakPolarHBondContact O-CB 3.06Å; N276-K280 VanDerWaalsContact O-CG 3.29Å; N276-K280 WeakPolarHBondContact O-CG 3.41Å; N276-K280 PolarHBondContact O-N 3.45Å; Q277-K280 PolarHBondContact O-N 2.81Å; Y278-K280 PolarHBondContact O-N 3.32Å; K280-G282 PolarHBondContact O-N 3.03Å
281A93.3Very high95.4Very high65 Ų6544.3 Ų44.354%0.53723%0.229SC..THydrogen-bonded Turntrans-79.24.3175.800000113.9Q277 Y278 F279 R283Q277-A281 WeakPolarHBondContact O-CB 3.37Å; Q277-A281 PolarHBondContact O-N 3.36Å; Y278-A281 CarbonylContact O-C 3.53Å; Y278-A281 PolarHBondContact O-N 3.35Å; Y278-A281 VanDerWaalsContact O-N 3.16Å; F279-A281 VanDerWaalsContact C-N 3.25Å; F279-A281 PolarHBondContact O-N 3.1Å; A281-R283 HydrophobicContact CB-CG 4.16Å; A281-R283 PolarHBondContact O-N 2.97Å
282G92Very high95.5Very high43 Ų4348.2 Ų48.244%0.44325%0.246SC..THydrogen-bonded Turntrans76.31.3-176.600000114.6Y278 F279 K280 H284Y278-G282 PolarHBondContact O-N 3.45Å; F279-G282 PolarHBondContact O-N 2.98Å; F279-G282 VanDerWaalsContact O-N 3.07Å; K280-G282 PolarHBondContact O-N 3.03Å; G282-H284 VanDerWaalsContact C-N 3.26Å; G282-H284 PolarHBondContact O-CD2 3.36Å; G282-H284 VanDerWaalsContact O-CD2 3.32Å; G282-H284 PolarHBondContact O-N 3.33Å
283R91.7Very high95.4Very high91 Ų9146.2 Ų46.234%0.34324%0.237SC..  trans-8466.6-176.9-59.1-172.1-178.5-170.4-10110.6E194 Y278 A281 H285 Q286 A287E194-R283 PolarHBondContact O-NH1 2.89Å; E194-R283 IonicContact OE1-CZ 2.61Å; E194-R283 IonicContact OE1-NE 2.76Å; E194-R283 PolarHBondContact OE1-NE 3.21Å; E194-R283 IonicContact OE1-NH1 2.72Å; E194-R283 PolarHBondContact OE1-NH1 3.29Å; E194-R283 IonicContact OE1-NH2 2.74Å; E194-R283 PolarHBondContact OE1-NH2 3.42Å; Y278-R283 HydrophobicContact CD1-CB 4.18Å; Y278-R283 WeakPolarHBondContact O-CA 3.29Å; Y278-R283 WeakPolarHBondContact O-CB 3.39Å; Y278-R283 PolarHBondContact O-N 3.35Å; A281-R283 HydrophobicContact CB-CG 4.16Å; A281-R283 PolarHBondContact O-N 2.97Å; R283-H285 PolarHBondContact O-N 3.39Å; R283-Q286 HydrophobicContact CB-CB 4.41Å; R283-Q286 PolarHBondContact O-N 2.91Å; R283-Q286 PolarHBondContact O-OE1 2.89Å; R283-A287 PolarHBondContact O-N 3.14Å; R283-A287 VanDerWaalsContact O-N 3.08Å
284H94.3Very high95.4Very high41 Ų4142.8 Ų42.819%0.1922%0.216CC..Hα-helixtrans-66.8-35.8-168.3-57.3-47.6000113.7F279 G282 A287 V288 R329 L330F279-H284 AromaticContact CD2-ND1 3.61Å; F279-H284 AromaticContact CE2-CE1 3.98Å; F279-H284 AromaticContact CE2-ND1 3.68Å; G282-H284 VanDerWaalsContact C-N 3.26Å; G282-H284 PolarHBondContact O-CD2 3.36Å; G282-H284 VanDerWaalsContact O-CD2 3.32Å; G282-H284 PolarHBondContact O-N 3.33Å; H284-A287 PolarHBondContact O-N 3.37Å; H284-V288 WeakPolarHBondContact O-CG2 3.48Å; H284-V288 PolarHBondContact O-N 3.41Å; H284-R329 VanDerWaalsContact CD2-CB 3.45Å; H284-R329 WeakPolarHBondContact CD2-CB 3.29Å; H284-L330 HydrophobicContact CB-CD1 4.4Å; H284-L330 HydrophobicContact CB-CD2 3.74Å; H284-L330 HydrophobicContact CB-CG 3.9Å
285H91.8Very high95.4Very high52 Ų5241.5 Ų41.524%0.24121%0.211CC..Hα-helixtrans-63.3-42.3176.7-68.8104.1000111.9L200 R283 A287 V288 I289 L330L200-H285 HydrophobicContact CD2-CB 4.04Å; R283-H285 PolarHBondContact O-N 3.39Å; H285-A287 VanDerWaalsContact C-N 3.35Å; H285-V288 WeakPolarHBondContact O-CB 3.42Å; H285-V288 PolarHBondContact O-N 3.3Å; H285-I289 WeakPolarHBondContact O-CG1 3.48Å; H285-I289 PolarHBondContact O-N 3.43Å; H285-L330 WeakPolarHBondContact CE1-CD2 3.34Å
286Q93Very high95.2Very high18 Ų1845.3 Ų45.38%0.08424%0.238CC..Hα-helixtrans-68.5-37.4178.4-6483.4-11.100110.9E194 Y278 R283 V288 I289 Q290E194-Q286 HydrophobicContact CB-CG 3.72Å; E194-Q286 HydrophobicContact CG-CG 3.86Å; E194-Q286 PolarHBondContact OE2-NE2 2.79Å; Y278-Q286 HydrophobicContact CD1-CB 3.99Å; Y278-Q286 HydrophobicContact CD2-CB 3.69Å; Y278-Q286 HydrophobicContact CE1-CB 4.24Å; Y278-Q286 HydrophobicContact CE2-CB 3.93Å; Y278-Q286 HydrophobicContact CG-CB 3.71Å; R283-Q286 HydrophobicContact CB-CB 4.41Å; R283-Q286 PolarHBondContact O-N 2.91Å; R283-Q286 PolarHBondContact O-OE1 2.89Å; Q286-V288 VanDerWaalsContact C-N 3.33Å; Q286-V288 PolarHBondContact O-N 2.92Å; Q286-I289 PolarHBondContact O-N 2.9Å; Q286-Q290 WeakPolarHBondContact O-CG 3.5Å; Q286-Q290 PolarHBondContact O-N 3Å
287A96.8Very high95.1Very high0 Ų044.3 Ų44.30%023%0.23CC..Hα-helixtrans-60.8-41.4172.100000112.1G275 F279 R283 H284 H285 I289 Q290 Y291G275-A287 WeakPolarHBondContact O-CB 3.43Å; F279-A287 HydrophobicContact CB-CB 4.05Å; R283-A287 PolarHBondContact O-N 3.14Å; R283-A287 VanDerWaalsContact O-N 3.08Å; H284-A287 PolarHBondContact O-N 3.37Å; H285-A287 VanDerWaalsContact C-N 3.35Å; A287-I289 PolarHBondContact O-N 2.95Å; A287-Q290 PolarHBondContact O-N 3.34Å; A287-Y291 HydrophobicContact CB-CD2 4.47Å; A287-Y291 HydrophobicContact CB-CE2 4Å; A287-Y291 WeakPolarHBondContact O-CD2 3.48Å; A287-Y291 PolarHBondContact O-N 2.77Å
288V96.4Very high94.9Very high9 Ų939.2 Ų39.26%0.05521%0.206CC..Hα-helixtrans-56.6-48.1174.8167.50000111.3H284 H285 Q286 Q290 Y291 Q292 L323 C326 F327 L330H284-V288 WeakPolarHBondContact O-CG2 3.48Å; H284-V288 PolarHBondContact O-N 3.41Å; H285-V288 WeakPolarHBondContact O-CB 3.42Å; H285-V288 PolarHBondContact O-N 3.3Å; Q286-V288 VanDerWaalsContact C-N 3.33Å; Q286-V288 PolarHBondContact O-N 2.92Å; V288-Q290 VanDerWaalsContact C-N 3.3Å; V288-Q290 PolarHBondContact O-N 3.15Å; V288-Y291 PolarHBondContact O-N 3.4Å; V288-Q292 HydrophobicContact CG1-CG 4.13Å; V288-Q292 WeakPolarHBondContact O-CB 3.35Å; V288-Q292 WeakPolarHBondContact O-CG 3.26Å; V288-Q292 PolarHBondContact O-N 3.34Å; V288-L323 HydrophobicContact CB-CD2 4.02Å; V288-L323 HydrophobicContact CG1-CD2 3.79Å; V288-L323 HydrophobicContact CG2-CD2 4.03Å; V288-C326 HydrophobicContact CG2-CB 3.48Å; V288-C326 VanDerWaalsContact CG2-CB 3.48Å; V288-F327 HydrophobicContact CG1-CE1 4.05Å; V288-F327 HydrophobicContact CG1-CZ 3.75Å; V288-F327 HydrophobicContact CG2-CD1 4.4Å; V288-F327 HydrophobicContact CG2-CE1 4Å; V288-F327 HydrophobicContact CG2-CZ 4.16Å; V288-L330 HydrophobicContact CG2-CD1 4.03Å
289I94.3Very high94.7Very high22 Ų2243.9 Ų43.911%0.11323%0.228CC..Hα-helixtrans-56.1-46.4179.2-64.6167.7000110.7L200 H285 Q286 A287 Q292 R293L200-I289 HydrophobicContact CD1-CD1 4.09Å; H285-I289 WeakPolarHBondContact O-CG1 3.48Å; H285-I289 PolarHBondContact O-N 3.43Å; Q286-I289 PolarHBondContact O-N 2.9Å; A287-I289 PolarHBondContact O-N 2.95Å; I289-Q292 PolarHBondContact O-N 3.02Å; I289-R293 PolarHBondContact O-N 3.49Å; I289-R293 VanDerWaalsContact O-N 3.14Å
290Q96.8Very high94.3Very high0 Ų049.3 Ų49.30%026%0.258CS..Hα-helixtrans-64.7-45.1179.9-58.1-48.2-63.800112.3G191 V271 K274 Y278 Q286 A287 V288 R293 I294G191-Q290 PolarHBondContact O-NE2 2.93Å; V271-Q290 HydrophobicContact CG1-CB 3.9Å; V271-Q290 WeakPolarHBondContact CG1-O 3.37Å; K274-Q290 HydrophobicContact CB-CG 4.44Å; K274-Q290 HydrophobicContact CG-CG 4.29Å; Y278-Q290 HydrophobicContact CD2-CG 3.85Å; Y278-Q290 HydrophobicContact CE2-CG 3.95Å; Q286-Q290 WeakPolarHBondContact O-CG 3.5Å; Q286-Q290 PolarHBondContact O-N 3Å; A287-Q290 PolarHBondContact O-N 3.34Å; V288-Q290 VanDerWaalsContact C-N 3.3Å; V288-Q290 PolarHBondContact O-N 3.15Å; Q290-R293 WeakPolarHBondContact O-CB 3.46Å; Q290-R293 PolarHBondContact O-N 3.01Å; Q290-I294 PolarHBondContact O-N 3.44Å
291Y97.8Very high94Very high4 Ų443.4 Ų43.42%0.01623%0.234CC..Hα-helixtrans-70.8-33-179.6-60.1-52.9000113G275 N276 A287 V288 R293 I294 I295 N322 L323G275-Y291 VanDerWaalsContact C-OH 3.28Å; G275-Y291 PolarHBondContact O-OH 3.38Å; N276-Y291 WeakPolarHBondContact CA-OH 3.42Å; N276-Y291 PolarHBondContact N-OH 3.36Å; N276-Y291 PolarHBondContact OD1-OH 2.84Å; A287-Y291 HydrophobicContact CB-CD2 4.47Å; A287-Y291 HydrophobicContact CB-CE2 4Å; A287-Y291 WeakPolarHBondContact O-CD2 3.48Å; A287-Y291 PolarHBondContact O-N 2.77Å; V288-Y291 PolarHBondContact O-N 3.4Å; Y291-R293 VanDerWaalsContact C-N 3.29Å; Y291-R293 PolarHBondContact O-N 3.27Å; Y291-I294 HydrophobicContact CD1-CD1 4.21Å; Y291-I294 WeakPolarHBondContact O-CB 3.03Å; Y291-I294 PolarHBondContact O-N 3.47Å; Y291-I295 PolarHBondContact O-N 2.94Å; Y291-N322 HydrophobicContact CD1-CB 4.08Å; Y291-N322 HydrophobicContact CD2-CB 3.8Å; Y291-N322 HydrophobicContact CE1-CB 3.85Å; Y291-N322 WeakPolarHBondContact CE1-ND2 3.46Å; Y291-N322 HydrophobicContact CE2-CB 3.57Å; Y291-N322 HydrophobicContact CG-CB 4.06Å; Y291-L323 HydrophobicContact CD2-CD2 4.46Å
292Q96.2Very high93.2Very high93 Ų9344.9 Ų44.944%0.43524%0.239SC..Hα-helixtrans-62.5-37.1172.8-77.8177-28.100111.9V288 I289 I294 I295 S296 L323V288-Q292 HydrophobicContact CG1-CG 4.13Å; V288-Q292 WeakPolarHBondContact O-CB 3.35Å; V288-Q292 WeakPolarHBondContact O-CG 3.26Å; V288-Q292 PolarHBondContact O-N 3.34Å; I289-Q292 PolarHBondContact O-N 3.02Å; Q292-I294 VanDerWaalsContact C-N 3.29Å; Q292-I294 PolarHBondContact O-N 3.21Å; Q292-I295 PolarHBondContact O-N 2.91Å; Q292-S296 PolarHBondContact O-N 3.48Å; Q292-L323 HydrophobicContact CG-CD1 4.1Å; Q292-L323 HydrophobicContact CG-CD2 4.01Å
293R94.9Very high92.6Very high20 Ų2044 Ų448%0.07523%0.23CC..Hα-helixtrans-59.5-38.8175.1-170.4179-66.31781.2112.2D164 V190 V271 I289 Q290 Y291 S296 W297D164-R293 IonicContact OD1-CZ 2.86Å; D164-R293 IonicContact OD1-NH2 3.34Å; D164-R293 PolarHBondContact OD1-NH2 3.06Å; D164-R293 IonicContact OD2-CZ 3.4Å; D164-R293 IonicContact OD2-NE 3.1Å; D164-R293 PolarHBondContact OD2-NE 3.09Å; D164-R293 IonicContact OD2-NH2 3.8Å; D164-R293 PolarHBondContact OD2-NH2 3.46Å; V190-R293 PolarHBondContact O-NH2 3.31Å; V271-R293 HydrophobicContact CG1-CB 4.24Å; I289-R293 PolarHBondContact O-N 3.49Å; I289-R293 VanDerWaalsContact O-N 3.14Å; Q290-R293 WeakPolarHBondContact O-CB 3.46Å; Q290-R293 PolarHBondContact O-N 3.01Å; Y291-R293 VanDerWaalsContact C-N 3.29Å; Y291-R293 PolarHBondContact O-N 3.27Å; R293-S296 PolarHBondContact O-N 3.22Å; R293-W297 VanDerWaalsContact CD-CZ2 3.44Å; R293-W297 HydrophobicContact CG-CD2 4.04Å; R293-W297 HydrophobicContact CG-CE3 4.34Å; R293-W297 HydrophobicContact CG-CH2 3.86Å; R293-W297 HydrophobicContact CG-CZ2 3.48Å; R293-W297 VanDerWaalsContact CG-CZ2 3.48Å; R293-W297 HydrophobicContact CG-CZ3 4.26Å; R293-W297 VanDerWaalsContact O-CG 3.29Å; R293-W297 PolarHBondContact O-N 3.34Å; R293-W297 VanDerWaalsContact O-N 3.15Å
294I96.2Very high91.9Very high2 Ų245.9 Ų45.91%0.0125%0.252CS..Hα-helixtrans-61.2-47.6175.7-60.3172.8000110.8V268 V271 K272 Q290 Y291 Q292 W297 L298 A319V268-I294 HydrophobicContact CG1-CD1 4.43Å; V268-I294 HydrophobicContact CG1-CG1 4.29Å; V268-I294 HydrophobicContact CG1-CG2 3.9Å; V268-I294 HydrophobicContact CG2-CG2 4.43Å; V271-I294 HydrophobicContact CB-CG1 4.33Å; V271-I294 HydrophobicContact CG1-CD1 4.38Å; V271-I294 HydrophobicContact CG1-CG1 3.89Å; K272-I294 HydrophobicContact CB-CD1 3.8Å; Q290-I294 PolarHBondContact O-N 3.44Å; Y291-I294 HydrophobicContact CD1-CD1 4.21Å; Y291-I294 WeakPolarHBondContact O-CB 3.03Å; Y291-I294 PolarHBondContact O-N 3.47Å; Q292-I294 VanDerWaalsContact C-N 3.29Å; Q292-I294 PolarHBondContact O-N 3.21Å; I294-W297 PolarHBondContact O-N 2.87Å; I294-L298 HydrophobicContact CG2-CD1 4.11Å; I294-L298 WeakPolarHBondContact O-CB 3.44Å; I294-L298 PolarHBondContact O-N 2.79Å; I294-L298 VanDerWaalsContact O-N 3.11Å; I294-A319 HydrophobicContact CB-CB 4.09Å; I294-A319 HydrophobicContact CD1-CB 4.45Å; I294-A319 HydrophobicContact CG2-CB 4.02Å
295I95.4Very high91.6Very high16 Ų1646 Ų468%0.08226%0.264CS..Hα-helixtrans-62.4-48179.4-65.6167.2000109.9Y291 Q292 W297 L298 E299 A319 H320 L323Y291-I295 PolarHBondContact O-N 2.94Å; Q292-I295 PolarHBondContact O-N 2.91Å; I295-W297 PolarHBondContact O-N 3.31Å; I295-W297 VanDerWaalsContact O-N 3.1Å; I295-L298 PolarHBondContact O-N 2.77Å; I295-L298 VanDerWaalsContact O-N 3.13Å; I295-E299 HydrophobicContact CG2-CB 3.96Å; I295-E299 HydrophobicContact CG2-CG 4.39Å; I295-E299 WeakPolarHBondContact CG2-OE2 3.39Å; I295-E299 WeakPolarHBondContact O-CB 3.44Å; I295-E299 PolarHBondContact O-N 2.96Å; I295-A319 HydrophobicContact CD1-CB 4.25Å; I295-A319 HydrophobicContact CG1-CB 3.88Å; I295-H320 VanDerWaalsContact CD1-CE1 3.43Å; I295-H320 WeakPolarHBondContact CD1-CE1 3.4Å; I295-L323 HydrophobicContact CD1-CD1 3.33Å
296S94.1Very high91.3Very high81 Ų8151.8 Ų51.857%0.56629%0.293SS*.Hα-helixtrans-57.8-28.7179.3-177.40000113.8S256 Q292 R293S256-S296 PolarHBondContact OG-O 2.88Å; Q292-S296 PolarHBondContact O-N 3.48Å; R293-S296 PolarHBondContact O-N 3.22Å
297W93.9Very high91.1Very high33 Ų3359.2 Ų59.213%0.12533%0.328CS..Hα-helixtrans-84.4-35178.2-67.7-16.3000113.5M259 K264 L267 V268 V271 R293 I294 I295 E301M259-W297 HydrophobicContact CE-CD2 4.25Å; M259-W297 HydrophobicContact CE-CG 4.3Å; M259-W297 HydrophobicContact CE-CZ2 4.18Å; K264-W297 HydrophobicContact CD-CB 4.31Å; K264-W297 WeakPolarHBondContact CD-O 3.49Å; K264-W297 HydrophobicContact CG-CB 4.42Å; K264-W297 PolarHBondContact NZ-O 2.75Å; L267-W297 HydrophobicContact CB-CH2 4.03Å; L267-W297 HydrophobicContact CB-CZ3 3.69Å; L267-W297 HydrophobicContact CD1-CH2 4.28Å; V268-W297 HydrophobicContact CG2-CE3 3.87Å; V268-W297 HydrophobicContact CG2-CZ3 4.4Å; V271-W297 HydrophobicContact CG2-CH2 3.81Å; V271-W297 HydrophobicContact CG2-CZ3 3.69Å; R293-W297 VanDerWaalsContact CD-CZ2 3.44Å; R293-W297 HydrophobicContact CG-CD2 4.04Å; R293-W297 HydrophobicContact CG-CE3 4.34Å; R293-W297 HydrophobicContact CG-CH2 3.86Å; R293-W297 HydrophobicContact CG-CZ2 3.48Å; R293-W297 VanDerWaalsContact CG-CZ2 3.48Å; R293-W297 HydrophobicContact CG-CZ3 4.26Å; R293-W297 VanDerWaalsContact O-CG 3.29Å; R293-W297 PolarHBondContact O-N 3.34Å; R293-W297 VanDerWaalsContact O-N 3.15Å; I294-W297 PolarHBondContact O-N 2.87Å; I295-W297 PolarHBondContact O-N 3.31Å; I295-W297 VanDerWaalsContact O-N 3.1Å; W297-E301 VanDerWaalsContact O-CG 3.29Å; W297-E301 WeakPolarHBondContact O-CG 3.47Å
298L94.4Very high90.6Very high1 Ų160.9 Ų60.91%0.00534%0.336CS..Hα-helixtrans-113.5-20.2-164-68-170.2000115.2L261 K264 L265 V268 I294 I295 L300 E301 I312 Y315 V316L261-L298 HydrophobicContact CD1-CD2 4.33Å; K264-L298 HydrophobicContact CB-CD2 4.23Å; L265-L298 HydrophobicContact CD2-CD2 4.33Å; V268-L298 HydrophobicContact CG1-CD1 4.2Å; V268-L298 HydrophobicContact CG2-CD1 3.8Å; V268-L298 HydrophobicContact CG2-CD2 4.4Å; V268-L298 HydrophobicContact CG2-CG 4.06Å; I294-L298 HydrophobicContact CG2-CD1 4.11Å; I294-L298 WeakPolarHBondContact O-CB 3.44Å; I294-L298 PolarHBondContact O-N 2.79Å; I294-L298 VanDerWaalsContact O-N 3.11Å; I295-L298 PolarHBondContact O-N 2.77Å; I295-L298 VanDerWaalsContact O-N 3.13Å; L298-L300 PolarHBondContact O-N 2.79Å; L298-E301 HydrophobicContact CD2-CG 4.49Å; L298-E301 WeakPolarHBondContact O-CB 3.41Å; L298-E301 PolarHBondContact O-N 3.33Å; L298-I312 HydrophobicContact CB-CG2 4.03Å; L298-Y315 HydrophobicContact CD1-CD2 4.28Å; L298-Y315 HydrophobicContact CD1-CG 4.24Å; L298-V316 HydrophobicContact CB-CG2 3.62Å
299E90.9Very high90.3Very high105 Ų10564.8 Ų64.849%0.49135%0.353SS..THydrogen-bonded Turntrans-59.5-32.6-172.1-176.7174.6-157.200113.2I295I295-E299 HydrophobicContact CG2-CB 3.96Å; I295-E299 HydrophobicContact CG2-CG 4.39Å; I295-E299 WeakPolarHBondContact CG2-OE2 3.39Å; I295-E299 WeakPolarHBondContact O-CB 3.44Å; I295-E299 PolarHBondContact O-N 2.96Å
300L89.8Confident90.2Very high158 Ų15870.2 Ų70.283%0.82738%0.376SS*.THydrogen-bonded Turntrans-98.22.7-179.7-60.9-178.4000113.6L298L298-L300 PolarHBondContact O-N 2.79Å
301E89.2Confident89.9Confident58 Ų5875.2 Ų75.227%0.27140%0.397SS..  trans-88.9125.2-176.1-64.8-63.2154.200111.5L261 K264 W297 L298 I312L261-E301 HydrophobicContact CD1-CB 4.12Å; L261-E301 HydrophobicContact CD1-CG 4.17Å; K264-E301 HydrophobicContact CD-CG 4.4Å; K264-E301 IonicContact NZ-OE1 3.74Å; K264-E301 PolarHBondContact NZ-OE1 3Å; W297-E301 VanDerWaalsContact O-CG 3.29Å; W297-E301 WeakPolarHBondContact O-CG 3.47Å; L298-E301 HydrophobicContact CD2-CG 4.49Å; L298-E301 WeakPolarHBondContact O-CB 3.41Å; L298-E301 PolarHBondContact O-N 3.33Å; E301-I312 HydrophobicContact CB-CD1 4.14Å; E301-I312 HydrophobicContact CB-CG2 4.33Å
302C77.1Confident89.7Confident95 Ų9575.1 Ų75.164%0.64240%0.397SS*.  trans-90.5-24.8-179.3-63.80000113.5H309C302-H309 WeakPolarHBondContact O-CB 3.32Å; C302-H309 PolarHBondContact O-ND1 3.2Å
303G79.4Confident89.6Confident25 Ų2572.6 Ų72.626%0.25839%0.385SS..  trans72.2165-173.600000114.5
304T78.1Confident89.5Confident130 Ų13075.6 Ų75.680%0.79840%0.403SS*.SBendtrans-102.369175.656.50000109.8Q308T304-Q308 PolarHBondContact OG1-OE1 3.23Å
305G86.6Confident89.5Confident43 Ų4377.3 Ų77.344%0.44341%0.41SS..SBendtrans127.1164.4175.300000114.5E307 Q308 H309G305-E307 VanDerWaalsContact C-N 3.35Å; G305-E307 PolarHBondContact O-N 3.26Å; G305-Q308 PolarHBondContact O-N 3.45Å; G305-H309 VanDerWaalsContact O-CB 3.32Å; G305-H309 WeakPolarHBondContact O-CB 3.41Å; G305-H309 PolarHBondContact O-N 3.34Å
306M86Confident89.5Confident175 Ų17577 Ų7786%0.86241%0.408SS*.Hα-helixtrans-61.5-37.6-173.6-72.7-168.6-77.500113.6K310M306-K310 VanDerWaalsContact O-CB 3.31Å; M306-K310 WeakPolarHBondContact O-CB 3.45Å; M306-K310 PolarHBondContact O-N 3.4Å
307E88.1Confident89.6Confident173 Ų17374.3 Ų74.381%0.80839%0.388SS*.Hα-helixtrans-68.6-45.2-178.5-172.2178.6-179.900111.9G305 K310 K311G305-E307 VanDerWaalsContact C-N 3.35Å; G305-E307 PolarHBondContact O-N 3.26Å; E307-K310 PolarHBondContact O-N 3.3Å; E307-K311 WeakPolarHBondContact O-CB 3.33Å; E307-K311 PolarHBondContact O-N 2.92Å
308Q87.3Confident89.8Confident36 Ų3674.7 Ų74.717%0.16839%0.394CS..Hα-helixtrans-68.6-40.9177.8-165.1176.826.400111.1L261 L265 T304 G305 K310 K311 I312L261-Q308 VanDerWaalsContact CD2-CD 3.47Å; L261-Q308 HydrophobicContact CD2-CG 4.21Å; L265-Q308 HydrophobicContact CD1-CG 4.19Å; T304-Q308 PolarHBondContact OG1-OE1 3.23Å; G305-Q308 PolarHBondContact O-N 3.45Å; Q308-K310 VanDerWaalsContact C-N 3.34Å; Q308-K310 PolarHBondContact O-N 3.02Å; Q308-K311 WeakPolarHBondContact O-CB 3.44Å; Q308-K311 PolarHBondContact O-N 3.41Å; Q308-I312 HydrophobicContact CG-CD1 4.31Å; Q308-I312 VanDerWaalsContact O-CG1 3.26Å; Q308-I312 WeakPolarHBondContact O-CG1 3.34Å; Q308-I312 PolarHBondContact O-N 2.93Å
309H89.9Confident90Very high90 Ų9074.7 Ų74.742%0.41739%0.394SS..Hα-helixtrans-57.1-47.6173.5-174.769.8000111.5C302 G305 K311 I312 Q313C302-H309 WeakPolarHBondContact O-CB 3.32Å; C302-H309 PolarHBondContact O-ND1 3.2Å; G305-H309 VanDerWaalsContact O-CB 3.32Å; G305-H309 WeakPolarHBondContact O-CB 3.41Å; G305-H309 PolarHBondContact O-N 3.34Å; H309-K311 VanDerWaalsContact C-N 3.34Å; H309-K311 PolarHBondContact O-N 3.04Å; H309-I312 PolarHBondContact O-N 2.94Å; H309-Q313 WeakPolarHBondContact O-CB 3.28Å; H309-Q313 PolarHBondContact O-N 2.91Å
310K91.3Very high90.3Very high136 Ų13670.4 Ų70.459%0.59137%0.374SS*.Hα-helixtrans-59.6-43.5175.6-175178178.9-179.90111.9M306 E307 Q308 I312 Q313 D314M306-K310 VanDerWaalsContact O-CB 3.31Å; M306-K310 WeakPolarHBondContact O-CB 3.45Å; M306-K310 PolarHBondContact O-N 3.4Å; E307-K310 PolarHBondContact O-N 3.3Å; Q308-K310 VanDerWaalsContact C-N 3.34Å; Q308-K310 PolarHBondContact O-N 3.02Å; K310-I312 PolarHBondContact O-N 2.86Å; K310-Q313 PolarHBondContact O-N 3.15Å; K310-D314 WeakPolarHBondContact O-CB 3.4Å; K310-D314 PolarHBondContact O-N 3.46Å
311K91.4Very high90.7Very high105 Ų10563.9 Ų63.946%0.45734%0.34SS..Hα-helixtrans-62-42.6177.4-174.9178.8178.9-1780112.4E307 Q308 H309 D314 Y315E307-K311 WeakPolarHBondContact O-CB 3.33Å; E307-K311 PolarHBondContact O-N 2.92Å; Q308-K311 WeakPolarHBondContact O-CB 3.44Å; Q308-K311 PolarHBondContact O-N 3.41Å; H309-K311 VanDerWaalsContact C-N 3.34Å; H309-K311 PolarHBondContact O-N 3.04Å; K311-D314 PolarHBondContact O-N 3.06Å; K311-Y315 HydrophobicContact CG-CD2 4.25Å; K311-Y315 HydrophobicContact CG-CE2 3.94Å; K311-Y315 WeakPolarHBondContact O-CD2 3.5Å; K311-Y315 PolarHBondContact O-N 3.43Å
312I93.2Very high91.2Very high3 Ų362.7 Ų62.72%0.01534%0.335CS..Hα-helixtrans-60.7-50.3174.9-67.9164.1000109.5L261 L265 L298 E301 Q308 H309 K310 D314 Y315 V316L261-I312 HydrophobicContact CD1-CD1 3.83Å; L261-I312 HydrophobicContact CD1-CG1 4.27Å; L261-I312 HydrophobicContact CD2-CD1 4Å; L265-I312 HydrophobicContact CD2-CG1 4.23Å; L298-I312 HydrophobicContact CB-CG2 4.03Å; E301-I312 HydrophobicContact CB-CD1 4.14Å; E301-I312 HydrophobicContact CB-CG2 4.33Å; Q308-I312 HydrophobicContact CG-CD1 4.31Å; Q308-I312 VanDerWaalsContact O-CG1 3.26Å; Q308-I312 WeakPolarHBondContact O-CG1 3.34Å; Q308-I312 PolarHBondContact O-N 2.93Å; H309-I312 PolarHBondContact O-N 2.94Å; K310-I312 PolarHBondContact O-N 2.86Å; I312-D314 VanDerWaalsContact C-N 3.33Å; I312-D314 PolarHBondContact O-N 2.9Å; I312-Y315 WeakPolarHBondContact O-CB 3.29Å; I312-Y315 PolarHBondContact O-N 2.99Å; I312-Y315 VanDerWaalsContact O-N 3.1Å; I312-V316 HydrophobicContact CG2-CG2 4.46Å; I312-V316 WeakPolarHBondContact O-CG2 3.4Å; I312-V316 PolarHBondContact O-N 3.11Å
313Q93.6Very high92.2Very high39 Ų3958.3 Ų58.318%0.18231%0.305CS..Hα-helixtrans-58.6-44.1179.5-169.362.923.900111.7H309 K310 Y315 V316 L317 H346H309-Q313 WeakPolarHBondContact O-CB 3.28Å; H309-Q313 PolarHBondContact O-N 2.91Å; K310-Q313 PolarHBondContact O-N 3.15Å; Q313-Y315 VanDerWaalsContact C-N 3.28Å; Q313-Y315 PolarHBondContact O-N 3.37Å; Q313-V316 PolarHBondContact O-N 2.85Å; Q313-L317 HydrophobicContact CG-CD1 3.91Å; Q313-L317 HydrophobicContact CG-CG 4.18Å; Q313-L317 WeakPolarHBondContact O-CB 3.46Å; Q313-L317 VanDerWaalsContact O-CG 3.27Å; Q313-L317 WeakPolarHBondContact O-CG 3.28Å; Q313-L317 PolarHBondContact O-N 3.45Å; Q313-H346 PolarHBondContact NE2-CD2 3.2Å; Q313-H346 PolarHBondContact NE2-CE1 3.22Å; Q313-H346 PolarHBondContact NE2-ND1 3.24Å; Q313-H346 PolarHBondContact NE2-NE2 3.08Å; Q313-H346 VanDerWaalsContact NE2-NE2 3.19Å
314D93.9Very high93.1Very high83 Ų8357.1 Ų57.144%0.44429%0.293SS..Hα-helixtrans-59.2-38.9177.1-73.3-17.9000111.9K310 K311 I312 T318K310-D314 WeakPolarHBondContact O-CB 3.4Å; K310-D314 PolarHBondContact O-N 3.46Å; K311-D314 PolarHBondContact O-N 3.06Å; I312-D314 VanDerWaalsContact C-N 3.33Å; I312-D314 PolarHBondContact O-N 2.9Å; D314-T318 WeakPolarHBondContact O-CB 3.09Å; D314-T318 PolarHBondContact O-N 3.14Å; D314-T318 PolarHBondContact O-OG1 3.17Å
315Y96Very high94Very high38 Ų3852.5 Ų52.515%0.14926%0.263CS..Hα-helixtrans-66.9-46.8174.7-80.9-59000112.6L265 V268 S269 K272 L298 K311 I312 Q313 T318 A319L265-Y315 HydrophobicContact CD2-CD2 4.17Å; L265-Y315 HydrophobicContact CD2-CE2 4.19Å; V268-Y315 HydrophobicContact CG1-CD1 3.49Å; V268-Y315 VanDerWaalsContact CG1-CD1 3.49Å; V268-Y315 HydrophobicContact CG1-CD2 4.11Å; V268-Y315 HydrophobicContact CG1-CE1 3.77Å; V268-Y315 HydrophobicContact CG1-CE2 4.33Å; V268-Y315 HydrophobicContact CG1-CG 3.69Å; S269-Y315 PolarHBondContact OG-OH 2.91Å; K272-Y315 HydrophobicContact CD-CD1 4.37Å; K272-Y315 HydrophobicContact CD-CE1 4.23Å; L298-Y315 HydrophobicContact CD1-CD2 4.28Å; L298-Y315 HydrophobicContact CD1-CG 4.24Å; K311-Y315 HydrophobicContact CG-CD2 4.25Å; K311-Y315 HydrophobicContact CG-CE2 3.94Å; K311-Y315 WeakPolarHBondContact O-CD2 3.5Å; K311-Y315 PolarHBondContact O-N 3.43Å; I312-Y315 WeakPolarHBondContact O-CB 3.29Å; I312-Y315 PolarHBondContact O-N 2.99Å; I312-Y315 VanDerWaalsContact O-N 3.1Å; Q313-Y315 VanDerWaalsContact C-N 3.28Å; Q313-Y315 PolarHBondContact O-N 3.37Å; Y315-T318 PolarHBondContact O-N 2.88Å; Y315-A319 WeakPolarHBondContact O-CB 3.49Å; Y315-A319 PolarHBondContact O-N 3.41Å
316V96.3Very high94.6Very high9 Ų950.4 Ų50.46%0.05524%0.242CC..Hα-helixtrans-62.3-48.6-180172.50000110.7L298 I312 Q313 T318 A319 H320L298-V316 HydrophobicContact CB-CG2 3.62Å; I312-V316 HydrophobicContact CG2-CG2 4.46Å; I312-V316 WeakPolarHBondContact O-CG2 3.4Å; I312-V316 PolarHBondContact O-N 3.11Å; Q313-V316 PolarHBondContact O-N 2.85Å; V316-T318 VanDerWaalsContact C-N 3.34Å; V316-T318 PolarHBondContact O-N 2.88Å; V316-A319 WeakPolarHBondContact O-CB 3.2Å; V316-A319 PolarHBondContact O-N 3.37Å; V316-A319 VanDerWaalsContact O-N 3.14Å; V316-H320 PolarHBondContact O-CD2 3.18Å; V316-H320 PolarHBondContact O-N 3.29Å
317L96.4Very high95.2Very high25 Ų2542.3 Ų42.313%0.13120%0.202CC..Hα-helixtrans-62.4-40.6177.2-65.6179.1000111.9Q313 A319 H320 L321 V343 H346Q313-L317 HydrophobicContact CG-CD1 3.91Å; Q313-L317 HydrophobicContact CG-CG 4.18Å; Q313-L317 WeakPolarHBondContact O-CB 3.46Å; Q313-L317 VanDerWaalsContact O-CG 3.27Å; Q313-L317 WeakPolarHBondContact O-CG 3.28Å; Q313-L317 PolarHBondContact O-N 3.45Å; L317-A319 VanDerWaalsContact C-N 3.33Å; L317-A319 PolarHBondContact O-N 2.83Å; L317-H320 PolarHBondContact O-N 2.93Å; L317-L321 WeakPolarHBondContact O-CB 3.43Å; L317-L321 WeakPolarHBondContact O-CG 3.48Å; L317-L321 PolarHBondContact O-N 2.85Å; L317-V343 HydrophobicContact CD2-CB 4.47Å; L317-V343 HydrophobicContact CD2-CG1 4.43Å; L317-V343 HydrophobicContact CD2-CG2 4.47Å; L317-H346 HydrophobicContact CD1-CB 4.15Å; L317-H346 HydrophobicContact CD2-CB 3.9Å
318T97.1Very high95.6Very high42 Ų4234.8 Ų34.826%0.25817%0.167SC..Hα-helixtrans-62.3-41174.5-63.10000111.6D314 Y315 V316 L321 N322D314-T318 WeakPolarHBondContact O-CB 3.09Å; D314-T318 PolarHBondContact O-N 3.14Å; D314-T318 PolarHBondContact O-OG1 3.17Å; Y315-T318 PolarHBondContact O-N 2.88Å; V316-T318 VanDerWaalsContact C-N 3.34Å; V316-T318 PolarHBondContact O-N 2.88Å; T318-L321 PolarHBondContact O-N 2.82Å; T318-N322 WeakPolarHBondContact O-CB 3.43Å; T318-N322 VanDerWaalsContact O-CG 3.3Å; T318-N322 PolarHBondContact O-N 3.38Å; T318-N322 PolarHBondContact O-ND2 3.43Å
319A97.9Very high96Very high1 Ų140.1 Ų40.11%0.00819%0.186CC..Hα-helixtrans-64.4-47.5178.200000111.4I294 I295 Y315 V316 L317 L321 N322 L323I294-A319 HydrophobicContact CB-CB 4.09Å; I294-A319 HydrophobicContact CD1-CB 4.45Å; I294-A319 HydrophobicContact CG2-CB 4.02Å; I295-A319 HydrophobicContact CD1-CB 4.25Å; I295-A319 HydrophobicContact CG1-CB 3.88Å; Y315-A319 WeakPolarHBondContact O-CB 3.49Å; Y315-A319 PolarHBondContact O-N 3.41Å; V316-A319 WeakPolarHBondContact O-CB 3.2Å; V316-A319 PolarHBondContact O-N 3.37Å; V316-A319 VanDerWaalsContact O-N 3.14Å; L317-A319 VanDerWaalsContact C-N 3.33Å; L317-A319 PolarHBondContact O-N 2.83Å; A319-L321 PolarHBondContact O-N 3.27Å; A319-N322 PolarHBondContact O-N 2.87Å; A319-L323 WeakPolarHBondContact O-CB 3.03Å; A319-L323 WeakPolarHBondContact O-CG 3.27Å; A319-L323 PolarHBondContact O-N 3.19Å
320H98.4Very high96.2Very high15 Ų1537.6 Ų37.67%0.06918%0.175CC..Hα-helixtrans-60.1-43.7175.1-79.3-62.8000112.8I295 V316 L317 N322 L323 A324 N339 V343I295-H320 VanDerWaalsContact CD1-CE1 3.43Å; I295-H320 WeakPolarHBondContact CD1-CE1 3.4Å; V316-H320 PolarHBondContact O-CD2 3.18Å; V316-H320 PolarHBondContact O-N 3.29Å; L317-H320 PolarHBondContact O-N 2.93Å; H320-N322 VanDerWaalsContact C-N 3.34Å; H320-N322 PolarHBondContact O-N 3.27Å; H320-L323 PolarHBondContact O-N 3.47Å; H320-A324 PolarHBondContact O-N 3.46Å; H320-N339 PolarHBondContact ND1-OD1 2.78Å; H320-V343 HydrophobicContact CB-CG2 3.57Å
321L98.1Very high96.3Very high20 Ų2038.6 Ų38.611%0.10518%0.179CC..Hα-helixtrans-56.3-50.5174.4-82.2175.8000110.8L317 T318 A319 A324 L325 V343 K352 A353 R356L317-L321 WeakPolarHBondContact O-CB 3.43Å; L317-L321 WeakPolarHBondContact O-CG 3.48Å; L317-L321 PolarHBondContact O-N 2.85Å; T318-L321 PolarHBondContact O-N 2.82Å; A319-L321 PolarHBondContact O-N 3.27Å; L321-A324 PolarHBondContact O-N 2.99Å; L321-L325 PolarHBondContact O-N 3.23Å; L321-V343 HydrophobicContact CD1-CG1 4.4Å; L321-V343 HydrophobicContact CD2-CB 4.43Å; L321-V343 HydrophobicContact CD2-CG1 4.01Å; L321-V343 HydrophobicContact CD2-CG2 4.08Å; L321-V343 HydrophobicContact CG-CG1 4.01Å; L321-V343 HydrophobicContact CG-CG2 3.82Å; L321-K352 HydrophobicContact CD2-CB 4.08Å; L321-A353 HydrophobicContact CD2-CB 3.78Å; L321-R356 PolarHBondContact O-NH1 3.2Å
322N98.3Very high96.5Very high33 Ų3336.7 Ų36.718%0.17617%0.172CC..Hα-helixtrans-65.4-38.1-179.1-70.7-18.1000112.4Y291 T318 A319 H320 L325 C326Y291-N322 HydrophobicContact CD1-CB 4.08Å; Y291-N322 HydrophobicContact CD2-CB 3.8Å; Y291-N322 HydrophobicContact CE1-CB 3.85Å; Y291-N322 WeakPolarHBondContact CE1-ND2 3.46Å; Y291-N322 HydrophobicContact CE2-CB 3.57Å; Y291-N322 HydrophobicContact CG-CB 4.06Å; T318-N322 WeakPolarHBondContact O-CB 3.43Å; T318-N322 VanDerWaalsContact O-CG 3.3Å; T318-N322 PolarHBondContact O-N 3.38Å; T318-N322 PolarHBondContact O-ND2 3.43Å; A319-N322 PolarHBondContact O-N 2.87Å; H320-N322 VanDerWaalsContact C-N 3.34Å; H320-N322 PolarHBondContact O-N 3.27Å; N322-L325 WeakPolarHBondContact O-CB 3.41Å; N322-L325 PolarHBondContact O-N 2.9Å; N322-C326 PolarHBondContact O-N 3.37Å; N322-C326 PolarHBondContact O-SG 3.49Å; N322-C326 VanDerWaalsContact O-SG 3.33Å
323L98.3Very high96.7Very high3 Ų338.4 Ų38.42%0.01618%0.18CC..Hα-helixtrans-60-46.1172.5-78.3169.9000112.2V288 Y291 Q292 I295 A319 H320 L325 C326 F327 N339V288-L323 HydrophobicContact CB-CD2 4.02Å; V288-L323 HydrophobicContact CG1-CD2 3.79Å; V288-L323 HydrophobicContact CG2-CD2 4.03Å; Y291-L323 HydrophobicContact CD2-CD2 4.46Å; Q292-L323 HydrophobicContact CG-CD1 4.1Å; Q292-L323 HydrophobicContact CG-CD2 4.01Å; I295-L323 HydrophobicContact CD1-CD1 3.33Å; A319-L323 WeakPolarHBondContact O-CB 3.03Å; A319-L323 WeakPolarHBondContact O-CG 3.27Å; A319-L323 PolarHBondContact O-N 3.19Å; H320-L323 PolarHBondContact O-N 3.47Å; L323-L325 PolarHBondContact O-N 2.87Å; L323-C326 WeakPolarHBondContact O-CB 3.41Å; L323-C326 PolarHBondContact O-N 3.08Å; L323-F327 HydrophobicContact CB-CD2 4.25Å; L323-F327 HydrophobicContact CB-CE2 4.03Å; L323-F327 HydrophobicContact CD2-CE2 4.05Å; L323-F327 HydrophobicContact CD2-CZ 4.39Å; L323-F327 WeakPolarHBondContact O-CD2 3.48Å; L323-F327 PolarHBondContact O-N 2.85Å; L323-N339 HydrophobicContact CB-CB 4.49Å
324A98.3Very high96.9Very high0 Ų039.6 Ų39.60%019%0.192CC..Hα-helixtrans-56.9-39.5176.500000111.8H320 L321 L328 N339 C340H320-A324 PolarHBondContact O-N 3.46Å; L321-A324 PolarHBondContact O-N 2.99Å; A324-L328 WeakPolarHBondContact O-CG 3.48Å; A324-L328 PolarHBondContact O-N 3.24Å; A324-N339 HydrophobicContact CB-CB 3.98Å; A324-C340 WeakPolarHBondContact CB-SG 3.48Å
325L98.3Very high97Very high33 Ų3339.4 Ų39.417%0.17319%0.189CC..Hα-helixtrans-67.1-42.8174.6-176.961.9000112.3F279 L321 N322 L323 L328 R329F279-L325 HydrophobicContact CE1-CD2 3.8Å; F279-L325 HydrophobicContact CE1-CG 4.43Å; F279-L325 HydrophobicContact CE2-CD2 3.96Å; F279-L325 HydrophobicContact CE2-CG 3.79Å; F279-L325 HydrophobicContact CZ-CD1 4.34Å; F279-L325 HydrophobicContact CZ-CD2 3.35Å; F279-L325 HydrophobicContact CZ-CG 3.5Å; F279-L325 VanDerWaalsContact CZ-CG 3.5Å; L321-L325 PolarHBondContact O-N 3.23Å; N322-L325 WeakPolarHBondContact O-CB 3.41Å; N322-L325 PolarHBondContact O-N 2.9Å; L323-L325 PolarHBondContact O-N 2.87Å; L325-L328 PolarHBondContact O-N 3.44Å; L325-R329 WeakPolarHBondContact O-CG 3.42Å; L325-R329 PolarHBondContact O-N 3.48Å
326C98.1Very high97.1Very high0 Ų037.6 Ų37.60%018%0.182CC..Hα-helixtrans-59.1-48.1174.8-66.80000111.6F279 V288 N322 L323 L328 R329 L330F279-C326 VanDerWaalsContact CD2-SG 3.56Å; V288-C326 HydrophobicContact CG2-CB 3.48Å; V288-C326 VanDerWaalsContact CG2-CB 3.48Å; N322-C326 PolarHBondContact O-N 3.37Å; N322-C326 PolarHBondContact O-SG 3.49Å; N322-C326 VanDerWaalsContact O-SG 3.33Å; L323-C326 WeakPolarHBondContact O-CB 3.41Å; L323-C326 PolarHBondContact O-N 3.08Å; C326-L328 VanDerWaalsContact C-N 3.32Å; C326-L328 PolarHBondContact O-N 3.32Å; C326-R329 WeakPolarHBondContact O-CA 3.39Å; C326-R329 WeakPolarHBondContact O-CB 3.37Å; C326-R329 PolarHBondContact O-N 3.05Å; C326-L330 WeakPolarHBondContact O-CG 3.5Å; C326-L330 PolarHBondContact O-N 3.31Å
327F98.1Very high97.2Very high5 Ų537.5 Ų37.52%0.02218%0.181CC..Hα-helixtrans-65.3-33.3-179.5-70.2-53.2000113V288 L323 R329 L330 K331 E332 Q335 A336 N339V288-F327 HydrophobicContact CG1-CE1 4.05Å; V288-F327 HydrophobicContact CG1-CZ 3.75Å; V288-F327 HydrophobicContact CG2-CD1 4.4Å; V288-F327 HydrophobicContact CG2-CE1 4Å; V288-F327 HydrophobicContact CG2-CZ 4.16Å; L323-F327 HydrophobicContact CB-CD2 4.25Å; L323-F327 HydrophobicContact CB-CE2 4.03Å; L323-F327 HydrophobicContact CD2-CE2 4.05Å; L323-F327 HydrophobicContact CD2-CZ 4.39Å; L323-F327 WeakPolarHBondContact O-CD2 3.48Å; L323-F327 PolarHBondContact O-N 2.85Å; F327-R329 VanDerWaalsContact C-N 3.31Å; F327-R329 PolarHBondContact O-N 2.94Å; F327-L330 HydrophobicContact CD1-CD1 4.32Å; F327-L330 CarbonylContact O-C 3.52Å; F327-L330 PolarHBondContact O-N 3.21Å; F327-K331 PolarHBondContact O-N 2.8Å; F327-E332 HydrophobicContact CB-CB 4.38Å; F327-E332 HydrophobicContact CD1-CB 3.97Å; F327-E332 VanDerWaalsContact CD1-OE2 3.32Å; F327-E332 WeakPolarHBondContact CD1-OE2 3.46Å; F327-E332 WeakPolarHBondContact CE1-OE2 3.46Å; F327-E332 PolarHBondContact O-N 2.61Å; F327-Q335 HydrophobicContact CB-CB 4.38Å; F327-Q335 HydrophobicContact CD1-CB 4.03Å; F327-Q335 VanDerWaalsContact CD1-OE1 3.26Å; F327-Q335 HydrophobicContact CD2-CB 3.76Å; F327-Q335 HydrophobicContact CE1-CB 4.23Å; F327-Q335 HydrophobicContact CE2-CB 3.97Å; F327-Q335 HydrophobicContact CG-CB 3.8Å; F327-Q335 HydrophobicContact CZ-CB 4.21Å; F327-A336 HydrophobicContact CB-CB 3.86Å; F327-N339 WeakPolarHBondContact CE2-ND2 3.44Å
328L97.4Very high97.3Very high15 Ų1540.8 Ų40.88%0.07920%0.199CC..Hα-helixtrans-59.3-41.3169-79171.1000112.1A324 L325 C326 K331 F333 A336 R356 E359 A360A324-L328 WeakPolarHBondContact O-CG 3.48Å; A324-L328 PolarHBondContact O-N 3.24Å; L325-L328 PolarHBondContact O-N 3.44Å; C326-L328 VanDerWaalsContact C-N 3.32Å; C326-L328 PolarHBondContact O-N 3.32Å; L328-K331 PolarHBondContact O-N 3.14Å; L328-F333 HydrophobicContact CD2-CD1 4.21Å; L328-A336 HydrophobicContact CD2-CB 4.34Å; L328-A336 HydrophobicContact CG-CB 4.08Å; L328-R356 HydrophobicContact CD1-CB 3.81Å; L328-R356 HydrophobicContact CD1-CG 3.86Å; L328-E359 HydrophobicContact CD2-CB 4.3Å; L328-E359 HydrophobicContact CD2-CG 4.12Å; L328-A360 HydrophobicContact CD2-CB 3.79Å
329R96.3Very high97.4Very high147 Ų14739.7 Ų39.756%0.55519%0.191SC*.Hα-helixtrans-69.7-37.6176.4-60.1-59179.7-168-1.4112.3F279 H284 L325 C326 F327 K331F279-R329 HydrophobicContact CE2-CG 4.14Å; F279-R329 HydrophobicContact CZ-CG 4.28Å; H284-R329 VanDerWaalsContact CD2-CB 3.45Å; H284-R329 WeakPolarHBondContact CD2-CB 3.29Å; L325-R329 WeakPolarHBondContact O-CG 3.42Å; L325-R329 PolarHBondContact O-N 3.48Å; C326-R329 WeakPolarHBondContact O-CA 3.39Å; C326-R329 WeakPolarHBondContact O-CB 3.37Å; C326-R329 PolarHBondContact O-N 3.05Å; F327-R329 VanDerWaalsContact C-N 3.31Å; F327-R329 PolarHBondContact O-N 2.94Å; R329-K331 PolarHBondContact O-N 2.84Å
330L92.9Very high97.4Very high37 Ų3739.7 Ų39.719%0.19419%0.191CC..Hα-helixtrans-75-7.3175.4-65.1177.2000113.7H284 H285 V288 C326 F327 E332H284-L330 HydrophobicContact CB-CD1 4.4Å; H284-L330 HydrophobicContact CB-CD2 3.74Å; H284-L330 HydrophobicContact CB-CG 3.9Å; H285-L330 WeakPolarHBondContact CE1-CD2 3.34Å; V288-L330 HydrophobicContact CG2-CD1 4.03Å; C326-L330 WeakPolarHBondContact O-CG 3.5Å; C326-L330 PolarHBondContact O-N 3.31Å; F327-L330 HydrophobicContact CD1-CD1 4.32Å; F327-L330 CarbonylContact O-C 3.52Å; F327-L330 PolarHBondContact O-N 3.21Å; L330-E332 HydrophobicContact CB-CG 4.3Å; L330-E332 PolarHBondContact O-N 2.89Å
331K95.1Very high97.4Very high157 Ų15741 Ų4168%0.68320%0.198SC*.THydrogen-bonded Turntrans63.221.4-174.9-51.4175.2-176172.30113.8F327 L328 R329 F333F327-K331 PolarHBondContact O-N 2.8Å; L328-K331 PolarHBondContact O-N 3.14Å; R329-K331 PolarHBondContact O-N 2.84Å; K331-F333 VanDerWaalsContact C-N 3.29Å; K331-F333 HydrophobicContact CB-CE1 4.25Å; K331-F333 HydrophobicContact CB-CE2 4.09Å; K331-F333 HydrophobicContact CB-CZ 3.71Å; K331-F333 HydrophobicContact CG-CZ 4.12Å; K331-F333 WeakPolarHBondContact O-CD2 3.12Å; K331-F333 PolarHBondContact O-N 3.46Å; K331-F333 VanDerWaalsContact O-N 3.15Å
332E95.4Very high97.3Very high65 Ų6544 Ų4430%0.30421%0.211SC..  trans-89.167174.6-67.3-178.4158.900109.4F327 L330 S334 Q335 A336F327-E332 HydrophobicContact CB-CB 4.38Å; F327-E332 HydrophobicContact CD1-CB 3.97Å; F327-E332 VanDerWaalsContact CD1-OE2 3.32Å; F327-E332 WeakPolarHBondContact CD1-OE2 3.46Å; F327-E332 WeakPolarHBondContact CE1-OE2 3.46Å; F327-E332 PolarHBondContact O-N 2.61Å; L330-E332 HydrophobicContact CB-CG 4.3Å; L330-E332 PolarHBondContact O-N 2.89Å; E332-S334 VanDerWaalsContact C-N 3.3Å; E332-S334 PolarHBondContact O-N 2.93Å; E332-Q335 PolarHBondContact O-N 3.21Å; E332-Q335 PolarHBondContact OE2-OE1 2.9Å; E332-A336 PolarHBondContact O-N 3.26Å
333F97.7Very high97.3Very high40 Ų4042.4 Ų42.418%0.17520%0.202CC..Hα-helixtrans-63.1-29.7-166.7-54.5-57.5000114.5L328 K331 A336 V337 A360 R363 R364L328-F333 HydrophobicContact CD2-CD1 4.21Å; K331-F333 VanDerWaalsContact C-N 3.29Å; K331-F333 HydrophobicContact CB-CE1 4.25Å; K331-F333 HydrophobicContact CB-CE2 4.09Å; K331-F333 HydrophobicContact CB-CZ 3.71Å; K331-F333 HydrophobicContact CG-CZ 4.12Å; K331-F333 WeakPolarHBondContact O-CD2 3.12Å; K331-F333 PolarHBondContact O-N 3.46Å; K331-F333 VanDerWaalsContact O-N 3.15Å; F333-A336 PolarHBondContact O-N 3.07Å; F333-V337 WeakPolarHBondContact O-CG2 3.35Å; F333-V337 PolarHBondContact O-N 3.49Å; F333-V337 VanDerWaalsContact O-N 3.1Å; F333-A360 HydrophobicContact CB-CB 4.27Å; F333-R363 HydrophobicContact CD1-CB 3.76Å; F333-R363 HydrophobicContact CD1-CG 4.13Å; F333-R363 HydrophobicContact CD2-CB 3.82Å; F333-R363 HydrophobicContact CE1-CB 3.59Å; F333-R363 HydrophobicContact CE1-CG 3.64Å; F333-R363 HydrophobicContact CE2-CB 3.65Å; F333-R363 HydrophobicContact CE2-CG 4.42Å; F333-R363 HydrophobicContact CG-CB 3.88Å; F333-R363 HydrophobicContact CZ-CB 3.53Å; F333-R363 HydrophobicContact CZ-CG 3.8Å; F333-R364 HydrophobicContact CB-CG 3.57Å; F333-R364 HydrophobicContact CD2-CG 4.29Å; F333-R364 HydrophobicContact CG-CG 4.27Å
334S96.6Very high97.2Very high63 Ų6343.2 Ų43.244%0.44121%0.206SC..Hα-helixtrans-63.4-49.2176.9-55.20000111.1E332 A336 V337 D338E332-S334 VanDerWaalsContact C-N 3.3Å; E332-S334 PolarHBondContact O-N 2.93Å; S334-A336 VanDerWaalsContact C-N 3.27Å; S334-A336 PolarHBondContact O-N 3.36Å; S334-V337 WeakPolarHBondContact O-CB 3.45Å; S334-V337 PolarHBondContact O-N 3.07Å; S334-V337 VanDerWaalsContact O-N 3.07Å; S334-D338 PolarHBondContact O-N 2.83Å
335Q97.1Very high97.1Very high80 Ų8049.1 Ų49.137%0.37423%0.234SC..Hα-helixtrans-64.7-32.9177.8-68.8177-36.400112.2F327 E332 D338 N339F327-Q335 HydrophobicContact CB-CB 4.38Å; F327-Q335 HydrophobicContact CD1-CB 4.03Å; F327-Q335 VanDerWaalsContact CD1-OE1 3.26Å; F327-Q335 HydrophobicContact CD2-CB 3.76Å; F327-Q335 HydrophobicContact CE1-CB 4.23Å; F327-Q335 HydrophobicContact CE2-CB 3.97Å; F327-Q335 HydrophobicContact CG-CB 3.8Å; F327-Q335 HydrophobicContact CZ-CB 4.21Å; E332-Q335 PolarHBondContact O-N 3.21Å; E332-Q335 PolarHBondContact OE2-OE1 2.9Å; Q335-D338 PolarHBondContact O-N 3.26Å; Q335-N339 PolarHBondContact O-N 2.99Å; Q335-N339 VanDerWaalsContact O-N 3.07Å; Q335-N339 PolarHBondContact O-ND2 3.21Å
336A98.3Very high96.9Very high0 Ų053.1 Ų53.10%025%0.252CS..Hα-helixtrans-62-42.2172.800000112.1F327 L328 E332 F333 S334 C340 A360F327-A336 HydrophobicContact CB-CB 3.86Å; L328-A336 HydrophobicContact CD2-CB 4.34Å; L328-A336 HydrophobicContact CG-CB 4.08Å; E332-A336 PolarHBondContact O-N 3.26Å; F333-A336 PolarHBondContact O-N 3.07Å; S334-A336 VanDerWaalsContact C-N 3.27Å; S334-A336 PolarHBondContact O-N 3.36Å; A336-C340 PolarHBondContact O-N 3.03Å; A336-C340 VanDerWaalsContact O-N 3.13Å; A336-C340 PolarHBondContact O-SG 3.07Å; A336-A360 HydrophobicContact CB-CB 3.97Å
337V98.3Very high96.7Very high7 Ų755.6 Ų55.64%0.04227%0.265CS..Hα-helixtrans-63.9-46.9175.7170.60000111F333 S334 N339 C340 N341 R357 A360 R361F333-V337 WeakPolarHBondContact O-CG2 3.35Å; F333-V337 PolarHBondContact O-N 3.49Å; F333-V337 VanDerWaalsContact O-N 3.1Å; S334-V337 WeakPolarHBondContact O-CB 3.45Å; S334-V337 PolarHBondContact O-N 3.07Å; S334-V337 VanDerWaalsContact O-N 3.07Å; V337-N339 PolarHBondContact O-N 3.44Å; V337-C340 PolarHBondContact O-N 3.41Å; V337-C340 VanDerWaalsContact O-N 3.11Å; V337-N341 VanDerWaalsContact O-CG 3.3Å; V337-N341 PolarHBondContact O-N 3.1Å; V337-N341 PolarHBondContact O-ND2 3.33Å; V337-R357 HydrophobicContact CB-CG 4.45Å; V337-R357 HydrophobicContact CG1-CG 4.1Å; V337-R357 HydrophobicContact CG2-CG 4.21Å; V337-A360 HydrophobicContact CG2-CB 3.68Å; V337-R361 HydrophobicContact CG2-CG 3.92Å
338D97.9Very high96.6Very high93 Ų9362.5 Ų62.550%0.49730%0.297SS..Hα-helixtrans-60.4-44.5-178-61.7-25.7000111.7S334 Q335 C340 N341 K342S334-D338 PolarHBondContact O-N 2.83Å; Q335-D338 PolarHBondContact O-N 3.26Å; D338-C340 VanDerWaalsContact C-N 3.34Å; D338-C340 PolarHBondContact O-N 3.08Å; D338-N341 WeakPolarHBondContact O-CB 3.44Å; D338-N341 PolarHBondContact O-N 3.4Å; D338-K342 PolarHBondContact O-N 3.07Å; D338-K342 VanDerWaalsContact O-N 3.14Å
339N98.3Very high96.4Very high20 Ų2065.1 Ų65.111%0.10732%0.317CS..Hα-helixtrans-65-35.7175.6-80.3-85.3000112.6H320 L323 A324 F327 Q335 V337 V343H320-N339 PolarHBondContact ND1-OD1 2.78Å; L323-N339 HydrophobicContact CB-CB 4.49Å; A324-N339 HydrophobicContact CB-CB 3.98Å; F327-N339 WeakPolarHBondContact CE2-ND2 3.44Å; Q335-N339 PolarHBondContact O-N 2.99Å; Q335-N339 VanDerWaalsContact O-N 3.07Å; Q335-N339 PolarHBondContact O-ND2 3.21Å; V337-N339 PolarHBondContact O-N 3.44Å; N339-V343 WeakPolarHBondContact O-CG2 3.36Å; N339-V343 PolarHBondContact O-N 3.03Å
340C98.4Very high96.5Very high0 Ų059.5 Ų59.50%030%0.298CS..Hα-helixtrans-68.7-37.2174.5-66.20000112A324 A336 V337 D338 K342 V343 I344 A353 R357A324-C340 WeakPolarHBondContact CB-SG 3.48Å; A336-C340 PolarHBondContact O-N 3.03Å; A336-C340 VanDerWaalsContact O-N 3.13Å; A336-C340 PolarHBondContact O-SG 3.07Å; V337-C340 PolarHBondContact O-N 3.41Å; V337-C340 VanDerWaalsContact O-N 3.11Å; D338-C340 VanDerWaalsContact C-N 3.34Å; D338-C340 PolarHBondContact O-N 3.08Å; C340-K342 VanDerWaalsContact C-N 3.33Å; C340-K342 PolarHBondContact O-N 3.22Å; C340-V343 PolarHBondContact O-N 2.91Å; C340-V343 VanDerWaalsContact O-N 3.16Å; C340-I344 WeakPolarHBondContact O-CD1 3.29Å; C340-I344 VanDerWaalsContact O-CG1 3.27Å; C340-I344 WeakPolarHBondContact O-CG1 3.42Å; C340-I344 PolarHBondContact O-N 3.19Å; C340-A353 HydrophobicContact CB-CB 4.44Å; C340-A353 PolarHBondContact SG-O 3.46Å; C340-R357 HydrophobicContact CB-CB 3.65Å; C340-R357 HydrophobicContact CB-CG 4.06Å
341N98.1Very high96.7Very high42 Ų4260.8 Ų60.823%0.22530%0.303CS..Hα-helixtrans-59.9-45.1176.4-68.5-22.3000110.8V337 D338 V343 I344 E345 R357V337-N341 VanDerWaalsContact O-CG 3.3Å; V337-N341 PolarHBondContact O-N 3.1Å; V337-N341 PolarHBondContact O-ND2 3.33Å; D338-N341 WeakPolarHBondContact O-CB 3.44Å; D338-N341 PolarHBondContact O-N 3.4Å; N341-V343 PolarHBondContact O-N 2.91Å; N341-I344 PolarHBondContact O-N 3.48Å; N341-E345 WeakPolarHBondContact O-CG 3.29Å; N341-E345 PolarHBondContact O-N 3.37Å; N341-R357 WeakPolarHBondContact OD1-CD 3.42Å; N341-R357 PolarHBondContact OD1-NH1 2.82Å
342K97.1Very high96.8Very high83 Ų8359.5 Ų59.536%0.36130%0.297SS..Hα-helixtrans-55.1-37.9174.4-70.2-66.2-179.4-173.80113.2D338 C340 E345 H346D338-K342 PolarHBondContact O-N 3.07Å; D338-K342 VanDerWaalsContact O-N 3.14Å; C340-K342 VanDerWaalsContact C-N 3.33Å; C340-K342 PolarHBondContact O-N 3.22Å; K342-E345 IonicContact NZ-OE2 2.79Å; K342-H346 PolarHBondContact O-CD2 3.2Å; K342-H346 VanDerWaalsContact O-CD2 3.31Å
343V97.6Very high96.9Very high0 Ų056.4 Ų56.40%028%0.283CS..Hα-helixtrans-72-41.9177-179.70000111.4L317 H320 L321 N339 C340 N341 E345 H346 D347 N350 A353L317-V343 HydrophobicContact CD2-CB 4.47Å; L317-V343 HydrophobicContact CD2-CG1 4.43Å; L317-V343 HydrophobicContact CD2-CG2 4.47Å; H320-V343 HydrophobicContact CB-CG2 3.57Å; L321-V343 HydrophobicContact CD1-CG1 4.4Å; L321-V343 HydrophobicContact CD2-CB 4.43Å; L321-V343 HydrophobicContact CD2-CG1 4.01Å; L321-V343 HydrophobicContact CD2-CG2 4.08Å; L321-V343 HydrophobicContact CG-CG1 4.01Å; L321-V343 HydrophobicContact CG-CG2 3.82Å; N339-V343 WeakPolarHBondContact O-CG2 3.36Å; N339-V343 PolarHBondContact O-N 3.03Å; C340-V343 PolarHBondContact O-N 2.91Å; C340-V343 VanDerWaalsContact O-N 3.16Å; N341-V343 PolarHBondContact O-N 2.91Å; V343-E345 VanDerWaalsContact C-N 3.35Å; V343-H346 PolarHBondContact O-N 3.01Å; V343-D347 PolarHBondContact O-N 3.43Å; V343-N350 HydrophobicContact CG1-CB 4.08Å; V343-A353 HydrophobicContact CB-CB 3.9Å; V343-A353 HydrophobicContact CG1-CB 3.79Å
344I96.8Very high96.9Very high20 Ų2054.6 Ų54.610%0.10328%0.275CS..Hα-helixtrans-70.9-29.9-176.6-69165.6000112.1C340 N341 H346 D347 E348 A353 L354C340-I344 WeakPolarHBondContact O-CD1 3.29Å; C340-I344 VanDerWaalsContact O-CG1 3.27Å; C340-I344 WeakPolarHBondContact O-CG1 3.42Å; C340-I344 PolarHBondContact O-N 3.19Å; N341-I344 PolarHBondContact O-N 3.48Å; I344-H346 PolarHBondContact O-N 3.33Å; I344-D347 CarbonylContact O-C 3.51Å; I344-E348 WeakPolarHBondContact O-CA 3.48Å; I344-E348 WeakPolarHBondContact O-CG 3.47Å; I344-E348 PolarHBondContact O-N 3.46Å; I344-A353 HydrophobicContact CD1-CB 4.09Å; I344-A353 HydrophobicContact CG1-CB 3.79Å; I344-L354 HydrophobicContact CD1-CD2 3.8Å; I344-L354 HydrophobicContact CD1-CG 4.27Å; I344-L354 HydrophobicContact CG1-CD2 4.38Å
345E96.1Very high97Very high125 Ų12553.7 Ų53.758%0.58426%0.262SS*.THydrogen-bonded Turntrans-57.2-26.6171.6-77.6166.9-162.500112.3N341 K342 V343N341-E345 WeakPolarHBondContact O-CG 3.29Å; N341-E345 PolarHBondContact O-N 3.37Å; K342-E345 IonicContact NZ-OE2 2.79Å; V343-E345 VanDerWaalsContact C-N 3.35Å
346H93.7Very high97Very high117 Ų11751.6 Ų51.654%0.54225%0.251SS..THydrogen-bonded Turntrans-106-37.1178.8-68.4-78.2000113.8Q313 L317 K342 V343 I344Q313-H346 PolarHBondContact NE2-CD2 3.2Å; Q313-H346 PolarHBondContact NE2-CE1 3.22Å; Q313-H346 PolarHBondContact NE2-ND1 3.24Å; Q313-H346 PolarHBondContact NE2-NE2 3.08Å; Q313-H346 VanDerWaalsContact NE2-NE2 3.19Å; L317-H346 HydrophobicContact CD1-CB 4.15Å; L317-H346 HydrophobicContact CD2-CB 3.9Å; K342-H346 PolarHBondContact O-CD2 3.2Å; K342-H346 VanDerWaalsContact O-CD2 3.31Å; V343-H346 PolarHBondContact O-N 3.01Å; I344-H346 PolarHBondContact O-N 3.33Å
347D93.4Very high97Very high51 Ų5152.8 Ų52.827%0.27326%0.255SS..  trans-131.389.4177.5174.812.6000109.5V343 I344 S349 N350V343-D347 PolarHBondContact O-N 3.43Å; I344-D347 CarbonylContact O-C 3.51Å; D347-S349 PolarHBondContact O-N 2.85Å; D347-S349 VanDerWaalsContact O-N 3.15Å; D347-S349 PolarHBondContact OD1-N 3Å; D347-S349 VanDerWaalsContact OD1-N 3.12Å; D347-S349 PolarHBondContact OD1-OG 3.07Å; D347-N350 HydrophobicContact CB-CB 4.16Å; D347-N350 WeakPolarHBondContact O-CB 3.23Å; D347-N350 PolarHBondContact O-N 3.32Å; D347-N350 VanDerWaalsContact O-N 3.12Å; D347-N350 PolarHBondContact OD1-N 2.65Å; D347-N350 VanDerWaalsContact OD2-CB 3.24Å; D347-N350 WeakPolarHBondContact OD2-CB 3.31Å; D347-N350 PolarHBondContact OD2-ND2 2.98Å
348E95.4Very high97Very high151 Ų15152.5 Ų52.571%0.70625%0.253SS*.THydrogen-bonded Turntrans-61.4-23.2-179.5-65.7-172.4179.600113.1I344I344-E348 WeakPolarHBondContact O-CA 3.48Å; I344-E348 WeakPolarHBondContact O-CG 3.47Å; I344-E348 PolarHBondContact O-N 3.46Å
349S94.9Very high97Very high70 Ų7050 Ų5049%0.4924%0.239SC..THydrogen-bonded Turntrans-935.4-178.469.90000113.4D347 E351 V380D347-S349 PolarHBondContact O-N 2.85Å; D347-S349 VanDerWaalsContact O-N 3.15Å; D347-S349 PolarHBondContact OD1-N 3Å; D347-S349 VanDerWaalsContact OD1-N 3.12Å; D347-S349 PolarHBondContact OD1-OG 3.07Å; S349-E351 PolarHBondContact O-N 3.39Å; S349-V380 WeakPolarHBondContact O-CG1 3.21Å
350N97.1Very high97Very high29 Ų2949.1 Ų49.116%0.15523%0.234CC..  trans-66.1101.7-175.4-160.4-78.3000112.1V343 D347 K352 A353 L354V343-N350 HydrophobicContact CG1-CB 4.08Å; D347-N350 HydrophobicContact CB-CB 4.16Å; D347-N350 WeakPolarHBondContact O-CB 3.23Å; D347-N350 PolarHBondContact O-N 3.32Å; D347-N350 VanDerWaalsContact O-N 3.12Å; D347-N350 PolarHBondContact OD1-N 2.65Å; D347-N350 VanDerWaalsContact OD2-CB 3.24Å; D347-N350 WeakPolarHBondContact OD2-CB 3.31Å; D347-N350 PolarHBondContact OD2-ND2 2.98Å; N350-K352 PolarHBondContact O-N 3.1Å; N350-K352 VanDerWaalsContact O-N 3.15Å; N350-K352 PolarHBondContact OD1-N 3.32Å; N350-A353 HydrophobicContact CB-CB 3.95Å; N350-A353 PolarHBondContact O-N 2.96Å; N350-A353 VanDerWaalsContact O-N 3.17Å; N350-A353 PolarHBondContact OD1-N 3.18Å; N350-A353 VanDerWaalsContact OD1-N 3.1Å; N350-L354 WeakPolarHBondContact O-CG 3.37Å; N350-L354 PolarHBondContact O-N 3.42Å
351E96.7Very high96.9Very high64 Ų6450.8 Ų50.830%0.29924%0.24SC..Hα-helixtrans-53.4-41.6-176.4-167.6-170.316800112.3S349 Y355 V377 V380 N381 N384S349-E351 PolarHBondContact O-N 3.39Å; E351-Y355 VanDerWaalsContact O-CB 3.27Å; E351-Y355 WeakPolarHBondContact O-CB 3.45Å; E351-Y355 PolarHBondContact O-N 2.99Å; E351-V377 HydrophobicContact CG-CG1 3.94Å; E351-V380 HydrophobicContact CB-CG1 4.34Å; E351-N381 HydrophobicContact CG-CB 4.4Å; E351-N381 PolarHBondContact OE1-ND2 2.87Å; E351-N381 PolarHBondContact OE2-ND2 3.45Å; E351-N384 PolarHBondContact OE1-ND2 2.89Å
352K97Very high96.8Very high130 Ų13049 Ų4957%0.56523%0.231SC*.Hα-helixtrans-70.4-42.6-177.3-69.2176-177.3167.40112L321 N350 R356L321-K352 HydrophobicContact CD2-CB 4.08Å; N350-K352 PolarHBondContact O-N 3.1Å; N350-K352 VanDerWaalsContact O-N 3.15Å; N350-K352 PolarHBondContact OD1-N 3.32Å; K352-R356 VanDerWaalsContact O-CB 3.3Å; K352-R356 WeakPolarHBondContact O-CB 3.36Å; K352-R356 WeakPolarHBondContact O-CD 3.26Å; K352-R356 WeakPolarHBondContact O-CG 3.33Å; K352-R356 PolarHBondContact O-N 3.04Å
353A97.9Very high96.7Very high0 Ų051.9 Ų51.90%024%0.239CC..Hα-helixtrans-65.8-47.1178.700000110.9L321 C340 V343 I344 N350 Y355 R356 R357L321-A353 HydrophobicContact CD2-CB 3.78Å; C340-A353 HydrophobicContact CB-CB 4.44Å; C340-A353 PolarHBondContact SG-O 3.46Å; V343-A353 HydrophobicContact CB-CB 3.9Å; V343-A353 HydrophobicContact CG1-CB 3.79Å; I344-A353 HydrophobicContact CD1-CB 4.09Å; I344-A353 HydrophobicContact CG1-CB 3.79Å; N350-A353 HydrophobicContact CB-CB 3.95Å; N350-A353 PolarHBondContact O-N 2.96Å; N350-A353 VanDerWaalsContact O-N 3.17Å; N350-A353 PolarHBondContact OD1-N 3.18Å; N350-A353 VanDerWaalsContact OD1-N 3.1Å; A353-Y355 PolarHBondContact O-N 3.27Å; A353-R356 PolarHBondContact O-N 3.08Å; A353-R357 VanDerWaalsContact O-CB 3.31Å; A353-R357 WeakPolarHBondContact O-CB 3.28Å; A353-R357 PolarHBondContact O-N 3.17Å
354L98.2Very high96.6Very high1 Ų156.3 Ų56.31%0.00526%0.256CS..Hα-helixtrans-58.5-47.9177.5-69.4167.7000111.1I344 N350 R357 G358 K376 V377 V380I344-L354 HydrophobicContact CD1-CD2 3.8Å; I344-L354 HydrophobicContact CD1-CG 4.27Å; I344-L354 HydrophobicContact CG1-CD2 4.38Å; N350-L354 WeakPolarHBondContact O-CG 3.37Å; N350-L354 PolarHBondContact O-N 3.42Å; L354-R357 PolarHBondContact O-N 3Å; L354-G358 PolarHBondContact O-N 2.72Å; L354-K376 HydrophobicContact CD1-CB 4.01Å; L354-K376 HydrophobicContact CD2-CB 4.19Å; L354-K376 HydrophobicContact CD2-CD 4.16Å; L354-V377 HydrophobicContact CB-CG2 3.52Å; L354-V380 HydrophobicContact CD1-CG2 4.4Å
355Y98.1Very high96.4Very high45 Ų4559.9 Ų59.918%0.17628%0.275CS..Hα-helixtrans-62.2-47.3179.2-172.2-86.5000112.3E351 A353 R357 G358 E359 F374 V377 A386 A387 Q390E351-Y355 VanDerWaalsContact O-CB 3.27Å; E351-Y355 WeakPolarHBondContact O-CB 3.45Å; E351-Y355 PolarHBondContact O-N 2.99Å; A353-Y355 PolarHBondContact O-N 3.27Å; Y355-R357 PolarHBondContact O-N 3.44Å; Y355-G358 PolarHBondContact O-N 3.21Å; Y355-E359 PolarHBondContact O-N 3.44Å; Y355-F374 HydrophobicContact CD2-CD1 4.08Å; Y355-F374 AromaticContact CD2-CE1 3.86Å; Y355-F374 HydrophobicContact CD2-CE1 3.86Å; Y355-F374 HydrophobicContact CE2-CD1 4.24Å; Y355-F374 AromaticContact CE2-CE1 3.85Å; Y355-F374 HydrophobicContact CE2-CE1 3.85Å; Y355-F374 HydrophobicContact CG-CE1 4.35Å; Y355-V377 HydrophobicContact CD2-CG1 4.37Å; Y355-A386 HydrophobicContact CE2-CB 3.99Å; Y355-A386 WeakPolarHBondContact OH-CB 3.32Å; Y355-A387 HydrophobicContact CD2-CB 4.14Å; Y355-A387 HydrophobicContact CE2-CB 4.13Å; Y355-Q390 HydrophobicContact CE2-CG 4.44Å
356R98.3Very high96.4Very high36 Ų3656.5 Ų56.514%0.13626%0.259CS..Hα-helixtrans-65-38.8180-72.7171.2-174176.12.8111.8L321 L328 K352 A353 E359 A360L321-R356 PolarHBondContact O-NH1 3.2Å; L328-R356 HydrophobicContact CD1-CB 3.81Å; L328-R356 HydrophobicContact CD1-CG 3.86Å; K352-R356 VanDerWaalsContact O-CB 3.3Å; K352-R356 WeakPolarHBondContact O-CB 3.36Å; K352-R356 WeakPolarHBondContact O-CD 3.26Å; K352-R356 WeakPolarHBondContact O-CG 3.33Å; K352-R356 PolarHBondContact O-N 3.04Å; A353-R356 PolarHBondContact O-N 3.08Å; R356-E359 PolarHBondContact O-N 3.11Å; R356-A360 PolarHBondContact O-N 3.15Å
357R98.4Very high96.4Very high25 Ų2552.3 Ų52.39%0.09424%0.239CC..Hα-helixtrans-64.2-45.3174.8-164.6172.368-173.3-6.1111.4V337 C340 N341 A353 L354 Y355 E359 A360 R361 D373V337-R357 HydrophobicContact CB-CG 4.45Å; V337-R357 HydrophobicContact CG1-CG 4.1Å; V337-R357 HydrophobicContact CG2-CG 4.21Å; C340-R357 HydrophobicContact CB-CB 3.65Å; C340-R357 HydrophobicContact CB-CG 4.06Å; N341-R357 WeakPolarHBondContact OD1-CD 3.42Å; N341-R357 PolarHBondContact OD1-NH1 2.82Å; A353-R357 VanDerWaalsContact O-CB 3.31Å; A353-R357 WeakPolarHBondContact O-CB 3.28Å; A353-R357 PolarHBondContact O-N 3.17Å; L354-R357 PolarHBondContact O-N 3Å; Y355-R357 PolarHBondContact O-N 3.44Å; R357-E359 VanDerWaalsContact C-N 3.33Å; R357-E359 PolarHBondContact O-N 3.28Å; R357-A360 PolarHBondContact O-N 3.1Å; R357-R361 WeakPolarHBondContact O-CB 3.12Å; R357-R361 VanDerWaalsContact O-CG 3.32Å; R357-R361 WeakPolarHBondContact O-CG 3.46Å; R357-R361 PolarHBondContact O-N 3.43Å; R357-D373 IonicContact CZ-OD1 3.3Å; R357-D373 VanDerWaalsContact CZ-OD1 3.3Å; R357-D373 IonicContact NE-OD1 3.08Å; R357-D373 PolarHBondContact NE-OD1 3.39Å; R357-D373 VanDerWaalsContact NE-OD1 3.08Å; R357-D373 IonicContact NE-OD2 2.62Å; R357-D373 PolarHBondContact NE-OD2 2.97Å; R357-D373 IonicContact NH2-OD1 2.69Å; R357-D373 PolarHBondContact NH2-OD1 2.86Å
358G97.6Very high96.4Very high0 Ų055.1 Ų55.10%025%0.254CS..Hα-helixtrans-59.2-42.9175.200000112.3L354 Y355 R361 L362 A370 D373L354-G358 PolarHBondContact O-N 2.72Å; Y355-G358 PolarHBondContact O-N 3.21Å; G358-R361 PolarHBondContact O-N 3.06Å; G358-L362 VanDerWaalsContact O-CB 3.29Å; G358-L362 WeakPolarHBondContact O-CB 3.46Å; G358-L362 PolarHBondContact O-N 3.15Å; G358-A370 WeakPolarHBondContact O-CB 3.44Å; G358-D373 PolarHBondContact N-OD2 2.95Å
359E97.6Very high96.5Very high42 Ų4251.8 Ų51.820%0.19624%0.241CC..Hα-helixtrans-62-47175-173.4178.5-179.100111.8L328 Y355 R356 R357 R361 L362 R363L328-E359 HydrophobicContact CD2-CB 4.3Å; L328-E359 HydrophobicContact CD2-CG 4.12Å; Y355-E359 PolarHBondContact O-N 3.44Å; R356-E359 PolarHBondContact O-N 3.11Å; R357-E359 VanDerWaalsContact C-N 3.33Å; R357-E359 PolarHBondContact O-N 3.28Å; E359-R361 PolarHBondContact O-N 3.38Å; E359-L362 PolarHBondContact O-N 3.24Å; E359-R363 VanDerWaalsContact O-CG 3.28Å; E359-R363 WeakPolarHBondContact O-CG 3.43Å; E359-R363 PolarHBondContact O-N 3.43Å; E359-R363 VanDerWaalsContact O-N 3.07Å
360A97.8Very high96.6Very high0 Ų048.5 Ų48.50%022%0.217CC..Hα-helixtrans-61.9-44.7178.700000112.1L328 F333 A336 V337 R356 R357 R363 R364L328-A360 HydrophobicContact CD2-CB 3.79Å; F333-A360 HydrophobicContact CB-CB 4.27Å; A336-A360 HydrophobicContact CB-CB 3.97Å; V337-A360 HydrophobicContact CG2-CB 3.68Å; R356-A360 PolarHBondContact O-N 3.15Å; R357-A360 PolarHBondContact O-N 3.1Å; A360-R363 PolarHBondContact O-N 2.65Å; A360-R364 WeakPolarHBondContact O-CG 3.37Å; A360-R364 PolarHBondContact O-N 3.31Å; A360-R364 VanDerWaalsContact O-N 3.08Å
361R97.7Very high96.5Very high35 Ų3548 Ų4813%0.13222%0.215CC..Hα-helixtrans-63.6-41.3176.9-74174.8163172.4-2.5112.4V337 R357 G358 E359 R363 R364 N365 E366 A370 D373V337-R361 HydrophobicContact CG2-CG 3.92Å; R357-R361 WeakPolarHBondContact O-CB 3.12Å; R357-R361 VanDerWaalsContact O-CG 3.32Å; R357-R361 WeakPolarHBondContact O-CG 3.46Å; R357-R361 PolarHBondContact O-N 3.43Å; G358-R361 PolarHBondContact O-N 3.06Å; E359-R361 PolarHBondContact O-N 3.38Å; R361-R363 VanDerWaalsContact C-N 3.28Å; R361-R363 PolarHBondContact O-N 3.18Å; R361-R364 CarbonylContact O-C 3.51Å; R361-R364 WeakPolarHBondContact O-CA 2.85Å; R361-R364 PolarHBondContact O-N 3.22Å; R361-N365 PolarHBondContact O-N 3.21Å; R361-E366 HydrophobicContact CB-CB 4.09Å; R361-E366 WeakPolarHBondContact CG-OE2 3.44Å; R361-E366 PolarHBondContact O-N 2.97Å; R361-A370 HydrophobicContact CB-CB 3.97Å; R361-D373 WeakPolarHBondContact CD-OD2 3.35Å; R361-D373 IonicContact CZ-OD2 3.7Å; R361-D373 IonicContact NE-OD2 2.71Å; R361-D373 VanDerWaalsContact NH1-CG 3.26Å; R361-D373 IonicContact NH1-OD1 3.16Å; R361-D373 PolarHBondContact NH1-OD1 3.3Å; R361-D373 VanDerWaalsContact NH1-OD1 3.16Å; R361-D373 IonicContact NH1-OD2 3.19Å; R361-D373 PolarHBondContact NH1-OD2 3.44Å
362L95.6Very high96.5Very high6 Ų648.2 Ų48.23%0.03122%0.22CC..Hα-helixtrans-59.1-40.8174.2176.557.9000111.6G358 E359 R364 N365 Y367 A370 F374 C394 K397G358-L362 VanDerWaalsContact O-CB 3.29Å; G358-L362 WeakPolarHBondContact O-CB 3.46Å; G358-L362 PolarHBondContact O-N 3.15Å; E359-L362 PolarHBondContact O-N 3.24Å; L362-R364 VanDerWaalsContact C-N 3.27Å; L362-R364 PolarHBondContact O-N 3.01Å; L362-N365 PolarHBondContact O-N 2.86Å; L362-Y367 HydrophobicContact CD1-CD1 3.78Å; L362-Y367 HydrophobicContact CD1-CE1 3.95Å; L362-A370 HydrophobicContact CB-CB 4.05Å; L362-F374 HydrophobicContact CD2-CE2 4.44Å; L362-C394 HydrophobicContact CD1-CB 4.47Å; L362-C394 VanDerWaalsContact CD1-SG 3.54Å; L362-K397 HydrophobicContact CD1-CD 4.11Å
363R95.4Very high96.6Very high143 Ų14342 Ų4254%0.5419%0.193SC..Hα-helixtrans-69.7-24.6176.4-64.2-70.7-173140.86.3113.2F333 E359 A360 R361 N365F333-R363 HydrophobicContact CD1-CB 3.76Å; F333-R363 HydrophobicContact CD1-CG 4.13Å; F333-R363 HydrophobicContact CD2-CB 3.82Å; F333-R363 HydrophobicContact CE1-CB 3.59Å; F333-R363 HydrophobicContact CE1-CG 3.64Å; F333-R363 HydrophobicContact CE2-CB 3.65Å; F333-R363 HydrophobicContact CE2-CG 4.42Å; F333-R363 HydrophobicContact CG-CB 3.88Å; F333-R363 HydrophobicContact CZ-CB 3.53Å; F333-R363 HydrophobicContact CZ-CG 3.8Å; E359-R363 VanDerWaalsContact O-CG 3.28Å; E359-R363 WeakPolarHBondContact O-CG 3.43Å; E359-R363 PolarHBondContact O-N 3.43Å; E359-R363 VanDerWaalsContact O-N 3.07Å; A360-R363 PolarHBondContact O-N 2.65Å; R361-R363 VanDerWaalsContact C-N 3.28Å; R361-R363 PolarHBondContact O-N 3.18Å; R363-N365 VanDerWaalsContact C-N 3.3Å
364R94.9Very high96.6Very high93 Ų9342 Ų4235%0.35119%0.193SC..THydrogen-bonded Turntrans-85.94.6172.7-67.7174.963.8-155.9-10.2113.6F333 A360 R361 L362 E366F333-R364 HydrophobicContact CB-CG 3.57Å; F333-R364 HydrophobicContact CD2-CG 4.29Å; F333-R364 HydrophobicContact CG-CG 4.27Å; A360-R364 WeakPolarHBondContact O-CG 3.37Å; A360-R364 PolarHBondContact O-N 3.31Å; A360-R364 VanDerWaalsContact O-N 3.08Å; R361-R364 CarbonylContact O-C 3.51Å; R361-R364 WeakPolarHBondContact O-CA 2.85Å; R361-R364 PolarHBondContact O-N 3.22Å; L362-R364 VanDerWaalsContact C-N 3.27Å; L362-R364 PolarHBondContact O-N 3.01Å; R364-E366 HydrophobicContact CB-CG 4.15Å; R364-E366 IonicContact CZ-OE1 2.82Å; R364-E366 IonicContact CZ-OE2 3.59Å; R364-E366 IonicContact NE-OE1 2.99Å; R364-E366 IonicContact NH1-OE1 3.94Å; R364-E366 IonicContact NH1-OE2 3.69Å; R364-E366 IonicContact NH2-OE1 2.82Å; R364-E366 PolarHBondContact NH2-OE1 3.46Å; R364-E366 PolarHBondContact O-N 3.43Å
365N93.4Very high96.5Very high94 Ų9446 Ų4650%0.50321%0.212SC..THydrogen-bonded Turntrans62.719.6-174.5-52.4-36.4000114.4R361 L362 R363 Y367R361-N365 PolarHBondContact O-N 3.21Å; L362-N365 PolarHBondContact O-N 2.86Å; R363-N365 VanDerWaalsContact C-N 3.3Å; N365-Y367 HydrophobicContact CB-CE1 4.33Å; N365-Y367 HydrophobicContact CB-CE2 3.99Å; N365-Y367 VanDerWaalsContact O-CD2 3.31Å; N365-Y367 WeakPolarHBondContact O-CD2 3.27Å; N365-Y367 WeakPolarHBondContact O-CE2 3.2Å; N365-Y367 PolarHBondContact O-N 3.49Å; N365-Y367 PolarHBondContact OD1-OH 2.96Å; N365-Y367 VanDerWaalsContact OD1-OH 3.14Å
366E94.9Very high96.5Very high54 Ų5448 Ų4825%0.25222%0.222SC..  trans-84.362.1175.6-64.1176.7174.500110.1R361 R364 N368 L369 A370R361-E366 HydrophobicContact CB-CB 4.09Å; R361-E366 WeakPolarHBondContact CG-OE2 3.44Å; R361-E366 PolarHBondContact O-N 2.97Å; R364-E366 HydrophobicContact CB-CG 4.15Å; R364-E366 IonicContact CZ-OE1 2.82Å; R364-E366 IonicContact CZ-OE2 3.59Å; R364-E366 IonicContact NE-OE1 2.99Å; R364-E366 IonicContact NH1-OE1 3.94Å; R364-E366 IonicContact NH1-OE2 3.69Å; R364-E366 IonicContact NH2-OE1 2.82Å; R364-E366 PolarHBondContact NH2-OE1 3.46Å; R364-E366 PolarHBondContact O-N 3.43Å; E366-N368 PolarHBondContact O-N 3.46Å; E366-L369 HydrophobicContact CB-CB 4.41Å; E366-L369 HydrophobicContact CB-CD1 4.32Å; E366-L369 PolarHBondContact O-N 2.97Å; E366-A370 PolarHBondContact O-N 3.14Å
367Y94.4Very high96.4Very high30 Ų3046.3 Ų46.312%0.11822%0.215CC..Hα-helixtrans-59.5-42.2-167-53.3-62.2000113.7L362 N365 L369 A370 I371 K397 M398 H401L362-Y367 HydrophobicContact CD1-CD1 3.78Å; L362-Y367 HydrophobicContact CD1-CE1 3.95Å; N365-Y367 HydrophobicContact CB-CE1 4.33Å; N365-Y367 HydrophobicContact CB-CE2 3.99Å; N365-Y367 VanDerWaalsContact O-CD2 3.31Å; N365-Y367 WeakPolarHBondContact O-CD2 3.27Å; N365-Y367 WeakPolarHBondContact O-CE2 3.2Å; N365-Y367 PolarHBondContact O-N 3.49Å; N365-Y367 PolarHBondContact OD1-OH 2.96Å; N365-Y367 VanDerWaalsContact OD1-OH 3.14Å; Y367-L369 PolarHBondContact O-N 3.47Å; Y367-A370 PolarHBondContact O-N 3.37Å; Y367-I371 WeakPolarHBondContact O-CB 3.45Å; Y367-I371 VanDerWaalsContact O-CG1 3.26Å; Y367-I371 WeakPolarHBondContact O-CG1 3.3Å; Y367-I371 PolarHBondContact O-N 3.33Å; Y367-K397 HydrophobicContact CD1-CB 4.01Å; Y367-K397 HydrophobicContact CE1-CB 3.58Å; Y367-K397 HydrophobicContact CE1-CD 3.85Å; Y367-K397 HydrophobicContact CE1-CG 4.39Å; Y367-M398 HydrophobicContact CG-CB 4.38Å; Y367-H401 HydrophobicContact CE2-CB 3.94Å
368N93.5Very high96.3Very high110 Ų11046.5 Ų46.559%0.58822%0.218SC*.Hα-helixtrans-61.3-45.3179.5-69.6-35.2000111.6E366 I371 V372 M398E366-N368 PolarHBondContact O-N 3.46Å; N368-I371 PolarHBondContact O-N 3.09Å; N368-V372 WeakPolarHBondContact O-CG2 3.48Å; N368-V372 PolarHBondContact O-N 3.03Å; N368-M398 PolarHBondContact OD1-SD 2.9Å; N368-M398 VanDerWaalsContact OD1-SD 3.34Å
369L96.3Very high96.3Very high81 Ų8153.5 Ų53.542%0.42425%0.251SS..Hα-helixtrans-68.7-37.7179.2-61.1178.7000111.5E366 Y367 V372 D373E366-L369 HydrophobicContact CB-CB 4.41Å; E366-L369 HydrophobicContact CB-CD1 4.32Å; E366-L369 PolarHBondContact O-N 2.97Å; Y367-L369 PolarHBondContact O-N 3.47Å; L369-V372 PolarHBondContact O-N 3.44Å; L369-D373 PolarHBondContact O-N 3.36Å; L369-D373 VanDerWaalsContact O-N 3.1Å
370A97.2Very high96.2Very high0 Ų054.8 Ų54.80%026%0.261CS..Hα-helixtrans-64.8-39.8175.300000112.4G358 R361 L362 E366 Y367 D373 F374G358-A370 WeakPolarHBondContact O-CB 3.44Å; R361-A370 HydrophobicContact CB-CB 3.97Å; L362-A370 HydrophobicContact CB-CB 4.05Å; E366-A370 PolarHBondContact O-N 3.14Å; Y367-A370 PolarHBondContact O-N 3.37Å; A370-D373 PolarHBondContact O-N 2.87Å; A370-F374 HydrophobicContact CB-CE2 4.24Å; A370-F374 WeakPolarHBondContact O-CD2 3.32Å; A370-F374 PolarHBondContact O-N 2.9Å
371I96.3Very high96Very high19 Ų1956.8 Ų56.810%0.09727%0.272CS..Hα-helixtrans-58.8-48.2175.2-75.6167000110.4Y367 N368 D373 F374 Q375 L391 C394 Q395 M398Y367-I371 WeakPolarHBondContact O-CB 3.45Å; Y367-I371 VanDerWaalsContact O-CG1 3.26Å; Y367-I371 WeakPolarHBondContact O-CG1 3.3Å; Y367-I371 PolarHBondContact O-N 3.33Å; N368-I371 PolarHBondContact O-N 3.09Å; I371-D373 VanDerWaalsContact C-N 3.31Å; I371-D373 PolarHBondContact O-N 3.34Å; I371-F374 PolarHBondContact O-N 3.4Å; I371-Q375 HydrophobicContact CG2-CG 4.39Å; I371-Q375 WeakPolarHBondContact O-CB 3.16Å; I371-Q375 VanDerWaalsContact O-CG 3.32Å; I371-Q375 WeakPolarHBondContact O-CG 3.43Å; I371-Q375 PolarHBondContact O-N 3.42Å; I371-L391 HydrophobicContact CB-CD1 4.2Å; I371-L391 HydrophobicContact CG1-CD1 4.16Å; I371-L391 HydrophobicContact CG2-CD1 3.83Å; I371-C394 HydrophobicContact CD1-CB 4.15Å; I371-C394 HydrophobicContact CG1-CB 3.55Å; I371-Q395 HydrophobicContact CD1-CG 4.21Å; I371-M398 HydrophobicContact CD1-CE 4.43Å; I371-M398 HydrophobicContact CD1-SD 3.97Å
372V96.8Very high96Very high69 Ų6959.2 Ų59.242%0.41829%0.292SS..Hα-helixtrans-58.8-44.3178.1172.60000110.9N368 L369 Q375 K376N368-V372 WeakPolarHBondContact O-CG2 3.48Å; N368-V372 PolarHBondContact O-N 3.03Å; L369-V372 PolarHBondContact O-N 3.44Å; V372-Q375 PolarHBondContact O-N 3.31Å; V372-K376 WeakPolarHBondContact O-CG 3.47Å; V372-K376 PolarHBondContact O-N 3Å
373D97.7Very high95.9Very high0 Ų063 Ų630%032%0.319CS..Hα-helixtrans-63.1-45.9177.9-74.5-26.3000112.3R357 G358 R361 L369 A370 I371 Q375 K376 V377R357-D373 IonicContact CZ-OD1 3.3Å; R357-D373 VanDerWaalsContact CZ-OD1 3.3Å; R357-D373 IonicContact NE-OD1 3.08Å; R357-D373 PolarHBondContact NE-OD1 3.39Å; R357-D373 VanDerWaalsContact NE-OD1 3.08Å; R357-D373 IonicContact NE-OD2 2.62Å; R357-D373 PolarHBondContact NE-OD2 2.97Å; R357-D373 IonicContact NH2-OD1 2.69Å; R357-D373 PolarHBondContact NH2-OD1 2.86Å; G358-D373 PolarHBondContact N-OD2 2.95Å; R361-D373 WeakPolarHBondContact CD-OD2 3.35Å; R361-D373 IonicContact CZ-OD2 3.7Å; R361-D373 IonicContact NE-OD2 2.71Å; R361-D373 VanDerWaalsContact NH1-CG 3.26Å; R361-D373 IonicContact NH1-OD1 3.16Å; R361-D373 PolarHBondContact NH1-OD1 3.3Å; R361-D373 VanDerWaalsContact NH1-OD1 3.16Å; R361-D373 IonicContact NH1-OD2 3.19Å; R361-D373 PolarHBondContact NH1-OD2 3.44Å; L369-D373 PolarHBondContact O-N 3.36Å; L369-D373 VanDerWaalsContact O-N 3.1Å; A370-D373 PolarHBondContact O-N 2.87Å; I371-D373 VanDerWaalsContact C-N 3.31Å; I371-D373 PolarHBondContact O-N 3.34Å; D373-Q375 VanDerWaalsContact C-N 3.35Å; D373-Q375 PolarHBondContact O-N 3.46Å; D373-K376 PolarHBondContact O-N 3.13Å; D373-V377 WeakPolarHBondContact O-CG2 3.31Å; D373-V377 PolarHBondContact O-N 2.87Å
374F97.9Very high95.9Very high0 Ų057.5 Ų57.50%030%0.301CS..Hα-helixtrans-69.3-30.7179-67.6-53.4000113.4Y355 L362 A370 I371 V377 L378 A387 Q390 L391Y355-F374 HydrophobicContact CD2-CD1 4.08Å; Y355-F374 AromaticContact CD2-CE1 3.86Å; Y355-F374 HydrophobicContact CD2-CE1 3.86Å; Y355-F374 HydrophobicContact CE2-CD1 4.24Å; Y355-F374 AromaticContact CE2-CE1 3.85Å; Y355-F374 HydrophobicContact CE2-CE1 3.85Å; Y355-F374 HydrophobicContact CG-CE1 4.35Å; L362-F374 HydrophobicContact CD2-CE2 4.44Å; A370-F374 HydrophobicContact CB-CE2 4.24Å; A370-F374 WeakPolarHBondContact O-CD2 3.32Å; A370-F374 PolarHBondContact O-N 2.9Å; I371-F374 PolarHBondContact O-N 3.4Å; F374-V377 PolarHBondContact O-N 2.93Å; F374-L378 WeakPolarHBondContact O-CG 3.48Å; F374-L378 PolarHBondContact O-N 3.14Å; F374-L378 VanDerWaalsContact O-N 3.14Å; F374-A387 HydrophobicContact CD1-CB 4.42Å; F374-Q390 HydrophobicContact CD1-CB 4.06Å; F374-Q390 HydrophobicContact CD2-CB 3.91Å; F374-Q390 HydrophobicContact CE1-CB 3.74Å; F374-Q390 HydrophobicContact CE1-CG 4.06Å; F374-Q390 HydrophobicContact CE2-CB 3.58Å; F374-Q390 HydrophobicContact CE2-CG 4.42Å; F374-Q390 HydrophobicContact CG-CB 4.16Å; F374-Q390 HydrophobicContact CZ-CB 3.48Å; F374-Q390 VanDerWaalsContact CZ-CB 3.48Å; F374-Q390 HydrophobicContact CZ-CG 3.87Å; F374-L391 HydrophobicContact CB-CB 4.27Å; F374-L391 HydrophobicContact CB-CD1 4.31Å
375Q96.8Very high95.9Very high85 Ų8563.3 Ų63.340%0.39732%0.323SS..Hα-helixtrans-63.2-48.2171-76.8173-28.400110.7I371 V372 D373 V377 L378 E379 L391I371-Q375 HydrophobicContact CG2-CG 4.39Å; I371-Q375 WeakPolarHBondContact O-CB 3.16Å; I371-Q375 VanDerWaalsContact O-CG 3.32Å; I371-Q375 WeakPolarHBondContact O-CG 3.43Å; I371-Q375 PolarHBondContact O-N 3.42Å; V372-Q375 PolarHBondContact O-N 3.31Å; D373-Q375 VanDerWaalsContact C-N 3.35Å; D373-Q375 PolarHBondContact O-N 3.46Å; Q375-V377 VanDerWaalsContact C-N 3.28Å; Q375-V377 PolarHBondContact O-N 3.45Å; Q375-L378 CarbonylContact O-C 3.56Å; Q375-L378 WeakPolarHBondContact O-CA 3.48Å; Q375-L378 WeakPolarHBondContact O-CB 3.41Å; Q375-L378 PolarHBondContact O-N 3.4Å; Q375-E379 WeakPolarHBondContact O-CG 3.45Å; Q375-E379 PolarHBondContact O-N 2.93Å; Q375-L391 HydrophobicContact CG-CD1 4.01Å; Q375-L391 HydrophobicContact CG-CD2 4.32Å
376K97.2Very high96Very high86 Ų8661 Ų6137%0.37432%0.316SS..Hα-helixtrans-58.6-37.9174.4-72-173174.3-1600112.8L354 V372 D373 L378 E379 V380L354-K376 HydrophobicContact CD1-CB 4.01Å; L354-K376 HydrophobicContact CD2-CB 4.19Å; L354-K376 HydrophobicContact CD2-CD 4.16Å; V372-K376 WeakPolarHBondContact O-CG 3.47Å; V372-K376 PolarHBondContact O-N 3Å; D373-K376 PolarHBondContact O-N 3.13Å; K376-L378 VanDerWaalsContact C-N 3.29Å; K376-L378 PolarHBondContact O-N 3.33Å; K376-E379 WeakPolarHBondContact O-CB 3.05Å; K376-E379 PolarHBondContact O-N 3.42Å; K376-V380 WeakPolarHBondContact O-CG2 3.43Å; K376-V380 PolarHBondContact O-N 3.49Å
377V97.6Very high96Very high0 Ų058.4 Ų58.40%030%0.304CS..Hα-helixtrans-59.3-41.6172.7173.60000111.5E351 L354 Y355 D373 F374 Q375 V380 N381 N384 A387E351-V377 HydrophobicContact CG-CG1 3.94Å; L354-V377 HydrophobicContact CB-CG2 3.52Å; Y355-V377 HydrophobicContact CD2-CG1 4.37Å; D373-V377 WeakPolarHBondContact O-CG2 3.31Å; D373-V377 PolarHBondContact O-N 2.87Å; F374-V377 PolarHBondContact O-N 2.93Å; Q375-V377 VanDerWaalsContact C-N 3.28Å; Q375-V377 PolarHBondContact O-N 3.45Å; V377-V380 PolarHBondContact O-N 3.41Å; V377-N381 PolarHBondContact O-N 2.92Å; V377-N384 HydrophobicContact CG1-CB 4.26Å; V377-A387 HydrophobicContact CB-CB 4.06Å; V377-A387 HydrophobicContact CG1-CB 3.53Å
378L96.6Very high96Very high29 Ų2963.3 Ų63.315%0.15232%0.323CS..Hα-helixtrans-75.2-24.5179.1-68172.3000113.2F374 Q375 K376 N381 P382 N384 A387 R388 L391F374-L378 WeakPolarHBondContact O-CG 3.48Å; F374-L378 PolarHBondContact O-N 3.14Å; F374-L378 VanDerWaalsContact O-N 3.14Å; Q375-L378 CarbonylContact O-C 3.56Å; Q375-L378 WeakPolarHBondContact O-CA 3.48Å; Q375-L378 WeakPolarHBondContact O-CB 3.41Å; Q375-L378 PolarHBondContact O-N 3.4Å; K376-L378 VanDerWaalsContact C-N 3.29Å; K376-L378 PolarHBondContact O-N 3.33Å; L378-N381 CarbonylContact O-C 3.45Å; L378-P382 VanDerWaalsContact O-CA 3.23Å; L378-P382 WeakPolarHBondContact O-CA 3.26Å; L378-P382 WeakPolarHBondContact O-CD 3.44Å; L378-P382 WeakPolarHBondContact O-CG 3.5Å; L378-P382 VanDerWaalsContact O-N 3.13Å; L378-N384 HydrophobicContact CD2-CB 4.46Å; L378-N384 WeakPolarHBondContact CD2-O 3.24Å; L378-A387 HydrophobicContact CD2-CB 3.95Å; L378-A387 HydrophobicContact CG-CB 4.07Å; L378-R388 HydrophobicContact CD1-CB 4.43Å; L378-R388 HydrophobicContact CD2-CB 4.34Å; L378-L391 HydrophobicContact CD1-CD2 3.97Å
379E96.3Very high96.1Very high148 Ų14861 Ų6169%0.69232%0.319SS*.Hα-helixtrans-67.3-43.8169.4-70167.3-170.600110.9Q375 K376Q375-E379 WeakPolarHBondContact O-CG 3.45Å; Q375-E379 PolarHBondContact O-N 2.93Å; K376-E379 WeakPolarHBondContact O-CB 3.05Å; K376-E379 PolarHBondContact O-N 3.42Å
380V95.8Very high96.1Very high69 Ų6959.8 Ų59.842%0.41831%0.311SS..Hα-helixtrans-71.1-45.4176.5175.20000111.5S349 E351 L354 K376 V377S349-V380 WeakPolarHBondContact O-CG1 3.21Å; E351-V380 HydrophobicContact CB-CG1 4.34Å; L354-V380 HydrophobicContact CD1-CG2 4.4Å; K376-V380 WeakPolarHBondContact O-CG2 3.43Å; K376-V380 PolarHBondContact O-N 3.49Å; V377-V380 PolarHBondContact O-N 3.41Å
381N94.9Very high95.9Very high42 Ų4260.8 Ų60.823%0.22532%0.316CS..  trans-136.390.7-178.6-175.90.4000111.5E351 V377 L378 S383 N384E351-N381 HydrophobicContact CG-CB 4.4Å; E351-N381 PolarHBondContact OE1-ND2 2.87Å; E351-N381 PolarHBondContact OE2-ND2 3.45Å; V377-N381 PolarHBondContact O-N 2.92Å; L378-N381 CarbonylContact O-C 3.45Å; N381-S383 PolarHBondContact O-N 3.13Å; N381-S383 WeakPolarHBondContact OD1-CB 3.41Å; N381-S383 PolarHBondContact OD1-N 3.45Å; N381-S383 VanDerWaalsContact OD1-N 3.15Å; N381-S383 PolarHBondContact OD1-OG 3.42Å; N381-N384 HydrophobicContact CB-CB 4.43Å; N381-N384 WeakPolarHBondContact O-CB 3.18Å; N381-N384 PolarHBondContact O-N 3.14Å; N381-N384 VanDerWaalsContact O-N 3.1Å
382P95.6Very high95.8Very high85 Ų8563.2 Ų63.255%0.55233%0.334SS*.THydrogen-bonded Turntrans-61.4-18.2179.8-24.933.5000114.8L378 R388L378-P382 VanDerWaalsContact O-CA 3.23Å; L378-P382 WeakPolarHBondContact O-CA 3.26Å; L378-P382 WeakPolarHBondContact O-CD 3.44Å; L378-P382 WeakPolarHBondContact O-CG 3.5Å; L378-P382 VanDerWaalsContact O-N 3.13Å; P382-R388 PolarHBondContact O-NH2 3.11Å
383S95.3Very high95.6Very high87 Ų8761.2 Ų61.261%0.60832%0.324SS*.THydrogen-bonded Turntrans-84.9-7-179.378.50000113.7N381 R385N381-S383 PolarHBondContact O-N 3.13Å; N381-S383 WeakPolarHBondContact OD1-CB 3.41Å; N381-S383 PolarHBondContact OD1-N 3.45Å; N381-S383 VanDerWaalsContact OD1-N 3.15Å; N381-S383 PolarHBondContact OD1-OG 3.42Å; S383-R385 PolarHBondContact O-N 3.49Å
384N94.4Very high95.5Very high27 Ų2761.2 Ų61.214%0.14432%0.324CS..  trans-68.793.8-178.6-170.3-32.7000111.8E351 V377 L378 N381 A386 A387 R388E351-N384 PolarHBondContact OE1-ND2 2.89Å; V377-N384 HydrophobicContact CG1-CB 4.26Å; L378-N384 HydrophobicContact CD2-CB 4.46Å; L378-N384 WeakPolarHBondContact CD2-O 3.24Å; N381-N384 HydrophobicContact CB-CB 4.43Å; N381-N384 WeakPolarHBondContact O-CB 3.18Å; N381-N384 PolarHBondContact O-N 3.14Å; N381-N384 VanDerWaalsContact O-N 3.1Å; N384-A386 VanDerWaalsContact C-N 3.27Å; N384-A386 PolarHBondContact O-N 3.23Å; N384-A386 WeakPolarHBondContact OD1-CB 3.45Å; N384-A386 PolarHBondContact OD1-N 3.39Å; N384-A386 VanDerWaalsContact OD1-N 3.09Å; N384-A387 HydrophobicContact CB-CB 4.09Å; N384-A387 PolarHBondContact O-N 2.9Å; N384-A387 PolarHBondContact OD1-N 3.3Å; N384-R388 PolarHBondContact O-N 3.24Å
385R94.9Very high95.2Very high215 Ų21565.7 Ų65.781%0.81135%0.345SS*.Hα-helixtrans-61.2-35.2179.1-62.5-176-175.1-178.20.8112.6S383 R388 A389S383-R385 PolarHBondContact O-N 3.49Å; R385-R388 PolarHBondContact O-N 3.46Å; R385-A389 PolarHBondContact O-N 3.01Å
386A94.9Very high95.1Very high45 Ų4568.5 Ų68.537%0.37235%0.352SS..Hα-helixtrans-67.7-40-178.600000111.2Y355 N384 A389 Q390Y355-A386 HydrophobicContact CE2-CB 3.99Å; Y355-A386 WeakPolarHBondContact OH-CB 3.32Å; N384-A386 VanDerWaalsContact C-N 3.27Å; N384-A386 PolarHBondContact O-N 3.23Å; N384-A386 WeakPolarHBondContact OD1-CB 3.45Å; N384-A386 PolarHBondContact OD1-N 3.39Å; N384-A386 VanDerWaalsContact OD1-N 3.09Å; A386-A389 PolarHBondContact O-N 3.19Å; A386-Q390 WeakPolarHBondContact O-CG 3.39Å; A386-Q390 PolarHBondContact O-N 3.32Å
387A94.8Very high94.8Very high0 Ų067.7 Ų67.70%035%0.348CS..Hα-helixtrans-65.5-42.7176.400000111.5Y355 F374 V377 L378 N384 A389 Q390 L391Y355-A387 HydrophobicContact CD2-CB 4.14Å; Y355-A387 HydrophobicContact CE2-CB 4.13Å; F374-A387 HydrophobicContact CD1-CB 4.42Å; V377-A387 HydrophobicContact CB-CB 4.06Å; V377-A387 HydrophobicContact CG1-CB 3.53Å; L378-A387 HydrophobicContact CD2-CB 3.95Å; L378-A387 HydrophobicContact CG-CB 4.07Å; N384-A387 HydrophobicContact CB-CB 4.09Å; N384-A387 PolarHBondContact O-N 2.9Å; N384-A387 PolarHBondContact OD1-N 3.3Å; A387-A389 VanDerWaalsContact C-N 3.34Å; A387-A389 PolarHBondContact O-N 3.48Å; A387-Q390 PolarHBondContact O-N 3.34Å; A387-L391 WeakPolarHBondContact O-CB 3.37Å; A387-L391 PolarHBondContact O-N 2.97Å
388R95.8Very high94.6Very high133 Ų13369.9 Ų69.950%0.50236%0.359SS..Hα-helixtrans-60.3-43.5175-170.2175.9-72.3129.56.7111.9L378 P382 N384 R385 L391 S392L378-R388 HydrophobicContact CD1-CB 4.43Å; L378-R388 HydrophobicContact CD2-CB 4.34Å; P382-R388 PolarHBondContact O-NH2 3.11Å; N384-R388 PolarHBondContact O-N 3.24Å; R385-R388 PolarHBondContact O-N 3.46Å; R388-L391 PolarHBondContact O-N 3.32Å; R388-S392 PolarHBondContact O-N 2.99Å; R388-S392 VanDerWaalsContact O-N 3.14Å; R388-S392 PolarHBondContact O-OG 2.71Å
389A95.7Very high94.4Very high61 Ų6174.7 Ų74.750%0.50438%0.379SS..Hα-helixtrans-63.9-44176.800000112.5R385 A386 A387 S392 S393R385-A389 PolarHBondContact O-N 3.01Å; A386-A389 PolarHBondContact O-N 3.19Å; A387-A389 VanDerWaalsContact C-N 3.34Å; A387-A389 PolarHBondContact O-N 3.48Å; A389-S392 PolarHBondContact O-N 3.23Å; A389-S393 PolarHBondContact O-N 2.84Å
390Q95.4Very high94.2Very high55 Ų5571.4 Ų71.426%0.25736%0.363SS..Hα-helixtrans-64.7-40.3176.6-68.9-60.9-21.100111.8Y355 F374 A386 A387 S392 S393 C394Y355-Q390 HydrophobicContact CE2-CG 4.44Å; F374-Q390 HydrophobicContact CD1-CB 4.06Å; F374-Q390 HydrophobicContact CD2-CB 3.91Å; F374-Q390 HydrophobicContact CE1-CB 3.74Å; F374-Q390 HydrophobicContact CE1-CG 4.06Å; F374-Q390 HydrophobicContact CE2-CB 3.58Å; F374-Q390 HydrophobicContact CE2-CG 4.42Å; F374-Q390 HydrophobicContact CG-CB 4.16Å; F374-Q390 HydrophobicContact CZ-CB 3.48Å; F374-Q390 VanDerWaalsContact CZ-CB 3.48Å; F374-Q390 HydrophobicContact CZ-CG 3.87Å; A386-Q390 WeakPolarHBondContact O-CG 3.39Å; A386-Q390 PolarHBondContact O-N 3.32Å; A387-Q390 PolarHBondContact O-N 3.34Å; Q390-S392 PolarHBondContact O-N 2.98Å; Q390-S393 CarbonylContact O-C 3.45Å; Q390-S393 WeakPolarHBondContact O-CA 3.29Å; Q390-S393 WeakPolarHBondContact O-CB 3.44Å; Q390-S393 PolarHBondContact O-N 3.37Å; Q390-S393 VanDerWaalsContact O-N 3.08Å; Q390-C394 PolarHBondContact O-N 3.34Å; Q390-C394 PolarHBondContact O-SG 3.22Å
391L94.1Very high93.9Very high22 Ų2271.3 Ų71.312%0.11536%0.358CS..Hα-helixtrans-57.9-48.3176.3-176.767000111.9I371 F374 Q375 L378 A387 R388 S393 C394 Q395I371-L391 HydrophobicContact CB-CD1 4.2Å; I371-L391 HydrophobicContact CG1-CD1 4.16Å; I371-L391 HydrophobicContact CG2-CD1 3.83Å; F374-L391 HydrophobicContact CB-CB 4.27Å; F374-L391 HydrophobicContact CB-CD1 4.31Å; Q375-L391 HydrophobicContact CG-CD1 4.01Å; Q375-L391 HydrophobicContact CG-CD2 4.32Å; L378-L391 HydrophobicContact CD1-CD2 3.97Å; A387-L391 WeakPolarHBondContact O-CB 3.37Å; A387-L391 PolarHBondContact O-N 2.97Å; R388-L391 PolarHBondContact O-N 3.32Å; L391-S393 VanDerWaalsContact C-N 3.29Å; L391-S393 PolarHBondContact O-N 3.17Å; L391-C394 WeakPolarHBondContact O-CB 3.2Å; L391-C394 PolarHBondContact O-N 2.9Å; L391-Q395 WeakPolarHBondContact O-CG 3.44Å; L391-Q395 PolarHBondContact O-N 3.36Å
392S93.8Very high93.7Very high69 Ų6973.5 Ų73.548%0.48337%0.367SS..Hα-helixtrans-61.3-38.7174.3-60.10000111.9R388 A389 Q390 R396R388-S392 PolarHBondContact O-N 2.99Å; R388-S392 VanDerWaalsContact O-N 3.14Å; R388-S392 PolarHBondContact O-OG 2.71Å; A389-S392 PolarHBondContact O-N 3.23Å; Q390-S392 PolarHBondContact O-N 2.98Å; S392-R396 WeakPolarHBondContact O-CB 3.44Å; S392-R396 PolarHBondContact O-N 3.36Å; S392-R396 VanDerWaalsContact O-N 3.07Å
393S93.2Very high93.5Very high28 Ų2873.7 Ų73.720%0.19636%0.36CS..Hα-helixtrans-64.4-40.4174.6-173.80000112.5A389 Q390 L391 K397A389-S393 PolarHBondContact O-N 2.84Å; Q390-S393 CarbonylContact O-C 3.45Å; Q390-S393 WeakPolarHBondContact O-CA 3.29Å; Q390-S393 WeakPolarHBondContact O-CB 3.44Å; Q390-S393 PolarHBondContact O-N 3.37Å; Q390-S393 VanDerWaalsContact O-N 3.08Å; L391-S393 VanDerWaalsContact C-N 3.29Å; L391-S393 PolarHBondContact O-N 3.17Å; S393-K397 WeakPolarHBondContact O-CG 3.42Å; S393-K397 PolarHBondContact O-N 2.99Å
394C93.7Very high93.3Very high0 Ų075 Ų750%036%0.357CS..Hα-helixtrans-63.2-47.2177-68.40000111.2L362 I371 Q390 L391 R396 K397 M398L362-C394 HydrophobicContact CD1-CB 4.47Å; L362-C394 VanDerWaalsContact CD1-SG 3.54Å; I371-C394 HydrophobicContact CD1-CB 4.15Å; I371-C394 HydrophobicContact CG1-CB 3.55Å; Q390-C394 PolarHBondContact O-N 3.34Å; Q390-C394 PolarHBondContact O-SG 3.22Å; L391-C394 WeakPolarHBondContact O-CB 3.2Å; L391-C394 PolarHBondContact O-N 2.9Å; C394-R396 VanDerWaalsContact C-N 3.33Å; C394-R396 PolarHBondContact O-N 2.69Å; C394-K397 PolarHBondContact O-N 3.21Å; C394-M398 VanDerWaalsContact O-CB 3.29Å; C394-M398 WeakPolarHBondContact O-CB 3.42Å; C394-M398 PolarHBondContact O-N 2.98Å
395Q92.5Very high93.2Very high93 Ų9377.2 Ų77.244%0.43537%0.367SS..Hα-helixtrans-60.4-43178.6-71.6173.3-18.300111.8I371 L391 M398 K399I371-Q395 HydrophobicContact CD1-CG 4.21Å; L391-Q395 WeakPolarHBondContact O-CG 3.44Å; L391-Q395 PolarHBondContact O-N 3.36Å; Q395-M398 PolarHBondContact O-N 3.48Å; Q395-K399 PolarHBondContact O-N 3.03Å; Q395-K399 VanDerWaalsContact O-N 3.07Å
396R93.8Very high93.1Very high145 Ų14574 Ų7455%0.54736%0.358SS..Hα-helixtrans-61.7-51.2175.7-178.3171.664.998-9.5111.7S392 C394 M398 K399 E400S392-R396 WeakPolarHBondContact O-CB 3.44Å; S392-R396 PolarHBondContact O-N 3.36Å; S392-R396 VanDerWaalsContact O-N 3.07Å; C394-R396 VanDerWaalsContact C-N 3.33Å; C394-R396 PolarHBondContact O-N 2.69Å; R396-M398 VanDerWaalsContact C-N 3.3Å; R396-M398 PolarHBondContact O-N 3.02Å; R396-K399 PolarHBondContact O-N 3.1Å; R396-E400 WeakPolarHBondContact CG-OE1 3.11Å; R396-E400 IonicContact CZ-OE1 3.27Å; R396-E400 IonicContact NH1-OE1 3.56Å; R396-E400 PolarHBondContact NH1-OE1 3.01Å; R396-E400 WeakPolarHBondContact O-CG 3.39Å; R396-E400 PolarHBondContact O-N 3.13Å
397K92.8Very high93Very high68 Ų6878.4 Ų78.430%0.29637%0.369SS..Hα-helixtrans-62.5-35.9178.7-75.6-172175-172.60113.1L362 Y367 S393 C394 E400 H401L362-K397 HydrophobicContact CD1-CD 4.11Å; Y367-K397 HydrophobicContact CD1-CB 4.01Å; Y367-K397 HydrophobicContact CE1-CB 3.58Å; Y367-K397 HydrophobicContact CE1-CD 3.85Å; Y367-K397 HydrophobicContact CE1-CG 4.39Å; S393-K397 WeakPolarHBondContact O-CG 3.42Å; S393-K397 PolarHBondContact O-N 2.99Å; C394-K397 PolarHBondContact O-N 3.21Å; K397-E400 PolarHBondContact O-N 2.62Å; K397-H401 WeakPolarHBondContact O-CB 3.47Å; K397-H401 PolarHBondContact O-N 3.1Å
398M92.7Very high92.9Very high47 Ų4782.6 Ų82.623%0.23239%0.391CS..Hα-helixtrans-62.3-44.5174.9-176.4-177.573.400111.1Y367 N368 I371 C394 Q395 R396 H401 Q402Y367-M398 HydrophobicContact CG-CB 4.38Å; N368-M398 PolarHBondContact OD1-SD 2.9Å; N368-M398 VanDerWaalsContact OD1-SD 3.34Å; I371-M398 HydrophobicContact CD1-CE 4.43Å; I371-M398 HydrophobicContact CD1-SD 3.97Å; C394-M398 VanDerWaalsContact O-CB 3.29Å; C394-M398 WeakPolarHBondContact O-CB 3.42Å; C394-M398 PolarHBondContact O-N 2.98Å; Q395-M398 PolarHBondContact O-N 3.48Å; R396-M398 VanDerWaalsContact C-N 3.3Å; R396-M398 PolarHBondContact O-N 3.02Å; M398-H401 PolarHBondContact O-N 3.35Å; M398-Q402 WeakPolarHBondContact O-CG 3.48Å; M398-Q402 PolarHBondContact O-N 3.36Å
399K91.9Very high92.8Very high130 Ų13082.5 Ų82.557%0.56539%0.391SS*.Hα-helixtrans-64.1-45.4176-170.9179.6177.5-175.90111.6Q395 R396 H401 Q402 E403Q395-K399 PolarHBondContact O-N 3.03Å; Q395-K399 VanDerWaalsContact O-N 3.07Å; R396-K399 PolarHBondContact O-N 3.1Å; K399-H401 VanDerWaalsContact C-N 3.32Å; K399-H401 PolarHBondContact O-N 3.42Å; K399-Q402 PolarHBondContact O-N 3.18Å; K399-E403 VanDerWaalsContact CE-OE1 3.23Å; K399-E403 WeakPolarHBondContact CE-OE1 3.43Å; K399-E403 WeakPolarHBondContact O-CG 3.41Å; K399-E403 PolarHBondContact O-N 3.32Å
400E91.9Very high92.7Very high78 Ų7882.2 Ų82.236%0.36439%0.389SS..Hα-helixtrans-57.7-43.4175.4-70.8169.2-172.600111.4R396 K397 E403 Q404R396-E400 WeakPolarHBondContact CG-OE1 3.11Å; R396-E400 IonicContact CZ-OE1 3.27Å; R396-E400 IonicContact NH1-OE1 3.56Å; R396-E400 PolarHBondContact NH1-OE1 3.01Å; R396-E400 WeakPolarHBondContact O-CG 3.39Å; R396-E400 PolarHBondContact O-N 3.13Å; K397-E400 PolarHBondContact O-N 2.62Å; E400-E403 PolarHBondContact O-N 3.23Å; E400-Q404 WeakPolarHBondContact O-CG 3.43Å; E400-Q404 PolarHBondContact O-N 3.33Å
401H90.1Very high92.6Very high67 Ų6784.1 Ų84.131%0.3140%0.401SS..Hα-helixtrans-64.3-47177.4-170.3-89.6000112.3Y367 K397 M398 K399 E403 Q404 E405Y367-H401 HydrophobicContact CE2-CB 3.94Å; K397-H401 WeakPolarHBondContact O-CB 3.47Å; K397-H401 PolarHBondContact O-N 3.1Å; M398-H401 PolarHBondContact O-N 3.35Å; K399-H401 VanDerWaalsContact C-N 3.32Å; K399-H401 PolarHBondContact O-N 3.42Å; H401-E403 VanDerWaalsContact C-N 3.29Å; H401-E403 PolarHBondContact O-N 2.86Å; H401-Q404 WeakPolarHBondContact O-CB 3.44Å; H401-Q404 PolarHBondContact O-N 3.26Å; H401-Q404 VanDerWaalsContact O-N 3.17Å; H401-E405 IonicContact CE1-OE1 3.21Å; H401-E405 PolarHBondContact CE1-OE1 3.05Å; H401-E405 IonicContact CE1-OE2 2.68Å; H401-E405 VanDerWaalsContact ND1-CD 3.29Å; H401-E405 IonicContact ND1-OE1 3.35Å; H401-E405 IonicContact ND1-OE2 3.74Å; H401-E405 PolarHBondContact ND1-OE2 3.37Å; H401-E405 WeakPolarHBondContact O-CG 3.27Å; H401-E405 PolarHBondContact O-N 3Å
402Q90.1Very high92.5Very high88 Ų8887.5 Ų87.541%0.41142%0.417SS..Hα-helixtrans-61.8-37.6177.6-72.7175.3-0.400112.2M398 K399 K406M398-Q402 WeakPolarHBondContact O-CG 3.48Å; M398-Q402 PolarHBondContact O-N 3.36Å; K399-Q402 PolarHBondContact O-N 3.18Å; Q402-K406 WeakPolarHBondContact O-CB 3.36Å; Q402-K406 VanDerWaalsContact O-CG 3.26Å; Q402-K406 WeakPolarHBondContact O-CG 3.32Å; Q402-K406 PolarHBondContact O-N 3.18Å
403E92.6Very high92.5Very high89 Ų8991.3 Ų91.342%0.41643%0.425SS..Hα-helixtrans-67.6-39.5175-73.7175.2-169.800112.1K399 E400 H401 K407K399-E403 VanDerWaalsContact CE-OE1 3.23Å; K399-E403 WeakPolarHBondContact CE-OE1 3.43Å; K399-E403 WeakPolarHBondContact O-CG 3.41Å; K399-E403 PolarHBondContact O-N 3.32Å; E400-E403 PolarHBondContact O-N 3.23Å; H401-E403 VanDerWaalsContact C-N 3.29Å; H401-E403 PolarHBondContact O-N 2.86Å; E403-K407 WeakPolarHBondContact O-CG 3.45Å; E403-K407 PolarHBondContact O-N 2.88Å; E403-K407 VanDerWaalsContact O-N 3.11Å
404Q91.2Very high92.4Very high115 Ų11595.2 Ų95.254%0.53744%0.441SS..Hα-helixtrans-64.7-46.7174.1-74.9176.10.800111.7E400 H401 K406 K407 I408E400-Q404 WeakPolarHBondContact O-CG 3.43Å; E400-Q404 PolarHBondContact O-N 3.33Å; H401-Q404 WeakPolarHBondContact O-CB 3.44Å; H401-Q404 PolarHBondContact O-N 3.26Å; H401-Q404 VanDerWaalsContact O-N 3.17Å; Q404-K406 PolarHBondContact O-N 3.1Å; Q404-K407 WeakPolarHBondContact O-CB 3.42Å; Q404-K407 PolarHBondContact O-N 2.73Å; Q404-I408 VanDerWaalsContact O-CG1 3.29Å; Q404-I408 WeakPolarHBondContact O-CG1 3.49Å; Q404-I408 PolarHBondContact O-N 3.15Å
405E90.6Very high92.3Very high74 Ų74102.3 Ų102.335%0.34647%0.471SS..Hα-helixtrans-57.4-48.4175.6-75.6-179.8138.700110.9H401 K407 I408 Y409H401-E405 IonicContact CE1-OE1 3.21Å; H401-E405 PolarHBondContact CE1-OE1 3.05Å; H401-E405 IonicContact CE1-OE2 2.68Å; H401-E405 VanDerWaalsContact ND1-CD 3.29Å; H401-E405 IonicContact ND1-OE1 3.35Å; H401-E405 IonicContact ND1-OE2 3.74Å; H401-E405 PolarHBondContact ND1-OE2 3.37Å; H401-E405 WeakPolarHBondContact O-CG 3.27Å; H401-E405 PolarHBondContact O-N 3Å; E405-K407 VanDerWaalsContact C-N 3.29Å; E405-K407 PolarHBondContact O-N 3.03Å; E405-I408 PolarHBondContact O-N 2.99Å; E405-I408 VanDerWaalsContact O-N 3.1Å; E405-Y409 HydrophobicContact CB-CD2 4.25Å; E405-Y409 HydrophobicContact CB-CE2 4.2Å; E405-Y409 WeakPolarHBondContact O-CD2 3.48Å; E405-Y409 PolarHBondContact O-N 3.16Å
406K93.4Very high92.3Very high147 Ų147103.8 Ų103.864%0.63948%0.476SS*.Hα-helixtrans-54.6-44176.1-77.1174.5-176.9-179.60112.3Q402 Q404 A410Q402-K406 WeakPolarHBondContact O-CB 3.36Å; Q402-K406 VanDerWaalsContact O-CG 3.26Å; Q402-K406 WeakPolarHBondContact O-CG 3.32Å; Q402-K406 PolarHBondContact O-N 3.18Å; Q404-K406 PolarHBondContact O-N 3.1Å; K406-A410 VanDerWaalsContact O-CB 3.28Å; K406-A410 WeakPolarHBondContact O-CB 3.46Å; K406-A410 PolarHBondContact O-N 2.9Å
407K93.9Very high92.1Very high137 Ų13799.4 Ų99.460%0.59647%0.472SS*.Hα-helixtrans-64.9-44.1176.4-74.3172.3180174.60112E403 Q404 E405 A410 N411E403-K407 WeakPolarHBondContact O-CG 3.45Å; E403-K407 PolarHBondContact O-N 2.88Å; E403-K407 VanDerWaalsContact O-N 3.11Å; Q404-K407 WeakPolarHBondContact O-CB 3.42Å; Q404-K407 PolarHBondContact O-N 2.73Å; E405-K407 VanDerWaalsContact C-N 3.29Å; E405-K407 PolarHBondContact O-N 3.03Å; K407-A410 PolarHBondContact O-N 3.17Å; K407-N411 WeakPolarHBondContact O-CB 3.46Å; K407-N411 PolarHBondContact O-N 3.06Å; K407-N411 PolarHBondContact O-ND2 3.48Å
408I92.5Very high91.9Very high88 Ų88100.3 Ų100.345%0.45148%0.477SS..Hα-helixtrans-61.7-49178.6-69.5166.8000110.2Q404 E405 N411 M412Q404-I408 VanDerWaalsContact O-CG1 3.29Å; Q404-I408 WeakPolarHBondContact O-CG1 3.49Å; Q404-I408 PolarHBondContact O-N 3.15Å; E405-I408 PolarHBondContact O-N 2.99Å; E405-I408 VanDerWaalsContact O-N 3.1Å; I408-N411 PolarHBondContact O-N 2.99Å; I408-M412 HydrophobicContact CG2-CE 3.56Å; I408-M412 HydrophobicContact CG2-SD 4.28Å; I408-M412 WeakPolarHBondContact O-CG 3.42Å; I408-M412 PolarHBondContact O-N 3.24Å
409Y93.3Very high91.5Very high132 Ų132106.4 Ų106.452%0.51850%0.497SS..Hα-helixtrans-62.2-46.4177.6-76.6-67.5000111.6E405 N411 M412 F413E405-Y409 HydrophobicContact CB-CD2 4.25Å; E405-Y409 HydrophobicContact CB-CE2 4.2Å; E405-Y409 WeakPolarHBondContact O-CD2 3.48Å; E405-Y409 PolarHBondContact O-N 3.16Å; Y409-N411 VanDerWaalsContact C-N 3.31Å; Y409-N411 PolarHBondContact O-N 3.14Å; Y409-M412 PolarHBondContact O-N 3.48Å; Y409-M412 VanDerWaalsContact O-N 3.14Å; Y409-F413 WeakPolarHBondContact O-CD2 3.26Å; Y409-F413 PolarHBondContact O-N 3.31Å
410A93.6Very high91.2Very high55 Ų55105.6 Ų105.646%0.45550%0.499SS..Hα-helixtrans-56.5-45.2176.600000112.1K406 K407 F413 Q414K406-A410 VanDerWaalsContact O-CB 3.28Å; K406-A410 WeakPolarHBondContact O-CB 3.46Å; K406-A410 PolarHBondContact O-N 2.9Å; K407-A410 PolarHBondContact O-N 3.17Å; A410-F413 PolarHBondContact O-N 3.41Å; A410-Q414 PolarHBondContact O-N 3.32Å
411N93.8Very high90.9Very high95 Ų95105.3 Ų105.351%0.50851%0.505SS..Hα-helixtrans-65.6-38.5176.9-71.5-18.3000112.6K407 I408 Y409 K415K407-N411 WeakPolarHBondContact O-CB 3.46Å; K407-N411 PolarHBondContact O-N 3.06Å; K407-N411 PolarHBondContact O-ND2 3.48Å; I408-N411 PolarHBondContact O-N 2.99Å; Y409-N411 VanDerWaalsContact C-N 3.31Å; Y409-N411 PolarHBondContact O-N 3.14Å; N411-K415 WeakPolarHBondContact O-CG 3.49Å; N411-K415 PolarHBondContact O-N 3.31Å
412M90.8Very high90.3Very high92 Ų92108.9 Ų108.945%0.45352%0.52SS..Hα-helixtrans-64.5-46.8174.4-74.9-176.8-173.200111.4I408 Y409 Q414 K415 F416I408-M412 HydrophobicContact CG2-CE 3.56Å; I408-M412 HydrophobicContact CG2-SD 4.28Å; I408-M412 WeakPolarHBondContact O-CG 3.42Å; I408-M412 PolarHBondContact O-N 3.24Å; Y409-M412 PolarHBondContact O-N 3.48Å; Y409-M412 VanDerWaalsContact O-N 3.14Å; M412-Q414 VanDerWaalsContact C-N 3.32Å; M412-Q414 PolarHBondContact O-N 2.89Å; M412-K415 PolarHBondContact O-N 2.69Å; M412-F416 HydrophobicContact CB-CD2 4.42Å; M412-F416 HydrophobicContact CB-CE2 4.08Å; M412-F416 WeakPolarHBondContact O-CD2 3.23Å; M412-F416 WeakPolarHBondContact O-CG 3.35Å; M412-F416 PolarHBondContact O-N 3.1Å
413F93.8Very high89.5Confident149 Ų149108.7 Ų108.765%0.65453%0.525SS*.Hα-helixtrans-57.8-44.1175.8-87.3-72.6000111.8Y409 A410 F416 A417Y409-F413 WeakPolarHBondContact O-CD2 3.26Å; Y409-F413 PolarHBondContact O-N 3.31Å; A410-F413 PolarHBondContact O-N 3.41Å; F413-F416 PolarHBondContact O-N 3.05Å; F413-A417 WeakPolarHBondContact O-CB 3.49Å; F413-A417 PolarHBondContact O-N 2.86Å
414Q91.6Very high88.4Confident111 Ų111106 Ų10652%0.51952%0.522SS..Hα-helixtrans-62.2-45.6176.3-174.4176.4-8.200111.9A410 M412 F416 A417 E418A410-Q414 PolarHBondContact O-N 3.32Å; M412-Q414 VanDerWaalsContact C-N 3.32Å; M412-Q414 PolarHBondContact O-N 2.89Å; Q414-F416 VanDerWaalsContact C-N 3.34Å; Q414-F416 PolarHBondContact O-N 3.42Å; Q414-A417 PolarHBondContact O-N 3.28Å; Q414-E418 PolarHBondContact NE2-OE1 3.16Å; Q414-E418 WeakPolarHBondContact O-CB 3.24Å; Q414-E418 WeakPolarHBondContact O-CG 3.27Å; Q414-E418 PolarHBondContact O-N 3.42Å
415K91.4Very high87.3Confident149 Ų149109.6 Ų109.665%0.64853%0.53SS*.Hα-helixtrans-61.6-39.9176.8-78.9-176.7177.5-178.30112.7N411 M412 R419N411-K415 WeakPolarHBondContact O-CG 3.49Å; N411-K415 PolarHBondContact O-N 3.31Å; M412-K415 PolarHBondContact O-N 2.69Å; K415-R419 WeakPolarHBondContact O-CB 3.43Å; K415-R419 PolarHBondContact O-N 3.08Å
416F91.8Very high85.7Confident123 Ų123113.1 Ų113.154%0.53955%0.548SS..Hα-helixtrans-66.9-45175.7-67.5-49.3000111.4M412 F413 Q414 E418 R419 D420M412-F416 HydrophobicContact CB-CD2 4.42Å; M412-F416 HydrophobicContact CB-CE2 4.08Å; M412-F416 WeakPolarHBondContact O-CD2 3.23Å; M412-F416 WeakPolarHBondContact O-CG 3.35Å; M412-F416 PolarHBondContact O-N 3.1Å; F413-F416 PolarHBondContact O-N 3.05Å; Q414-F416 VanDerWaalsContact C-N 3.34Å; Q414-F416 PolarHBondContact O-N 3.42Å; F416-E418 VanDerWaalsContact C-N 3.32Å; F416-E418 PolarHBondContact O-N 2.81Å; F416-R419 PolarHBondContact O-N 2.84Å; F416-R419 VanDerWaalsContact O-N 3.11Å; F416-D420 PolarHBondContact O-N 3.27Å
417A90.1Very high84.2Confident54 Ų54112.9 Ų112.945%0.44655%0.548SS..Hα-helixtrans-60.3-39.8175.900000112.6F413 Q414 S421F413-A417 WeakPolarHBondContact O-CB 3.49Å; F413-A417 PolarHBondContact O-N 2.86Å; Q414-A417 PolarHBondContact O-N 3.28Å; A417-S421 VanDerWaalsContact O-CB 3.29Å; A417-S421 WeakPolarHBondContact O-CB 3.43Å; A417-S421 PolarHBondContact O-N 3.41Å; A417-S421 PolarHBondContact O-OG 3.19Å
418E88.7Confident82.6Confident87 Ų87115.6 Ų115.641%0.40755%0.554SS.*Hα-helixtrans-65.4-39.9174.3-75.6176.6-164.500112.2Q414 F416 S421 K422Q414-E418 PolarHBondContact NE2-OE1 3.16Å; Q414-E418 WeakPolarHBondContact O-CB 3.24Å; Q414-E418 WeakPolarHBondContact O-CG 3.27Å; Q414-E418 PolarHBondContact O-N 3.42Å; F416-E418 VanDerWaalsContact C-N 3.32Å; F416-E418 PolarHBondContact O-N 2.81Å; E418-S421 PolarHBondContact O-N 3.38Å; E418-K422 WeakPolarHBondContact O-CB 3.48Å; E418-K422 VanDerWaalsContact O-CG 3.31Å; E418-K422 WeakPolarHBondContact O-CG 3.48Å; E418-K422 PolarHBondContact O-N 3.48Å
419R84.4Confident81Confident174 Ų174120.6 Ų120.666%0.65757%0.567SS**Hα-helixtrans-66.8-43.2177.1-172.1177.9-177164.90.4111.6K415 F416 S421 K422 T423K415-R419 WeakPolarHBondContact O-CB 3.43Å; K415-R419 PolarHBondContact O-N 3.08Å; F416-R419 PolarHBondContact O-N 2.84Å; F416-R419 VanDerWaalsContact O-N 3.11Å; R419-S421 VanDerWaalsContact C-N 3.33Å; R419-K422 PolarHBondContact O-N 3.29Å; R419-T423 WeakPolarHBondContact O-CB 3.34Å; R419-T423 PolarHBondContact O-N 2.92Å; R419-T423 PolarHBondContact O-OG1 3.49Å
420D86.6Confident79.2Confident114 Ų114121.4 Ų121.461%0.6157%0.574SS**Hα-helixtrans-64.8-41.1176.6-70.8-11.5000110.9F416 K422 T423 G424F416-D420 PolarHBondContact O-N 3.27Å; D420-K422 PolarHBondContact O-N 3.41Å; D420-T423 PolarHBondContact O-N 2.64Å; D420-G424 PolarHBondContact O-N 3.15Å
421S84Confident77.5Confident71 Ų71123.1 Ų123.150%0.49758%0.575SS.*Hα-helixtrans-62.9-41.8174.5-62.40000112.5A417 E418 R419 R425A417-S421 VanDerWaalsContact O-CB 3.29Å; A417-S421 WeakPolarHBondContact O-CB 3.43Å; A417-S421 PolarHBondContact O-N 3.41Å; A417-S421 PolarHBondContact O-OG 3.19Å; E418-S421 PolarHBondContact O-N 3.38Å; R419-S421 VanDerWaalsContact C-N 3.33Å; S421-R425 WeakPolarHBondContact O-CB 3.48Å; S421-R425 WeakPolarHBondContact O-CG 3.48Å; S421-R425 PolarHBondContact O-N 2.91Å
422K78.7Confident75.8Confident143 Ų143125.3 Ų125.362%0.62258%0.582SS**Hα-helixtrans-66.4-41.9175.5-77.1174.4-177.3172.90112E418 R419 D420 R425 M426E418-K422 WeakPolarHBondContact O-CB 3.48Å; E418-K422 VanDerWaalsContact O-CG 3.31Å; E418-K422 WeakPolarHBondContact O-CG 3.48Å; E418-K422 PolarHBondContact O-N 3.48Å; R419-K422 PolarHBondContact O-N 3.29Å; D420-K422 PolarHBondContact O-N 3.41Å; K422-R425 PolarHBondContact O-N 3.19Å; K422-M426 PolarHBondContact O-N 3.46Å
423T72.9Confident74.2Confident83 Ų83124.6 Ų124.651%0.50959%0.586SS.*Hα-helixtrans-66.8-42.4177.8-50.80000111R419 D420 M426 K427R419-T423 WeakPolarHBondContact O-CB 3.34Å; R419-T423 PolarHBondContact O-N 2.92Å; R419-T423 PolarHBondContact O-OG1 3.49Å; D420-T423 PolarHBondContact O-N 2.64Å; T423-M426 PolarHBondContact O-N 3.24Å; T423-K427 WeakPolarHBondContact O-CB 3.32Å; T423-K427 PolarHBondContact O-N 3Å
424G69.1Low72.3Confident34 Ų34120.9 Ų120.935%0.35158%0.576SS.*Hα-helixtrans-63-39.8173.600000113.1D420 K427 R428D420-G424 PolarHBondContact O-N 3.15Å; G424-K427 PolarHBondContact O-N 2.86Å; G424-R428 WeakPolarHBondContact O-CG 3.46Å; G424-R428 PolarHBondContact O-N 3.19Å
425R67.8Low70.5Confident189 Ų189125.2 Ų125.271%0.71359%0.587SS**Hα-helixtrans-65.9-40.4173-78.4179.2178.1-173.30.6112.6S421 K422 R429S421-R425 WeakPolarHBondContact O-CB 3.48Å; S421-R425 WeakPolarHBondContact O-CG 3.48Å; S421-R425 PolarHBondContact O-N 2.91Å; K422-R425 PolarHBondContact O-N 3.19Å; R425-R429 WeakPolarHBondContact O-CB 3.49Å; R425-R429 WeakPolarHBondContact O-CG 3.41Å; R425-R429 PolarHBondContact O-N 3.23Å
426M56.7Low68.6Low148 Ų148121 Ų12173%0.72959%0.586SS**Hα-helixtrans-63-42.4173.3-99.6-179.4-178.800112K422 T423 R429 K430K422-M426 PolarHBondContact O-N 3.46Å; T423-M426 PolarHBondContact O-N 3.24Å; M426-R429 PolarHBondContact O-N 3.2Å; M426-K430 WeakPolarHBondContact O-CB 3.31Å; M426-K430 PolarHBondContact O-N 3.04Å
427K62.5Low66.6Low143 Ų143120 Ų12062%0.62259%0.594SS**Hα-helixtrans-64.7-44.8178-162.5173.7-177.8179.50111.6T423 G424 K430 D431T423-K427 WeakPolarHBondContact O-CB 3.32Å; T423-K427 PolarHBondContact O-N 3Å; G424-K427 PolarHBondContact O-N 2.86Å; K427-K430 WeakPolarHBondContact O-CB 3.46Å; K427-K430 PolarHBondContact O-N 3.12Å; K427-D431 VanDerWaalsContact O-CG 3.29Å; K427-D431 PolarHBondContact O-N 2.87Å
428R61.2Low64.5Low193 Ų193124.2 Ų124.273%0.72861%0.606SS**Hα-helixtrans-61.5-43.2174.3-75.8-178.1178179.50.1113.1G424 K430 D431 E432G424-R428 WeakPolarHBondContact O-CG 3.46Å; G424-R428 PolarHBondContact O-N 3.19Å; R428-K430 VanDerWaalsContact C-N 3.31Å; R428-K430 PolarHBondContact O-N 2.81Å; R428-D431 PolarHBondContact O-N 3.43Å; R428-E432 PolarHBondContact O-N 3.05Å
429R58.6Low62.3Low193 Ų193127.8 Ų127.873%0.72863%0.629SS**Hα-helixtrans-61.9-38.4174.4-81.2-177172.3-175.8-3.1112.3R425 M426 S433R425-R429 WeakPolarHBondContact O-CB 3.49Å; R425-R429 WeakPolarHBondContact O-CG 3.41Å; R425-R429 PolarHBondContact O-N 3.23Å; M426-R429 PolarHBondContact O-N 3.2Å; R429-S433 PolarHBondContact O-N 3.19Å; R429-S433 VanDerWaalsContact O-N 3.07Å; R429-S433 PolarHBondContact O-OG 2.91Å
430K55.9Low60.5Low150 Ų150122.6 Ų122.665%0.65263%0.629SS**Hα-helixtrans-64-48.6174.6-164.1174.7-178.5178.40110.3M426 K427 R428 E432 S433 T434M426-K430 WeakPolarHBondContact O-CB 3.31Å; M426-K430 PolarHBondContact O-N 3.04Å; K427-K430 WeakPolarHBondContact O-CB 3.46Å; K427-K430 PolarHBondContact O-N 3.12Å; R428-K430 VanDerWaalsContact C-N 3.31Å; R428-K430 PolarHBondContact O-N 2.81Å; K430-E432 PolarHBondContact O-N 3.12Å; K430-S433 PolarHBondContact O-N 3.15Å; K430-S433 PolarHBondContact O-OG 3.4Å; K430-T434 PolarHBondContact O-N 3.3Å; K430-T434 PolarHBondContact O-OG1 2.74Å
431D57.5Low58.6Low90 Ų90124.5 Ų124.548%0.48164%0.639SS.*Hα-helixtrans-64.2-35.4-180-65-24.2000113.4K427 R428 T434 R435K427-D431 VanDerWaalsContact O-CG 3.29Å; K427-D431 PolarHBondContact O-N 2.87Å; R428-D431 PolarHBondContact O-N 3.43Å; D431-T434 PolarHBondContact O-N 2.97Å; D431-R435 PolarHBondContact O-N 2.97Å; D431-R435 VanDerWaalsContact O-N 3.07Å
432E57.5Low56.3Low142 Ų142128.1 Ų128.166%0.66466%0.658SS**Hα-helixtrans-68.2-39.4172.5-79.3178.416800112.5R428 K430 T434 R435 G436R428-E432 PolarHBondContact O-N 3.05Å; K430-E432 PolarHBondContact O-N 3.12Å; E432-T434 VanDerWaalsContact C-N 3.34Å; E432-T434 PolarHBondContact O-N 3.39Å; E432-R435 PolarHBondContact O-N 3.42Å; E432-G436 PolarHBondContact O-N 3.19Å
433S56.6Low54.2Low77 Ų77124.5 Ų124.554%0.53866%0.661SS.*Hα-helixtrans-65.2-35.9174.5690000112.7R429 K430 G436 S437R429-S433 PolarHBondContact O-N 3.19Å; R429-S433 VanDerWaalsContact O-N 3.07Å; R429-S433 PolarHBondContact O-OG 2.91Å; K430-S433 PolarHBondContact O-N 3.15Å; K430-S433 PolarHBondContact O-OG 3.4Å; S433-G436 PolarHBondContact O-N 3.2Å; S433-S437 PolarHBondContact O-N 3.25Å
434T55.6Low52.5Low70 Ų70128.2 Ų128.243%0.42968%0.676SS.*Hα-helixtrans-69.3-36.8175-26.70000111.9K430 D431 E432 S437 M438K430-T434 PolarHBondContact O-N 3.3Å; K430-T434 PolarHBondContact O-OG1 2.74Å; D431-T434 PolarHBondContact O-N 2.97Å; E432-T434 VanDerWaalsContact C-N 3.34Å; E432-T434 PolarHBondContact O-N 3.39Å; T434-S437 PolarHBondContact O-N 2.93Å; T434-M438 PolarHBondContact O-N 2.95Å
435R53.9Low51Low202 Ų202134.9 Ų134.976%0.76270%0.695SS**Hα-helixtrans-70.1-35.5174.8-84.3-178.3171.1176.8-1.4113D431 E432 S437 M438D431-R435 PolarHBondContact O-N 2.97Å; D431-R435 VanDerWaalsContact O-N 3.07Å; E432-R435 PolarHBondContact O-N 3.42Å; R435-S437 PolarHBondContact O-N 2.96Å; R435-M438 PolarHBondContact O-N 3.03Å
436G50.4Low49.4Very low60 Ų60135.5 Ų135.562%0.61970%0.698SS**Hα-helixtrans-63.4-28.6172.700000113.3E432 S433E432-G436 PolarHBondContact O-N 3.19Å; S433-G436 PolarHBondContact O-N 3.2Å
437S50.2Low48.4Very low102 Ų102138.9 Ų138.971%0.71370%0.702SS**THydrogen-bonded Turntrans-85.1-9.7179-156.30000114.5S433 T434 R435S433-S437 PolarHBondContact O-N 3.25Å; T434-S437 PolarHBondContact O-N 2.93Å; R435-S437 PolarHBondContact O-N 2.96Å
438M46.2Very low47.2Very low143 Ų143143.7 Ų143.770%0.70472%0.716SS**SBendtrans-98.8-1.5-178.8-80.5-174.9163.700114.5T434 R435 G440T434-M438 PolarHBondContact O-N 2.95Å; R435-M438 PolarHBondContact O-N 3.03Å; M438-G440 PolarHBondContact O-N 3.35Å
439N42.7Very low46Very low163 Ų163146.4 Ų146.487%0.87273%0.727SS**SBendtrans-82.122.3172.8-89.2-4.1000113.6
440G46.1Very low45.1Very low64 Ų64142 Ų14266%0.6673%0.726SS**SBendtrans-134.740.2-179.300000113.3M438M438-G440 PolarHBondContact O-N 3.35Å
441D45.9Very low44.4Very low154 Ų154142.6 Ų142.682%0.82473%0.731SS**  trans-175.5119.9149.2-123.6-21.7000111.2
442V37Very low43.4Very low148 Ų148144.7 Ų144.790%0.89774%0.742SS**  trans-127.188.9166.1-175.30000108.9
443G34.8Very low42.4Very low66 Ų66143.8 Ų143.868%0.6875%0.75SS**  trans-97.8109.9165.600000112.5
444I36.9Very low42.4Very low161 Ų161145.8 Ų145.883%0.82676%0.761SS**  trans48.3103.6136.6-52.2177.2000120.2
445K37Very low41.8Very low174 Ų174151.5 Ų151.576%0.75780%0.804SS**  33.5134.7129-80.5-179.1-179.1169.60123.7
446R34.3Very low41.2Very low202 Ų202149 Ų14976%0.76281%0.806SS**  trans79146.4140.1-75.6177.6173-177.7-0.9116.2
447R34.7Very low40.7Very low220 Ų220153.6 Ų153.683%0.8382%0.816SS**  cis-161.3155.917.1-136.1174.1179.9-177.5-2110.1
448R38.5Very low40.2Very low243 Ų243156.5 Ų156.592%0.91782%0.821SS**  trans-55.3150.7172.9-69.7174.3170.9173-4.8114.5
449R36.2Very low39.9Very low251 Ų251157.3 Ų157.395%0.94783%0.828SS**  -151.6140.5125.3-112.9178.3-175.6-169.5-0.1111.5
450S39.6Very low39.7Very low101 Ų101156.9 Ų156.971%0.70683%0.825SS**  trans-94.7177.4-175.245.40000111.7
451Q40.3Very low39.3Very low162 Ų162163.1 Ų163.176%0.75784%0.836SS**  trans97137.7165.3-57.2-166.7-72.400114.5
452D36.4Very low38.8Very low134 Ų134163.8 Ų163.872%0.71784%0.837SS**  cis-171.2144.7-11.7-98.6-29.2000103.8
453C36.6Very low38.9Very low123 Ų123165 Ų16583%0.83183%0.833SS**  trans-72.7175.4159.9-74.20000109.1
454P56.6Low39.3Very low118 Ų118173.3 Ų173.377%0.76685%0.845SS**  cis-135.7169.616.332.3-8.2000113.8
455S44.2Very low39.5Very low190 Ų190174.4 Ų174.4100%1.32985%0.847SS**  -165.6068.7-540000110.8

Retrieved 455 of 455 residues in 3669.6 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).