A0A9U4K7N3_SCHMA Loading...

Creatine kinase AlphaSync

AlphaFold DB , UniProt , Accession A0A9U4K7N3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 716 aa.

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

 

Download Structure   AlphaSync Parameters   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
1M97.8Very high98.5Very high67 Ų6762.9 Ų62.933%0.3333%0.333SS..  0126.10-178.7-172.9-17400110.8V3 Q48 P135 I199M1-V3 HydrophobicContact CE-CG1 3.74Å; M1-V3 HydrophobicContact CG-CG1 3.97Å; M1-V3 HydrophobicContact SD-CG1 3.99Å; M1-Q48 PolarHBondContact O-NE2 3.27Å; M1-P135 HydrophobicContact CB-CB 4.13Å; M1-P135 PolarHBondContact N-O 3.21Å; M1-P135 HydrophobicContact SD-CB 4.04Å; M1-P135 HydrophobicContact SD-CG 3.99Å; M1-I199 HydrophobicContact CB-CD1 3.72Å; M1-I199 HydrophobicContact CG-CD1 3.82Å; M1-I199 HydrophobicContact SD-CD1 4.22Å
2Q98.3Very high98.5Very high199 Ų19964.8 Ų64.893%0.9334%0.336SS*.  trans-86.7131.5172.2-67.4178.8-14.200109.6
3V98.3Very high98.5Very high44 Ų4459.8 Ų59.827%0.26731%0.311SS..  trans-139.5166.5179-65.30000109.5M1 A47 Q48 N51M1-V3 HydrophobicContact CE-CG1 3.74Å; M1-V3 HydrophobicContact CG-CG1 3.97Å; M1-V3 HydrophobicContact SD-CG1 3.99Å; V3-A47 HydrophobicContact CG2-CB 3.82Å; V3-Q48 HydrophobicContact CG1-CG 4.41Å; V3-Q48 HydrophobicContact CG2-CG 3.88Å; V3-N51 HydrophobicContact CG1-CB 4.08Å; V3-N51 WeakPolarHBondContact CG1-OD1 3.06Å
4E98.3Very high98.5Very high59 Ų5962.4 Ų62.428%0.27631%0.314SS..  trans-61.5167173.2-63.1-173.3-134.300112.1N8 L9 K12 Y55E4-N8 HydrophobicContact CB-CB 4.23Å; E4-L9 HydrophobicContact CB-CD2 4.02Å; E4-L9 HydrophobicContact CB-CG 4.12Å; E4-K12 WeakPolarHBondContact OE1-CE 3.36Å; E4-K12 IonicContact OE1-NZ 3.13Å; E4-K12 PolarHBondContact OE1-NZ 2.88Å; E4-K12 IonicContact OE2-NZ 3.34Å; E4-Y55 PolarHBondContact OE1-OH 3.43Å
5S98.5Very high98.4Very high61 Ų6167.1 Ų67.143%0.42734%0.341SS..  trans-60.9150.6173.773.90000111Q7 N8 L9S5-Q7 PolarHBondContact O-N 2.82Å; S5-N8 PolarHBondContact O-N 2.99Å; S5-N8 VanDerWaalsContact O-N 3.12Å; S5-N8 WeakPolarHBondContact OG-CB 3.13Å; S5-N8 PolarHBondContact OG-N 2.68Å; S5-N8 PolarHBondContact OG-OD1 3.46Å; S5-L9 WeakPolarHBondContact O-CG 3.25Å; S5-L9 PolarHBondContact O-N 3.4Å; S5-L9 VanDerWaalsContact O-N 3.07Å
6L98.7Very high98.3Very high8 Ų864.7 Ų64.74%0.04233%0.329CS..Hα-helixtrans-56.3-36.8178.3-177.861.4000112.1L9 Q10 L27 V32 Q36 L46 A47 V50L6-L9 PolarHBondContact O-N 2.63Å; L6-Q10 WeakPolarHBondContact O-CB 3.48Å; L6-Q10 PolarHBondContact O-N 3.4Å; L6-L27 HydrophobicContact CD1-CD1 4.19Å; L6-V32 HydrophobicContact CD2-CB 4.3Å; L6-V32 HydrophobicContact CD2-CG1 4.17Å; L6-V32 HydrophobicContact CD2-CG2 4.25Å; L6-V32 HydrophobicContact CG-CB 4.48Å; L6-V32 HydrophobicContact CG-CG1 4.14Å; L6-V32 HydrophobicContact CG-CG2 4.08Å; L6-Q36 HydrophobicContact CD2-CB 4.38Å; L6-L46 HydrophobicContact CD1-CB 4.31Å; L6-L46 HydrophobicContact CD1-CD2 4.36Å; L6-L46 HydrophobicContact CD1-CG 4.01Å; L6-L46 HydrophobicContact CD2-CB 4.2Å; L6-L46 HydrophobicContact CD2-CD2 3.93Å; L6-L46 HydrophobicContact CD2-CG 4.25Å; L6-A47 HydrophobicContact CB-CB 4.17Å; L6-A47 HydrophobicContact CD1-CB 4.41Å; L6-V50 HydrophobicContact CD1-CG2 3.87Å
7Q98.5Very high98.2Very high115 Ų11571 Ų7154%0.53736%0.357SS..Hα-helixtrans-67.9-40.1179-168.8165.56.200112.5S5 Q10 A11 V32S5-Q7 PolarHBondContact O-N 2.82Å; Q7-Q10 PolarHBondContact O-N 3.13Å; Q7-A11 PolarHBondContact O-N 3.11Å; Q7-V32 HydrophobicContact CB-CG1 4.14Å
8N98.6Very high98Very high83 Ų8376.7 Ų76.744%0.44437%0.373SS..Hα-helixtrans-65.8-42.9175.4-71.96.3000111.4E4 S5 Q10 A11 K12E4-N8 HydrophobicContact CB-CB 4.23Å; S5-N8 PolarHBondContact O-N 2.99Å; S5-N8 VanDerWaalsContact O-N 3.12Å; S5-N8 WeakPolarHBondContact OG-CB 3.13Å; S5-N8 PolarHBondContact OG-N 2.68Å; S5-N8 PolarHBondContact OG-OD1 3.46Å; N8-Q10 VanDerWaalsContact C-N 3.34Å; N8-Q10 PolarHBondContact O-N 3.14Å; N8-A11 PolarHBondContact O-N 3.28Å; N8-K12 WeakPolarHBondContact O-CG 3.49Å; N8-K12 PolarHBondContact O-N 3.15Å
9L98.7Very high97.9Very high0 Ų072.7 Ų72.70%035%0.354CS..Hα-helixtrans-62.1-42.4177-65.1175.6000111.3E4 S5 L6 A11 K12 I13 A47 V50 N51 A54 Y55E4-L9 HydrophobicContact CB-CD2 4.02Å; E4-L9 HydrophobicContact CB-CG 4.12Å; S5-L9 WeakPolarHBondContact O-CG 3.25Å; S5-L9 PolarHBondContact O-N 3.4Å; S5-L9 VanDerWaalsContact O-N 3.07Å; L6-L9 PolarHBondContact O-N 2.63Å; L9-A11 PolarHBondContact O-N 2.88Å; L9-K12 PolarHBondContact O-N 3.36Å; L9-I13 WeakPolarHBondContact O-CB 3.24Å; L9-I13 WeakPolarHBondContact O-CD1 3.23Å; L9-I13 WeakPolarHBondContact O-CG1 3.28Å; L9-I13 PolarHBondContact O-N 3.4Å; L9-A47 HydrophobicContact CD1-CB 3.9Å; L9-A47 VanDerWaalsContact CD1-O 3.3Å; L9-A47 WeakPolarHBondContact CD1-O 3.48Å; L9-V50 HydrophobicContact CB-CG2 4.25Å; L9-V50 HydrophobicContact CD1-CG2 4.04Å; L9-N51 HydrophobicContact CD1-CB 4.43Å; L9-A54 HydrophobicContact CD2-CB 3.72Å; L9-Y55 HydrophobicContact CD2-CE2 4.42Å
10Q98.7Very high97.8Very high14 Ų1476.5 Ų76.57%0.06537%0.371CS..Hα-helixtrans-58.9-46.6174.6-172.9-157.533.300111.6L6 Q7 N8 K12 I13 R14 L27 T28 D29 V32L6-Q10 WeakPolarHBondContact O-CB 3.48Å; L6-Q10 PolarHBondContact O-N 3.4Å; Q7-Q10 PolarHBondContact O-N 3.13Å; N8-Q10 VanDerWaalsContact C-N 3.34Å; N8-Q10 PolarHBondContact O-N 3.14Å; Q10-K12 VanDerWaalsContact C-N 3.35Å; Q10-K12 PolarHBondContact O-N 3.04Å; Q10-I13 PolarHBondContact O-N 3.31Å; Q10-R14 WeakPolarHBondContact O-CB 3.29Å; Q10-R14 WeakPolarHBondContact O-CG 3.45Å; Q10-R14 PolarHBondContact O-N 3.36Å; Q10-L27 HydrophobicContact CB-CD2 3.92Å; Q10-L27 HydrophobicContact CB-CG 4.34Å; Q10-L27 HydrophobicContact CG-CD2 4.09Å; Q10-L27 HydrophobicContact CG-CG 4.09Å; Q10-L27 PolarHBondContact NE2-O 3.46Å; Q10-T28 VanDerWaalsContact NE2-C 3.32Å; Q10-T28 PolarHBondContact NE2-O 3.5Å; Q10-D29 PolarHBondContact NE2-OD1 2.98Å; Q10-V32 HydrophobicContact CB-CG2 4.04Å; Q10-V32 HydrophobicContact CG-CG2 4.04Å
11A98.5Very high97.9Very high42 Ų4273 Ų7335%0.34735%0.354SS..Hα-helixtrans-60.1-43.9178.400000111.7Q7 N8 L9 R14 N15Q7-A11 PolarHBondContact O-N 3.11Å; N8-A11 PolarHBondContact O-N 3.28Å; L9-A11 PolarHBondContact O-N 2.88Å; A11-R14 PolarHBondContact O-N 2.98Å; A11-N15 VanDerWaalsContact O-CB 3.27Å; A11-N15 WeakPolarHBondContact O-CB 3.24Å; A11-N15 PolarHBondContact O-N 2.97Å; A11-N15 PolarHBondContact O-ND2 2.84Å
12K98.6Very high97.9Very high85 Ų8570.5 Ų70.537%0.3734%0.342SS..Hα-helixtrans-60.7-47.5175.7-71.8-174.7175.7-162.50112.4E4 N8 L9 Q10 R14 D16 A54E4-K12 WeakPolarHBondContact OE1-CE 3.36Å; E4-K12 IonicContact OE1-NZ 3.13Å; E4-K12 PolarHBondContact OE1-NZ 2.88Å; E4-K12 IonicContact OE2-NZ 3.34Å; N8-K12 WeakPolarHBondContact O-CG 3.49Å; N8-K12 PolarHBondContact O-N 3.15Å; L9-K12 PolarHBondContact O-N 3.36Å; Q10-K12 VanDerWaalsContact C-N 3.35Å; Q10-K12 PolarHBondContact O-N 3.04Å; K12-R14 VanDerWaalsContact C-N 3.33Å; K12-R14 PolarHBondContact O-N 2.92Å; K12-D16 PolarHBondContact O-N 3.1Å; K12-A54 HydrophobicContact CB-CB 4.27Å
13I98.5Very high97.9Very high1 Ų161 Ų611%0.00530%0.298CS..Hα-helixtrans-62.2-41.5179.7-69.1165.9000111.1L9 Q10 T23 K24 L27 V50 N53 A54L9-I13 WeakPolarHBondContact O-CB 3.24Å; L9-I13 WeakPolarHBondContact O-CD1 3.23Å; L9-I13 WeakPolarHBondContact O-CG1 3.28Å; L9-I13 PolarHBondContact O-N 3.4Å; Q10-I13 PolarHBondContact O-N 3.31Å; I13-T23 HydrophobicContact CD1-CG2 3.93Å; I13-K24 HydrophobicContact CG2-CB 3.5Å; I13-K24 HydrophobicContact CG2-CD 4.49Å; I13-K24 HydrophobicContact CG2-CG 3.92Å; I13-K24 WeakPolarHBondContact O-CD 3.47Å; I13-L27 HydrophobicContact CD1-CD2 4.19Å; I13-V50 HydrophobicContact CD1-CB 4.39Å; I13-N53 HydrophobicContact CD1-CB 4.08Å; I13-N53 HydrophobicContact CG1-CB 4.4Å; I13-A54 HydrophobicContact CD1-CB 4.26Å; I13-A54 HydrophobicContact CG1-CB 3.9Å
14R98.2Very high97.9Very high95 Ų9561.6 Ų61.636%0.35830%0.297SS..Hα-helixtrans-71.6-43.1-179.1-77.7-175171.2177.81.6113Q10 A11 K12 D16 K24 L27 D29Q10-R14 WeakPolarHBondContact O-CB 3.29Å; Q10-R14 WeakPolarHBondContact O-CG 3.45Å; Q10-R14 PolarHBondContact O-N 3.36Å; A11-R14 PolarHBondContact O-N 2.98Å; K12-R14 VanDerWaalsContact C-N 3.33Å; K12-R14 PolarHBondContact O-N 2.92Å; R14-D16 VanDerWaalsContact C-N 3.29Å; R14-D16 PolarHBondContact O-N 2.88Å; R14-K24 WeakPolarHBondContact O-CE 3.31Å; R14-K24 PolarHBondContact O-NZ 2.65Å; R14-L27 PolarHBondContact NH2-O 3.24Å; R14-D29 IonicContact CZ-OD1 2.83Å; R14-D29 VanDerWaalsContact CZ-OD1 3.28Å; R14-D29 IonicContact NH1-OD1 3.99Å; R14-D29 PolarHBondContact NH1-OD1 2.95Å; R14-D29 IonicContact NH1-OD2 2.8Å; R14-D29 IonicContact NH2-OD1 3.63Å; R14-D29 PolarHBondContact NH2-OD1 2.84Å
15N98Very high98Very high134 Ų13464.7 Ų64.772%0.71731%0.309SS*.Hα-helixtrans-76.6-13.7-176.2-65.5-12000113.2A11 E17A11-N15 VanDerWaalsContact O-CB 3.27Å; A11-N15 WeakPolarHBondContact O-CB 3.24Å; A11-N15 PolarHBondContact O-N 2.97Å; A11-N15 PolarHBondContact O-ND2 2.84Å; N15-E17 PolarHBondContact O-N 2.82Å
16D96.9Very high98Very high28 Ų2864.5 Ų64.515%0.1530%0.3CS..  trans-81.6106.3172.2-166.4-22.3000110.6K12 R14 R18 N19 K24K12-D16 PolarHBondContact O-N 3.1Å; R14-D16 VanDerWaalsContact C-N 3.29Å; R14-D16 PolarHBondContact O-N 2.88Å; D16-R18 PolarHBondContact O-N 2.96Å; D16-R18 VanDerWaalsContact OD1-CB 3.22Å; D16-R18 WeakPolarHBondContact OD1-CB 3.23Å; D16-R18 WeakPolarHBondContact OD1-CG 3.31Å; D16-R18 IonicContact OD1-CZ 3.36Å; D16-R18 PolarHBondContact OD1-N 3.24Å; D16-R18 IonicContact OD1-NE 2.78Å; D16-R18 PolarHBondContact OD1-NE 2.79Å; D16-R18 IonicContact OD1-NH2 3.64Å; D16-R18 IonicContact OD2-CZ 2.69Å; D16-R18 IonicContact OD2-NE 2.65Å; D16-R18 PolarHBondContact OD2-NE 3.41Å; D16-R18 IonicContact OD2-NH2 2.67Å; D16-R18 PolarHBondContact OD2-NH2 2.96Å; D16-N19 HydrophobicContact CB-CB 4.05Å; D16-N19 WeakPolarHBondContact O-CB 3.41Å; D16-N19 PolarHBondContact O-N 2.68Å; D16-N19 VanDerWaalsContact O-N 3.08Å; D16-K24 PolarHBondContact O-NZ 3.26Å
17E95.9Very high98Very high172 Ų17264.2 Ų64.280%0.80430%0.298SS*.THydrogen-bonded Turntrans-61.6-23.5177.3-64.9-17716900113.1N15 N19 H20N15-E17 PolarHBondContact O-N 2.82Å; E17-N19 VanDerWaalsContact C-N 3.28Å; E17-H20 PolarHBondContact O-CE1 3.45Å
18R95.5Very high98Very high173 Ų17361.2 Ų61.265%0.65329%0.288SS*.THydrogen-bonded Turntrans-77.3-20.5178-52.1167.2-62.2170.84.4111.5D16 H20 P57D16-R18 PolarHBondContact O-N 2.96Å; D16-R18 VanDerWaalsContact OD1-CB 3.22Å; D16-R18 WeakPolarHBondContact OD1-CB 3.23Å; D16-R18 WeakPolarHBondContact OD1-CG 3.31Å; D16-R18 IonicContact OD1-CZ 3.36Å; D16-R18 PolarHBondContact OD1-N 3.24Å; D16-R18 IonicContact OD1-NE 2.78Å; D16-R18 PolarHBondContact OD1-NE 2.79Å; D16-R18 IonicContact OD1-NH2 3.64Å; D16-R18 IonicContact OD2-CZ 2.69Å; D16-R18 IonicContact OD2-NE 2.65Å; D16-R18 PolarHBondContact OD2-NE 3.41Å; D16-R18 IonicContact OD2-NH2 2.67Å; D16-R18 PolarHBondContact OD2-NH2 2.96Å; R18-H20 PolarHBondContact O-N 3.13Å; R18-H20 PolarHBondContact O-ND1 3.28Å; R18-P57 HydrophobicContact CB-CB 4.06Å; R18-P57 HydrophobicContact CB-CG 4.33Å
19N95.4Very high98Very high1 Ų161.6 Ų61.61%0.00529%0.29CS..  trans-80.3118.9-175.8-164.1-42000110.8D16 E17 S21 K24 N53 P57D16-N19 HydrophobicContact CB-CB 4.05Å; D16-N19 WeakPolarHBondContact O-CB 3.41Å; D16-N19 PolarHBondContact O-N 2.68Å; D16-N19 VanDerWaalsContact O-N 3.08Å; E17-N19 VanDerWaalsContact C-N 3.28Å; N19-S21 VanDerWaalsContact OD1-CB 3.23Å; N19-S21 WeakPolarHBondContact OD1-CB 3.3Å; N19-S21 PolarHBondContact OD1-N 2.78Å; N19-S21 PolarHBondContact OD1-OG 3.23Å; N19-K24 HydrophobicContact CB-CD 4.17Å; N19-K24 WeakPolarHBondContact O-CD 3.32Å; N19-K24 WeakPolarHBondContact O-CE 3.41Å; N19-K24 PolarHBondContact O-NZ 3.14Å; N19-N53 PolarHBondContact ND2-O 3.03Å; N19-P57 HydrophobicContact CB-CB 3.91Å
20H96.8Very high98Very high148 Ų14867.4 Ų67.469%0.68532%0.321SS*.  trans-124.326.2177.4-60.984.2000111.4E17 R18E17-H20 PolarHBondContact O-CE1 3.45Å; R18-H20 PolarHBondContact O-N 3.13Å; R18-H20 PolarHBondContact O-ND1 3.28Å
21S98.4Very high98Very high3 Ų367.5 Ų67.52%0.02132%0.321CS..  trans-68.6155.1-17664.40000112.9N19 T23 K24 K25 A59 L60N19-S21 VanDerWaalsContact OD1-CB 3.23Å; N19-S21 WeakPolarHBondContact OD1-CB 3.3Å; N19-S21 PolarHBondContact OD1-N 2.78Å; N19-S21 PolarHBondContact OD1-OG 3.23Å; S21-T23 PolarHBondContact O-N 3.44Å; S21-K24 WeakPolarHBondContact O-CB 3.41Å; S21-K24 PolarHBondContact O-N 3.41Å; S21-K24 VanDerWaalsContact O-N 3.13Å; S21-K24 PolarHBondContact OG-N 3.19Å; S21-K25 PolarHBondContact O-N 3.08Å; S21-K25 VanDerWaalsContact O-N 3.15Å; S21-A59 WeakPolarHBondContact CB-O 3.37Å; S21-L60 WeakPolarHBondContact CB-O 3.46Å
22L98.6Very high98Very high15 Ų1565.8 Ų65.88%0.07931%0.307CS..Hα-helixtrans-64.6-26167.1-64.4-173.5000111.2K25 Y26 L60 L61 V80 D83 Y84L22-K25 HydrophobicContact CD2-CD 4.15Å; L22-K25 PolarHBondContact O-N 3.16Å; L22-Y26 HydrophobicContact CB-CD2 4.26Å; L22-Y26 HydrophobicContact CB-CE2 4.49Å; L22-Y26 HydrophobicContact CD2-CE2 4.24Å; L22-Y26 VanDerWaalsContact O-CD2 3.29Å; L22-Y26 WeakPolarHBondContact O-CD2 3.36Å; L22-Y26 PolarHBondContact O-N 3.11Å; L22-L60 HydrophobicContact CG-CD1 4.09Å; L22-L60 HydrophobicContact CG-CG 4.38Å; L22-L60 PolarHBondContact N-O 2.79Å; L22-L61 HydrophobicContact CB-CD2 4.44Å; L22-L61 HydrophobicContact CD1-CD2 3.87Å; L22-L61 HydrophobicContact CG-CD2 4.47Å; L22-V80 HydrophobicContact CB-CG1 4.27Å; L22-V80 HydrophobicContact CB-CG2 4.43Å; L22-V80 HydrophobicContact CD1-CG1 4.45Å; L22-D83 HydrophobicContact CD1-CB 4.1Å; L22-D83 HydrophobicContact CD2-CB 4.42Å; L22-D83 WeakPolarHBondContact CD2-OD2 3.27Å; L22-Y84 HydrophobicContact CD1-CD2 4.49Å
23T98.8Very high98Very high0 Ų069.4 Ų69.40%032%0.323CS..Hα-helixtrans-58.3-49.3169-56.20000111I13 S21 K25 Y26 L27 V50 N53 P62 F76I13-T23 HydrophobicContact CD1-CG2 3.93Å; S21-T23 PolarHBondContact O-N 3.44Å; T23-K25 VanDerWaalsContact C-N 3.31Å; T23-K25 PolarHBondContact O-N 2.9Å; T23-Y26 PolarHBondContact O-N 3.15Å; T23-L27 HydrophobicContact CG2-CD2 4.4Å; T23-L27 WeakPolarHBondContact O-CB 3.37Å; T23-L27 PolarHBondContact O-N 3.43Å; T23-V50 HydrophobicContact CG2-CB 3.81Å; T23-V50 HydrophobicContact CG2-CG1 3.69Å; T23-N53 HydrophobicContact CG2-CB 4.03Å; T23-N53 VanDerWaalsContact OG1-CG 3.22Å; T23-N53 PolarHBondContact OG1-OD1 2.87Å; T23-P62 WeakPolarHBondContact OG1-CD 3.3Å; T23-F76 HydrophobicContact CG2-CE2 4.44Å; T23-F76 HydrophobicContact CG2-CZ 4.08Å
24K98.6Very high98Very high57 Ų5774.6 Ų74.625%0.24835%0.345CS..Hα-helixtrans-59.8-41.4176.1-175175.1-179.6168.60112I13 R14 D16 N19 S21I13-K24 HydrophobicContact CG2-CB 3.5Å; I13-K24 HydrophobicContact CG2-CD 4.49Å; I13-K24 HydrophobicContact CG2-CG 3.92Å; I13-K24 WeakPolarHBondContact O-CD 3.47Å; R14-K24 WeakPolarHBondContact O-CE 3.31Å; R14-K24 PolarHBondContact O-NZ 2.65Å; D16-K24 PolarHBondContact O-NZ 3.26Å; N19-K24 HydrophobicContact CB-CD 4.17Å; N19-K24 WeakPolarHBondContact O-CD 3.32Å; N19-K24 WeakPolarHBondContact O-CE 3.41Å; N19-K24 PolarHBondContact O-NZ 3.14Å; S21-K24 WeakPolarHBondContact O-CB 3.41Å; S21-K24 PolarHBondContact O-N 3.41Å; S21-K24 VanDerWaalsContact O-N 3.13Å; S21-K24 PolarHBondContact OG-N 3.19Å
25K98.7Very high98Very high124 Ų12470.7 Ų70.754%0.53933%0.33SS..Hα-helixtrans-63.6-41.5-179.6-172.8177.8177.4-172.70112.9S21 L22 T23 D83S21-K25 PolarHBondContact O-N 3.08Å; S21-K25 VanDerWaalsContact O-N 3.15Å; L22-K25 HydrophobicContact CD2-CD 4.15Å; L22-K25 PolarHBondContact O-N 3.16Å; T23-K25 VanDerWaalsContact C-N 3.31Å; T23-K25 PolarHBondContact O-N 2.9Å; K25-D83 IonicContact NZ-OD2 2.78Å; K25-D83 PolarHBondContact NZ-OD2 3.47Å
26Y98.8Very high98Very high57 Ų5769.3 Ų69.322%0.22432%0.32CS..Hα-helixtrans-108.1-8.8-169.9-65.3-62.3000115.4L22 T23 T28 A79 V80 D83L22-Y26 HydrophobicContact CB-CD2 4.26Å; L22-Y26 HydrophobicContact CB-CE2 4.49Å; L22-Y26 HydrophobicContact CD2-CE2 4.24Å; L22-Y26 VanDerWaalsContact O-CD2 3.29Å; L22-Y26 WeakPolarHBondContact O-CD2 3.36Å; L22-Y26 PolarHBondContact O-N 3.11Å; T23-Y26 PolarHBondContact O-N 3.15Å; Y26-T28 VanDerWaalsContact C-N 3.25Å; Y26-T28 PolarHBondContact O-N 2.84Å; Y26-A79 HydrophobicContact CD1-CB 3.55Å; Y26-A79 HydrophobicContact CD2-CB 4.28Å; Y26-A79 HydrophobicContact CE1-CB 3.84Å; Y26-A79 HydrophobicContact CG-CB 3.79Å; Y26-V80 HydrophobicContact CD2-CG2 3.85Å; Y26-V80 HydrophobicContact CG-CG2 4.36Å; Y26-D83 HydrophobicContact CE2-CB 3.78Å; Y26-D83 WeakPolarHBondContact CE2-OD2 3.37Å; Y26-D83 PolarHBondContact OH-OD2 2.52Å
27L98.7Very high98.1Very high2 Ų271.9 Ų71.91%0.0135%0.345CS..  trans-80.871.4174.2-168.463.8000110.9L6 Q10 I13 R14 T23 I31 V32 L46 V50 F76L6-L27 HydrophobicContact CD1-CD1 4.19Å; Q10-L27 HydrophobicContact CB-CD2 3.92Å; Q10-L27 HydrophobicContact CB-CG 4.34Å; Q10-L27 HydrophobicContact CG-CD2 4.09Å; Q10-L27 HydrophobicContact CG-CG 4.09Å; Q10-L27 PolarHBondContact NE2-O 3.46Å; I13-L27 HydrophobicContact CD1-CD2 4.19Å; R14-L27 PolarHBondContact NH2-O 3.24Å; T23-L27 HydrophobicContact CG2-CD2 4.4Å; T23-L27 WeakPolarHBondContact O-CB 3.37Å; T23-L27 PolarHBondContact O-N 3.43Å; L27-I31 HydrophobicContact CD1-CG2 3.78Å; L27-V32 HydrophobicContact CD1-CG2 4.13Å; L27-V32 HydrophobicContact CG-CG2 4.17Å; L27-L46 HydrophobicContact CD1-CD2 4.22Å; L27-V50 HydrophobicContact CD2-CB 4.46Å; L27-V50 HydrophobicContact CD2-CG1 4.37Å; L27-V50 HydrophobicContact CD2-CG2 4.18Å; L27-F76 HydrophobicContact CB-CE2 4.14Å; L27-F76 HydrophobicContact CD1-CD2 4.43Å; L27-F76 HydrophobicContact CD1-CE2 4.38Å
28T98.6Very high98.2Very high52 Ų5266 Ų6632%0.31932%0.321SS..  trans-76.2167.1-179.772.10000112.7Q10 Y26 D30 I31 V32Q10-T28 VanDerWaalsContact NE2-C 3.32Å; Q10-T28 PolarHBondContact NE2-O 3.5Å; Y26-T28 VanDerWaalsContact C-N 3.25Å; Y26-T28 PolarHBondContact O-N 2.84Å; T28-D30 PolarHBondContact O-N 3.45Å; T28-I31 WeakPolarHBondContact O-CB 3.25Å; T28-I31 PolarHBondContact O-N 3.38Å; T28-I31 VanDerWaalsContact O-N 3.16Å; T28-I31 WeakPolarHBondContact OG1-CG1 3.48Å; T28-I31 PolarHBondContact OG1-N 3.45Å; T28-V32 WeakPolarHBondContact O-CG2 3.42Å; T28-V32 PolarHBondContact O-N 2.86Å
29D98.7Very high98.4Very high90 Ų9062.9 Ų62.948%0.48131%0.312SS..Hα-helixtrans-64.1-34.4177.8-60.2-11.3000110.9Q10 R14 V32 K33Q10-D29 PolarHBondContact NE2-OD1 2.98Å; R14-D29 IonicContact CZ-OD1 2.83Å; R14-D29 VanDerWaalsContact CZ-OD1 3.28Å; R14-D29 IonicContact NH1-OD1 3.99Å; R14-D29 PolarHBondContact NH1-OD1 2.95Å; R14-D29 IonicContact NH1-OD2 2.8Å; R14-D29 IonicContact NH2-OD1 3.63Å; R14-D29 PolarHBondContact NH2-OD1 2.84Å; D29-V32 PolarHBondContact O-N 3.36Å; D29-K33 VanDerWaalsContact O-CB 3.29Å; D29-K33 WeakPolarHBondContact O-CB 3.4Å; D29-K33 PolarHBondContact O-N 2.98Å
30D98.7Very high98.5Very high123 Ų12363.2 Ų63.266%0.65831%0.314SS*.Hα-helixtrans-64.1-41.8173.2-64.9-35.6000112T28 K33 K34T28-D30 PolarHBondContact O-N 3.45Å; D30-K33 PolarHBondContact O-N 3.16Å; D30-K34 VanDerWaalsContact O-CB 3.23Å; D30-K34 WeakPolarHBondContact O-CB 3.27Å; D30-K34 PolarHBondContact O-N 3.23Å
31I98.8Very high98.6Very high15 Ų1560.7 Ų60.78%0.07731%0.313CS..Hα-helixtrans-63.2-44.8175.2-67.8-65.9000110.5L27 T28 K34 Y35 L46 D75 F76L27-I31 HydrophobicContact CD1-CG2 3.78Å; T28-I31 WeakPolarHBondContact O-CB 3.25Å; T28-I31 PolarHBondContact O-N 3.38Å; T28-I31 VanDerWaalsContact O-N 3.16Å; T28-I31 WeakPolarHBondContact OG1-CG1 3.48Å; T28-I31 PolarHBondContact OG1-N 3.45Å; I31-K34 PolarHBondContact O-N 3.29Å; I31-Y35 HydrophobicContact CD1-CE2 4.06Å; I31-Y35 HydrophobicContact CG2-CD2 3.97Å; I31-Y35 HydrophobicContact CG2-CE2 4.45Å; I31-Y35 WeakPolarHBondContact O-CD2 3.49Å; I31-Y35 PolarHBondContact O-N 3.42Å; I31-L46 HydrophobicContact CG2-CD2 3.83Å; I31-D75 HydrophobicContact CD1-CB 3.58Å; I31-F76 HydrophobicContact CD1-CB 4.3Å; I31-F76 HydrophobicContact CG2-CB 3.96Å; I31-F76 HydrophobicContact CG2-CD2 4.26Å; I31-F76 HydrophobicContact CG2-CG 4.4Å
32V98.8Very high98.6Very high6 Ų663.8 Ų63.84%0.03633%0.329CS..Hα-helixtrans-62-49.3177.1174.60000110.7L6 Q7 Q10 L27 T28 D29 K34 Y35 Q36L6-V32 HydrophobicContact CD2-CB 4.3Å; L6-V32 HydrophobicContact CD2-CG1 4.17Å; L6-V32 HydrophobicContact CD2-CG2 4.25Å; L6-V32 HydrophobicContact CG-CB 4.48Å; L6-V32 HydrophobicContact CG-CG1 4.14Å; L6-V32 HydrophobicContact CG-CG2 4.08Å; Q7-V32 HydrophobicContact CB-CG1 4.14Å; Q10-V32 HydrophobicContact CB-CG2 4.04Å; Q10-V32 HydrophobicContact CG-CG2 4.04Å; L27-V32 HydrophobicContact CD1-CG2 4.13Å; L27-V32 HydrophobicContact CG-CG2 4.17Å; T28-V32 WeakPolarHBondContact O-CG2 3.42Å; T28-V32 PolarHBondContact O-N 2.86Å; D29-V32 PolarHBondContact O-N 3.36Å; V32-K34 VanDerWaalsContact C-N 3.3Å; V32-K34 PolarHBondContact O-N 3.43Å; V32-Y35 PolarHBondContact O-N 3.17Å; V32-Q36 VanDerWaalsContact O-CB 3.23Å; V32-Q36 WeakPolarHBondContact O-CB 3.49Å; V32-Q36 WeakPolarHBondContact O-CG 3.46Å; V32-Q36 PolarHBondContact O-N 3.29Å
33K98.6Very high98.6Very high162 Ų16265.1 Ų65.170%0.70435%0.346SS*.Hα-helixtrans-58.7-41.5178.7-177.9177.1173.8-179.90112D29 D30D29-K33 VanDerWaalsContact O-CB 3.29Å; D29-K33 WeakPolarHBondContact O-CB 3.4Å; D29-K33 PolarHBondContact O-N 2.98Å; D30-K33 PolarHBondContact O-N 3.16Å
34K98.7Very high98.6Very high109 Ų10965.1 Ų65.147%0.47435%0.346SS..Hα-helixtrans-68.3-39.2180-176173.2176.2176.40112.9D30 I31 V32 T38 D75D30-K34 VanDerWaalsContact O-CB 3.23Å; D30-K34 WeakPolarHBondContact O-CB 3.27Å; D30-K34 PolarHBondContact O-N 3.23Å; I31-K34 PolarHBondContact O-N 3.29Å; V32-K34 VanDerWaalsContact C-N 3.3Å; V32-K34 PolarHBondContact O-N 3.43Å; K34-T38 PolarHBondContact O-OG1 2.95Å; K34-D75 WeakPolarHBondContact CD-OD2 3.43Å; K34-D75 IonicContact NZ-OD1 3.38Å; K34-D75 PolarHBondContact NZ-OD1 3.21Å; K34-D75 VanDerWaalsContact NZ-OD1 3.13Å; K34-D75 IonicContact NZ-OD2 2.63Å; K34-D75 PolarHBondContact NZ-OD2 3.32Å
35Y98.8Very high98.6Very high13 Ų1363.5 Ų63.55%0.05134%0.341CS..Hα-helixtrans-114.3-4.2-166.9-62.9-58.5000116.5I31 V32 A37 T38 L46 T72 F73 D75I31-Y35 HydrophobicContact CD1-CE2 4.06Å; I31-Y35 HydrophobicContact CG2-CD2 3.97Å; I31-Y35 HydrophobicContact CG2-CE2 4.45Å; I31-Y35 WeakPolarHBondContact O-CD2 3.49Å; I31-Y35 PolarHBondContact O-N 3.42Å; V32-Y35 PolarHBondContact O-N 3.17Å; Y35-A37 PolarHBondContact O-N 2.73Å; Y35-A37 VanDerWaalsContact O-N 3.13Å; Y35-T38 HydrophobicContact CD1-CG2 4.38Å; Y35-T38 PolarHBondContact O-N 3.28Å; Y35-T38 VanDerWaalsContact O-N 3.14Å; Y35-L46 HydrophobicContact CD2-CD2 3.95Å; Y35-L46 HydrophobicContact CG-CD2 4.21Å; Y35-T72 VanDerWaalsContact CE1-O 3.24Å; Y35-T72 WeakPolarHBondContact CE1-O 3.39Å; Y35-F73 AromaticContact CD1-CD1 3.63Å; Y35-F73 HydrophobicContact CD1-CD1 3.63Å; Y35-F73 HydrophobicContact CD1-CE1 4.35Å; Y35-F73 HydrophobicContact CD2-CD1 4.48Å; Y35-F73 HydrophobicContact CE1-CD1 4.23Å; Y35-F73 AromaticContact CG-CD1 3.77Å; Y35-F73 HydrophobicContact CG-CD1 3.77Å; Y35-D75 HydrophobicContact CE2-CB 4.18Å; Y35-D75 VanDerWaalsContact OH-CG 3.26Å; Y35-D75 PolarHBondContact OH-N 3.24Å; Y35-D75 PolarHBondContact OH-OD1 3.2Å; Y35-D75 VanDerWaalsContact OH-OD1 3.14Å
36Q98.2Very high98.6Very high106 Ų10657.6 Ų57.650%0.49532%0.316SS..SBendtrans-55.7-33.2-177.158179.4-14.100114.7L6 V32L6-Q36 HydrophobicContact CD2-CB 4.38Å; V32-Q36 VanDerWaalsContact O-CB 3.23Å; V32-Q36 WeakPolarHBondContact O-CB 3.49Å; V32-Q36 WeakPolarHBondContact O-CG 3.46Å; V32-Q36 PolarHBondContact O-N 3.29Å
37A98.1Very high98.6Very high82 Ų8255.3 Ų55.368%0.67831%0.309SS*.SBendtrans-97.7-20179.300000113.2Y35 K39Y35-A37 PolarHBondContact O-N 2.73Å; Y35-A37 VanDerWaalsContact O-N 3.13Å; A37-K39 PolarHBondContact O-NZ 2.87Å
38T98.7Very high98.6Very high48 Ų4856 Ų5629%0.29431%0.312SS..  trans-63.7145.2-173.2-51.90000111.9K34 Y35 T72 F73K34-T38 PolarHBondContact O-OG1 2.95Å; Y35-T38 HydrophobicContact CD1-CG2 4.38Å; Y35-T38 PolarHBondContact O-N 3.28Å; Y35-T38 VanDerWaalsContact O-N 3.14Å; T38-T72 HydrophobicContact CG2-CG2 3.68Å; T38-F73 HydrophobicContact CG2-CE1 4.04Å
39K98.8Very high98.6Very high108 Ų10853.6 Ų53.647%0.4730%0.297SS..  trans-126.6142.7175.9-59.6-67167.4-71.30109.5A37 G44 T45A37-K39 PolarHBondContact O-NZ 2.87Å; K39-G44 VanDerWaalsContact CA-O 3.31Å; K39-G44 WeakPolarHBondContact CA-O 3.45Å; K39-T45 HydrophobicContact CD-CG2 3.66Å; K39-T45 VanDerWaalsContact CE-CG2 3.48Å
40T98.8Very high98.6Very high8 Ų849.3 Ų49.35%0.04927%0.274CS..  trans-68.6170.1166.168.50000109.9L42 G43 G44 D66 A69 T72 F73T40-L42 PolarHBondContact O-N 2.83Å; T40-L42 VanDerWaalsContact O-N 3.15Å; T40-L42 PolarHBondContact OG1-N 3.27Å; T40-G43 PolarHBondContact O-N 3.13Å; T40-G43 PolarHBondContact OG1-N 3.29Å; T40-G44 PolarHBondContact N-O 2.84Å; T40-G44 WeakPolarHBondContact OG1-CA 3.48Å; T40-G44 PolarHBondContact OG1-N 2.96Å; T40-D66 VanDerWaalsContact CB-OD2 3.28Å; T40-D66 WeakPolarHBondContact CB-OD2 3.43Å; T40-D66 WeakPolarHBondContact CG2-OD2 3.48Å; T40-D66 PolarHBondContact OG1-OD2 3.25Å; T40-A69 HydrophobicContact CG2-CB 4.46Å; T40-T72 HydrophobicContact CG2-CG2 4.1Å; T40-F73 HydrophobicContact CG2-CE2 3.64Å; T40-F73 HydrophobicContact CG2-CZ 3.94Å
41S98.3Very high98.6Very high95 Ų9544 Ų4466%0.66425%0.246SC*.THydrogen-bonded Turntrans-61.9-16.4172.849.50000114N68S41-N68 VanDerWaalsContact OG-CG 3.3Å; S41-N68 PolarHBondContact OG-ND2 2.72Å; S41-N68 VanDerWaalsContact OG-ND2 3.11Å
42L98.4Very high98.6Very high67 Ų6743.3 Ų43.335%0.35124%0.242SC..THydrogen-bonded Turntrans-104.315.3174.2-57.3-177.2000112.7T40 G44 D66T40-L42 PolarHBondContact O-N 2.83Å; T40-L42 VanDerWaalsContact O-N 3.15Å; T40-L42 PolarHBondContact OG1-N 3.27Å; L42-G44 VanDerWaalsContact C-N 3.3Å; L42-G44 PolarHBondContact O-N 3.11Å; L42-D66 HydrophobicContact CB-CB 4.28Å; L42-D66 HydrophobicContact CD1-CB 3.91Å
43G98.2Very high98.5Very high44 Ų4443 Ų4345%0.45424%0.24SC..SBendtrans797175.300000115.2T40T40-G43 PolarHBondContact O-N 3.13Å; T40-G43 PolarHBondContact OG1-N 3.29Å
44G98.6Very high98.5Very high0 Ų035.9 Ų35.90%021%0.211CC..  trans-71.3155178.600000113.4K39 T40 L42 Q48 C65 T136K39-G44 VanDerWaalsContact CA-O 3.31Å; K39-G44 WeakPolarHBondContact CA-O 3.45Å; T40-G44 PolarHBondContact N-O 2.84Å; T40-G44 WeakPolarHBondContact OG1-CA 3.48Å; T40-G44 PolarHBondContact OG1-N 2.96Å; L42-G44 VanDerWaalsContact C-N 3.3Å; L42-G44 PolarHBondContact O-N 3.11Å; G44-Q48 VanDerWaalsContact CA-OE1 3.3Å; G44-C65 VanDerWaalsContact CA-SG 3.6Å; G44-T136 VanDerWaalsContact CA-CG2 3.48Å
45T98.9Very high98.4Very high22 Ų2235.3 Ų35.314%0.13521%0.207CC..  trans-122.1159.1179.7750000112.4K39 A47 Q48 C49K39-T45 HydrophobicContact CD-CG2 3.66Å; K39-T45 VanDerWaalsContact CE-CG2 3.48Å; T45-A47 PolarHBondContact O-N 3.02Å; T45-A47 PolarHBondContact OG1-N 3.19Å; T45-Q48 PolarHBondContact O-N 3.35Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.33Å; T45-Q48 PolarHBondContact OG1-N 2.89Å; T45-Q48 VanDerWaalsContact OG1-N 3.14Å; T45-C49 PolarHBondContact O-N 3.14Å; T45-C49 PolarHBondContact O-SG 2.97Å
46L98.9Very high98.4Very high1 Ų135.8 Ų35.81%0.00521%0.211CC..Hα-helixtrans-65.9-28.7170.7-174.758.9000111.7L6 L27 I31 Y35 Q48 C49 V50 F73 F76 F77L6-L46 HydrophobicContact CD1-CB 4.31Å; L6-L46 HydrophobicContact CD1-CD2 4.36Å; L6-L46 HydrophobicContact CD1-CG 4.01Å; L6-L46 HydrophobicContact CD2-CB 4.2Å; L6-L46 HydrophobicContact CD2-CD2 3.93Å; L6-L46 HydrophobicContact CD2-CG 4.25Å; L27-L46 HydrophobicContact CD1-CD2 4.22Å; I31-L46 HydrophobicContact CG2-CD2 3.83Å; Y35-L46 HydrophobicContact CD2-CD2 3.95Å; Y35-L46 HydrophobicContact CG-CD2 4.21Å; L46-Q48 VanDerWaalsContact C-N 3.33Å; L46-Q48 PolarHBondContact O-N 3.42Å; L46-C49 HydrophobicContact CD1-CB 4.04Å; L46-C49 VanDerWaalsContact O-CB 3.29Å; L46-C49 WeakPolarHBondContact O-CB 3.3Å; L46-C49 PolarHBondContact O-N 3.22Å; L46-C49 VanDerWaalsContact O-N 3.09Å; L46-V50 HydrophobicContact CD1-CG1 4.27Å; L46-V50 PolarHBondContact O-N 3.36Å; L46-F73 HydrophobicContact CB-CD1 3.87Å; L46-F73 HydrophobicContact CB-CD2 4.3Å; L46-F73 HydrophobicContact CB-CE1 3.92Å; L46-F73 HydrophobicContact CB-CE2 4.35Å; L46-F73 HydrophobicContact CB-CG 4.07Å; L46-F73 HydrophobicContact CB-CZ 4.19Å; L46-F73 HydrophobicContact CD1-CB 4.05Å; L46-F73 HydrophobicContact CD1-CD2 4.24Å; L46-F73 HydrophobicContact CD1-CG 4.06Å; L46-F73 HydrophobicContact CG-CG 4.49Å; L46-F73 VanDerWaalsContact N-CZ 3.28Å; L46-F76 HydrophobicContact CD1-CD1 3.66Å; L46-F76 HydrophobicContact CD1-CE1 4.01Å; L46-F76 HydrophobicContact CD1-CG 4.27Å; L46-F77 HydrophobicContact CD1-CE2 4.39Å
47A98.8Very high98.3Very high9 Ų932 Ų327%0.07420%0.195CC..Hα-helixtrans-60.1-43.3174.900000111.5V3 L6 L9 T45 C49 V50 N51V3-A47 HydrophobicContact CG2-CB 3.82Å; L6-A47 HydrophobicContact CB-CB 4.17Å; L6-A47 HydrophobicContact CD1-CB 4.41Å; L9-A47 HydrophobicContact CD1-CB 3.9Å; L9-A47 VanDerWaalsContact CD1-O 3.3Å; L9-A47 WeakPolarHBondContact CD1-O 3.48Å; T45-A47 PolarHBondContact O-N 3.02Å; T45-A47 PolarHBondContact OG1-N 3.19Å; A47-C49 VanDerWaalsContact C-N 3.26Å; A47-C49 PolarHBondContact O-N 3.04Å; A47-V50 PolarHBondContact O-N 2.75Å; A47-N51 PolarHBondContact O-N 3.19Å; A47-N51 VanDerWaalsContact O-N 3.08Å
48Q98.8Very high98.1Very high17 Ų1731.7 Ų31.78%0.07920%0.2CC..Hα-helixtrans-62.8-32.9175.1-71.2166.5-19.100112.4M1 V3 G44 T45 L46 C65 P135M1-Q48 PolarHBondContact O-NE2 3.27Å; V3-Q48 HydrophobicContact CG1-CG 4.41Å; V3-Q48 HydrophobicContact CG2-CG 3.88Å; G44-Q48 VanDerWaalsContact CA-OE1 3.3Å; T45-Q48 PolarHBondContact O-N 3.35Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.33Å; T45-Q48 PolarHBondContact OG1-N 2.89Å; T45-Q48 VanDerWaalsContact OG1-N 3.14Å; L46-Q48 VanDerWaalsContact C-N 3.33Å; L46-Q48 PolarHBondContact O-N 3.42Å; Q48-C65 HydrophobicContact CB-CB 3.88Å; Q48-P135 HydrophobicContact CB-CB 3.93Å; Q48-P135 HydrophobicContact CB-CG 4.36Å; Q48-P135 HydrophobicContact CG-CB 4.11Å
49C98.8Very high98Very high1 Ų129.8 Ų29.81%0.00719%0.189CC..Hα-helixtrans-68.5-36.3179.8-62.60000113.1T45 L46 A47 P62 R63 C65 F77T45-C49 PolarHBondContact O-N 3.14Å; T45-C49 PolarHBondContact O-SG 2.97Å; L46-C49 HydrophobicContact CD1-CB 4.04Å; L46-C49 VanDerWaalsContact O-CB 3.29Å; L46-C49 WeakPolarHBondContact O-CB 3.3Å; L46-C49 PolarHBondContact O-N 3.22Å; L46-C49 VanDerWaalsContact O-N 3.09Å; A47-C49 VanDerWaalsContact C-N 3.26Å; A47-C49 PolarHBondContact O-N 3.04Å; C49-P62 WeakPolarHBondContact O-CB 3.24Å; C49-R63 CarbonylContact C-O 3.44Å; C49-R63 WeakPolarHBondContact CA-O 3.39Å; C49-R63 WeakPolarHBondContact CB-O 3.19Å; C49-R63 PolarHBondContact O-N 2.93Å; C49-R63 VanDerWaalsContact O-O 3.1Å; C49-C65 PolarHBondContact SG-N 3.31Å; C49-F77 HydrophobicContact CB-CZ 4.07Å
50V98.6Very high97.9Very high0 Ų028.7 Ų28.70%019%0.188CC..Hα-helixtrans-100.8-6.9-173.6-55.70000113.8L6 L9 I13 T23 L27 L46 A47 T52 N53 P62 F76L6-V50 HydrophobicContact CD1-CG2 3.87Å; L9-V50 HydrophobicContact CB-CG2 4.25Å; L9-V50 HydrophobicContact CD1-CG2 4.04Å; I13-V50 HydrophobicContact CD1-CB 4.39Å; T23-V50 HydrophobicContact CG2-CB 3.81Å; T23-V50 HydrophobicContact CG2-CG1 3.69Å; L27-V50 HydrophobicContact CD2-CB 4.46Å; L27-V50 HydrophobicContact CD2-CG1 4.37Å; L27-V50 HydrophobicContact CD2-CG2 4.18Å; L46-V50 HydrophobicContact CD1-CG1 4.27Å; L46-V50 PolarHBondContact O-N 3.36Å; A47-V50 PolarHBondContact O-N 2.75Å; V50-T52 VanDerWaalsContact C-N 3.27Å; V50-T52 PolarHBondContact O-N 2.97Å; V50-N53 PolarHBondContact O-N 3.26Å; V50-P62 HydrophobicContact CG1-CB 4.5Å; V50-F76 HydrophobicContact CG1-CE1 4.11Å; V50-F76 HydrophobicContact CG1-CZ 3.88Å
51N98.3Very high97.9Very high11 Ų1128.9 Ų28.96%0.05919%0.188CC..Hα-helixtrans-50.7-45.4-175-169.674.7000112.5V3 L9 A47 N53 A54 Y55 D194V3-N51 HydrophobicContact CG1-CB 4.08Å; V3-N51 WeakPolarHBondContact CG1-OD1 3.06Å; L9-N51 HydrophobicContact CD1-CB 4.43Å; A47-N51 PolarHBondContact O-N 3.19Å; A47-N51 VanDerWaalsContact O-N 3.08Å; N51-N53 VanDerWaalsContact C-N 3.29Å; N51-N53 PolarHBondContact O-N 2.97Å; N51-A54 WeakPolarHBondContact O-CB 3.35Å; N51-A54 PolarHBondContact O-N 2.66Å; N51-A54 VanDerWaalsContact O-N 3.08Å; N51-Y55 VanDerWaalsContact O-CD2 3.25Å; N51-Y55 WeakPolarHBondContact O-CD2 3.48Å; N51-D194 PolarHBondContact ND2-O 2.93Å
52T97.8Very high97.9Very high0 Ų024.3 Ų24.30%016%0.157CC..Hα-helixtrans-58.8-36.9-179.9-169.70000113.3V50 A54 Y55 N56 R63 V191 A195V50-T52 VanDerWaalsContact C-N 3.27Å; V50-T52 PolarHBondContact O-N 2.97Å; T52-A54 VanDerWaalsContact C-N 3.26Å; T52-A54 PolarHBondContact O-N 3.16Å; T52-Y55 PolarHBondContact O-N 2.78Å; T52-N56 VanDerWaalsContact O-CB 3.32Å; T52-N56 WeakPolarHBondContact O-CB 3.36Å; T52-N56 PolarHBondContact O-N 3.07Å; T52-N56 PolarHBondContact O-ND2 3.25Å; T52-N56 PolarHBondContact OG1-ND2 2.86Å; T52-R63 HydrophobicContact CG2-CG 4.41Å; T52-V191 WeakPolarHBondContact CB-O 3.24Å; T52-V191 HydrophobicContact CG2-CG1 4.37Å; T52-V191 WeakPolarHBondContact OG1-CA 3.43Å; T52-V191 WeakPolarHBondContact OG1-CG1 3.16Å; T52-V191 PolarHBondContact OG1-O 2.69Å; T52-A195 HydrophobicContact CG2-CB 4.25Å
53N98.2Very high98Very high0 Ų022.3 Ų22.30%014%0.144CC..Hα-helixtrans-72.5-19.8-179.4-57.3105.7000112.8I13 N19 T23 V50 N51 Y55 A59 L61 P62I13-N53 HydrophobicContact CD1-CB 4.08Å; I13-N53 HydrophobicContact CG1-CB 4.4Å; N19-N53 PolarHBondContact ND2-O 3.03Å; T23-N53 HydrophobicContact CG2-CB 4.03Å; T23-N53 VanDerWaalsContact OG1-CG 3.22Å; T23-N53 PolarHBondContact OG1-OD1 2.87Å; V50-N53 PolarHBondContact O-N 3.26Å; N51-N53 VanDerWaalsContact C-N 3.29Å; N51-N53 PolarHBondContact O-N 2.97Å; N53-Y55 VanDerWaalsContact C-N 3.34Å; N53-A59 PolarHBondContact ND2-O 3.44Å; N53-L61 PolarHBondContact ND2-O 3.16Å; N53-L61 PolarHBondContact OD1-O 3.06Å; N53-P62 VanDerWaalsContact OD1-CA 3.29Å; N53-P62 WeakPolarHBondContact OD1-CA 3.09Å
54A97.4Very high98Very high12 Ų1220.2 Ų20.210%0.09912%0.123CC..Hα-helixtrans-75-24.717600000112.8L9 K12 I13 N51 T52L9-A54 HydrophobicContact CD2-CB 3.72Å; K12-A54 HydrophobicContact CB-CB 4.27Å; I13-A54 HydrophobicContact CD1-CB 4.26Å; I13-A54 HydrophobicContact CG1-CB 3.9Å; N51-A54 WeakPolarHBondContact O-CB 3.35Å; N51-A54 PolarHBondContact O-N 2.66Å; N51-A54 VanDerWaalsContact O-N 3.08Å; T52-A54 VanDerWaalsContact C-N 3.26Å; T52-A54 PolarHBondContact O-N 3.16Å
55Y97.7Very high98Very high98 Ų9820.2 Ų20.238%0.38412%0.123SC..Hα-helixtrans-111.4-18.5-178.6-55.6-75.5000113.2E4 L9 N51 T52 N53 P57E4-Y55 PolarHBondContact OE1-OH 3.43Å; L9-Y55 HydrophobicContact CD2-CE2 4.42Å; N51-Y55 VanDerWaalsContact O-CD2 3.25Å; N51-Y55 WeakPolarHBondContact O-CD2 3.48Å; T52-Y55 PolarHBondContact O-N 2.78Å; N53-Y55 VanDerWaalsContact C-N 3.34Å; Y55-P57 WeakPolarHBondContact O-CD 3.47Å
56N97.8Very high98Very high23 Ų2319.2 Ų19.212%0.12312%0.117CC..  trans-120.484.6179.4-57.7-82.9000110.2T52 G58 A59 N190 V191 D194T52-N56 VanDerWaalsContact O-CB 3.32Å; T52-N56 WeakPolarHBondContact O-CB 3.36Å; T52-N56 PolarHBondContact O-N 3.07Å; T52-N56 PolarHBondContact O-ND2 3.25Å; T52-N56 PolarHBondContact OG1-ND2 2.86Å; N56-G58 PolarHBondContact O-N 2.81Å; N56-G58 VanDerWaalsContact O-N 3.13Å; N56-A59 HydrophobicContact CB-CB 4.08Å; N56-A59 VanDerWaalsContact O-CB 3.32Å; N56-A59 WeakPolarHBondContact O-CB 3.29Å; N56-A59 PolarHBondContact O-N 3.38Å; N56-N190 WeakPolarHBondContact OD1-CB 3.34Å; N56-V191 HydrophobicContact CB-CG2 4.02Å; N56-D194 PolarHBondContact ND2-OD2 3.28Å
57P95.9Very high98Very high26 Ų2620.5 Ų20.517%0.16912%0.123CC..THydrogen-bonded Turntrans-64.2-19.4-175.925.1-34.8000114R18 N19 Y55 A59R18-P57 HydrophobicContact CB-CB 4.06Å; R18-P57 HydrophobicContact CB-CG 4.33Å; N19-P57 HydrophobicContact CB-CB 3.91Å; Y55-P57 WeakPolarHBondContact O-CD 3.47Å; P57-A59 VanDerWaalsContact C-N 3.35Å
58G94.6Very high97.9Very high75 Ų7522.2 Ų22.277%0.77313%0.131SC*.THydrogen-bonded Turntrans-78.4-13.1172.700000114.5N56 L60N56-G58 PolarHBondContact O-N 2.81Å; N56-G58 VanDerWaalsContact O-N 3.13Å; G58-L60 PolarHBondContact O-N 3.47Å
59A96.1Very high97.9Very high9 Ų921.4 Ų21.47%0.07413%0.128CC..  trans-75114.117800000110.4S21 N53 N56 P57 L61 V191S21-A59 WeakPolarHBondContact CB-O 3.37Å; N53-A59 PolarHBondContact ND2-O 3.44Å; N56-A59 HydrophobicContact CB-CB 4.08Å; N56-A59 VanDerWaalsContact O-CB 3.32Å; N56-A59 WeakPolarHBondContact O-CB 3.29Å; N56-A59 PolarHBondContact O-N 3.38Å; P57-A59 VanDerWaalsContact C-N 3.35Å; A59-L61 PolarHBondContact O-N 3.26Å; A59-V191 HydrophobicContact CB-CG1 3.92Å; A59-V191 HydrophobicContact CB-CG2 4.06Å
60L97.8Very high97.9Very high85 Ų8521.4 Ų21.445%0.44513%0.128SC..  trans-69.2-30.8-176.8-177.262.2000113.7S21 L22 G58 Y84S21-L60 WeakPolarHBondContact CB-O 3.46Å; L22-L60 HydrophobicContact CG-CD1 4.09Å; L22-L60 HydrophobicContact CG-CG 4.38Å; L22-L60 PolarHBondContact N-O 2.79Å; G58-L60 PolarHBondContact O-N 3.47Å; L60-Y84 HydrophobicContact CD2-CD2 4Å; L60-Y84 HydrophobicContact CD2-CE2 3.93Å
61L98.6Very high97.9Very high11 Ų1125 Ų256%0.05814%0.144CC..SBendtrans-124.9153.6-166.7-64.8177000112.5L22 N53 A59 R63 V80 Y84L22-L61 HydrophobicContact CB-CD2 4.44Å; L22-L61 HydrophobicContact CD1-CD2 3.87Å; L22-L61 HydrophobicContact CG-CD2 4.47Å; N53-L61 PolarHBondContact ND2-O 3.16Å; N53-L61 PolarHBondContact OD1-O 3.06Å; A59-L61 PolarHBondContact O-N 3.26Å; L61-R63 PolarHBondContact O-NH1 2.97Å; L61-V80 HydrophobicContact CD2-CG1 3.82Å; L61-Y84 HydrophobicContact CD1-CD1 4.38Å; L61-Y84 HydrophobicContact CD1-CD2 3.82Å; L61-Y84 HydrophobicContact CD1-CE1 4.34Å; L61-Y84 HydrophobicContact CD1-CE2 3.76Å; L61-Y84 HydrophobicContact CD1-CG 4.13Å; L61-Y84 HydrophobicContact CD2-CD2 3.76Å; L61-Y84 HydrophobicContact CD2-CE2 4.46Å; L61-Y84 HydrophobicContact CD2-CG 4.02Å; L61-Y84 HydrophobicContact CG-CD2 4.11Å; L61-Y84 HydrophobicContact CG-CE2 4.31Å
62P98.7Very high98Very high0 Ų026.2 Ų26.20%015%0.152CC..  trans-71.518016734-35.5000111.3T23 C49 V50 N53 F76 F77 V80 P269T23-P62 WeakPolarHBondContact OG1-CD 3.3Å; C49-P62 WeakPolarHBondContact O-CB 3.24Å; V50-P62 HydrophobicContact CG1-CB 4.5Å; N53-P62 VanDerWaalsContact OD1-CA 3.29Å; N53-P62 WeakPolarHBondContact OD1-CA 3.09Å; P62-F76 HydrophobicContact CB-CE1 4.02Å; P62-F76 HydrophobicContact CB-CZ 4.15Å; P62-F76 HydrophobicContact CG-CE1 3.76Å; P62-F76 HydrophobicContact CG-CZ 3.93Å; P62-F77 HydrophobicContact CG-CE1 3.96Å; P62-V80 HydrophobicContact CG-CG1 4.17Å; P62-P269 HydrophobicContact CG-CG 4.2Å; P62-P269 WeakPolarHBondContact O-CD 3.33Å
63R98.7Very high98Very high24 Ų2426.2 Ų26.29%0.09115%0.152CC..  trans-119.9169.1162.9-64.2-60.9-173.9-76.4-3109.7C49 T52 L61 A195 E222 F267 C268C49-R63 CarbonylContact C-O 3.44Å; C49-R63 WeakPolarHBondContact CA-O 3.39Å; C49-R63 WeakPolarHBondContact CB-O 3.19Å; C49-R63 PolarHBondContact O-N 2.93Å; C49-R63 VanDerWaalsContact O-O 3.1Å; T52-R63 HydrophobicContact CG2-CG 4.41Å; L61-R63 PolarHBondContact O-NH1 2.97Å; R63-A195 HydrophobicContact CB-CB 3.97Å; R63-A195 HydrophobicContact CG-CB 3.58Å; R63-E222 IonicContact NE-OE1 3.6Å; R63-F267 WeakPolarHBondContact CA-O 3.27Å; R63-F267 HydrophobicContact CB-CD1 4.32Å; R63-F267 HydrophobicContact CB-CD2 4.25Å; R63-F267 HydrophobicContact CB-CE1 3.8Å; R63-F267 HydrophobicContact CB-CE2 3.72Å; R63-F267 HydrophobicContact CB-CZ 3.49Å; R63-F267 VanDerWaalsContact CB-CZ 3.49Å; R63-F267 VanDerWaalsContact CD-CE1 3.42Å; R63-F267 HydrophobicContact CG-CD1 4.05Å; R63-F267 HydrophobicContact CG-CE1 3.44Å; R63-F267 VanDerWaalsContact CG-CE1 3.44Å; R63-F267 HydrophobicContact CG-CE2 4.32Å; R63-F267 HydrophobicContact CG-CZ 3.62Å; R63-C268 VanDerWaalsContact CZ-SG 3.56Å
64S98.7Very high98Very high1 Ų130.9 Ų30.91%0.00717%0.17CC..  trans-100.6134.5174.653.30000111.3D66 F133 F267S64-D66 VanDerWaalsContact C-N 3.27Å; S64-D66 WeakPolarHBondContact CB-O 3.37Å; S64-D66 PolarHBondContact O-N 2.99Å; S64-F133 WeakPolarHBondContact O-CD2 3.45Å; S64-F133 VanDerWaalsContact OG-CD2 3.28Å; S64-F133 WeakPolarHBondContact OG-CD2 3.46Å; S64-F133 WeakPolarHBondContact OG-CE2 3.3Å; S64-F267 PolarHBondContact N-O 3.09Å; S64-F267 VanDerWaalsContact O-CD2 3.28Å; S64-F267 WeakPolarHBondContact O-CD2 3.28Å; S64-F267 VanDerWaalsContact O-CE2 3.26Å; S64-F267 WeakPolarHBondContact O-CE2 3.35Å; S64-F267 WeakPolarHBondContact OG-CA 3.26Å; S64-F267 PolarHBondContact OG-O 3.22Å; S64-F267 VanDerWaalsContact OG-O 3.08Å
65C98.6Very high98.1Very high0 Ų034.1 Ų34.10%019%0.185CC..SBendtrans-66.7-29.3175.954.60000113.2G44 Q48 C49 F133 P135 T136G44-C65 VanDerWaalsContact CA-SG 3.6Å; Q48-C65 HydrophobicContact CB-CB 3.88Å; C49-C65 PolarHBondContact SG-N 3.31Å; C65-F133 PolarHBondContact O-N 3.06Å; C65-P135 HydrophobicContact CB-CB 4.11Å; C65-P135 HydrophobicContact CB-CG 4.44Å; C65-T136 HydrophobicContact CB-CG2 4.31Å; C65-T136 WeakPolarHBondContact O-CG2 3.23Å; C65-T136 PolarHBondContact O-OG1 2.95Å
66D98.8Very high98.2Very high0 Ų029.4 Ų29.40%017%0.167CC..SBendtrans-161.1177.5168.259.881.5000110T40 L42 S64 N68 A69 F133 T136T40-D66 VanDerWaalsContact CB-OD2 3.28Å; T40-D66 WeakPolarHBondContact CB-OD2 3.43Å; T40-D66 WeakPolarHBondContact CG2-OD2 3.48Å; T40-D66 PolarHBondContact OG1-OD2 3.25Å; L42-D66 HydrophobicContact CB-CB 4.28Å; L42-D66 HydrophobicContact CD1-CB 3.91Å; S64-D66 VanDerWaalsContact C-N 3.27Å; S64-D66 WeakPolarHBondContact CB-O 3.37Å; S64-D66 PolarHBondContact O-N 2.99Å; D66-N68 PolarHBondContact O-N 3.48Å; D66-N68 VanDerWaalsContact O-N 3.15Å; D66-N68 WeakPolarHBondContact OD1-CA 3.46Å; D66-N68 VanDerWaalsContact OD1-CB 3.24Å; D66-N68 WeakPolarHBondContact OD1-CB 3.09Å; D66-N68 PolarHBondContact OD1-N 3.09Å; D66-N68 PolarHBondContact OD1-ND2 3.36Å; D66-A69 VanDerWaalsContact O-CB 3.25Å; D66-A69 WeakPolarHBondContact O-CB 3.28Å; D66-A69 PolarHBondContact O-N 3.42Å; D66-A69 VanDerWaalsContact O-N 3.11Å; D66-F133 VanDerWaalsContact C-CD2 3.46Å; D66-T136 HydrophobicContact CB-CG2 4.43Å
67L98.5Very high98.2Very high28 Ų2828.3 Ų28.315%0.14716%0.161CC..THydrogen-bonded Turntrans-60.1-23.9-17773.494.8000114.2T127 F133 A257 I265L67-T127 HydrophobicContact CB-CG2 3.94Å; L67-T127 HydrophobicContact CD2-CG2 3.99Å; L67-F133 HydrophobicContact CB-CE2 4.46Å; L67-A257 HydrophobicContact CD1-CB 4.39Å; L67-A257 HydrophobicContact CD2-CB 4.41Å; L67-I265 HydrophobicContact CB-CG2 3.84Å
68N98.6Very high98.4Very high46 Ų4628.6 Ų28.625%0.24616%0.161CC..THydrogen-bonded Turntrans-87.7-5.6-178.9-48-77.9000112.8S41 D66 Y70 E71 T72S41-N68 VanDerWaalsContact OG-CG 3.3Å; S41-N68 PolarHBondContact OG-ND2 2.72Å; S41-N68 VanDerWaalsContact OG-ND2 3.11Å; D66-N68 PolarHBondContact O-N 3.48Å; D66-N68 VanDerWaalsContact O-N 3.15Å; D66-N68 WeakPolarHBondContact OD1-CA 3.46Å; D66-N68 VanDerWaalsContact OD1-CB 3.24Å; D66-N68 WeakPolarHBondContact OD1-CB 3.09Å; D66-N68 PolarHBondContact OD1-N 3.09Å; D66-N68 PolarHBondContact OD1-ND2 3.36Å; N68-Y70 PolarHBondContact O-N 2.97Å; N68-E71 PolarHBondContact O-N 3.37Å; N68-T72 WeakPolarHBondContact O-CB 3.41Å; N68-T72 PolarHBondContact O-N 2.95Å; N68-T72 PolarHBondContact O-OG1 2.78Å
69A98.8Very high98.6Very high0 Ų026.4 Ų26.40%014%0.136CC..Hα-helixtrans-58.1-36.3179.900000112T40 D66 E71 T72 F73 F77T40-A69 HydrophobicContact CG2-CB 4.46Å; D66-A69 VanDerWaalsContact O-CB 3.25Å; D66-A69 WeakPolarHBondContact O-CB 3.28Å; D66-A69 PolarHBondContact O-N 3.42Å; D66-A69 VanDerWaalsContact O-N 3.11Å; A69-E71 VanDerWaalsContact C-N 3.33Å; A69-E71 PolarHBondContact O-N 2.96Å; A69-T72 PolarHBondContact O-N 2.96Å; A69-F73 HydrophobicContact CB-CD2 3.98Å; A69-F73 HydrophobicContact CB-CE2 4.17Å; A69-F73 WeakPolarHBondContact O-CD2 3.37Å; A69-F73 PolarHBondContact O-N 3.39Å; A69-F77 HydrophobicContact CB-CE2 4Å; A69-F77 HydrophobicContact CB-CZ 4.38Å; A69-F77 WeakPolarHBondContact O-CD2 3.28Å
70Y98.8Very high98.7Very high1 Ų126 Ų260%0.00413%0.132CC..Hα-helixtrans-64-33.5179.7-64.3-74.8000113.6N68 R74 F77 I81 L262 I265 T266 P269 L272N68-Y70 PolarHBondContact O-N 2.97Å; Y70-R74 WeakPolarHBondContact O-CA 3.22Å; Y70-F77 HydrophobicContact CD1-CB 4.06Å; Y70-F77 AromaticContact CD1-CD1 3.67Å; Y70-F77 HydrophobicContact CD1-CD1 3.67Å; Y70-F77 HydrophobicContact CD1-CD2 4.47Å; Y70-F77 HydrophobicContact CD1-CE1 4.22Å; Y70-F77 AromaticContact CD1-CG 3.82Å; Y70-F77 HydrophobicContact CD1-CG 3.82Å; Y70-F77 AromaticContact CE1-CD1 3.66Å; Y70-F77 HydrophobicContact CE1-CD1 3.66Å; Y70-F77 AromaticContact CE1-CE1 3.92Å; Y70-F77 HydrophobicContact CE1-CE1 3.92Å; Y70-F77 HydrophobicContact CE1-CG 4.29Å; Y70-I81 HydrophobicContact CD1-CD1 3.85Å; Y70-I81 HydrophobicContact CE1-CD1 4.14Å; Y70-L262 HydrophobicContact CD1-CD1 4.11Å; Y70-L262 HydrophobicContact CG-CD1 3.89Å; Y70-I265 HydrophobicContact CD2-CD1 4.38Å; Y70-I265 HydrophobicContact CD2-CG2 3.8Å; Y70-I265 HydrophobicContact CE2-CG2 3.69Å; Y70-T266 VanDerWaalsContact CE2-O 3.3Å; Y70-T266 WeakPolarHBondContact CE2-O 3.26Å; Y70-T266 PolarHBondContact OH-O 2.6Å; Y70-P269 HydrophobicContact CE1-CB 4.37Å; Y70-P269 HydrophobicContact CE1-CG 4.13Å; Y70-L272 HydrophobicContact CD1-CD1 4.32Å; Y70-L272 HydrophobicContact CE1-CD1 3.86Å; Y70-L272 HydrophobicContact CE1-CD2 4.3Å; Y70-L272 HydrophobicContact CE2-CD2 4.24Å
71E98.7Very high98.7Very high75 Ų7522 Ų2235%0.3511%0.111SC..Hα-helixtrans-90.1-35.8175.2-67.7-60.9156.900111.9N68 A69 R74 N259 R261N68-E71 PolarHBondContact O-N 3.37Å; A69-E71 VanDerWaalsContact C-N 3.33Å; A69-E71 PolarHBondContact O-N 2.96Å; E71-R74 WeakPolarHBondContact O-CB 3.33Å; E71-R74 IonicContact OE2-NH1 3.57Å; E71-N259 PolarHBondContact OE1-ND2 3.08Å; E71-R261 IonicContact OE1-NE 2.96Å
72T98.8Very high98.7Very high37 Ų3722.2 Ų22.223%0.22712%0.115CC..Hα-helixtrans-68.5-39.9-178.7-54.20000112.1Y35 T38 T40 N68 A69Y35-T72 VanDerWaalsContact CE1-O 3.24Å; Y35-T72 WeakPolarHBondContact CE1-O 3.39Å; T38-T72 HydrophobicContact CG2-CG2 3.68Å; T40-T72 HydrophobicContact CG2-CG2 4.1Å; N68-T72 WeakPolarHBondContact O-CB 3.41Å; N68-T72 PolarHBondContact O-N 2.95Å; N68-T72 PolarHBondContact O-OG1 2.78Å; A69-T72 PolarHBondContact O-N 2.96Å
73F98.8Very high98.7Very high0 Ų024.4 Ų24.40%013%0.127CC..THydrogen-bonded Turntrans-112.138.4-178.4-45.2-64000111.3Y35 T38 T40 L46 A69 D75 F76 F77Y35-F73 AromaticContact CD1-CD1 3.63Å; Y35-F73 HydrophobicContact CD1-CD1 3.63Å; Y35-F73 HydrophobicContact CD1-CE1 4.35Å; Y35-F73 HydrophobicContact CD2-CD1 4.48Å; Y35-F73 HydrophobicContact CE1-CD1 4.23Å; Y35-F73 AromaticContact CG-CD1 3.77Å; Y35-F73 HydrophobicContact CG-CD1 3.77Å; T38-F73 HydrophobicContact CG2-CE1 4.04Å; T40-F73 HydrophobicContact CG2-CE2 3.64Å; T40-F73 HydrophobicContact CG2-CZ 3.94Å; L46-F73 HydrophobicContact CB-CD1 3.87Å; L46-F73 HydrophobicContact CB-CD2 4.3Å; L46-F73 HydrophobicContact CB-CE1 3.92Å; L46-F73 HydrophobicContact CB-CE2 4.35Å; L46-F73 HydrophobicContact CB-CG 4.07Å; L46-F73 HydrophobicContact CB-CZ 4.19Å; L46-F73 HydrophobicContact CD1-CB 4.05Å; L46-F73 HydrophobicContact CD1-CD2 4.24Å; L46-F73 HydrophobicContact CD1-CG 4.06Å; L46-F73 HydrophobicContact CG-CG 4.49Å; L46-F73 VanDerWaalsContact N-CZ 3.28Å; A69-F73 HydrophobicContact CB-CD2 3.98Å; A69-F73 HydrophobicContact CB-CE2 4.17Å; A69-F73 WeakPolarHBondContact O-CD2 3.37Å; A69-F73 PolarHBondContact O-N 3.39Å; F73-D75 PolarHBondContact O-N 2.93Å; F73-F76 PolarHBondContact O-N 3.39Å; F73-F76 VanDerWaalsContact O-N 3.08Å; F73-F77 HydrophobicContact CB-CD2 3.94Å; F73-F77 HydrophobicContact CB-CE2 4.1Å; F73-F77 HydrophobicContact CD2-CE2 4.13Å; F73-F77 PolarHBondContact O-N 3.39Å; F73-F77 VanDerWaalsContact O-N 3.16Å
74R98.7Very high98.7Very high98 Ų9826.5 Ų26.537%0.3714%0.135SC..Hα-helixtrans-55.1-44.2-166.5-176.1170.5169.5174.1-9.7114.5Y70 E71 F76 F77 D78 R261Y70-R74 WeakPolarHBondContact O-CA 3.22Å; E71-R74 WeakPolarHBondContact O-CB 3.33Å; E71-R74 IonicContact OE2-NH1 3.57Å; R74-F76 PolarHBondContact O-N 3.35Å; R74-F76 VanDerWaalsContact O-N 3.16Å; R74-F77 PolarHBondContact O-N 2.87Å; R74-D78 HydrophobicContact CG-CB 4.48Å; R74-D78 WeakPolarHBondContact CG-OD2 3.48Å; R74-D78 IonicContact NE-OD2 2.92Å; R74-D78 PolarHBondContact NE-OD2 3.21Å; R74-D78 VanDerWaalsContact NE-OD2 3.1Å; R74-D78 VanDerWaalsContact O-CB 3.3Å; R74-D78 WeakPolarHBondContact O-CB 3.5Å; R74-D78 PolarHBondContact O-N 3.14Å; R74-R261 VanDerWaalsContact NE-CZ 3.28Å; R74-R261 VanDerWaalsContact NH2-CZ 3.29Å
75D98.7Very high98.7Very high79 Ų7928.2 Ų28.242%0.42214%0.143SC..Hα-helixtrans-55.1-37.1179.7-57.817.3000112.6I31 K34 Y35 F73I31-D75 HydrophobicContact CD1-CB 3.58Å; K34-D75 WeakPolarHBondContact CD-OD2 3.43Å; K34-D75 IonicContact NZ-OD1 3.38Å; K34-D75 PolarHBondContact NZ-OD1 3.21Å; K34-D75 VanDerWaalsContact NZ-OD1 3.13Å; K34-D75 IonicContact NZ-OD2 2.63Å; K34-D75 PolarHBondContact NZ-OD2 3.32Å; Y35-D75 HydrophobicContact CE2-CB 4.18Å; Y35-D75 VanDerWaalsContact OH-CG 3.26Å; Y35-D75 PolarHBondContact OH-N 3.24Å; Y35-D75 PolarHBondContact OH-OD1 3.2Å; Y35-D75 VanDerWaalsContact OH-OD1 3.14Å; F73-D75 PolarHBondContact O-N 2.93Å
76F98.9Very high98.6Very high0 Ų034.6 Ų34.60%017%0.171CC..Hα-helixtrans-76.5-50.7177.9171.1-104.7000111.2T23 L27 I31 L46 V50 P62 F73 R74 A79 V80T23-F76 HydrophobicContact CG2-CE2 4.44Å; T23-F76 HydrophobicContact CG2-CZ 4.08Å; L27-F76 HydrophobicContact CB-CE2 4.14Å; L27-F76 HydrophobicContact CD1-CD2 4.43Å; L27-F76 HydrophobicContact CD1-CE2 4.38Å; I31-F76 HydrophobicContact CD1-CB 4.3Å; I31-F76 HydrophobicContact CG2-CB 3.96Å; I31-F76 HydrophobicContact CG2-CD2 4.26Å; I31-F76 HydrophobicContact CG2-CG 4.4Å; L46-F76 HydrophobicContact CD1-CD1 3.66Å; L46-F76 HydrophobicContact CD1-CE1 4.01Å; L46-F76 HydrophobicContact CD1-CG 4.27Å; V50-F76 HydrophobicContact CG1-CE1 4.11Å; V50-F76 HydrophobicContact CG1-CZ 3.88Å; P62-F76 HydrophobicContact CB-CE1 4.02Å; P62-F76 HydrophobicContact CB-CZ 4.15Å; P62-F76 HydrophobicContact CG-CE1 3.76Å; P62-F76 HydrophobicContact CG-CZ 3.93Å; F73-F76 PolarHBondContact O-N 3.39Å; F73-F76 VanDerWaalsContact O-N 3.08Å; R74-F76 PolarHBondContact O-N 3.35Å; R74-F76 VanDerWaalsContact O-N 3.16Å; F76-A79 PolarHBondContact O-N 3.33Å; F76-V80 HydrophobicContact CD2-CG2 4.37Å; F76-V80 HydrophobicContact CE1-CG2 4.34Å; F76-V80 HydrophobicContact CE2-CG2 3.96Å; F76-V80 HydrophobicContact CZ-CG2 3.94Å; F76-V80 WeakPolarHBondContact O-CG2 3.21Å; F76-V80 PolarHBondContact O-N 3.34Å; F76-V80 VanDerWaalsContact O-N 3.14Å
77F98.9Very high98.6Very high0 Ų036 Ų360%018%0.179CC..Hα-helixtrans-68.8-39.9-176.2-82-73.5000112.8L46 C49 P62 A69 Y70 F73 R74 A79 V80 I81 P269L46-F77 HydrophobicContact CD1-CE2 4.39Å; C49-F77 HydrophobicContact CB-CZ 4.07Å; P62-F77 HydrophobicContact CG-CE1 3.96Å; A69-F77 HydrophobicContact CB-CE2 4Å; A69-F77 HydrophobicContact CB-CZ 4.38Å; A69-F77 WeakPolarHBondContact O-CD2 3.28Å; Y70-F77 HydrophobicContact CD1-CB 4.06Å; Y70-F77 AromaticContact CD1-CD1 3.67Å; Y70-F77 HydrophobicContact CD1-CD1 3.67Å; Y70-F77 HydrophobicContact CD1-CD2 4.47Å; Y70-F77 HydrophobicContact CD1-CE1 4.22Å; Y70-F77 AromaticContact CD1-CG 3.82Å; Y70-F77 HydrophobicContact CD1-CG 3.82Å; Y70-F77 AromaticContact CE1-CD1 3.66Å; Y70-F77 HydrophobicContact CE1-CD1 3.66Å; Y70-F77 AromaticContact CE1-CE1 3.92Å; Y70-F77 HydrophobicContact CE1-CE1 3.92Å; Y70-F77 HydrophobicContact CE1-CG 4.29Å; F73-F77 HydrophobicContact CB-CD2 3.94Å; F73-F77 HydrophobicContact CB-CE2 4.1Å; F73-F77 HydrophobicContact CD2-CE2 4.13Å; F73-F77 PolarHBondContact O-N 3.39Å; F73-F77 VanDerWaalsContact O-N 3.16Å; R74-F77 PolarHBondContact O-N 2.87Å; F77-A79 VanDerWaalsContact C-N 3.29Å; F77-A79 PolarHBondContact O-N 3.09Å; F77-V80 PolarHBondContact O-N 3.41Å; F77-I81 HydrophobicContact CB-CD1 4.1Å; F77-I81 VanDerWaalsContact O-CB 3.24Å; F77-I81 WeakPolarHBondContact O-CB 3.35Å; F77-I81 WeakPolarHBondContact O-CD1 3.43Å; F77-I81 WeakPolarHBondContact O-CG1 3.41Å; F77-I81 PolarHBondContact O-N 2.93Å; F77-P269 HydrophobicContact CD1-CG 4.29Å; F77-P269 HydrophobicContact CE1-CG 4.12Å
78D98.8Very high98.4Very high31 Ų3139.5 Ų39.517%0.16620%0.204CC..Hα-helixtrans-60.6-41177.8-81.99.4000110.9R74 I81 A82 I92 R261R74-D78 HydrophobicContact CG-CB 4.48Å; R74-D78 WeakPolarHBondContact CG-OD2 3.48Å; R74-D78 IonicContact NE-OD2 2.92Å; R74-D78 PolarHBondContact NE-OD2 3.21Å; R74-D78 VanDerWaalsContact NE-OD2 3.1Å; R74-D78 VanDerWaalsContact O-CB 3.3Å; R74-D78 WeakPolarHBondContact O-CB 3.5Å; R74-D78 PolarHBondContact O-N 3.14Å; D78-I81 PolarHBondContact O-N 2.89Å; D78-A82 WeakPolarHBondContact O-CB 3.01Å; D78-A82 PolarHBondContact O-N 3.22Å; D78-I92 HydrophobicContact CB-CD1 3.84Å; D78-R261 IonicContact OD1-CZ 3.1Å; D78-R261 IonicContact OD1-NH1 3.73Å; D78-R261 IonicContact OD1-NH2 3.34Å; D78-R261 PolarHBondContact OD1-NH2 3.4Å; D78-R261 IonicContact OD2-CZ 3.03Å; D78-R261 IonicContact OD2-NH1 2.84Å; D78-R261 PolarHBondContact OD2-NH1 2.91Å; D78-R261 IonicContact OD2-NH2 3.9Å; D78-R261 PolarHBondContact OD2-NH2 3.35Å
79A98.7Very high98.3Very high30 Ų3044.3 Ų44.325%0.24823%0.23CC..Hα-helixtrans-64.6-46.1176.700000112.1Y26 F76 F77 D83Y26-A79 HydrophobicContact CD1-CB 3.55Å; Y26-A79 HydrophobicContact CD2-CB 4.28Å; Y26-A79 HydrophobicContact CE1-CB 3.84Å; Y26-A79 HydrophobicContact CG-CB 3.79Å; F76-A79 PolarHBondContact O-N 3.33Å; F77-A79 VanDerWaalsContact C-N 3.29Å; F77-A79 PolarHBondContact O-N 3.09Å; A79-D83 WeakPolarHBondContact O-CB 3.48Å; A79-D83 PolarHBondContact O-N 2.81Å
80V98.8Very high98Very high0 Ų046.3 Ų46.30%025%0.25CC..Hα-helixtrans-62.3-44.3176.61710000111.6L22 Y26 L61 P62 F76 F77 Y84L22-V80 HydrophobicContact CB-CG1 4.27Å; L22-V80 HydrophobicContact CB-CG2 4.43Å; L22-V80 HydrophobicContact CD1-CG1 4.45Å; Y26-V80 HydrophobicContact CD2-CG2 3.85Å; Y26-V80 HydrophobicContact CG-CG2 4.36Å; L61-V80 HydrophobicContact CD2-CG1 3.82Å; P62-V80 HydrophobicContact CG-CG1 4.17Å; F76-V80 HydrophobicContact CD2-CG2 4.37Å; F76-V80 HydrophobicContact CE1-CG2 4.34Å; F76-V80 HydrophobicContact CE2-CG2 3.96Å; F76-V80 HydrophobicContact CZ-CG2 3.94Å; F76-V80 WeakPolarHBondContact O-CG2 3.21Å; F76-V80 PolarHBondContact O-N 3.34Å; F76-V80 VanDerWaalsContact O-N 3.14Å; F77-V80 PolarHBondContact O-N 3.41Å; V80-Y84 WeakPolarHBondContact O-CB 3.07Å; V80-Y84 PolarHBondContact O-N 3.43Å
81I98.8Very high97.9Very high0 Ų053.1 Ų53.10%028%0.279CS..Hα-helixtrans-68.2-47.2-177.4-70.6164000110.5Y70 F77 D78 D83 Y84 H85 I92 L262 P269 L272 L327Y70-I81 HydrophobicContact CD1-CD1 3.85Å; Y70-I81 HydrophobicContact CE1-CD1 4.14Å; F77-I81 HydrophobicContact CB-CD1 4.1Å; F77-I81 VanDerWaalsContact O-CB 3.24Å; F77-I81 WeakPolarHBondContact O-CB 3.35Å; F77-I81 WeakPolarHBondContact O-CD1 3.43Å; F77-I81 WeakPolarHBondContact O-CG1 3.41Å; F77-I81 PolarHBondContact O-N 2.93Å; D78-I81 PolarHBondContact O-N 2.89Å; I81-D83 VanDerWaalsContact C-N 3.31Å; I81-D83 PolarHBondContact O-N 2.97Å; I81-Y84 PolarHBondContact O-N 3.45Å; I81-H85 WeakPolarHBondContact O-CB 3.29Å; I81-H85 PolarHBondContact O-N 3.39Å; I81-I92 HydrophobicContact CB-CD1 4.18Å; I81-I92 HydrophobicContact CG2-CD1 3.92Å; I81-I92 HydrophobicContact CG2-CG1 4.36Å; I81-I92 HydrophobicContact CG2-CG2 4.32Å; I81-L262 HydrophobicContact CD1-CD1 4.35Å; I81-L262 HydrophobicContact CD1-CD2 3.99Å; I81-L262 HydrophobicContact CG2-CD2 4.41Å; I81-P269 HydrophobicContact CG1-CB 4.25Å; I81-L272 HydrophobicContact CD1-CD1 3.53Å; I81-L272 HydrophobicContact CG1-CD1 3.85Å; I81-L272 HydrophobicContact CG2-CD1 4.5Å; I81-L327 HydrophobicContact CG2-CD2 3.71Å
82A98.6Very high97.9Very high17 Ų1750.1 Ų50.114%0.1427%0.266CS..Hα-helixtrans-60.5-41.2179.900000111.8D78 K86 V87 I92D78-A82 WeakPolarHBondContact O-CB 3.01Å; D78-A82 PolarHBondContact O-N 3.22Å; A82-K86 WeakPolarHBondContact O-CA 3.09Å; A82-K86 PolarHBondContact O-N 2.69Å; A82-K86 VanDerWaalsContact O-N 3.1Å; A82-V87 HydrophobicContact CB-CB 4.28Å; A82-V87 PolarHBondContact O-N 3.05Å; A82-I92 HydrophobicContact CB-CD1 4.34Å; A82-I92 HydrophobicContact CB-CG1 4.37Å
83D98.6Very high97.9Very high46 Ų4655.1 Ų55.125%0.24629%0.287CS..Hα-helixtrans-66.8-56176.4-170.3-29.1000111.3L22 K25 Y26 A79 I81 H85 K86L22-D83 HydrophobicContact CD1-CB 4.1Å; L22-D83 HydrophobicContact CD2-CB 4.42Å; L22-D83 WeakPolarHBondContact CD2-OD2 3.27Å; K25-D83 IonicContact NZ-OD2 2.78Å; K25-D83 PolarHBondContact NZ-OD2 3.47Å; Y26-D83 HydrophobicContact CE2-CB 3.78Å; Y26-D83 WeakPolarHBondContact CE2-OD2 3.37Å; Y26-D83 PolarHBondContact OH-OD2 2.52Å; A79-D83 WeakPolarHBondContact O-CB 3.48Å; A79-D83 PolarHBondContact O-N 2.81Å; I81-D83 VanDerWaalsContact C-N 3.31Å; I81-D83 PolarHBondContact O-N 2.97Å; D83-H85 PolarHBondContact O-N 3.41Å; D83-K86 PolarHBondContact O-N 3.08Å
84Y98.2Very high97.9Very high67 Ų6755.9 Ų55.926%0.26329%0.29SS..Hα-helixtrans-58.8-47.6-175.3-177.5-97000112.6L22 L60 L61 V80 I81 K86 S270L22-Y84 HydrophobicContact CD1-CD2 4.49Å; L60-Y84 HydrophobicContact CD2-CD2 4Å; L60-Y84 HydrophobicContact CD2-CE2 3.93Å; L61-Y84 HydrophobicContact CD1-CD1 4.38Å; L61-Y84 HydrophobicContact CD1-CD2 3.82Å; L61-Y84 HydrophobicContact CD1-CE1 4.34Å; L61-Y84 HydrophobicContact CD1-CE2 3.76Å; L61-Y84 HydrophobicContact CD1-CG 4.13Å; L61-Y84 HydrophobicContact CD2-CD2 3.76Å; L61-Y84 HydrophobicContact CD2-CE2 4.46Å; L61-Y84 HydrophobicContact CD2-CG 4.02Å; L61-Y84 HydrophobicContact CG-CD2 4.11Å; L61-Y84 HydrophobicContact CG-CE2 4.31Å; V80-Y84 WeakPolarHBondContact O-CB 3.07Å; V80-Y84 PolarHBondContact O-N 3.43Å; I81-Y84 PolarHBondContact O-N 3.45Å; Y84-K86 VanDerWaalsContact C-N 3.26Å; Y84-K86 PolarHBondContact O-N 2.71Å; Y84-S270 WeakPolarHBondContact OH-CB 3.19Å
85H98Very high97.9Very high38 Ų3853.5 Ų53.518%0.17629%0.287CS..THydrogen-bonded Turntrans-83.10.9-179.7-69.5-79000113.4I81 D83 V87 P269 L327I81-H85 WeakPolarHBondContact O-CB 3.29Å; I81-H85 PolarHBondContact O-N 3.39Å; D83-H85 PolarHBondContact O-N 3.41Å; H85-V87 VanDerWaalsContact C-N 3.31Å; H85-V87 HydrophobicContact CB-CG2 3.92Å; H85-V87 PolarHBondContact O-N 3.07Å; H85-P269 PolarHBondContact NE2-O 3.46Å; H85-L327 HydrophobicContact CB-CB 4.39Å; H85-L327 HydrophobicContact CB-CD2 4.2Å
86K97.5Very high97.8Very high134 Ų13456.3 Ų56.358%0.58330%0.296SS*.THydrogen-bonded Turntrans52.548.7-179.6-62.2175.1171.550.60112A82 D83 Y84 P88A82-K86 WeakPolarHBondContact O-CA 3.09Å; A82-K86 PolarHBondContact O-N 2.69Å; A82-K86 VanDerWaalsContact O-N 3.1Å; D83-K86 PolarHBondContact O-N 3.08Å; Y84-K86 VanDerWaalsContact C-N 3.26Å; Y84-K86 PolarHBondContact O-N 2.71Å; K86-P88 WeakPolarHBondContact O-CD 3.35Å
87V97.8Very high97.8Very high28 Ų2858.7 Ų58.717%0.1731%0.312CS..  trans-73.7120.4-177.5-178.80000109.6A82 H85 D89 G90 K91 I92A82-V87 HydrophobicContact CB-CB 4.28Å; A82-V87 PolarHBondContact O-N 3.05Å; H85-V87 VanDerWaalsContact C-N 3.31Å; H85-V87 HydrophobicContact CB-CG2 3.92Å; H85-V87 PolarHBondContact O-N 3.07Å; V87-D89 PolarHBondContact O-N 3.01Å; V87-G90 PolarHBondContact O-N 3.26Å; V87-K91 VanDerWaalsContact CG1-C 3.45Å; V87-K91 WeakPolarHBondContact CG1-O 3.38Å; V87-I92 HydrophobicContact CG1-CG1 4.22Å; V87-I92 HydrophobicContact CG2-CG1 4.35Å
88P94.9Very high97.8Very high103 Ų10362.4 Ų62.467%0.66933%0.332SS*.G310 helixtrans-56.9132.1178.2-24.935000112K86 G90 K91K86-P88 WeakPolarHBondContact O-CD 3.35Å; P88-G90 PolarHBondContact O-N 3.12Å; P88-K91 PolarHBondContact O-N 2.91Å
89D95.6Very high97.8Very high147 Ų14761.4 Ų61.479%0.78633%0.327SS*.G310 helixtrans52.217.7-179.5-53.3-31.3000115.3V87 K91V87-D89 PolarHBondContact O-N 3.01Å; D89-K91 HydrophobicContact CB-CG 4.35Å; D89-K91 PolarHBondContact O-N 3.04Å
90G94.1Very high97.8Very high41 Ų4160.9 Ų60.942%0.42332%0.324SS..G310 helixtrans65.713.7-173.600000114.8V87 P88 I92V87-G90 PolarHBondContact O-N 3.26Å; P88-G90 PolarHBondContact O-N 3.12Å; G90-I92 VanDerWaalsContact C-N 3.3Å; G90-I92 PolarHBondContact O-N 3.21Å
91K96.9Very high97.7Very high144 Ų14465.5 Ų65.563%0.62635%0.348SS*.  trans-78.376.2178.6-69.9-179-178.6169.20111.4V87 P88 D89 Q93V87-K91 VanDerWaalsContact CG1-C 3.45Å; V87-K91 WeakPolarHBondContact CG1-O 3.38Å; P88-K91 PolarHBondContact O-N 2.91Å; D89-K91 HydrophobicContact CB-CG 4.35Å; D89-K91 PolarHBondContact O-N 3.04Å; K91-Q93 PolarHBondContact O-N 2.86Å
92I98.4Very high97.6Very high13 Ų1366.5 Ų66.57%0.06735%0.354CS..  trans-66.6121.6-178.3-57.4165.8000110.3D78 I81 A82 V87 G90 R261 L262 L327D78-I92 HydrophobicContact CB-CD1 3.84Å; I81-I92 HydrophobicContact CB-CD1 4.18Å; I81-I92 HydrophobicContact CG2-CD1 3.92Å; I81-I92 HydrophobicContact CG2-CG1 4.36Å; I81-I92 HydrophobicContact CG2-CG2 4.32Å; A82-I92 HydrophobicContact CB-CD1 4.34Å; A82-I92 HydrophobicContact CB-CG1 4.37Å; V87-I92 HydrophobicContact CG1-CG1 4.22Å; V87-I92 HydrophobicContact CG2-CG1 4.35Å; G90-I92 VanDerWaalsContact C-N 3.3Å; G90-I92 PolarHBondContact O-N 3.21Å; I92-R261 HydrophobicContact CG2-CB 4.45Å; I92-R261 WeakPolarHBondContact CG2-O 3.25Å; I92-L262 HydrophobicContact CG2-CD2 3.63Å; I92-L327 HydrophobicContact CG2-CD2 4.07Å
93Q97.7Very high97.4Very high142 Ų14275.1 Ų75.166%0.66439%0.388SS*.  trans-149152.2179.762.5-176.336.100111K91 R261 G328K91-Q93 PolarHBondContact O-N 2.86Å; Q93-R261 CarbonylContact C-O 3.59Å; Q93-R261 VanDerWaalsContact C-O 3.28Å; Q93-G328 WeakPolarHBondContact O-CA 3.16Å
94H98.7Very high97.3Very high16 Ų1677 Ų777%0.07441%0.405CS..  trans-141.4134.6174.3-167.868.6000110.8R261 G263 G273 T274 L327 G328 L329H94-R261 PolarHBondContact N-O 3.36Å; H94-G263 WeakPolarHBondContact CD2-CA 3.43Å; H94-G273 WeakPolarHBondContact CE1-CA 3.26Å; H94-G273 VanDerWaalsContact NE2-C 3.3Å; H94-T274 PolarHBondContact CE1-N 3.42Å; H94-T274 VanDerWaalsContact CE1-N 3.29Å; H94-L327 HydrophobicContact CB-CD1 4.05Å; H94-G328 PolarHBondContact ND1-N 3.34Å; H94-L329 PolarHBondContact CE1-O 3.39Å
95P98.5Very high97.1Very high48 Ų4875.2 Ų75.231%0.31240%0.4SS..PPolyproline II helixtrans-68.3168.1175.130.4-35.9000111.4L329 T330P95-L329 VanDerWaalsContact CG-C 3.48Å; P95-T330 HydrophobicContact CB-CG2 4.06Å; P95-T330 HydrophobicContact CG-CG2 3.77Å
96K98.5Very high97Very high137 Ų13777.9 Ų77.960%0.59642%0.423SS*.PPolyproline II helixtrans-65.2149.5169.6-63-61.7-175.2-177.60110.1N98 F258 D260K96-N98 PolarHBondContact O-N 3.22Å; K96-F258 HydrophobicContact CD-CE1 4.27Å; K96-F258 HydrophobicContact CD-CZ 4.45Å; K96-D260 IonicContact NZ-OD1 2.65Å; K96-D260 PolarHBondContact NZ-OD1 2.64Å
97S98.6Very high97Very high50 Ų5072.8 Ų72.835%0.3540%0.401SS..PPolyproline II helixtrans-55.4134.2177.7-173.60000110.9E331S97-E331 WeakPolarHBondContact CA-OE2 3.41Å; S97-E331 PolarHBondContact OG-OE1 2.93Å; S97-E331 PolarHBondContact OG-OE2 3.39Å
98N98.6Very high97Very high79 Ų7974.5 Ų74.542%0.42241%0.411SS..  trans-155.7112.9178.4-178.618.8000110.6K96 G100 T330 E331 L332K96-N98 PolarHBondContact O-N 3.22Å; N98-G100 PolarHBondContact OD1-N 3.38Å; N98-T330 HydrophobicContact CB-CG2 3.99Å; N98-E331 PolarHBondContact N-OE2 2.7Å; N98-E331 PolarHBondContact O-N 3.43Å; N98-L332 PolarHBondContact O-N 3.19Å
99F98.6Very high97.2Very high10 Ų1072.6 Ų72.64%0.04440%0.396CS..  trans-88.2-5.5175.5-74.1-94.3000113.6L102 L124 Y240 A244 I247 E331F99-L102 HydrophobicContact CB-CD2 4.25Å; F99-L124 HydrophobicContact CE1-CD1 3.98Å; F99-L124 HydrophobicContact CZ-CD1 3.73Å; F99-Y240 VanDerWaalsContact CA-OH 3.25Å; F99-Y240 WeakPolarHBondContact CA-OH 3.36Å; F99-Y240 HydrophobicContact CD1-CE1 4.45Å; F99-Y240 AromaticContact CD1-CE2 3.99Å; F99-Y240 HydrophobicContact CD1-CE2 3.99Å; F99-Y240 AromaticContact CD1-CZ 3.7Å; F99-Y240 WeakPolarHBondContact CD1-OH 3.48Å; F99-Y240 HydrophobicContact CE1-CE2 4.46Å; F99-Y240 WeakPolarHBondContact O-CE1 3.44Å; F99-Y240 PolarHBondContact O-OH 3.27Å; F99-A244 HydrophobicContact CB-CB 4.08Å; F99-A244 HydrophobicContact CD1-CB 3.47Å; F99-A244 VanDerWaalsContact CD1-CB 3.47Å; F99-A244 HydrophobicContact CE1-CB 4.09Å; F99-A244 HydrophobicContact CG-CB 3.87Å; F99-I247 HydrophobicContact CE1-CG2 4.32Å; F99-I247 HydrophobicContact CE2-CG2 3.96Å; F99-I247 HydrophobicContact CZ-CG2 3.66Å; F99-E331 HydrophobicContact CD1-CB 3.83Å; F99-E331 HydrophobicContact CD1-CG 4.28Å; F99-E331 HydrophobicContact CD2-CB 4.42Å; F99-E331 HydrophobicContact CD2-CG 4.41Å; F99-E331 HydrophobicContact CE1-CB 3.81Å; F99-E331 HydrophobicContact CE1-CG 3.79Å; F99-E331 HydrophobicContact CE2-CB 4.4Å; F99-E331 HydrophobicContact CE2-CG 3.94Å; F99-E331 HydrophobicContact CG-CB 4.15Å; F99-E331 HydrophobicContact CZ-CB 4.1Å; F99-E331 HydrophobicContact CZ-CG 3.61Å
100G97.9Very high97.3Very high19 Ų1965.6 Ų65.620%0.19636%0.358CS..  trans85176-171.800000113.3N98 L102N98-G100 PolarHBondContact OD1-N 3.38Å; G100-L102 PolarHBondContact O-N 3.29Å; G100-L102 VanDerWaalsContact O-N 3.16Å
101D97.8Very high97.5Very high96 Ų9665.2 Ų65.251%0.51335%0.346SS..  trans-75.999.5170.5172.120.1000109.9K103 S104 L105D101-K103 PolarHBondContact O-N 3.01Å; D101-K103 VanDerWaalsContact O-N 3.07Å; D101-K103 PolarHBondContact OD1-N 3.3Å; D101-S104 VanDerWaalsContact CG-OG 3.23Å; D101-S104 PolarHBondContact O-N 2.93Å; D101-S104 PolarHBondContact O-OG 3.41Å; D101-S104 WeakPolarHBondContact OD2-CB 3.4Å; D101-S104 PolarHBondContact OD2-OG 2.91Å; D101-L105 VanDerWaalsContact O-CB 3.3Å; D101-L105 WeakPolarHBondContact O-CB 3.43Å; D101-L105 PolarHBondContact O-N 3.41Å
102L96.1Very high97.6Very high21 Ų2163 Ų6311%0.1135%0.345CS..THydrogen-bonded Turntrans-61.7-17.8-176.9-58-178.9000113.3F99 G100 L105 Y240 K241 A244 D245F99-L102 HydrophobicContact CB-CD2 4.25Å; G100-L102 PolarHBondContact O-N 3.29Å; G100-L102 VanDerWaalsContact O-N 3.16Å; L102-L105 HydrophobicContact CD2-CD2 4.48Å; L102-Y240 HydrophobicContact CD2-CD1 4.46Å; L102-Y240 HydrophobicContact CD2-CE1 4.04Å; L102-K241 HydrophobicContact CD2-CG 4.44Å; L102-K241 WeakPolarHBondContact O-CD 3.39Å; L102-K241 WeakPolarHBondContact O-CE 3.43Å; L102-K241 PolarHBondContact O-NZ 2.94Å; L102-A244 HydrophobicContact CD1-CB 3.7Å; L102-A244 HydrophobicContact CD2-CB 3.88Å; L102-A244 HydrophobicContact CG-CB 4.45Å; L102-D245 WeakPolarHBondContact CD1-OD1 3.48Å
103K95.7Very high97.6Very high199 Ų19963.4 Ų63.487%0.86535%0.346SS*.THydrogen-bonded Turntrans-78.3-41.2177.9-66.8-177.8-179.7179.10112D101D101-K103 PolarHBondContact O-N 3.01Å; D101-K103 VanDerWaalsContact O-N 3.07Å; D101-K103 PolarHBondContact OD1-N 3.3Å
104S95.1Very high97.6Very high86 Ų8658.7 Ų58.760%0.60134%0.335SS*.THydrogen-bonded Turntrans-92.5-15.9-179.560.50000113.9D101 S106D101-S104 VanDerWaalsContact CG-OG 3.23Å; D101-S104 PolarHBondContact O-N 2.93Å; D101-S104 PolarHBondContact O-OG 3.41Å; D101-S104 WeakPolarHBondContact OD2-CB 3.4Å; D101-S104 PolarHBondContact OD2-OG 2.91Å; S104-S106 PolarHBondContact O-N 3.08Å
105L95Very high97.6Very high28 Ų2863.8 Ų63.815%0.14736%0.363CS..  trans-63.5131.6-179.9-169.965.9000111.8D101 L102 F107 I237 Y240 K241 L332D101-L105 VanDerWaalsContact O-CB 3.3Å; D101-L105 WeakPolarHBondContact O-CB 3.43Å; D101-L105 PolarHBondContact O-N 3.41Å; L102-L105 HydrophobicContact CD2-CD2 4.48Å; L105-F107 HydrophobicContact CD1-CE2 4.15Å; L105-F107 HydrophobicContact CD1-CZ 4Å; L105-F107 HydrophobicContact CD2-CE2 3.99Å; L105-F107 HydrophobicContact CG-CE2 4.07Å; L105-F107 HydrophobicContact CG-CZ 4.43Å; L105-I237 HydrophobicContact CB-CD1 4.18Å; L105-I237 HydrophobicContact CD2-CD1 3.96Å; L105-I237 HydrophobicContact CG-CD1 3.73Å; L105-I237 WeakPolarHBondContact O-CD1 3.3Å; L105-Y240 HydrophobicContact CD2-CD1 3.69Å; L105-Y240 HydrophobicContact CD2-CE1 3.43Å; L105-Y240 VanDerWaalsContact CD2-CE1 3.43Å; L105-K241 WeakPolarHBondContact O-CE 3.39Å; L105-K241 PolarHBondContact O-NZ 3.01Å; L105-L332 HydrophobicContact CD1-CD1 3.58Å; L105-L332 HydrophobicContact CD2-CD1 4.03Å; L105-L332 HydrophobicContact CG-CD1 4.48Å
106S94.9Very high97.5Very high95 Ų9562.4 Ų62.466%0.66435%0.353SS*.  trans-145141177.3-174.60000110.6S104S104-S106 PolarHBondContact O-N 3.08Å
107F97Very high97.5Very high27 Ų2756.2 Ų56.212%0.11833%0.326CS..  trans-128.9146169.8-66.8-64.3000107.9L105 L236 I237 V335 H339L105-F107 HydrophobicContact CD1-CE2 4.15Å; L105-F107 HydrophobicContact CD1-CZ 4Å; L105-F107 HydrophobicContact CD2-CE2 3.99Å; L105-F107 HydrophobicContact CG-CE2 4.07Å; L105-F107 HydrophobicContact CG-CZ 4.43Å; F107-L236 HydrophobicContact CD2-CD2 4.43Å; F107-I237 HydrophobicContact CB-CB 4.41Å; F107-I237 HydrophobicContact CD2-CB 4.38Å; F107-I237 HydrophobicContact CD2-CD1 3.78Å; F107-I237 HydrophobicContact CE2-CD1 4.24Å; F107-V335 HydrophobicContact CE2-CG1 3.95Å; F107-V335 HydrophobicContact CE2-CG2 4.28Å; F107-V335 HydrophobicContact CZ-CG1 3.87Å; F107-H339 HydrophobicContact CD1-CB 4.03Å; F107-H339 AromaticContact CD1-CG 3.73Å; F107-H339 AromaticContact CD1-ND1 3.87Å; F107-H339 HydrophobicContact CE1-CB 4.32Å
108T98.2Very high97.3Very high63 Ų6356.9 Ų56.939%0.38733%0.328SS..  trans-65.5142.6170.850.30000110.1L110 Y113 H339T108-L110 PolarHBondContact O-N 3.32Å; T108-Y113 PolarHBondContact OG1-OH 2.97Å; T108-H339 PolarHBondContact O-NE2 2.99Å; T108-H339 PolarHBondContact OG1-CE1 2.85Å; T108-H339 PolarHBondContact OG1-NE2 2.93Å
109D98.6Very high97.2Very high64 Ų6454 Ų5434%0.34231%0.314SS..  trans-60.2126.9171.3-171-44.8000109N111 T112 G234D109-N111 PolarHBondContact O-N 3.3Å; D109-N111 WeakPolarHBondContact OD1-CB 3.47Å; D109-N111 PolarHBondContact OD1-N 3.41Å; D109-T112 WeakPolarHBondContact O-CB 3.49Å; D109-T112 PolarHBondContact O-N 3.18Å; D109-T112 PolarHBondContact O-OG1 3.46Å; D109-G234 WeakPolarHBondContact OD1-CA 3.33Å
110L98.7Very high97.1Very high0 Ų053.6 Ų53.60%031%0.313CS..G310 helixtrans-66.9-18-176.3-70.3169000113.1T108 T112 Y113 V117 G234 V280 V342 R343 L346T108-L110 PolarHBondContact O-N 3.32Å; L110-T112 PolarHBondContact O-N 2.87Å; L110-Y113 HydrophobicContact CD2-CD2 4.44Å; L110-Y113 HydrophobicContact CD2-CE2 4.41Å; L110-Y113 WeakPolarHBondContact O-CD2 3.48Å; L110-Y113 PolarHBondContact O-N 2.78Å; L110-V117 HydrophobicContact CB-CG2 3.88Å; L110-G234 PolarHBondContact N-O 2.9Å; L110-V280 HydrophobicContact CD1-CG1 3.55Å; L110-V342 HydrophobicContact CD1-CG1 4.03Å; L110-V342 HydrophobicContact CD2-CB 4.45Å; L110-V342 HydrophobicContact CD2-CG1 4.06Å; L110-R343 HydrophobicContact CD2-CB 4.38Å; L110-L346 HydrophobicContact CB-CD1 4.12Å; L110-L346 HydrophobicContact CD2-CD1 4.42Å; L110-L346 WeakPolarHBondContact O-CD1 3.22Å
111N98.5Very high97.1Very high32 Ų3255 Ų5517%0.17131%0.312CS..G310 helixtrans-73.7-8.8171.4-86.2-28.2000114D109 Y113 N115 L116 V117 G234D109-N111 PolarHBondContact O-N 3.3Å; D109-N111 WeakPolarHBondContact OD1-CB 3.47Å; D109-N111 PolarHBondContact OD1-N 3.41Å; N111-Y113 PolarHBondContact O-N 3.34Å; N111-Y113 VanDerWaalsContact O-N 3.16Å; N111-N115 VanDerWaalsContact CG-OD1 3.28Å; N111-N115 PolarHBondContact ND2-OD1 3.42Å; N111-N115 WeakPolarHBondContact O-CA 3.15Å; N111-N115 PolarHBondContact O-N 2.83Å; N111-N115 VanDerWaalsContact OD1-C 3.29Å; N111-N115 WeakPolarHBondContact OD1-CA 3.4Å; N111-N115 PolarHBondContact OD1-OD1 3.17Å; N111-L116 PolarHBondContact OD1-N 3.1Å; N111-V117 PolarHBondContact ND2-O 3.36Å; N111-V117 VanDerWaalsContact ND2-O 3.17Å; N111-V117 WeakPolarHBondContact OD1-CA 3.44Å; N111-V117 VanDerWaalsContact OD1-CB 3.27Å; N111-V117 WeakPolarHBondContact OD1-CB 3.39Å; N111-V117 PolarHBondContact OD1-N 3.28Å; N111-V117 PolarHBondContact OD1-O 3.31Å; N111-G234 PolarHBondContact ND2-N 2.86Å
112T98.5Very high97.2Very high97 Ų9750.5 Ų50.560%0.59529%0.288SS*.G310 helixtrans-55.1-30.3167.5-53.70000111.3D109 L110 G114D109-T112 WeakPolarHBondContact O-CB 3.49Å; D109-T112 PolarHBondContact O-N 3.18Å; D109-T112 PolarHBondContact O-OG1 3.46Å; L110-T112 PolarHBondContact O-N 2.87Å; T112-G114 PolarHBondContact O-N 2.99Å
113Y98.1Very high97.2Very high23 Ų2351 Ų519%0.0929%0.288CS..THydrogen-bonded Turntrans-9664-175.4-46.9-69.2000111.2T108 L110 N111 R343 E347T108-Y113 PolarHBondContact OG1-OH 2.97Å; L110-Y113 HydrophobicContact CD2-CD2 4.44Å; L110-Y113 HydrophobicContact CD2-CE2 4.41Å; L110-Y113 WeakPolarHBondContact O-CD2 3.48Å; L110-Y113 PolarHBondContact O-N 2.78Å; N111-Y113 PolarHBondContact O-N 3.34Å; N111-Y113 VanDerWaalsContact O-N 3.16Å; Y113-R343 HydrophobicContact CD1-CG 4.27Å; Y113-R343 HydrophobicContact CD2-CB 4.34Å; Y113-R343 HydrophobicContact CD2-CG 4.02Å; Y113-R343 HydrophobicContact CE1-CG 3.88Å; Y113-R343 HydrophobicContact CE2-CB 4.04Å; Y113-R343 HydrophobicContact CE2-CG 3.62Å; Y113-R343 HydrophobicContact CG-CG 4.35Å; Y113-R343 VanDerWaalsContact CZ-CD 3.46Å; Y113-R343 VanDerWaalsContact OH-CD 3.28Å; Y113-R343 WeakPolarHBondContact OH-CD 3.36Å; Y113-R343 PolarHBondContact OH-NE 3.25Å; Y113-E347 HydrophobicContact CD1-CG 3.53Å; Y113-E347 WeakPolarHBondContact CD1-OE1 3.37Å; Y113-E347 HydrophobicContact CE1-CG 4.17Å; Y113-E347 WeakPolarHBondContact CE1-OE1 3.47Å; Y113-E347 HydrophobicContact CG-CG 4.1Å
114G97.7Very high97.4Very high43 Ų4341.5 Ų41.544%0.44325%0.247SC..THydrogen-bonded Turntrans898.8172.800000116.3T112 L116T112-G114 PolarHBondContact O-N 2.99Å; G114-L116 VanDerWaalsContact C-N 3.33Å; G114-L116 PolarHBondContact O-N 2.91Å
115N98.2Very high97.5Very high123 Ų12337.5 Ų37.566%0.65822%0.22SC*.SBendtrans53.844.9179.5-167.739.4000113.9N111N111-N115 VanDerWaalsContact CG-OD1 3.28Å; N111-N115 PolarHBondContact ND2-OD1 3.42Å; N111-N115 WeakPolarHBondContact O-CA 3.15Å; N111-N115 PolarHBondContact O-N 2.83Å; N111-N115 VanDerWaalsContact OD1-C 3.29Å; N111-N115 WeakPolarHBondContact OD1-CA 3.4Å; N111-N115 PolarHBondContact OD1-OD1 3.17Å
116L97.6Very high97.7Very high18 Ų1836.3 Ų36.39%0.09421%0.213CC..  trans-96.8-11.5-172.9-58.3176.9000113.7N111 G114 A282 K283 L346 E349 V350N111-L116 PolarHBondContact OD1-N 3.1Å; G114-L116 VanDerWaalsContact C-N 3.33Å; G114-L116 PolarHBondContact O-N 2.91Å; L116-A282 VanDerWaalsContact O-CA 3.32Å; L116-A282 WeakPolarHBondContact O-CA 3.24Å; L116-K283 PolarHBondContact O-N 3.14Å; L116-L346 HydrophobicContact CB-CD2 4.04Å; L116-L346 HydrophobicContact CD1-CD2 4.07Å; L116-E349 HydrophobicContact CD1-CB 3.95Å; L116-E349 HydrophobicContact CD1-CG 3.65Å; L116-V350 HydrophobicContact CD1-CG2 4.32Å
117V97.8Very high97.9Very high7 Ų731.8 Ų31.84%0.04218%0.182CC..EExtended strand (participates in β ladder)trans-89.5115.6-174.3-179.10000110.9L110 N111 G233 V280 A282 L346L110-V117 HydrophobicContact CB-CG2 3.88Å; N111-V117 PolarHBondContact ND2-O 3.36Å; N111-V117 VanDerWaalsContact ND2-O 3.17Å; N111-V117 WeakPolarHBondContact OD1-CA 3.44Å; N111-V117 VanDerWaalsContact OD1-CB 3.27Å; N111-V117 WeakPolarHBondContact OD1-CB 3.39Å; N111-V117 PolarHBondContact OD1-N 3.28Å; N111-V117 PolarHBondContact OD1-O 3.31Å; V117-G233 WeakPolarHBondContact CG1-O 3.34Å; V117-V280 HydrophobicContact CG1-CB 3.85Å; V117-V280 HydrophobicContact CG1-CG1 3.76Å; V117-V280 HydrophobicContact CG2-CB 4.36Å; V117-V280 HydrophobicContact CG2-CG1 4.31Å; V117-A282 HydrophobicContact CG2-CB 4.5Å; V117-L346 HydrophobicContact CG2-CD1 3.77Å
118V95Very high98Very high64 Ų6430.6 Ų30.639%0.38818%0.176SC..EExtended strand (participates in β ladder)trans-74.8-44.5175.6179.50000110.9G233 H281 I318V118-G233 PolarHBondContact O-N 2.99Å; V118-H281 HydrophobicContact CB-CB 4.27Å; V118-H281 PolarHBondContact N-O 3.14Å; V118-I318 HydrophobicContact CG2-CD1 4.44Å
119S95.7Very high98Very high19 Ų1930.9 Ų30.913%0.13317%0.173CC..EExtended strand (participates in β ladder)trans-157.9153.2-17853.60000111.8Q231 G233 V280 H281S119-Q231 WeakPolarHBondContact CA-O 3.42Å; S119-Q231 WeakPolarHBondContact CB-O 3.35Å; S119-G233 CarbonylContact C-O 3.59Å; S119-V280 CarbonylContact O-C 3.27Å; S119-V280 VanDerWaalsContact O-CA 3.31Å; S119-V280 WeakPolarHBondContact O-CA 3.39Å; S119-H281 PolarHBondContact O-N 2.84Å
120T97.9Very high97.9Very high1 Ų130.9 Ų30.91%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-119.6140.6175.6-56.20000109.8M230 Q231 G233 G234 L236 V239 V280T120-M230 VanDerWaalsContact O-CA 3.28Å; T120-M230 WeakPolarHBondContact O-CA 3.32Å; T120-Q231 PolarHBondContact N-O 2.87Å; T120-Q231 PolarHBondContact O-N 3.12Å; T120-G233 WeakPolarHBondContact CB-O 3.34Å; T120-G233 PolarHBondContact N-O 3.38Å; T120-G233 PolarHBondContact OG1-O 3.01Å; T120-G234 WeakPolarHBondContact OG1-CA 3.23Å; T120-L236 HydrophobicContact CG2-CB 4.14Å; T120-L236 HydrophobicContact CG2-CD1 3.69Å; T120-V239 HydrophobicContact CG2-CG2 4.42Å; T120-V280 HydrophobicContact CG2-CG1 4.16Å
121R97.8Very high97.9Very high50 Ų5032.1 Ų32.119%0.18919%0.194CC..EExtended strand (participates in β ladder)trans-144.5135.9-176.4177.1170.9-179.3-79.53.2110.8I228 S229 M230 A278 S279R121-I228 HydrophobicContact CG-CG2 4.02Å; R121-I228 VanDerWaalsContact NE-CG2 3.27Å; R121-S229 CarbonylContact C-O 3.46Å; R121-S229 WeakPolarHBondContact CA-O 3.44Å; R121-M230 HydrophobicContact CB-CB 3.94Å; R121-M230 HydrophobicContact CG-CB 3.99Å; R121-A278 CarbonylContact O-C 3.55Å; R121-A278 WeakPolarHBondContact O-CA 3.41Å; R121-S279 PolarHBondContact N-O 3.4Å; R121-S279 PolarHBondContact O-N 3.35Å
122V98.4Very high97.9Very high0 Ų030.9 Ų30.90%019%0.189CC..EExtended strand (participates in β ladder)trans-125.3132.6169.7-170.10000108.4S229 L236 V239 L243 L276 R277 A278V122-S229 PolarHBondContact N-O 3.14Å; V122-S229 PolarHBondContact O-N 3.32Å; V122-L236 HydrophobicContact CG2-CD1 3.75Å; V122-V239 HydrophobicContact CB-CG1 4.09Å; V122-V239 HydrophobicContact CG2-CG1 3.71Å; V122-L243 HydrophobicContact CB-CD2 3.75Å; V122-L243 HydrophobicContact CG1-CD2 3.37Å; V122-L276 HydrophobicContact CG1-CD1 4.14Å; V122-L276 HydrophobicContact CG1-CD2 4.26Å; V122-L276 HydrophobicContact CG1-CG 4.02Å; V122-R277 WeakPolarHBondContact CA-O 3.36Å; V122-A278 HydrophobicContact CG1-CB 4.16Å; V122-A278 HydrophobicContact CG2-CB 3.86Å
123R97.9Very high97.9Very high31 Ų3126.5 Ų26.512%0.11716%0.162CC..EExtended strand (participates in β ladder)trans-126.5151.4175.969.1162.3-171.1-170.73.2112.9V227 I228 L276 R277R123-V227 CarbonylContact C-O 3.48Å; R123-V227 WeakPolarHBondContact CA-O 3.38Å; R123-I228 HydrophobicContact CB-CG1 4.08Å; R123-L276 WeakPolarHBondContact O-CA 3.24Å; R123-R277 HydrophobicContact CG-CB 3.83Å; R123-R277 PolarHBondContact N-O 2.8Å; R123-R277 PolarHBondContact O-N 2.88Å
124L98.3Very high97.8Very high1 Ų125.9 Ų25.91%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-128.9153.2168.5-67.4165.1000109.7F99 R226 V227 L243 I247 T274 L276F99-L124 HydrophobicContact CE1-CD1 3.98Å; F99-L124 HydrophobicContact CZ-CD1 3.73Å; L124-R226 CarbonylContact O-C 3.28Å; L124-R226 WeakPolarHBondContact O-CA 3.31Å; L124-V227 PolarHBondContact N-O 3.16Å; L124-V227 PolarHBondContact O-N 3.1Å; L124-L243 HydrophobicContact CD1-CD1 4.49Å; L124-L243 HydrophobicContact CD1-CD2 3.85Å; L124-L243 HydrophobicContact CD1-CG 3.93Å; L124-L243 HydrophobicContact CG-CD2 3.86Å; L124-L243 HydrophobicContact CG-CG 4.42Å; L124-I247 HydrophobicContact CD1-CB 4.28Å; L124-I247 HydrophobicContact CD1-CG1 4.26Å; L124-I247 HydrophobicContact CD1-CG2 4.01Å; L124-T274 WeakPolarHBondContact CD2-O 3.11Å; L124-L276 HydrophobicContact CD2-CB 3.72Å; L124-L276 HydrophobicContact CD2-CD1 4.23Å; L124-L276 HydrophobicContact CD2-CG 4.19Å
125G98.1Very high97.8Very high2 Ų224.1 Ų24.12%0.02114%0.143CC..EExtended strand (participates in β ladder)trans-112.2148.1161.900000111.7I225 T275G125-I225 VanDerWaalsContact CA-O 3.29Å; G125-I225 WeakPolarHBondContact CA-O 3.5Å; G125-T275 PolarHBondContact N-OG1 2.91Å; G125-T275 VanDerWaalsContact O-CG2 3.32Å; G125-T275 WeakPolarHBondContact O-CG2 3.1Å; G125-T275 PolarHBondContact O-OG1 2.83Å
126R98.7Very high97.8Very high2 Ų219.7 Ų19.71%0.00812%0.121CC..EExtended strand (participates in β ladder)trans-141.2150.9168.3-60.8-69.6179.1-102.710.2111.5I225 I247 F256 F264 T274 T275 E331R126-I225 HydrophobicContact CB-CD1 3.91Å; R126-I225 HydrophobicContact CB-CG1 3.69Å; R126-I225 HydrophobicContact CG-CD1 4.24Å; R126-I225 HydrophobicContact CG-CG1 4.38Å; R126-I225 PolarHBondContact N-O 2.96Å; R126-I225 PolarHBondContact O-N 2.69Å; R126-I247 HydrophobicContact CG-CD1 3.99Å; R126-F256 HydrophobicContact CB-CB 4.45Å; R126-F256 HydrophobicContact CB-CD1 3.44Å; R126-F256 VanDerWaalsContact CB-CD1 3.44Å; R126-F256 HydrophobicContact CB-CD2 4.44Å; R126-F256 HydrophobicContact CB-CE1 3.65Å; R126-F256 HydrophobicContact CB-CG 3.88Å; R126-F256 HydrophobicContact CB-CZ 4.23Å; R126-F256 HydrophobicContact CG-CD1 3.97Å; R126-F256 HydrophobicContact CG-CD2 4.06Å; R126-F256 HydrophobicContact CG-CE1 4.08Å; R126-F256 HydrophobicContact CG-CE2 4.17Å; R126-F256 HydrophobicContact CG-CG 3.96Å; R126-F256 HydrophobicContact CG-CZ 4.17Å; R126-F264 VanDerWaalsContact CZ-CE2 3.45Å; R126-T274 PolarHBondContact NH1-O 3.29Å; R126-T275 PolarHBondContact NH1-OG1 3.47Å; R126-E331 IonicContact NH2-OE1 2.65Å
127T98.9Very high97.8Very high1 Ų119.6 Ų19.61%0.00612%0.12CC..  trans-108.8125.8170.9-67.30000109.4L67 F133 F256 A257 I265L67-T127 HydrophobicContact CB-CG2 3.94Å; L67-T127 HydrophobicContact CD2-CG2 3.99Å; T127-F133 HydrophobicContact CG2-CE1 4Å; T127-F133 HydrophobicContact CG2-CZ 3.93Å; T127-F133 WeakPolarHBondContact OG1-CE1 3.23Å; T127-F133 VanDerWaalsContact OG1-CZ 3.28Å; T127-F133 WeakPolarHBondContact OG1-CZ 3.49Å; T127-F256 CarbonylContact O-C 3.2Å; T127-F256 VanDerWaalsContact O-CA 3.29Å; T127-F256 WeakPolarHBondContact O-CA 3.45Å; T127-A257 HydrophobicContact CG2-CB 4.15Å; T127-A257 PolarHBondContact O-N 2.92Å; T127-I265 WeakPolarHBondContact CB-O 3.41Å; T127-I265 PolarHBondContact OG1-O 3.43Å
128V98.8Very high97.9Very high1 Ų122.6 Ų22.61%0.00614%0.138CC..BIsolated β-bridgetrans-79.1128.9173.3-177.60000109.4F131 L145 I149 H224 F256V128-F131 HydrophobicContact CB-CD2 4.37Å; V128-F131 HydrophobicContact CG1-CD2 4.04Å; V128-F131 HydrophobicContact CG1-CE2 4.19Å; V128-L145 HydrophobicContact CB-CD1 3.77Å; V128-L145 HydrophobicContact CG1-CD1 4.21Å; V128-L145 HydrophobicContact CG2-CD1 3.91Å; V128-I149 HydrophobicContact CG2-CD1 4.3Å; V128-I149 HydrophobicContact CG2-CG1 4.18Å; V128-H224 HydrophobicContact CG2-CB 4.45Å; V128-H224 PolarHBondContact N-ND1 2.78Å; V128-F256 HydrophobicContact CG2-CD1 4.31Å; V128-F256 HydrophobicContact CG2-CE1 4.15Å
129E98.4Very high98Very high70 Ų7024 Ų2433%0.32714%0.139SC..THydrogen-bonded Turntrans-59.3146.1178.4-70.3-174.1-170.700112.5F131 K255 A257E129-F131 WeakPolarHBondContact O-CD2 3.48Å; E129-K255 VanDerWaalsContact CD-CE 3.46Å; E129-K255 HydrophobicContact CG-CG 4.29Å; E129-K255 PolarHBondContact N-O 2.92Å; E129-K255 VanDerWaalsContact OE1-CE 3.25Å; E129-K255 WeakPolarHBondContact OE1-CE 3.46Å; E129-K255 IonicContact OE1-NZ 3.46Å; E129-K255 PolarHBondContact OE1-NZ 2.74Å; E129-K255 WeakPolarHBondContact OE2-CD 3.4Å; E129-K255 WeakPolarHBondContact OE2-CE 3.22Å; E129-K255 IonicContact OE2-NZ 2.68Å; E129-K255 PolarHBondContact OE2-NZ 3.43Å; E129-A257 HydrophobicContact CG-CB 4.06Å
130G96.9Very high98.2Very high64 Ų6428.5 Ų28.566%0.6616%0.158SC*.THydrogen-bonded Turntrans88.9-6.117700000115.2
131F98.6Very high98.2Very high25 Ų2530.6 Ų30.611%0.1117%0.171CC..  trans-115142.1178.5-62.8-89.6000111.2V128 E129 L137 T141 E144 L145 K148V128-F131 HydrophobicContact CB-CD2 4.37Å; V128-F131 HydrophobicContact CG1-CD2 4.04Å; V128-F131 HydrophobicContact CG1-CE2 4.19Å; E129-F131 WeakPolarHBondContact O-CD2 3.48Å; F131-L137 HydrophobicContact CB-CD2 4.34Å; F131-L137 HydrophobicContact CD1-CD2 4.49Å; F131-T141 WeakPolarHBondContact CE1-O 3.12Å; F131-E144 HydrophobicContact CE1-CB 4.17Å; F131-L145 HydrophobicContact CB-CD1 4.36Å; F131-L145 HydrophobicContact CB-CD2 3.98Å; F131-L145 HydrophobicContact CD1-CB 3.67Å; F131-L145 HydrophobicContact CD1-CD1 4.36Å; F131-L145 HydrophobicContact CD1-CD2 4.41Å; F131-L145 HydrophobicContact CD1-CG 4.36Å; F131-L145 HydrophobicContact CD2-CD1 3.73Å; F131-L145 HydrophobicContact CE1-CB 3.77Å; F131-L145 HydrophobicContact CE2-CD1 4.04Å; F131-L145 HydrophobicContact CG-CB 4.07Å; F131-L145 HydrophobicContact CG-CD1 3.89Å; F131-L145 HydrophobicContact CG-CD2 4.16Å; F131-L145 HydrophobicContact CG-CG 4.26Å; F131-L145 HydrophobicContact CZ-CB 4.25Å; F131-L145 HydrophobicContact CZ-CD1 4.47Å; F131-K148 HydrophobicContact CE2-CD 4.17Å; F131-K148 HydrophobicContact CZ-CD 4.43Å
132G98Very high98.2Very high7 Ų728.3 Ų28.37%0.07216%0.163CC..  trans-78.9-178.8173.500000112.8T136 L137 H224G132-T136 VanDerWaalsContact CA-OG1 3.27Å; G132-T136 WeakPolarHBondContact CA-OG1 3.4Å; G132-L137 WeakPolarHBondContact O-CD1 3.17Å; G132-L137 WeakPolarHBondContact O-CD2 3.43Å; G132-L137 WeakPolarHBondContact O-CG 3.39Å; G132-H224 PolarHBondContact O-NE2 3.45Å
133F98.6Very high98.2Very high4 Ų430.8 Ų30.82%0.01818%0.175CC..  trans-96.8-174168.3-65.2-55.3000111S64 C65 D66 L67 T127 P135 T136 L137 H224 F267S64-F133 WeakPolarHBondContact O-CD2 3.45Å; S64-F133 VanDerWaalsContact OG-CD2 3.28Å; S64-F133 WeakPolarHBondContact OG-CD2 3.46Å; S64-F133 WeakPolarHBondContact OG-CE2 3.3Å; C65-F133 PolarHBondContact O-N 3.06Å; D66-F133 VanDerWaalsContact C-CD2 3.46Å; L67-F133 HydrophobicContact CB-CE2 4.46Å; T127-F133 HydrophobicContact CG2-CE1 4Å; T127-F133 HydrophobicContact CG2-CZ 3.93Å; T127-F133 WeakPolarHBondContact OG1-CE1 3.23Å; T127-F133 VanDerWaalsContact OG1-CZ 3.28Å; T127-F133 WeakPolarHBondContact OG1-CZ 3.49Å; F133-P135 VanDerWaalsContact C-CD 3.49Å; F133-P135 VanDerWaalsContact C-N 3.29Å; F133-P135 VanDerWaalsContact O-N 3.08Å; F133-T136 PolarHBondContact N-OG1 2.75Å; F133-T136 PolarHBondContact O-N 3.41Å; F133-T136 PolarHBondContact O-OG1 2.97Å; F133-L137 WeakPolarHBondContact O-CG 3.13Å; F133-L137 PolarHBondContact O-N 3.2Å; F133-H224 AromaticContact CD1-CD2 3.8Å; F133-H224 AromaticContact CD1-NE2 3.41Å; F133-H224 WeakPolarHBondContact CD1-NE2 3.26Å; F133-H224 AromaticContact CE1-CD2 3.86Å; F133-H224 AromaticContact CE1-NE2 3.57Å; F133-F267 HydrophobicContact CB-CD2 3.68Å; F133-F267 HydrophobicContact CB-CE2 4Å; F133-F267 HydrophobicContact CD1-CB 4.16Å; F133-F267 HydrophobicContact CD1-CD2 4.19Å; F133-F267 HydrophobicContact CD2-CB 4.48Å; F133-F267 AromaticContact CD2-CD2 3.83Å; F133-F267 HydrophobicContact CD2-CD2 3.83Å; F133-F267 HydrophobicContact CE1-CB 4.09Å; F133-F267 HydrophobicContact CE2-CB 4.44Å; F133-F267 HydrophobicContact CG-CB 4.37Å; F133-F267 AromaticContact CG-CD2 3.66Å; F133-F267 HydrophobicContact CG-CD2 3.66Å; F133-F267 HydrophobicContact CG-CE2 4.46Å; F133-F267 HydrophobicContact CG-CG 4.46Å; F133-F267 HydrophobicContact CZ-CB 4.24Å
134G95.8Very high98.3Very high11 Ų1134.7 Ų34.711%0.11320%0.195CC..THydrogen-bonded Turntrans-38.8-49.8179.300000115.1T136 G196G134-T136 VanDerWaalsContact C-N 3.31Å; G134-T136 PolarHBondContact O-N 2.81Å; G134-G196 WeakPolarHBondContact CA-O 3.17Å
135P98Very high98.3Very high5 Ų534.7 Ų34.73%0.03220%0.195CC..THydrogen-bonded Turntrans-63.7-26.5-179.1-28.738.7000116.8M1 Q48 C65 F133 A195M1-P135 HydrophobicContact CB-CB 4.13Å; M1-P135 PolarHBondContact N-O 3.21Å; M1-P135 HydrophobicContact SD-CB 4.04Å; M1-P135 HydrophobicContact SD-CG 3.99Å; Q48-P135 HydrophobicContact CB-CB 3.93Å; Q48-P135 HydrophobicContact CB-CG 4.36Å; Q48-P135 HydrophobicContact CG-CB 4.11Å; C65-P135 HydrophobicContact CB-CB 4.11Å; C65-P135 HydrophobicContact CB-CG 4.44Å; F133-P135 VanDerWaalsContact C-CD 3.49Å; F133-P135 VanDerWaalsContact C-N 3.29Å; F133-P135 VanDerWaalsContact O-N 3.08Å; P135-A195 VanDerWaalsContact CG-O 3.27Å; P135-A195 WeakPolarHBondContact CG-O 3.32Å
136T98.6Very high98.3Very high30 Ų3035.3 Ų35.318%0.18420%0.197CC..THydrogen-bonded Turntrans-117.3-14.5-170.550.40000114.1G44 C65 D66 G132 F133 G134G44-T136 VanDerWaalsContact CA-CG2 3.48Å; C65-T136 HydrophobicContact CB-CG2 4.31Å; C65-T136 WeakPolarHBondContact O-CG2 3.23Å; C65-T136 PolarHBondContact O-OG1 2.95Å; D66-T136 HydrophobicContact CB-CG2 4.43Å; G132-T136 VanDerWaalsContact CA-OG1 3.27Å; G132-T136 WeakPolarHBondContact CA-OG1 3.4Å; F133-T136 PolarHBondContact N-OG1 2.75Å; F133-T136 PolarHBondContact O-N 3.41Å; F133-T136 PolarHBondContact O-OG1 2.97Å; G134-T136 VanDerWaalsContact C-N 3.31Å; G134-T136 PolarHBondContact O-N 2.81Å
137L98.3Very high98.3Very high17 Ų1739.3 Ų39.39%0.08922%0.218CC..  trans-67.8137.4170.6-75.5166.7000111.4F131 G132 F133 R142F131-L137 HydrophobicContact CB-CD2 4.34Å; F131-L137 HydrophobicContact CD1-CD2 4.49Å; G132-L137 WeakPolarHBondContact O-CD1 3.17Å; G132-L137 WeakPolarHBondContact O-CD2 3.43Å; G132-L137 WeakPolarHBondContact O-CG 3.39Å; F133-L137 WeakPolarHBondContact O-CG 3.13Å; F133-L137 PolarHBondContact O-N 3.2Å; L137-R142 HydrophobicContact CB-CB 4.46Å; L137-R142 HydrophobicContact CD1-CB 4.32Å; L137-R142 HydrophobicContact CD1-CG 4.18Å
138T98.4Very high98.3Very high69 Ų6944 Ų4442%0.42324%0.239SC..  trans-83.6168.3159.9710000109.9E140 T141 R142T138-E140 VanDerWaalsContact C-N 3.29Å; T138-E140 PolarHBondContact O-N 3.38Å; T138-T141 PolarHBondContact N-OG1 3.31Å; T138-T141 PolarHBondContact O-OG1 3.48Å; T138-T141 WeakPolarHBondContact OG1-CG2 3.38Å; T138-T141 PolarHBondContact OG1-N 3.35Å; T138-T141 VanDerWaalsContact OG1-N 3.11Å; T138-T141 PolarHBondContact OG1-OG1 3.45Å; T138-R142 WeakPolarHBondContact O-CB 3.46Å; T138-R142 PolarHBondContact O-N 3.02Å; T138-R142 VanDerWaalsContact O-N 3.13Å
139K98.4Very high98.3Very high94 Ų9444 Ų4441%0.40924%0.239SC..Hα-helixtrans-58.1-44.7174.7-174.7176.6-179.8-179.90111.2I143 D200 T203K139-I143 HydrophobicContact CG-CD1 4.29Å; K139-I143 WeakPolarHBondContact O-CG1 3.47Å; K139-I143 PolarHBondContact O-N 3.33Å; K139-D200 HydrophobicContact CB-CB 4.49Å; K139-D200 HydrophobicContact CG-CB 4.26Å; K139-T203 HydrophobicContact CG-CG2 4.29Å
140E98.5Very high98.3Very high114 Ų11441.3 Ų41.353%0.53323%0.227SC..Hα-helixtrans-69.4-47.9-176.6-6367.5-144.800111.5T138 R142 I143 E144T138-E140 VanDerWaalsContact C-N 3.29Å; T138-E140 PolarHBondContact O-N 3.38Å; E140-R142 PolarHBondContact O-N 3.33Å; E140-I143 CarbonylContact O-C 3.52Å; E140-I143 WeakPolarHBondContact O-CA 3.39Å; E140-I143 WeakPolarHBondContact O-CB 3.48Å; E140-I143 PolarHBondContact O-N 2.98Å; E140-E144 WeakPolarHBondContact O-CG 3.28Å; E140-E144 PolarHBondContact O-N 3.4Å
141T98.4Very high98.4Very high44 Ų4442.1 Ų42.127%0.2722%0.22SC..Hα-helixtrans-65.4-28.7179.351.20000112.5F131 T138 L145F131-T141 WeakPolarHBondContact CE1-O 3.12Å; T138-T141 PolarHBondContact N-OG1 3.31Å; T138-T141 PolarHBondContact O-OG1 3.48Å; T138-T141 WeakPolarHBondContact OG1-CG2 3.38Å; T138-T141 PolarHBondContact OG1-N 3.35Å; T138-T141 VanDerWaalsContact OG1-N 3.11Å; T138-T141 PolarHBondContact OG1-OG1 3.45Å; T141-L145 WeakPolarHBondContact O-CB 3.29Å; T141-L145 PolarHBondContact O-N 3.13Å
142R98.7Very high98.3Very high3 Ų341.2 Ų41.21%0.01122%0.217CC..Hα-helixtrans-68-39.3170.7-167.2-178.1-65.599.1-0.8112.1L137 T138 E140 L145 E146 D200 N220L137-R142 HydrophobicContact CB-CB 4.46Å; L137-R142 HydrophobicContact CD1-CB 4.32Å; L137-R142 HydrophobicContact CD1-CG 4.18Å; T138-R142 WeakPolarHBondContact O-CB 3.46Å; T138-R142 PolarHBondContact O-N 3.02Å; T138-R142 VanDerWaalsContact O-N 3.13Å; E140-R142 PolarHBondContact O-N 3.33Å; R142-L145 PolarHBondContact O-N 2.84Å; R142-E146 WeakPolarHBondContact O-CB 3.32Å; R142-E146 PolarHBondContact O-N 2.95Å; R142-D200 IonicContact CZ-OD2 2.68Å; R142-D200 IonicContact NH1-OD2 2.81Å; R142-D200 PolarHBondContact NH1-OD2 2.97Å; R142-D200 IonicContact NH2-OD2 3.84Å; R142-N220 HydrophobicContact CG-CB 4.37Å; R142-N220 PolarHBondContact O-ND2 3.17Å
143I98.7Very high98.4Very high52 Ų5241 Ų4127%0.26721%0.214SC..Hα-helixtrans-67.8-41.3174.4-64.7161.9000110.6K139 E140 L145 E146 N147 T203K139-I143 HydrophobicContact CG-CD1 4.29Å; K139-I143 WeakPolarHBondContact O-CG1 3.47Å; K139-I143 PolarHBondContact O-N 3.33Å; E140-I143 CarbonylContact O-C 3.52Å; E140-I143 WeakPolarHBondContact O-CA 3.39Å; E140-I143 WeakPolarHBondContact O-CB 3.48Å; E140-I143 PolarHBondContact O-N 2.98Å; I143-L145 VanDerWaalsContact C-N 3.32Å; I143-L145 PolarHBondContact O-N 3.4Å; I143-E146 WeakPolarHBondContact O-CB 3.37Å; I143-E146 PolarHBondContact O-N 2.73Å; I143-N147 WeakPolarHBondContact O-CB 3.2Å; I143-N147 VanDerWaalsContact O-CG 3.26Å; I143-N147 PolarHBondContact O-N 3.4Å; I143-N147 PolarHBondContact O-ND2 2.55Å; I143-T203 HydrophobicContact CD1-CG2 3.54Å; I143-T203 HydrophobicContact CG1-CG2 3.55Å
144E98.6Very high98.3Very high113 Ų11346.1 Ų46.153%0.52824%0.238SC..Hα-helixtrans-60.4-43.8175.2-72173.9-171.500111.6F131 E140 N147 K148F131-E144 HydrophobicContact CE1-CB 4.17Å; E140-E144 WeakPolarHBondContact O-CG 3.28Å; E140-E144 PolarHBondContact O-N 3.4Å; E144-N147 PolarHBondContact O-N 3.15Å; E144-K148 VanDerWaalsContact O-CB 3.32Å; E144-K148 WeakPolarHBondContact O-CB 3.49Å; E144-K148 PolarHBondContact O-N 2.97Å
145L98.7Very high98.3Very high0 Ų051.1 Ų51.10%026%0.262CS..Hα-helixtrans-61.4-45.9173.8177.957.7000111.7V128 F131 T141 R142 I143 K148 I149 N220 H224V128-L145 HydrophobicContact CB-CD1 3.77Å; V128-L145 HydrophobicContact CG1-CD1 4.21Å; V128-L145 HydrophobicContact CG2-CD1 3.91Å; F131-L145 HydrophobicContact CB-CD1 4.36Å; F131-L145 HydrophobicContact CB-CD2 3.98Å; F131-L145 HydrophobicContact CD1-CB 3.67Å; F131-L145 HydrophobicContact CD1-CD1 4.36Å; F131-L145 HydrophobicContact CD1-CD2 4.41Å; F131-L145 HydrophobicContact CD1-CG 4.36Å; F131-L145 HydrophobicContact CD2-CD1 3.73Å; F131-L145 HydrophobicContact CE1-CB 3.77Å; F131-L145 HydrophobicContact CE2-CD1 4.04Å; F131-L145 HydrophobicContact CG-CB 4.07Å; F131-L145 HydrophobicContact CG-CD1 3.89Å; F131-L145 HydrophobicContact CG-CD2 4.16Å; F131-L145 HydrophobicContact CG-CG 4.26Å; F131-L145 HydrophobicContact CZ-CB 4.25Å; F131-L145 HydrophobicContact CZ-CD1 4.47Å; T141-L145 WeakPolarHBondContact O-CB 3.29Å; T141-L145 PolarHBondContact O-N 3.13Å; R142-L145 PolarHBondContact O-N 2.84Å; I143-L145 VanDerWaalsContact C-N 3.32Å; I143-L145 PolarHBondContact O-N 3.4Å; L145-K148 PolarHBondContact O-N 3.45Å; L145-I149 HydrophobicContact CD1-CD1 3.57Å; L145-I149 HydrophobicContact CD1-CG1 4.08Å; L145-I149 HydrophobicContact CG-CD1 3.76Å; L145-I149 WeakPolarHBondContact O-CD1 3.36Å; L145-I149 VanDerWaalsContact O-CG1 3.3Å; L145-I149 WeakPolarHBondContact O-CG1 3.46Å; L145-I149 PolarHBondContact O-N 3.32Å; L145-N220 WeakPolarHBondContact CD2-OD1 3.31Å; L145-H224 HydrophobicContact CD2-CB 4.09Å
146E98.7Very high98.2Very high15 Ų1551.5 Ų51.57%0.0726%0.264CS..Hα-helixtrans-55-53.5175.3-178.4-170-170.400111.1R142 I143 K148 I149 S150 Y164 G204 I219R142-E146 WeakPolarHBondContact O-CB 3.32Å; R142-E146 PolarHBondContact O-N 2.95Å; I143-E146 WeakPolarHBondContact O-CB 3.37Å; I143-E146 PolarHBondContact O-N 2.73Å; E146-K148 VanDerWaalsContact C-N 3.31Å; E146-K148 PolarHBondContact O-N 3.39Å; E146-I149 PolarHBondContact O-N 2.97Å; E146-S150 WeakPolarHBondContact O-CB 3.29Å; E146-S150 PolarHBondContact O-N 3.48Å; E146-S150 PolarHBondContact O-OG 3.04Å; E146-S150 VanDerWaalsContact O-OG 3.14Å; E146-Y164 VanDerWaalsContact CD-OH 3.27Å; E146-Y164 HydrophobicContact CG-CE1 4.42Å; E146-Y164 WeakPolarHBondContact CG-OH 3.26Å; E146-Y164 PolarHBondContact OE1-OH 3.05Å; E146-G204 WeakPolarHBondContact OE2-CA 3.48Å; E146-G204 PolarHBondContact OE2-N 2.75Å; E146-I219 HydrophobicContact CB-CG2 4.34Å; E146-I219 HydrophobicContact CG-CG2 4.25Å
147N98.6Very high97.7Very high86 Ų8653.2 Ų53.246%0.4628%0.277SS..Hα-helixtrans-61-40.4-179.1-71.5-21000112I143 E144 S150 T151I143-N147 WeakPolarHBondContact O-CB 3.2Å; I143-N147 VanDerWaalsContact O-CG 3.26Å; I143-N147 PolarHBondContact O-N 3.4Å; I143-N147 PolarHBondContact O-ND2 2.55Å; E144-N147 PolarHBondContact O-N 3.15Å; N147-S150 WeakPolarHBondContact CA-OG 3.33Å; N147-S150 PolarHBondContact O-OG 2.92Å; N147-T151 VanDerWaalsContact O-CB 3.26Å; N147-T151 WeakPolarHBondContact O-CB 3.32Å; N147-T151 PolarHBondContact O-N 3.18Å; N147-T151 PolarHBondContact O-OG1 3.23Å
148K98.6Very high97.5Very high101 Ų10155.4 Ų55.444%0.43930%0.304SS..Hα-helixtrans-63.4-44.3177.3-173.4171.3-174.5167.50111.6F131 E144 L145 E146 A152 L254F131-K148 HydrophobicContact CE2-CD 4.17Å; F131-K148 HydrophobicContact CZ-CD 4.43Å; E144-K148 VanDerWaalsContact O-CB 3.32Å; E144-K148 WeakPolarHBondContact O-CB 3.49Å; E144-K148 PolarHBondContact O-N 2.97Å; L145-K148 PolarHBondContact O-N 3.45Å; E146-K148 VanDerWaalsContact C-N 3.31Å; E146-K148 PolarHBondContact O-N 3.39Å; K148-A152 PolarHBondContact O-N 3.45Å; K148-L254 HydrophobicContact CD-CD2 4.46Å; K148-L254 HydrophobicContact CG-CD2 3.88Å
149I98.7Very high97.4Very high1 Ų156.2 Ų56.21%0.00530%0.303CS..Hα-helixtrans-70.2-48.4179.1-66.7161.5000110.6V128 L145 E146 T151 A152 L153 I219 H224 I225 L254V128-I149 HydrophobicContact CG2-CD1 4.3Å; V128-I149 HydrophobicContact CG2-CG1 4.18Å; L145-I149 HydrophobicContact CD1-CD1 3.57Å; L145-I149 HydrophobicContact CD1-CG1 4.08Å; L145-I149 HydrophobicContact CG-CD1 3.76Å; L145-I149 WeakPolarHBondContact O-CD1 3.36Å; L145-I149 VanDerWaalsContact O-CG1 3.3Å; L145-I149 WeakPolarHBondContact O-CG1 3.46Å; L145-I149 PolarHBondContact O-N 3.32Å; E146-I149 PolarHBondContact O-N 2.97Å; I149-T151 VanDerWaalsContact C-N 3.29Å; I149-T151 PolarHBondContact O-N 3.08Å; I149-A152 WeakPolarHBondContact O-CB 3.06Å; I149-A152 PolarHBondContact O-N 3.26Å; I149-A152 VanDerWaalsContact O-N 3.09Å; I149-L153 HydrophobicContact CG2-CD1 3.87Å; I149-L153 HydrophobicContact CG2-CG 4.31Å; I149-L153 WeakPolarHBondContact O-CG 3.5Å; I149-L153 PolarHBondContact O-N 3.33Å; I149-I219 HydrophobicContact CB-CD1 4Å; I149-I219 HydrophobicContact CD1-CG2 4.02Å; I149-I219 HydrophobicContact CG2-CD1 3.5Å; I149-I219 HydrophobicContact CG2-CG1 3.86Å; I149-H224 HydrophobicContact CD1-CB 4.26Å; I149-I225 HydrophobicContact CB-CG2 4.35Å; I149-I225 HydrophobicContact CD1-CG2 3.67Å; I149-I225 HydrophobicContact CG1-CG2 4.02Å; I149-I225 HydrophobicContact CG2-CG2 3.39Å; I149-L254 HydrophobicContact CG1-CD1 4.31Å
150S98.2Very high97.4Very high12 Ų1252.3 Ų52.38%0.08429%0.285CS..Hα-helixtrans-62.2-38.4-178.366.80000111.3E146 N147 A152 L153 H154E146-S150 WeakPolarHBondContact O-CB 3.29Å; E146-S150 PolarHBondContact O-N 3.48Å; E146-S150 PolarHBondContact O-OG 3.04Å; E146-S150 VanDerWaalsContact O-OG 3.14Å; N147-S150 WeakPolarHBondContact CA-OG 3.33Å; N147-S150 PolarHBondContact O-OG 2.92Å; S150-A152 PolarHBondContact O-N 2.77Å; S150-L153 PolarHBondContact O-N 2.88Å; S150-H154 PolarHBondContact O-N 3.44Å; S150-H154 PolarHBondContact O-ND1 3.27Å
151T98.4Very high97.3Very high82 Ų8252 Ų5250%0.50328%0.284SS..Hα-helixtrans-60.5-44.3172.7-59.50000111.7N147 I149 L153 H154 N155N147-T151 VanDerWaalsContact O-CB 3.26Å; N147-T151 WeakPolarHBondContact O-CB 3.32Å; N147-T151 PolarHBondContact O-N 3.18Å; N147-T151 PolarHBondContact O-OG1 3.23Å; I149-T151 VanDerWaalsContact C-N 3.29Å; I149-T151 PolarHBondContact O-N 3.08Å; T151-L153 VanDerWaalsContact C-N 3.3Å; T151-L153 PolarHBondContact O-N 3.26Å; T151-H154 PolarHBondContact O-N 3Å; T151-N155 PolarHBondContact O-N 2.93Å; T151-N155 PolarHBondContact O-ND2 3.02Å
152A98.3Very high97.2Very high6 Ų650.9 Ų50.95%0.0528%0.281CS..Hα-helixtrans-63.4-36.3176.500000112.3K148 I149 S150 N155 L250 L254K148-A152 PolarHBondContact O-N 3.45Å; I149-A152 WeakPolarHBondContact O-CB 3.06Å; I149-A152 PolarHBondContact O-N 3.26Å; I149-A152 VanDerWaalsContact O-N 3.09Å; S150-A152 PolarHBondContact O-N 2.77Å; A152-N155 PolarHBondContact O-N 3.38Å; A152-L250 HydrophobicContact CB-CD2 4.03Å; A152-L254 HydrophobicContact CB-CD1 3.96Å; A152-L254 HydrophobicContact CB-CD2 4.1Å; A152-L254 HydrophobicContact CB-CG 3.86Å
153L98.3Very high97.1Very high2 Ų254.1 Ų54.11%0.0130%0.301CS..Hα-helixtrans-68-39.8176.6-67.5168.3000112.8I149 S150 T151 N155 L156 F208 V217 I219 L250I149-L153 HydrophobicContact CG2-CD1 3.87Å; I149-L153 HydrophobicContact CG2-CG 4.31Å; I149-L153 WeakPolarHBondContact O-CG 3.5Å; I149-L153 PolarHBondContact O-N 3.33Å; S150-L153 PolarHBondContact O-N 2.88Å; T151-L153 VanDerWaalsContact C-N 3.3Å; T151-L153 PolarHBondContact O-N 3.26Å; L153-N155 PolarHBondContact O-N 2.87Å; L153-L156 HydrophobicContact CD2-CD1 3.87Å; L153-L156 WeakPolarHBondContact O-CB 3.43Å; L153-L156 PolarHBondContact O-N 3.33Å; L153-L156 VanDerWaalsContact O-N 3.14Å; L153-F208 HydrophobicContact CB-CD2 4.05Å; L153-F208 HydrophobicContact CB-CE2 4.28Å; L153-F208 HydrophobicContact CB-CG 4.26Å; L153-F208 HydrophobicContact CD1-CB 3.81Å; L153-F208 HydrophobicContact CD1-CG 4.17Å; L153-V217 HydrophobicContact CD1-CB 4.03Å; L153-V217 HydrophobicContact CD1-CG1 4.03Å; L153-V217 HydrophobicContact CD1-CG2 4.45Å; L153-V217 HydrophobicContact CD2-CB 4.13Å; L153-V217 HydrophobicContact CD2-CG1 4.29Å; L153-V217 HydrophobicContact CD2-CG2 3.65Å; L153-I219 HydrophobicContact CD1-CD1 3.97Å; L153-I219 HydrophobicContact CD1-CG1 4.49Å; L153-L250 HydrophobicContact CD2-CD1 4.09Å; L153-L250 HydrophobicContact CD2-CD2 3.98Å; L153-L250 HydrophobicContact CG-CD2 4.49Å
154H97.3Very high97.1Very high112 Ų11253.1 Ų53.152%0.51929%0.294SS..Hα-helixtrans-64.9-24176-76.179.3000112.8S150 T151 L156S150-H154 PolarHBondContact O-N 3.44Å; S150-H154 PolarHBondContact O-ND1 3.27Å; T151-H154 PolarHBondContact O-N 3Å; H154-L156 VanDerWaalsContact C-N 3.34Å
155N96.9Very high96.9Very high115 Ų11551.7 Ų51.762%0.61529%0.285SS*.THydrogen-bonded Turntrans-88.81.5178-66.6-25.3000113.4T151 A152 L153T151-N155 PolarHBondContact O-N 2.93Å; T151-N155 PolarHBondContact O-ND2 3.02Å; A152-N155 PolarHBondContact O-N 3.38Å; L153-N155 PolarHBondContact O-N 2.87Å
156L95.3Very high96.9Very high13 Ų1354.1 Ų54.17%0.06830%0.301CS..  trans-68.1143.8173-67.7176.6000110.8L153 H154 Y160 F215 E249 L250L153-L156 HydrophobicContact CD2-CD1 3.87Å; L153-L156 WeakPolarHBondContact O-CB 3.43Å; L153-L156 PolarHBondContact O-N 3.33Å; L153-L156 VanDerWaalsContact O-N 3.14Å; H154-L156 VanDerWaalsContact C-N 3.34Å; L156-Y160 HydrophobicContact CB-CD2 4.28Å; L156-Y160 HydrophobicContact CB-CG 4.24Å; L156-Y160 HydrophobicContact CD1-CG 4.32Å; L156-F215 HydrophobicContact CD1-CE1 4.16Å; L156-F215 HydrophobicContact CD1-CZ 4.41Å; L156-E249 HydrophobicContact CD2-CB 3.79Å; L156-E249 HydrophobicContact CD2-CG 3.71Å; L156-E249 WeakPolarHBondContact CD2-OE2 3.5Å; L156-L250 HydrophobicContact CD1-CD2 4.17Å; L156-L250 HydrophobicContact CD1-CG 4.35Å; L156-L250 HydrophobicContact CD2-CD2 3.87Å; L156-L250 HydrophobicContact CD2-CG 3.94Å; L156-L250 HydrophobicContact CG-CD2 4.14Å
157S88.5Confident96.8Very high66 Ų6654.3 Ų54.346%0.46230%0.302SS..  trans-87153.4-17253.60000113.5E159 Y160 E249S157-E159 PolarHBondContact O-N 3.23Å; S157-Y160 VanDerWaalsContact O-CD2 3.26Å; S157-Y160 WeakPolarHBondContact O-CD2 3.36Å; S157-Y160 PolarHBondContact O-N 3.44Å; S157-Y160 VanDerWaalsContact O-N 3.14Å; S157-E249 WeakPolarHBondContact CB-OE1 3.34Å; S157-E249 PolarHBondContact N-OE1 3.29Å; S157-E249 PolarHBondContact N-OE2 2.79Å; S157-E249 PolarHBondContact OG-OE1 2.95Å; S157-E249 PolarHBondContact OG-OE2 3.09Å
158G92.4Very high96.7Very high63 Ų6353.6 Ų53.665%0.64930%0.301SS*.G310 helixtrans51.5-107.416100000116.1Y160 E161G158-Y160 PolarHBondContact O-N 3.36Å; G158-Y160 VanDerWaalsContact O-N 3.09Å; G158-E161 WeakPolarHBondContact O-CB 3.23Å; G158-E161 PolarHBondContact O-N 3.44Å; G158-E161 VanDerWaalsContact O-N 3.1Å
159E96.7Very high96.5Very high86 Ų8652.6 Ų52.640%0.40232%0.32SS..G310 helixtrans-57-23.3-175.9-175.3177.7176.500113.3S157 N210 Q212 R242S157-E159 PolarHBondContact O-N 3.23Å; E159-N210 PolarHBondContact O-ND2 2.85Å; E159-Q212 PolarHBondContact O-OE1 2.87Å; E159-R242 WeakPolarHBondContact OE1-CD 3.49Å; E159-R242 IonicContact OE1-CZ 3.47Å; E159-R242 IonicContact OE1-NE 3.59Å; E159-R242 PolarHBondContact OE1-NE 2.81Å; E159-R242 IonicContact OE1-NH2 2.76Å
160Y98Very high96.3Very high12 Ų1254.3 Ų54.35%0.04733%0.328CS..G310 helixtrans-92-3.2-177.2-53.4-62.3000113.9L156 S157 G158 G162 F208 F215 R242 D245 A246L156-Y160 HydrophobicContact CB-CD2 4.28Å; L156-Y160 HydrophobicContact CB-CG 4.24Å; L156-Y160 HydrophobicContact CD1-CG 4.32Å; S157-Y160 VanDerWaalsContact O-CD2 3.26Å; S157-Y160 WeakPolarHBondContact O-CD2 3.36Å; S157-Y160 PolarHBondContact O-N 3.44Å; S157-Y160 VanDerWaalsContact O-N 3.14Å; G158-Y160 PolarHBondContact O-N 3.36Å; G158-Y160 VanDerWaalsContact O-N 3.09Å; Y160-G162 PolarHBondContact O-N 2.95Å; Y160-F208 VanDerWaalsContact O-CE1 3.28Å; Y160-F208 WeakPolarHBondContact O-CE1 3.16Å; Y160-F208 WeakPolarHBondContact O-CZ 3.29Å; Y160-F215 HydrophobicContact CD1-CB 4.44Å; Y160-F215 AromaticContact CD1-CD1 3.92Å; Y160-F215 HydrophobicContact CD1-CD1 3.92Å; Y160-F215 HydrophobicContact CD1-CD2 4.15Å; Y160-F215 HydrophobicContact CD1-CE1 4.14Å; Y160-F215 HydrophobicContact CD1-CE2 4.36Å; Y160-F215 AromaticContact CD1-CG 3.92Å; Y160-F215 HydrophobicContact CD1-CG 3.92Å; Y160-F215 HydrophobicContact CD1-CZ 4.35Å; Y160-F215 HydrophobicContact CE1-CD2 4.13Å; Y160-F215 HydrophobicContact CE1-CE2 4.33Å; Y160-F215 HydrophobicContact CE1-CG 4.29Å; Y160-R242 HydrophobicContact CE1-CG 3.68Å; Y160-R242 WeakPolarHBondContact CE1-O 3.2Å; Y160-R242 PolarHBondContact OH-O 2.83Å; Y160-D245 VanDerWaalsContact OH-CB 3.24Å; Y160-D245 WeakPolarHBondContact OH-CB 3.43Å; Y160-A246 HydrophobicContact CD1-CB 4.08Å; Y160-A246 HydrophobicContact CE1-CB 3.58Å; Y160-A246 HydrophobicContact CE2-CB 4.21Å; Y160-A246 PolarHBondContact OH-N 2.8Å
161E97.7Very high96Very high108 Ų10856 Ų5651%0.50534%0.34SS..  trans-55130.6177.2-164.7-166.5160.500110.1G158 N210 K211G158-E161 WeakPolarHBondContact O-CB 3.23Å; G158-E161 PolarHBondContact O-N 3.44Å; G158-E161 VanDerWaalsContact O-N 3.1Å; E161-N210 CarbonylContact O-C 3.59Å; E161-N210 WeakPolarHBondContact O-CA 3.31Å; E161-K211 VanDerWaalsContact CD-CE 3.42Å; E161-K211 WeakPolarHBondContact O-CG 3.47Å; E161-K211 PolarHBondContact O-N 3.25Å; E161-K211 VanDerWaalsContact OE1-CE 3.29Å; E161-K211 WeakPolarHBondContact OE1-CE 3.46Å; E161-K211 IonicContact OE1-NZ 3.03Å; E161-K211 PolarHBondContact OE1-NZ 2.71Å; E161-K211 WeakPolarHBondContact OE2-CE 3.48Å; E161-K211 IonicContact OE2-NZ 3.12Å; E161-K211 PolarHBondContact OE2-NZ 2.68Å
162G96.3Very high95.6Very high21 Ų2157 Ų5722%0.21634%0.339CS..EExtended strand (participates in β ladder)trans-168.1-172.6-166.700000113.8Y160 I209Y160-G162 PolarHBondContact O-N 2.95Å; G162-I209 CarbonylContact C-O 3.5Å; G162-I209 WeakPolarHBondContact CA-O 3.38Å
163T96.1Very high95.3Very high70 Ų7064.2 Ų64.243%0.42937%0.372SS..EExtended strand (participates in β ladder)trans-119.3132.6-179-54.40000109.4Y165 F208 I209T163-Y165 HydrophobicContact CG2-CD1 4.37Å; T163-Y165 HydrophobicContact CG2-CD2 4.15Å; T163-Y165 HydrophobicContact CG2-CE1 3.91Å; T163-Y165 HydrophobicContact CG2-CE2 3.67Å; T163-Y165 HydrophobicContact CG2-CG 4.47Å; T163-F208 WeakPolarHBondContact O-CA 3.46Å; T163-I209 PolarHBondContact N-O 2.62Å; T163-I209 PolarHBondContact O-N 3.47Å
164Y97.9Very high95Very high31 Ų3167 Ų6712%0.12239%0.387CS..EExtended strand (participates in β ladder)trans-88.9125.4166.9-177-118.2000110.2E146 P166 G206 F208 I219E146-Y164 VanDerWaalsContact CD-OH 3.27Å; E146-Y164 HydrophobicContact CG-CE1 4.42Å; E146-Y164 WeakPolarHBondContact CG-OH 3.26Å; E146-Y164 PolarHBondContact OE1-OH 3.05Å; Y164-P166 HydrophobicContact CE1-CB 4.03Å; Y164-G206 VanDerWaalsContact OH-CA 3.23Å; Y164-G206 WeakPolarHBondContact OH-CA 3.5Å; Y164-G206 PolarHBondContact OH-N 3.07Å; Y164-F208 HydrophobicContact CD2-CB 4.18Å; Y164-I219 HydrophobicContact CD2-CD1 4.2Å; Y164-I219 HydrophobicContact CE2-CD1 3.39Å; Y164-I219 HydrophobicContact CE2-CG1 4.11Å
165Y96.4Very high94.5Very high83 Ų8366.6 Ų66.633%0.32538%0.381SS..EExtended strand (participates in β ladder)trans-110.799.8174.7-56.8-94.2000108.8T163 G206 I207 I209T163-Y165 HydrophobicContact CG2-CD1 4.37Å; T163-Y165 HydrophobicContact CG2-CD2 4.15Å; T163-Y165 HydrophobicContact CG2-CE1 3.91Å; T163-Y165 HydrophobicContact CG2-CE2 3.67Å; T163-Y165 HydrophobicContact CG2-CG 4.47Å; Y165-G206 VanDerWaalsContact O-CA 3.28Å; Y165-G206 WeakPolarHBondContact O-CA 3.42Å; Y165-I207 PolarHBondContact N-O 3.43Å; Y165-I207 PolarHBondContact O-N 2.83Å; Y165-I209 HydrophobicContact CD2-CD1 4.42Å; Y165-I209 HydrophobicContact CE2-CD1 4.33Å
166P97.4Very high94Very high52 Ų5265 Ų6534%0.33837%0.371SS..EExtended strand (participates in β ladder)trans-62.7141.1170.527.9-33.4000109Y164 T168Y164-P166 HydrophobicContact CE1-CB 4.03Å; P166-T168 PolarHBondContact O-N 2.93Å
167L96.2Very high93.8Very high19 Ų1969.5 Ų69.510%0.09939%0.39CS..SBendtrans-68.3-28.2174.2-89.465.7000111G169 M170 L184 F185 W201 P202 R205 G206L167-G169 PolarHBondContact O-N 3.23Å; L167-M170 HydrophobicContact CD1-CE 4.34Å; L167-M170 PolarHBondContact O-N 2.89Å; L167-L184 HydrophobicContact CD1-CD1 4.1Å; L167-F185 HydrophobicContact CD1-CE1 4.42Å; L167-F185 HydrophobicContact CD1-CZ 4Å; L167-F185 HydrophobicContact CD2-CE2 3.9Å; L167-F185 HydrophobicContact CD2-CZ 4.07Å; L167-W201 HydrophobicContact CD2-CH2 3.43Å; L167-W201 VanDerWaalsContact CD2-CH2 3.43Å; L167-W201 HydrophobicContact CD2-CZ2 3.39Å; L167-W201 HydrophobicContact CD2-CZ3 4.25Å; L167-P202 HydrophobicContact CB-CB 3.84Å; L167-P202 HydrophobicContact CD2-CB 4.46Å; L167-R205 HydrophobicContact CD2-CB 4.27Å; L167-R205 PolarHBondContact N-O 3.19Å; L167-G206 VanDerWaalsContact CD1-CA 3.4Å
168T96.2Very high93.8Very high70 Ų7067.1 Ų67.143%0.42937%0.372SS..THydrogen-bonded Turntrans-70.1114.9174.2-59.50000109.4P166 M170 P202 T203P166-T168 PolarHBondContact O-N 2.93Å; T168-M170 VanDerWaalsContact C-N 3.35Å; T168-P202 PolarHBondContact OG1-O 2.9Å; T168-T203 WeakPolarHBondContact OG1-CA 3.28Å
169G94.6Very high93.3Very high81 Ų8165 Ų6584%0.83535%0.347SS*.THydrogen-bonded Turntrans82.95.6-177.900000114.8L167 S171L167-G169 PolarHBondContact O-N 3.23Å; G169-S171 PolarHBondContact O-N 2.68Å
170M95.1Very high92.5Very high36 Ų3666 Ų6618%0.17736%0.355CS..  trans-62132.2171.6-175.2178-76.200110L167 T168 D174 R175 L178 L184 I207L167-M170 HydrophobicContact CD1-CE 4.34Å; L167-M170 PolarHBondContact O-N 2.89Å; T168-M170 VanDerWaalsContact C-N 3.35Å; M170-D174 HydrophobicContact CG-CB 4.05Å; M170-R175 HydrophobicContact CG-CB 4.39Å; M170-R175 HydrophobicContact SD-CB 4.03Å; M170-R175 HydrophobicContact SD-CG 4.35Å; M170-L178 HydrophobicContact CE-CD1 3.96Å; M170-L178 HydrophobicContact SD-CD1 4.25Å; M170-L184 HydrophobicContact CE-CD1 4.24Å; M170-L184 HydrophobicContact SD-CD1 4.47Å; M170-L184 HydrophobicContact SD-CD2 3.99Å; M170-I207 HydrophobicContact CE-CG2 4.14Å
171S93.2Very high91.8Very high49 Ų4968.5 Ų68.534%0.34337%0.369SS..  trans-64.8148.8175.778.30000110.5G169 E173 D174 R175G169-S171 PolarHBondContact O-N 2.68Å; S171-E173 PolarHBondContact O-N 3.16Å; S171-D174 PolarHBondContact O-N 2.86Å; S171-D174 WeakPolarHBondContact OG-CB 3.22Å; S171-D174 PolarHBondContact OG-N 3.46Å; S171-D174 PolarHBondContact OG-OD2 3.48Å; S171-R175 WeakPolarHBondContact O-CB 3.02Å; S171-R175 PolarHBondContact O-N 3.04Å
172E89.2Confident91Very high101 Ų10170.4 Ų70.447%0.47238%0.378SS..Hα-helixtrans-62.8-31.6177.1-17561.1-17100111.8R175 I176E172-R175 PolarHBondContact O-N 3.35Å; E172-R175 IonicContact OE1-CZ 2.71Å; E172-R175 IonicContact OE1-NE 3.98Å; E172-R175 PolarHBondContact OE1-NE 2.91Å; E172-R175 IonicContact OE1-NH2 3.76Å; E172-R175 PolarHBondContact OE1-NH2 3.45Å; E172-R175 IonicContact OE2-CZ 2.73Å; E172-R175 IonicContact OE2-NE 3.86Å; E172-R175 PolarHBondContact OE2-NE 3.05Å; E172-R175 IonicContact OE2-NH2 2.72Å; E172-R175 PolarHBondContact OE2-NH2 3.2Å; E172-I176 HydrophobicContact CG-CD1 3.96Å; E172-I176 HydrophobicContact CG-CG1 4.48Å; E172-I176 WeakPolarHBondContact O-CB 3.47Å; E172-I176 VanDerWaalsContact O-CG1 3.26Å; E172-I176 WeakPolarHBondContact O-CG1 3.45Å; E172-I176 PolarHBondContact O-N 3.08Å
173E91.9Very high90.6Very high158 Ų15870.3 Ų70.374%0.73837%0.371SS*.Hα-helixtrans-63.5-50175-173.1179.6172.400111.7S171 R175 I176 K177S171-E173 PolarHBondContact O-N 3.16Å; E173-R175 VanDerWaalsContact C-N 3.3Å; E173-R175 PolarHBondContact O-N 3.4Å; E173-I176 PolarHBondContact O-N 3.14Å; E173-K177 VanDerWaalsContact O-CB 3.32Å; E173-K177 WeakPolarHBondContact O-CB 3.45Å; E173-K177 PolarHBondContact O-N 3.3Å
174D90.9Very high90Very high62 Ų6267.8 Ų67.833%0.33236%0.355SS..Hα-helixtrans-62.9-40.5176.2-70-46.2000111.1M170 S171 K177 L178M170-D174 HydrophobicContact CG-CB 4.05Å; S171-D174 PolarHBondContact O-N 2.86Å; S171-D174 WeakPolarHBondContact OG-CB 3.22Å; S171-D174 PolarHBondContact OG-N 3.46Å; S171-D174 PolarHBondContact OG-OD2 3.48Å; D174-K177 PolarHBondContact O-N 3.06Å; D174-L178 WeakPolarHBondContact O-CB 3.47Å; D174-L178 VanDerWaalsContact O-CG 3.26Å; D174-L178 WeakPolarHBondContact O-CG 3.43Å; D174-L178 PolarHBondContact O-N 3.4Å
175R88.6Confident89.4Confident103 Ų10366.8 Ų66.839%0.38935%0.351SS..Hα-helixtrans-58.6-52.7177.1-166.8-176.676.7112.3-0.4110.9M170 S171 E172 E173 K177 L178 V179 L184M170-R175 HydrophobicContact CG-CB 4.39Å; M170-R175 HydrophobicContact SD-CB 4.03Å; M170-R175 HydrophobicContact SD-CG 4.35Å; S171-R175 WeakPolarHBondContact O-CB 3.02Å; S171-R175 PolarHBondContact O-N 3.04Å; E172-R175 PolarHBondContact O-N 3.35Å; E172-R175 IonicContact OE1-CZ 2.71Å; E172-R175 IonicContact OE1-NE 3.98Å; E172-R175 PolarHBondContact OE1-NE 2.91Å; E172-R175 IonicContact OE1-NH2 3.76Å; E172-R175 PolarHBondContact OE1-NH2 3.45Å; E172-R175 IonicContact OE2-CZ 2.73Å; E172-R175 IonicContact OE2-NE 3.86Å; E172-R175 PolarHBondContact OE2-NE 3.05Å; E172-R175 IonicContact OE2-NH2 2.72Å; E172-R175 PolarHBondContact OE2-NH2 3.2Å; E173-R175 VanDerWaalsContact C-N 3.3Å; E173-R175 PolarHBondContact O-N 3.4Å; R175-K177 VanDerWaalsContact C-N 3.33Å; R175-K177 PolarHBondContact O-N 2.99Å; R175-L178 PolarHBondContact O-N 2.89Å; R175-V179 WeakPolarHBondContact O-CB 3.25Å; R175-V179 WeakPolarHBondContact O-CG2 3.44Å; R175-V179 PolarHBondContact O-N 3.12Å; R175-L184 HydrophobicContact CB-CD2 4.42Å; R175-L184 HydrophobicContact CG-CD2 3.6Å
176I86.2Confident88.6Confident80 Ų8068.9 Ų68.941%0.4136%0.359SS..Hα-helixtrans-60.6-44.3179.3-71.3168.7000110.5E172 E173 V179 N180E172-I176 HydrophobicContact CG-CD1 3.96Å; E172-I176 HydrophobicContact CG-CG1 4.48Å; E172-I176 WeakPolarHBondContact O-CB 3.47Å; E172-I176 VanDerWaalsContact O-CG1 3.26Å; E172-I176 WeakPolarHBondContact O-CG1 3.45Å; E172-I176 PolarHBondContact O-N 3.08Å; E173-I176 PolarHBondContact O-N 3.14Å; I176-V179 PolarHBondContact O-N 3.08Å; I176-N180 WeakPolarHBondContact O-CB 3.31Å; I176-N180 PolarHBondContact O-N 3.4Å; I176-N180 PolarHBondContact O-ND2 2.66Å
177K89.9Confident88Confident109 Ų10969.9 Ų69.947%0.47436%0.361SS..Hα-helixtrans-61.8-50179.3-178-178.3176-1710112.2E173 D174 R175 V179 N180 D181E173-K177 VanDerWaalsContact O-CB 3.32Å; E173-K177 WeakPolarHBondContact O-CB 3.45Å; E173-K177 PolarHBondContact O-N 3.3Å; D174-K177 PolarHBondContact O-N 3.06Å; R175-K177 VanDerWaalsContact C-N 3.33Å; R175-K177 PolarHBondContact O-N 2.99Å; K177-V179 VanDerWaalsContact C-N 3.27Å; K177-V179 PolarHBondContact O-N 3.34Å; K177-N180 PolarHBondContact O-N 3.2Å; K177-D181 WeakPolarHBondContact O-CB 3.35Å; K177-D181 PolarHBondContact O-N 3.14Å
178L89.5Confident87.6Confident15 Ų1573.7 Ų73.78%0.07938%0.382CS..Hα-helixtrans-65.7-31.9179.5-68.2175.7000112.1M170 D174 R175 H182 F183 L184 I207 I209M170-L178 HydrophobicContact CE-CD1 3.96Å; M170-L178 HydrophobicContact SD-CD1 4.25Å; D174-L178 WeakPolarHBondContact O-CB 3.47Å; D174-L178 VanDerWaalsContact O-CG 3.26Å; D174-L178 WeakPolarHBondContact O-CG 3.43Å; D174-L178 PolarHBondContact O-N 3.4Å; R175-L178 PolarHBondContact O-N 2.89Å; L178-H182 PolarHBondContact O-N 3.03Å; L178-F183 HydrophobicContact CB-CB 4.39Å; L178-F183 HydrophobicContact CD2-CB 4.13Å; L178-F183 HydrophobicContact CD2-CD2 3.91Å; L178-F183 WeakPolarHBondContact O-CA 3.27Å; L178-F183 WeakPolarHBondContact O-CB 3.44Å; L178-F183 PolarHBondContact O-N 3.43Å; L178-L184 HydrophobicContact CB-CB 3.76Å; L178-L184 HydrophobicContact CB-CD2 4.49Å; L178-L184 HydrophobicContact CD1-CD1 4.33Å; L178-L184 PolarHBondContact O-N 3.34Å; L178-I207 HydrophobicContact CD1-CG2 4.03Å; L178-I209 HydrophobicContact CD1-CD1 4.47Å; L178-I209 HydrophobicContact CD2-CD1 3.34Å
179V82.1Confident87.4Confident20 Ų2073.6 Ų73.612%0.12138%0.378CS..Hα-helixtrans-65.9-46.1171.8164.20000111.3R175 I176 K177 D181 H182 L184 R186R175-V179 WeakPolarHBondContact O-CB 3.25Å; R175-V179 WeakPolarHBondContact O-CG2 3.44Å; R175-V179 PolarHBondContact O-N 3.12Å; I176-V179 PolarHBondContact O-N 3.08Å; K177-V179 VanDerWaalsContact C-N 3.27Å; K177-V179 PolarHBondContact O-N 3.34Å; V179-D181 VanDerWaalsContact C-N 3.32Å; V179-D181 PolarHBondContact O-N 3.09Å; V179-H182 WeakPolarHBondContact O-CA 3.42Å; V179-H182 PolarHBondContact O-N 3.07Å; V179-L184 HydrophobicContact CG2-CB 3.87Å; V179-L184 HydrophobicContact CG2-CD2 4.02Å; V179-L184 HydrophobicContact CG2-CG 4.45Å; V179-R186 HydrophobicContact CG2-CG 4.4Å
180N79.6Confident87.5Confident107 Ų10773.4 Ų73.457%0.57236%0.358SS*.Hα-helixtrans-66.8-33.5179.7-70.5-16.4000112.4I176 K177 H182I176-N180 WeakPolarHBondContact O-CB 3.31Å; I176-N180 PolarHBondContact O-N 3.4Å; I176-N180 PolarHBondContact O-ND2 2.66Å; K177-N180 PolarHBondContact O-N 3.2Å; N180-H182 PolarHBondContact O-N 3.1Å
181D82.6Confident87.6Confident64 Ų6473.1 Ų73.134%0.34236%0.358SS..THydrogen-bonded Turntrans-74.2-0.6173.3-71.5-9.8000112.5K177 V179 F183K177-D181 WeakPolarHBondContact O-CB 3.35Å; K177-D181 PolarHBondContact O-N 3.14Å; V179-D181 VanDerWaalsContact C-N 3.32Å; V179-D181 PolarHBondContact O-N 3.09Å; D181-F183 HydrophobicContact CB-CD1 4.31Å; D181-F183 HydrophobicContact CB-CD2 3.72Å; D181-F183 HydrophobicContact CB-CE1 4.47Å; D181-F183 HydrophobicContact CB-CE2 3.9Å; D181-F183 HydrophobicContact CB-CG 3.95Å; D181-F183 HydrophobicContact CB-CZ 4.28Å; D181-F183 VanDerWaalsContact O-CD1 3.26Å; D181-F183 WeakPolarHBondContact O-CD1 3.3Å; D181-F183 WeakPolarHBondContact O-CE1 3.41Å; D181-F183 PolarHBondContact O-N 3.03Å
182H80.7Confident87.7Confident148 Ų14870.9 Ų70.969%0.68534%0.343SS*.THydrogen-bonded Turntrans5927.7-173-56.3-80.3000114.1L178 V179 N180L178-H182 PolarHBondContact O-N 3.03Å; V179-H182 WeakPolarHBondContact O-CA 3.42Å; V179-H182 PolarHBondContact O-N 3.07Å; N180-H182 PolarHBondContact O-N 3.1Å
183F87.8Confident88.1Confident18 Ų1871.1 Ų71.18%0.07934%0.339CS..  trans-92-36.2178.2-64.9-15.1000112.5L178 D181 I207 I209 K213 L216 W218L178-F183 HydrophobicContact CB-CB 4.39Å; L178-F183 HydrophobicContact CD2-CB 4.13Å; L178-F183 HydrophobicContact CD2-CD2 3.91Å; L178-F183 WeakPolarHBondContact O-CA 3.27Å; L178-F183 WeakPolarHBondContact O-CB 3.44Å; L178-F183 PolarHBondContact O-N 3.43Å; D181-F183 HydrophobicContact CB-CD1 4.31Å; D181-F183 HydrophobicContact CB-CD2 3.72Å; D181-F183 HydrophobicContact CB-CE1 4.47Å; D181-F183 HydrophobicContact CB-CE2 3.9Å; D181-F183 HydrophobicContact CB-CG 3.95Å; D181-F183 HydrophobicContact CB-CZ 4.28Å; D181-F183 VanDerWaalsContact O-CD1 3.26Å; D181-F183 WeakPolarHBondContact O-CD1 3.3Å; D181-F183 WeakPolarHBondContact O-CE1 3.41Å; D181-F183 PolarHBondContact O-N 3.03Å; F183-I207 HydrophobicContact CB-CD1 4.03Å; F183-I207 WeakPolarHBondContact O-CD1 3.35Å; F183-I209 HydrophobicContact CB-CD1 4.46Å; F183-I209 HydrophobicContact CD2-CD1 4.01Å; F183-K213 HydrophobicContact CE2-CB 4.09Å; F183-K213 HydrophobicContact CE2-CD 4.12Å; F183-K213 HydrophobicContact CE2-CG 4.34Å; F183-K213 HydrophobicContact CZ-CB 3.99Å; F183-L216 HydrophobicContact CB-CD2 3.65Å; F183-L216 HydrophobicContact CD1-CD2 3.32Å; F183-L216 HydrophobicContact CD2-CD2 4.01Å; F183-L216 HydrophobicContact CE1-CD2 3.88Å; F183-L216 HydrophobicContact CE2-CD2 4.49Å; F183-L216 HydrophobicContact CG-CD2 3.39Å; F183-L216 HydrophobicContact CZ-CD2 4.43Å; F183-W218 VanDerWaalsContact O-CE2 3.28Å; F183-W218 WeakPolarHBondContact O-CZ2 3.4Å; F183-W218 PolarHBondContact O-NE1 2.9Å
184L84.2Confident88.4Confident17 Ų1765.3 Ų65.39%0.08931%0.313CS..  trans-95136.9-174.3-157.269.1000113L167 M170 R175 L178 V179 I207L167-L184 HydrophobicContact CD1-CD1 4.1Å; M170-L184 HydrophobicContact CE-CD1 4.24Å; M170-L184 HydrophobicContact SD-CD1 4.47Å; M170-L184 HydrophobicContact SD-CD2 3.99Å; R175-L184 HydrophobicContact CB-CD2 4.42Å; R175-L184 HydrophobicContact CG-CD2 3.6Å; L178-L184 HydrophobicContact CB-CB 3.76Å; L178-L184 HydrophobicContact CB-CD2 4.49Å; L178-L184 HydrophobicContact CD1-CD1 4.33Å; L178-L184 PolarHBondContact O-N 3.34Å; V179-L184 HydrophobicContact CG2-CB 3.87Å; V179-L184 HydrophobicContact CG2-CD2 4.02Å; V179-L184 HydrophobicContact CG2-CG 4.45Å; L184-I207 HydrophobicContact CD1-CB 4.2Å; L184-I207 HydrophobicContact CD1-CD1 4.38Å; L184-I207 HydrophobicContact CD1-CG2 3.72Å
185F86.1Confident88.8Confident10 Ų1062.4 Ų62.44%0.04430%0.298CS..  trans-78.3160.3166.557.2-87.5000111.8L167 W201 R205 W218 E221L167-F185 HydrophobicContact CD1-CE1 4.42Å; L167-F185 HydrophobicContact CD1-CZ 4Å; L167-F185 HydrophobicContact CD2-CE2 3.9Å; L167-F185 HydrophobicContact CD2-CZ 4.07Å; F185-W201 AromaticContact CD2-CH2 3.74Å; F185-W201 HydrophobicContact CD2-CH2 3.74Å; F185-W201 HydrophobicContact CD2-CZ3 4.22Å; F185-W201 AromaticContact CE2-CH2 3.51Å; F185-W201 HydrophobicContact CE2-CH2 3.51Å; F185-W201 AromaticContact CE2-CZ3 3.79Å; F185-W201 HydrophobicContact CE2-CZ3 3.79Å; F185-R205 HydrophobicContact CZ-CB 4.48Å; F185-W218 HydrophobicContact CB-CD2 4.2Å; F185-W218 HydrophobicContact CB-CE3 3.93Å; F185-W218 HydrophobicContact CB-CH2 3.96Å; F185-W218 HydrophobicContact CB-CZ2 4.23Å; F185-W218 HydrophobicContact CB-CZ3 3.81Å; F185-W218 HydrophobicContact CD1-CB 3.84Å; F185-W218 AromaticContact CD1-CD1 3.77Å; F185-W218 AromaticContact CD1-CD2 3.48Å; F185-W218 HydrophobicContact CD1-CD2 3.48Å; F185-W218 VanDerWaalsContact CD1-CD2 3.48Å; F185-W218 AromaticContact CD1-CE2 3.85Å; F185-W218 AromaticContact CD1-CE3 3.91Å; F185-W218 HydrophobicContact CD1-CE3 3.91Å; F185-W218 AromaticContact CD1-CG 3.45Å; F185-W218 HydrophobicContact CD1-CG 3.45Å; F185-W218 VanDerWaalsContact CD1-CG 3.45Å; F185-W218 HydrophobicContact CE1-CB 3.66Å; F185-W218 HydrophobicContact CE1-CD2 4.25Å; F185-W218 AromaticContact CE1-CG 3.73Å; F185-W218 HydrophobicContact CE1-CG 3.73Å; F185-W218 HydrophobicContact CG-CD2 4.24Å; F185-W218 HydrophobicContact CG-CE3 4.24Å; F185-E221 HydrophobicContact CB-CG 3.63Å; F185-E221 HydrophobicContact CD1-CB 4.15Å; F185-E221 HydrophobicContact CD1-CG 3.93Å; F185-E221 HydrophobicContact CD2-CB 3.8Å; F185-E221 HydrophobicContact CD2-CG 3.21Å; F185-E221 HydrophobicContact CE1-CB 4.11Å; F185-E221 HydrophobicContact CE1-CG 4.36Å; F185-E221 HydrophobicContact CE2-CB 3.74Å; F185-E221 HydrophobicContact CE2-CG 3.71Å; F185-E221 HydrophobicContact CG-CB 4Å; F185-E221 HydrophobicContact CG-CG 3.33Å; F185-E221 HydrophobicContact CZ-CB 3.9Å; F185-E221 HydrophobicContact CZ-CG 4.25Å
186R78.7Confident89.2Confident128 Ų12857.6 Ų57.648%0.48328%0.28SS..  trans-122.4169-178.3-65.3-180-176.1178.42.5110.9V179 D188 Y198V179-R186 HydrophobicContact CG2-CG 4.4Å; R186-D188 VanDerWaalsContact CB-OD1 3.25Å; R186-D188 WeakPolarHBondContact CB-OD1 3.44Å; R186-D188 VanDerWaalsContact CD-OD2 3.29Å; R186-D188 WeakPolarHBondContact CD-OD2 3.45Å; R186-D188 IonicContact NH1-OD2 3.04Å; R186-Y198 PolarHBondContact O-OH 2.9Å; R186-Y198 VanDerWaalsContact O-OH 3.09Å
187N84.7Confident89.8Confident72 Ų7254 Ų5439%0.38526%0.263SS..SBendtrans-101.732.8177.265.6-30.9000113.5Y198 W201N187-Y198 VanDerWaalsContact C-CE2 3.42Å; N187-Y198 WeakPolarHBondContact CA-OH 3.22Å; N187-Y198 HydrophobicContact CB-CD1 4.16Å; N187-Y198 HydrophobicContact CB-CD2 4.09Å; N187-Y198 HydrophobicContact CB-CE1 4.11Å; N187-Y198 HydrophobicContact CB-CE2 4.05Å; N187-Y198 HydrophobicContact CB-CG 4.16Å; N187-Y198 WeakPolarHBondContact O-CE2 3.13Å; N187-W201 HydrophobicContact CB-CD2 4.02Å; N187-W201 HydrophobicContact CB-CE3 4.3Å; N187-W201 HydrophobicContact CB-CH2 4.12Å; N187-W201 HydrophobicContact CB-CZ2 3.83Å; N187-W201 HydrophobicContact CB-CZ3 4.34Å
188D88.7Confident90.1Very high100 Ų10050 Ų5054%0.53525%0.245SC..  trans-103.80.9-174.153.71000114.1R186 N190R186-D188 VanDerWaalsContact CB-OD1 3.25Å; R186-D188 WeakPolarHBondContact CB-OD1 3.44Å; R186-D188 VanDerWaalsContact CD-OD2 3.29Å; R186-D188 WeakPolarHBondContact CD-OD2 3.45Å; R186-D188 IonicContact NH1-OD2 3.04Å; D188-N190 PolarHBondContact O-N 2.87Å
189D92Very high90.5Very high68 Ų6851.7 Ų51.736%0.36425%0.254SS..  trans-84.3108.6174.3-176.2-7000111.4V191 L192 R193 Y198D189-V191 VanDerWaalsContact C-N 3.3Å; D189-V191 PolarHBondContact O-N 3.28Å; D189-V191 WeakPolarHBondContact OD1-CA 3.25Å; D189-V191 VanDerWaalsContact OD1-CB 3.29Å; D189-V191 WeakPolarHBondContact OD1-CB 3.16Å; D189-V191 PolarHBondContact OD1-N 3.48Å; D189-L192 HydrophobicContact CB-CB 3.95Å; D189-L192 PolarHBondContact O-N 2.65Å; D189-L192 PolarHBondContact OD1-N 3.24Å; D189-R193 WeakPolarHBondContact O-CB 3.38Å; D189-R193 PolarHBondContact O-N 3.19Å; D189-Y198 WeakPolarHBondContact CB-OH 3.38Å; D189-Y198 PolarHBondContact N-OH 2.8Å; D189-Y198 WeakPolarHBondContact O-CE2 3.32Å
190N95.7Very high91.3Very high76 Ų7653.6 Ų53.641%0.40626%0.263SS..Hα-helixtrans-61.1-36.2177.1-62-12.8000112.7N56 D188 R193 D194N56-N190 WeakPolarHBondContact OD1-CB 3.34Å; D188-N190 PolarHBondContact O-N 2.87Å; N190-R193 PolarHBondContact O-N 2.89Å; N190-R193 PolarHBondContact OD1-NH1 2.73Å; N190-R193 PolarHBondContact OD1-NH2 2.71Å; N190-D194 WeakPolarHBondContact O-CB 3.19Å; N190-D194 VanDerWaalsContact O-CG 3.28Å; N190-D194 PolarHBondContact O-N 2.72Å
191V96.6Very high92.1Very high30 Ų3052 Ų5218%0.18225%0.249CC..Hα-helixtrans-65.5-44.5179.6-178.90000109.8T52 N56 A59 D189 A195T52-V191 WeakPolarHBondContact CB-O 3.24Å; T52-V191 HydrophobicContact CG2-CG1 4.37Å; T52-V191 WeakPolarHBondContact OG1-CA 3.43Å; T52-V191 WeakPolarHBondContact OG1-CG1 3.16Å; T52-V191 PolarHBondContact OG1-O 2.69Å; N56-V191 HydrophobicContact CB-CG2 4.02Å; A59-V191 HydrophobicContact CB-CG1 3.92Å; A59-V191 HydrophobicContact CB-CG2 4.06Å; D189-V191 VanDerWaalsContact C-N 3.3Å; D189-V191 PolarHBondContact O-N 3.28Å; D189-V191 WeakPolarHBondContact OD1-CA 3.25Å; D189-V191 VanDerWaalsContact OD1-CB 3.29Å; D189-V191 WeakPolarHBondContact OD1-CB 3.16Å; D189-V191 PolarHBondContact OD1-N 3.48Å; V191-A195 WeakPolarHBondContact O-CB 3.42Å; V191-A195 PolarHBondContact O-N 2.67Å
192L96.7Very high92.7Very high3 Ų351 Ų512%0.01625%0.246CC..Hα-helixtrans-68.4-41.7176.9-176.254.6000111.7D189 A195 G196 G197 Y198 E221 E222 F267D189-L192 HydrophobicContact CB-CB 3.95Å; D189-L192 PolarHBondContact O-N 2.65Å; D189-L192 PolarHBondContact OD1-N 3.24Å; L192-A195 PolarHBondContact O-N 2.96Å; L192-G196 PolarHBondContact O-N 2.94Å; L192-G197 WeakPolarHBondContact O-CA 3.26Å; L192-G197 PolarHBondContact O-N 3.45Å; L192-Y198 HydrophobicContact CB-CE2 4.48Å; L192-Y198 HydrophobicContact CD2-CD1 4.49Å; L192-Y198 HydrophobicContact CD2-CE1 3.56Å; L192-Y198 HydrophobicContact CG-CE1 3.92Å; L192-E221 WeakPolarHBondContact CD2-OE1 3.49Å; L192-E222 HydrophobicContact CD1-CB 4.43Å; L192-E222 HydrophobicContact CD1-CG 4.23Å; L192-E222 HydrophobicContact CD2-CB 4.38Å; L192-F267 HydrophobicContact CD1-CD1 4.27Å; L192-F267 HydrophobicContact CD1-CE1 3.6Å; L192-F267 HydrophobicContact CD1-CZ 4.39Å
193R97.8Very high93.5Very high106 Ų10645.4 Ų45.440%0.422%0.222SC..Hα-helixtrans-57.6-51.8176.3-174.1173.558.3-121.8-1.9111.9D189 N190 A195 G196 Y198D189-R193 WeakPolarHBondContact O-CB 3.38Å; D189-R193 PolarHBondContact O-N 3.19Å; N190-R193 PolarHBondContact O-N 2.89Å; N190-R193 PolarHBondContact OD1-NH1 2.73Å; N190-R193 PolarHBondContact OD1-NH2 2.71Å; R193-A195 PolarHBondContact O-N 2.85Å; R193-G196 PolarHBondContact O-N 3.06Å; R193-Y198 HydrophobicContact CB-CD2 3.51Å; R193-Y198 HydrophobicContact CB-CE2 3.82Å; R193-Y198 HydrophobicContact CG-CD2 3.89Å
194D98.2Very high94Very high36 Ų3644.5 Ų44.519%0.19322%0.219CC..Hα-helixtrans-75-9.7-176.7-61.4-21.1000112.4N51 N56 N190 G196N51-D194 PolarHBondContact ND2-O 2.93Å; N56-D194 PolarHBondContact ND2-OD2 3.28Å; N190-D194 WeakPolarHBondContact O-CB 3.19Å; N190-D194 VanDerWaalsContact O-CG 3.28Å; N190-D194 PolarHBondContact O-N 2.72Å; D194-G196 VanDerWaalsContact C-N 3.35Å
195A98.3Very high94.7Very high1 Ų143.9 Ų43.91%0.00822%0.215CC..THydrogen-bonded Turntrans-90.75.416700000113.4T52 R63 P135 V191 L192 R193 F267T52-A195 HydrophobicContact CG2-CB 4.25Å; R63-A195 HydrophobicContact CB-CB 3.97Å; R63-A195 HydrophobicContact CG-CB 3.58Å; P135-A195 VanDerWaalsContact CG-O 3.27Å; P135-A195 WeakPolarHBondContact CG-O 3.32Å; V191-A195 WeakPolarHBondContact O-CB 3.42Å; V191-A195 PolarHBondContact O-N 2.67Å; L192-A195 PolarHBondContact O-N 2.96Å; R193-A195 PolarHBondContact O-N 2.85Å; A195-F267 HydrophobicContact CB-CE1 4.08Å; A195-F267 HydrophobicContact CB-CZ 3.62Å
196G98Very high95.2Very high1 Ų143.4 Ų43.41%0.0121%0.213CC..THydrogen-bonded Turntrans85.310.517900000115G134 L192 R193 D194 Y198 I199G134-G196 WeakPolarHBondContact CA-O 3.17Å; L192-G196 PolarHBondContact O-N 2.94Å; R193-G196 PolarHBondContact O-N 3.06Å; D194-G196 VanDerWaalsContact C-N 3.35Å; G196-Y198 VanDerWaalsContact C-N 3.26Å; G196-Y198 PolarHBondContact O-N 2.94Å; G196-I199 WeakPolarHBondContact O-CG1 3.37Å; G196-I199 PolarHBondContact O-N 2.88Å
197G97.1Very high96.1Very high5 Ų537.3 Ų37.35%0.05219%0.19CC..THydrogen-bonded Turntrans-66.7-21-175.700000114.9L192 R205L192-G197 WeakPolarHBondContact O-CA 3.26Å; L192-G197 PolarHBondContact O-N 3.45Å; G197-R205 PolarHBondContact O-NH2 3.4Å
198Y97.7Very high96.8Very high25 Ų2534 Ų3410%0.09817%0.172CC..THydrogen-bonded Turntrans-110.115.5-178.3-54.5-36.6000114.5R186 N187 D189 L192 R193 G196 D200 W201R186-Y198 PolarHBondContact O-OH 2.9Å; R186-Y198 VanDerWaalsContact O-OH 3.09Å; N187-Y198 VanDerWaalsContact C-CE2 3.42Å; N187-Y198 WeakPolarHBondContact CA-OH 3.22Å; N187-Y198 HydrophobicContact CB-CD1 4.16Å; N187-Y198 HydrophobicContact CB-CD2 4.09Å; N187-Y198 HydrophobicContact CB-CE1 4.11Å; N187-Y198 HydrophobicContact CB-CE2 4.05Å; N187-Y198 HydrophobicContact CB-CG 4.16Å; N187-Y198 WeakPolarHBondContact O-CE2 3.13Å; D189-Y198 WeakPolarHBondContact CB-OH 3.38Å; D189-Y198 PolarHBondContact N-OH 2.8Å; D189-Y198 WeakPolarHBondContact O-CE2 3.32Å; L192-Y198 HydrophobicContact CB-CE2 4.48Å; L192-Y198 HydrophobicContact CD2-CD1 4.49Å; L192-Y198 HydrophobicContact CD2-CE1 3.56Å; L192-Y198 HydrophobicContact CG-CE1 3.92Å; R193-Y198 HydrophobicContact CB-CD2 3.51Å; R193-Y198 HydrophobicContact CB-CE2 3.82Å; R193-Y198 HydrophobicContact CG-CD2 3.89Å; G196-Y198 VanDerWaalsContact C-N 3.26Å; G196-Y198 PolarHBondContact O-N 2.94Å; Y198-D200 PolarHBondContact O-N 2.93Å; Y198-W201 AromaticContact CD1-CE3 3.81Å; Y198-W201 HydrophobicContact CD1-CE3 3.81Å; Y198-W201 AromaticContact CD1-CZ3 3.93Å; Y198-W201 HydrophobicContact CD1-CZ3 3.93Å; Y198-W201 HydrophobicContact CE1-CE3 4.49Å; Y198-W201 HydrophobicContact CE1-CZ3 4.18Å; Y198-W201 HydrophobicContact CG-CE3 4.49Å; Y198-W201 VanDerWaalsContact O-CB 3.31Å; Y198-W201 WeakPolarHBondContact O-CB 3.42Å; Y198-W201 PolarHBondContact O-N 2.78Å
199I97.6Very high97.2Very high51 Ų5129.7 Ų29.726%0.26215%0.149SC..THydrogen-bonded Turntrans-61.3135.6172.5-63.2172.7000109.2M1 G196 W201 R205M1-I199 HydrophobicContact CB-CD1 3.72Å; M1-I199 HydrophobicContact CG-CD1 3.82Å; M1-I199 HydrophobicContact SD-CD1 4.22Å; G196-I199 WeakPolarHBondContact O-CG1 3.37Å; G196-I199 PolarHBondContact O-N 2.88Å; I199-W201 VanDerWaalsContact C-N 3.26Å; I199-W201 PolarHBondContact O-N 2.96Å; I199-R205 PolarHBondContact O-NH1 2.67Å; I199-R205 PolarHBondContact O-NH2 3.33Å
200D97.6Very high97.5Very high60 Ų6026.6 Ų26.632%0.32113%0.132SC..THydrogen-bonded Turntrans58.327.2-175.2-46.8-53.2000115K139 R142 Y198 T203K139-D200 HydrophobicContact CB-CB 4.49Å; K139-D200 HydrophobicContact CG-CB 4.26Å; R142-D200 IonicContact CZ-OD2 2.68Å; R142-D200 IonicContact NH1-OD2 2.81Å; R142-D200 PolarHBondContact NH1-OD2 2.97Å; R142-D200 IonicContact NH2-OD2 3.84Å; Y198-D200 PolarHBondContact O-N 2.93Å; D200-T203 WeakPolarHBondContact O-CB 3.2Å; D200-T203 PolarHBondContact O-N 3.03Å
201W96.6Very high97.5Very high72 Ų7229.3 Ų29.327%0.27314%0.14SC..THydrogen-bonded Turntrans-60.7137.3177.7-175.3-87.3000112.4L167 F185 N187 Y198 I199L167-W201 HydrophobicContact CD2-CH2 3.43Å; L167-W201 VanDerWaalsContact CD2-CH2 3.43Å; L167-W201 HydrophobicContact CD2-CZ2 3.39Å; L167-W201 HydrophobicContact CD2-CZ3 4.25Å; F185-W201 AromaticContact CD2-CH2 3.74Å; F185-W201 HydrophobicContact CD2-CH2 3.74Å; F185-W201 HydrophobicContact CD2-CZ3 4.22Å; F185-W201 AromaticContact CE2-CH2 3.51Å; F185-W201 HydrophobicContact CE2-CH2 3.51Å; F185-W201 AromaticContact CE2-CZ3 3.79Å; F185-W201 HydrophobicContact CE2-CZ3 3.79Å; N187-W201 HydrophobicContact CB-CD2 4.02Å; N187-W201 HydrophobicContact CB-CE3 4.3Å; N187-W201 HydrophobicContact CB-CH2 4.12Å; N187-W201 HydrophobicContact CB-CZ2 3.83Å; N187-W201 HydrophobicContact CB-CZ3 4.34Å; Y198-W201 AromaticContact CD1-CE3 3.81Å; Y198-W201 HydrophobicContact CD1-CE3 3.81Å; Y198-W201 AromaticContact CD1-CZ3 3.93Å; Y198-W201 HydrophobicContact CD1-CZ3 3.93Å; Y198-W201 HydrophobicContact CE1-CE3 4.49Å; Y198-W201 HydrophobicContact CE1-CZ3 4.18Å; Y198-W201 HydrophobicContact CG-CE3 4.49Å; Y198-W201 VanDerWaalsContact O-CB 3.31Å; Y198-W201 WeakPolarHBondContact O-CB 3.42Å; Y198-W201 PolarHBondContact O-N 2.78Å; I199-W201 VanDerWaalsContact C-N 3.26Å; I199-W201 PolarHBondContact O-N 2.96Å
202P96.3Very high97.6Very high44 Ų4433 Ų3329%0.28616%0.156SC..THydrogen-bonded Turncis-96.213.11.837.6-35.2000114.4L167 T168 R205L167-P202 HydrophobicContact CB-CB 3.84Å; L167-P202 HydrophobicContact CD2-CB 4.46Å; T168-P202 PolarHBondContact OG1-O 2.9Å; P202-R205 WeakPolarHBondContact O-CB 3.29Å
203T97.9Very high97.5Very high30 Ų3037.5 Ų37.518%0.18418%0.175CC..THydrogen-bonded Turntrans-65.1145-174-56.30000112.2K139 I143 T168 D200 R205K139-T203 HydrophobicContact CG-CG2 4.29Å; I143-T203 HydrophobicContact CD1-CG2 3.54Å; I143-T203 HydrophobicContact CG1-CG2 3.55Å; T168-T203 WeakPolarHBondContact OG1-CA 3.28Å; D200-T203 WeakPolarHBondContact O-CB 3.2Å; D200-T203 PolarHBondContact O-N 3.03Å; T203-R205 VanDerWaalsContact C-N 3.34Å; T203-R205 PolarHBondContact O-NH1 3.35Å
204G98Very high97.5Very high0 Ų033.7 Ų33.70%016%0.163CC..THydrogen-bonded Turntrans80.213.2178.200000114E146 N220E146-G204 WeakPolarHBondContact OE2-CA 3.48Å; E146-G204 PolarHBondContact OE2-N 2.75Å; G204-N220 VanDerWaalsContact O-CB 3.26Å; G204-N220 WeakPolarHBondContact O-CB 3.45Å; G204-N220 PolarHBondContact O-ND2 3.41Å
205R98.3Very high97.5Very high3 Ų332 Ų321%0.01115%0.154CC..  trans-136.2145-167.7-63173.1174.587-9.1110.8L167 F185 G197 I199 P202 T203 I219 N220L167-R205 HydrophobicContact CD2-CB 4.27Å; L167-R205 PolarHBondContact N-O 3.19Å; F185-R205 HydrophobicContact CZ-CB 4.48Å; G197-R205 PolarHBondContact O-NH2 3.4Å; I199-R205 PolarHBondContact O-NH1 2.67Å; I199-R205 PolarHBondContact O-NH2 3.33Å; P202-R205 WeakPolarHBondContact O-CB 3.29Å; T203-R205 VanDerWaalsContact C-N 3.34Å; T203-R205 PolarHBondContact O-NH1 3.35Å; R205-I219 WeakPolarHBondContact CA-O 3.01Å; R205-N220 WeakPolarHBondContact CD-O 3.23Å; R205-N220 HydrophobicContact CG-CB 3.89Å; R205-N220 WeakPolarHBondContact CG-O 3.45Å; R205-N220 PolarHBondContact NE-O 3.46Å
206G97.1Very high97.5Very high0 Ų032 Ų320%015%0.154CC..EExtended strand (participates in β ladder)trans-169.4177.9-179.500000113Y164 Y165 L167 I219Y164-G206 VanDerWaalsContact OH-CA 3.23Å; Y164-G206 WeakPolarHBondContact OH-CA 3.5Å; Y164-G206 PolarHBondContact OH-N 3.07Å; Y165-G206 VanDerWaalsContact O-CA 3.28Å; Y165-G206 WeakPolarHBondContact O-CA 3.42Å; L167-G206 VanDerWaalsContact CD1-CA 3.4Å; G206-I219 PolarHBondContact O-N 3.31Å
207I97.9Very high97.5Very high0 Ų032 Ų320%015%0.153CC..EExtended strand (participates in β ladder)trans-129.1132.7173.2-176.6168.3000110.1Y165 M170 L178 F183 L184 I209 L216 V217Y165-I207 PolarHBondContact N-O 3.43Å; Y165-I207 PolarHBondContact O-N 2.83Å; M170-I207 HydrophobicContact CE-CG2 4.14Å; L178-I207 HydrophobicContact CD1-CG2 4.03Å; F183-I207 HydrophobicContact CB-CD1 4.03Å; F183-I207 WeakPolarHBondContact O-CD1 3.35Å; L184-I207 HydrophobicContact CD1-CB 4.2Å; L184-I207 HydrophobicContact CD1-CD1 4.38Å; L184-I207 HydrophobicContact CD1-CG2 3.72Å; I207-I209 HydrophobicContact CD1-CD1 4.08Å; I207-I209 HydrophobicContact CD1-CG1 4.08Å; I207-I209 HydrophobicContact CG1-CD1 4.29Å; I207-I209 HydrophobicContact CG1-CG1 3.86Å; I207-L216 HydrophobicContact CD1-CD2 4.32Å; I207-V217 CarbonylContact C-O 3.53Å; I207-V217 VanDerWaalsContact CA-O 3.31Å; I207-V217 WeakPolarHBondContact CA-O 3.49Å
208F98.3Very high97.6Very high2 Ų233.7 Ų33.71%0.00916%0.158CC..EExtended strand (participates in β ladder)trans-100.3140.2166.8-178-91000109.9L153 Y160 T163 Y164 F215 L216 V217L153-F208 HydrophobicContact CB-CD2 4.05Å; L153-F208 HydrophobicContact CB-CE2 4.28Å; L153-F208 HydrophobicContact CB-CG 4.26Å; L153-F208 HydrophobicContact CD1-CB 3.81Å; L153-F208 HydrophobicContact CD1-CG 4.17Å; Y160-F208 VanDerWaalsContact O-CE1 3.28Å; Y160-F208 WeakPolarHBondContact O-CE1 3.16Å; Y160-F208 WeakPolarHBondContact O-CZ 3.29Å; T163-F208 WeakPolarHBondContact O-CA 3.46Å; Y164-F208 HydrophobicContact CD2-CB 4.18Å; F208-F215 HydrophobicContact CD1-CD1 4.41Å; F208-F215 HydrophobicContact CD1-CE1 4.34Å; F208-F215 HydrophobicContact CE1-CD1 4.35Å; F208-F215 HydrophobicContact CE1-CE1 4.39Å; F208-L216 CarbonylContact O-C 3.6Å; F208-L216 VanDerWaalsContact O-CA 3.24Å; F208-L216 WeakPolarHBondContact O-CA 3.16Å; F208-V217 HydrophobicContact CB-CB 4.16Å; F208-V217 PolarHBondContact N-O 2.78Å; F208-V217 PolarHBondContact O-N 3.42Å
209I97.3Very high97.6Very high11 Ų1132.5 Ų32.56%0.05615%0.154CC..EExtended strand (participates in β ladder)trans-138.4127.8178.1-46.9178.1000108.6G162 T163 Y165 L178 F183 I207 K213 L216G162-I209 CarbonylContact C-O 3.5Å; G162-I209 WeakPolarHBondContact CA-O 3.38Å; T163-I209 PolarHBondContact N-O 2.62Å; T163-I209 PolarHBondContact O-N 3.47Å; Y165-I209 HydrophobicContact CD2-CD1 4.42Å; Y165-I209 HydrophobicContact CE2-CD1 4.33Å; L178-I209 HydrophobicContact CD1-CD1 4.47Å; L178-I209 HydrophobicContact CD2-CD1 3.34Å; F183-I209 HydrophobicContact CB-CD1 4.46Å; F183-I209 HydrophobicContact CD2-CD1 4.01Å; I207-I209 HydrophobicContact CD1-CD1 4.08Å; I207-I209 HydrophobicContact CD1-CG1 4.08Å; I207-I209 HydrophobicContact CG1-CD1 4.29Å; I207-I209 HydrophobicContact CG1-CG1 3.86Å; I209-K213 HydrophobicContact CG2-CB 4.39Å; I209-K213 HydrophobicContact CG2-CG 4.16Å; I209-L216 HydrophobicContact CG1-CD2 4.31Å; I209-L216 HydrophobicContact CG2-CD2 4.4Å
210N98.2Very high97.7Very high3 Ų330.5 Ų30.52%0.01614%0.143CC..EExtended strand (participates in β ladder)trans-71.8163.4173.778.5-27.8000112.2E159 E161 Q212 K213 N214 F215E159-N210 PolarHBondContact O-ND2 2.85Å; E161-N210 CarbonylContact O-C 3.59Å; E161-N210 WeakPolarHBondContact O-CA 3.31Å; N210-Q212 PolarHBondContact ND2-OE1 3.13Å; N210-Q212 VanDerWaalsContact ND2-OE1 3.13Å; N210-Q212 PolarHBondContact O-N 2.85Å; N210-Q212 VanDerWaalsContact O-N 3.16Å; N210-K213 PolarHBondContact O-N 2.86Å; N210-K213 WeakPolarHBondContact OD1-CA 3.31Å; N210-K213 PolarHBondContact OD1-N 3.36Å; N210-N214 PolarHBondContact ND2-OD1 3.44Å; N210-N214 PolarHBondContact OD1-N 2.82Å; N210-N214 PolarHBondContact OD1-OD1 3.08Å; N210-F215 HydrophobicContact CB-CB 4.26Å; N210-F215 PolarHBondContact N-O 2.94Å; N210-F215 VanDerWaalsContact N-O 3.11Å; N210-F215 PolarHBondContact OD1-N 3.06Å; N210-F215 PolarHBondContact OD1-O 3.41Å
211K97Very high97.5Very high132 Ų13228.9 Ų28.957%0.57413%0.134SC*.THydrogen-bonded Turntrans-54.7-35.9-179.5-74.7176.2-179.8174.40113.1E161 K213E161-K211 VanDerWaalsContact CD-CE 3.42Å; E161-K211 WeakPolarHBondContact O-CG 3.47Å; E161-K211 PolarHBondContact O-N 3.25Å; E161-K211 VanDerWaalsContact OE1-CE 3.29Å; E161-K211 WeakPolarHBondContact OE1-CE 3.46Å; E161-K211 IonicContact OE1-NZ 3.03Å; E161-K211 PolarHBondContact OE1-NZ 2.71Å; E161-K211 WeakPolarHBondContact OE2-CE 3.48Å; E161-K211 IonicContact OE2-NZ 3.12Å; E161-K211 PolarHBondContact OE2-NZ 2.68Å; K211-K213 VanDerWaalsContact C-N 3.29Å; K211-K213 PolarHBondContact O-N 3.29Å
212Q96.8Very high97.3Very high107 Ų10727.2 Ų27.250%0.513%0.129SC..THydrogen-bonded Turntrans-81.3-5.3-178.4-62.874.415.400113.3E159 N210 N214E159-Q212 PolarHBondContact O-OE1 2.87Å; N210-Q212 PolarHBondContact ND2-OE1 3.13Å; N210-Q212 VanDerWaalsContact ND2-OE1 3.13Å; N210-Q212 PolarHBondContact O-N 2.85Å; N210-Q212 VanDerWaalsContact O-N 3.16Å; Q212-N214 PolarHBondContact O-N 3.34Å
213K96.2Very high97.4Very high99 Ų9925.2 Ų25.243%0.4312%0.116SC..SBendtrans5435.6-179.4-58.9-178.5165.4-162.80113.8F183 I209 N210 K211F183-K213 HydrophobicContact CE2-CB 4.09Å; F183-K213 HydrophobicContact CE2-CD 4.12Å; F183-K213 HydrophobicContact CE2-CG 4.34Å; F183-K213 HydrophobicContact CZ-CB 3.99Å; I209-K213 HydrophobicContact CG2-CB 4.39Å; I209-K213 HydrophobicContact CG2-CG 4.16Å; N210-K213 PolarHBondContact O-N 2.86Å; N210-K213 WeakPolarHBondContact OD1-CA 3.31Å; N210-K213 PolarHBondContact OD1-N 3.36Å; K211-K213 VanDerWaalsContact C-N 3.29Å; K211-K213 PolarHBondContact O-N 3.29Å
214N97.4Very high97.4Very high25 Ų2523.9 Ų23.913%0.13411%0.108CC..SBendtrans-126.62.2-177.769.92.2000112.4N210 Q212 S229 M230 R242N210-N214 PolarHBondContact ND2-OD1 3.44Å; N210-N214 PolarHBondContact OD1-N 2.82Å; N210-N214 PolarHBondContact OD1-OD1 3.08Å; Q212-N214 PolarHBondContact O-N 3.34Å; N214-S229 WeakPolarHBondContact O-CA 3.44Å; N214-M230 VanDerWaalsContact CA-O 3.27Å; N214-M230 WeakPolarHBondContact CA-O 3.43Å; N214-M230 VanDerWaalsContact CB-O 3.26Å; N214-M230 WeakPolarHBondContact CB-O 3.35Å; N214-M230 PolarHBondContact O-N 2.87Å; N214-R242 VanDerWaalsContact CG-NH1 3.32Å; N214-R242 PolarHBondContact ND2-NE 3.11Å; N214-R242 PolarHBondContact ND2-NH1 3.05Å; N214-R242 PolarHBondContact ND2-NH2 3.13Å; N214-R242 PolarHBondContact O-NH1 3.33Å
215F98.5Very high97.5Very high0 Ų023.9 Ų23.90%011%0.108CC..EExtended strand (participates in β ladder)trans-136.7127.7170.4178.5-97.2000109.8L156 Y160 F208 N210 V217 V227 I228 A246L156-F215 HydrophobicContact CD1-CE1 4.16Å; L156-F215 HydrophobicContact CD1-CZ 4.41Å; Y160-F215 HydrophobicContact CD1-CB 4.44Å; Y160-F215 AromaticContact CD1-CD1 3.92Å; Y160-F215 HydrophobicContact CD1-CD1 3.92Å; Y160-F215 HydrophobicContact CD1-CD2 4.15Å; Y160-F215 HydrophobicContact CD1-CE1 4.14Å; Y160-F215 HydrophobicContact CD1-CE2 4.36Å; Y160-F215 AromaticContact CD1-CG 3.92Å; Y160-F215 HydrophobicContact CD1-CG 3.92Å; Y160-F215 HydrophobicContact CD1-CZ 4.35Å; Y160-F215 HydrophobicContact CE1-CD2 4.13Å; Y160-F215 HydrophobicContact CE1-CE2 4.33Å; Y160-F215 HydrophobicContact CE1-CG 4.29Å; F208-F215 HydrophobicContact CD1-CD1 4.41Å; F208-F215 HydrophobicContact CD1-CE1 4.34Å; F208-F215 HydrophobicContact CE1-CD1 4.35Å; F208-F215 HydrophobicContact CE1-CE1 4.39Å; N210-F215 HydrophobicContact CB-CB 4.26Å; N210-F215 PolarHBondContact N-O 2.94Å; N210-F215 VanDerWaalsContact N-O 3.11Å; N210-F215 PolarHBondContact OD1-N 3.06Å; N210-F215 PolarHBondContact OD1-O 3.41Å; F215-V217 HydrophobicContact CE1-CG2 3.63Å; F215-V217 HydrophobicContact CZ-CG2 3.72Å; F215-V227 HydrophobicContact CD2-CG1 4.45Å; F215-V227 HydrophobicContact CE2-CG1 3.36Å; F215-V227 HydrophobicContact CZ-CG1 3.52Å; F215-I228 CarbonylContact C-O 3.54Å; F215-I228 WeakPolarHBondContact CA-O 3.28Å; F215-A246 HydrophobicContact CD2-CB 4.29Å; F215-A246 HydrophobicContact CE2-CB 3.36Å; F215-A246 HydrophobicContact CZ-CB 3.55Å
216L98Very high97.5Very high2 Ų224 Ų241%0.0111%0.108CC..EExtended strand (participates in β ladder)trans-136.3147.1-176.6-43.695.3000110.7F183 I207 F208 I209 I228 M230F183-L216 HydrophobicContact CB-CD2 3.65Å; F183-L216 HydrophobicContact CD1-CD2 3.32Å; F183-L216 HydrophobicContact CD2-CD2 4.01Å; F183-L216 HydrophobicContact CE1-CD2 3.88Å; F183-L216 HydrophobicContact CE2-CD2 4.49Å; F183-L216 HydrophobicContact CG-CD2 3.39Å; F183-L216 HydrophobicContact CZ-CD2 4.43Å; I207-L216 HydrophobicContact CD1-CD2 4.32Å; F208-L216 CarbonylContact O-C 3.6Å; F208-L216 VanDerWaalsContact O-CA 3.24Å; F208-L216 WeakPolarHBondContact O-CA 3.16Å; I209-L216 HydrophobicContact CG1-CD2 4.31Å; I209-L216 HydrophobicContact CG2-CD2 4.4Å; L216-I228 HydrophobicContact CB-CB 4.35Å; L216-I228 HydrophobicContact CD1-CB 4.31Å; L216-I228 HydrophobicContact CD1-CG2 4.04Å; L216-I228 PolarHBondContact N-O 3.47Å; L216-I228 PolarHBondContact O-N 3.5Å; L216-M230 HydrophobicContact CD1-CG 3.76Å; L216-M230 HydrophobicContact CD1-SD 3.7Å
217V98.5Very high97.5Very high0 Ų024 Ų240%011%0.108CC..EExtended strand (participates in β ladder)trans-131.2123.6171.9-173.90000110.2L153 I207 F208 F215 I225 R226 V227L153-V217 HydrophobicContact CD1-CB 4.03Å; L153-V217 HydrophobicContact CD1-CG1 4.03Å; L153-V217 HydrophobicContact CD1-CG2 4.45Å; L153-V217 HydrophobicContact CD2-CB 4.13Å; L153-V217 HydrophobicContact CD2-CG1 4.29Å; L153-V217 HydrophobicContact CD2-CG2 3.65Å; I207-V217 CarbonylContact C-O 3.53Å; I207-V217 VanDerWaalsContact CA-O 3.31Å; I207-V217 WeakPolarHBondContact CA-O 3.49Å; F208-V217 HydrophobicContact CB-CB 4.16Å; F208-V217 PolarHBondContact N-O 2.78Å; F208-V217 PolarHBondContact O-N 3.42Å; F215-V217 HydrophobicContact CE1-CG2 3.63Å; F215-V217 HydrophobicContact CZ-CG2 3.72Å; V217-I225 HydrophobicContact CG1-CB 4.06Å; V217-I225 HydrophobicContact CG1-CG2 4.09Å; V217-R226 CarbonylContact C-O 3.54Å; V217-R226 VanDerWaalsContact CA-O 3.31Å; V217-R226 WeakPolarHBondContact CA-O 3.29Å; V217-V227 HydrophobicContact CG1-CG2 4.33Å; V217-V227 HydrophobicContact CG2-CG1 4.1Å; V217-V227 HydrophobicContact CG2-CG2 4.36Å
218W98.2Very high97.6Very high42 Ų4224.2 Ų24.216%0.15911%0.109CC..EExtended strand (participates in β ladder)trans-92.2132.4168.7-58.3-15.7000109.5F183 F185 E221 I225 R226 I228F183-W218 VanDerWaalsContact O-CE2 3.28Å; F183-W218 WeakPolarHBondContact O-CZ2 3.4Å; F183-W218 PolarHBondContact O-NE1 2.9Å; F185-W218 HydrophobicContact CB-CD2 4.2Å; F185-W218 HydrophobicContact CB-CE3 3.93Å; F185-W218 HydrophobicContact CB-CH2 3.96Å; F185-W218 HydrophobicContact CB-CZ2 4.23Å; F185-W218 HydrophobicContact CB-CZ3 3.81Å; F185-W218 HydrophobicContact CD1-CB 3.84Å; F185-W218 AromaticContact CD1-CD1 3.77Å; F185-W218 AromaticContact CD1-CD2 3.48Å; F185-W218 HydrophobicContact CD1-CD2 3.48Å; F185-W218 VanDerWaalsContact CD1-CD2 3.48Å; F185-W218 AromaticContact CD1-CE2 3.85Å; F185-W218 AromaticContact CD1-CE3 3.91Å; F185-W218 HydrophobicContact CD1-CE3 3.91Å; F185-W218 AromaticContact CD1-CG 3.45Å; F185-W218 HydrophobicContact CD1-CG 3.45Å; F185-W218 VanDerWaalsContact CD1-CG 3.45Å; F185-W218 HydrophobicContact CE1-CB 3.66Å; F185-W218 HydrophobicContact CE1-CD2 4.25Å; F185-W218 AromaticContact CE1-CG 3.73Å; F185-W218 HydrophobicContact CE1-CG 3.73Å; F185-W218 HydrophobicContact CG-CD2 4.24Å; F185-W218 HydrophobicContact CG-CE3 4.24Å; W218-E221 HydrophobicContact CB-CB 4.31Å; W218-E221 HydrophobicContact CE3-CB 4.47Å; W218-E221 HydrophobicContact CE3-CG 4.09Å; W218-I225 VanDerWaalsContact O-CA 3.31Å; W218-I225 WeakPolarHBondContact O-CA 3.39Å; W218-R226 HydrophobicContact CB-CB 4.2Å; W218-R226 HydrophobicContact CE3-CB 4.46Å; W218-R226 PolarHBondContact N-O 2.99Å; W218-R226 PolarHBondContact O-N 3.1Å; W218-I228 HydrophobicContact CD2-CD1 4.08Å; W218-I228 HydrophobicContact CG-CD1 4.46Å; W218-I228 HydrophobicContact CZ2-CD1 4.23Å
219I98.6Very high97.6Very high0 Ų024.1 Ų24.10%011%0.109CC..EExtended strand (participates in β ladder)trans-107.7127.4178.3-56.7-172.8000109.5E146 I149 L153 Y164 R205 G206 E221 H224E146-I219 HydrophobicContact CB-CG2 4.34Å; E146-I219 HydrophobicContact CG-CG2 4.25Å; I149-I219 HydrophobicContact CB-CD1 4Å; I149-I219 HydrophobicContact CD1-CG2 4.02Å; I149-I219 HydrophobicContact CG2-CD1 3.5Å; I149-I219 HydrophobicContact CG2-CG1 3.86Å; L153-I219 HydrophobicContact CD1-CD1 3.97Å; L153-I219 HydrophobicContact CD1-CG1 4.49Å; Y164-I219 HydrophobicContact CD2-CD1 4.2Å; Y164-I219 HydrophobicContact CE2-CD1 3.39Å; Y164-I219 HydrophobicContact CE2-CG1 4.11Å; R205-I219 WeakPolarHBondContact CA-O 3.01Å; G206-I219 PolarHBondContact O-N 3.31Å; I219-E221 VanDerWaalsContact C-N 3.32Å; I219-E221 PolarHBondContact O-N 3.23Å; I219-H224 WeakPolarHBondContact CA-O 3.32Å
220N98.2Very high97.6Very high9 Ų925.5 Ų25.55%0.04812%0.116CC..SBendtrans54.640.8174-67.8-36.8000114.7R142 L145 G204 R205 D223 H224R142-N220 HydrophobicContact CG-CB 4.37Å; R142-N220 PolarHBondContact O-ND2 3.17Å; L145-N220 WeakPolarHBondContact CD2-OD1 3.31Å; G204-N220 VanDerWaalsContact O-CB 3.26Å; G204-N220 WeakPolarHBondContact O-CB 3.45Å; G204-N220 PolarHBondContact O-ND2 3.41Å; R205-N220 WeakPolarHBondContact CD-O 3.23Å; R205-N220 HydrophobicContact CG-CB 3.89Å; R205-N220 WeakPolarHBondContact CG-O 3.45Å; R205-N220 PolarHBondContact NE-O 3.46Å; N220-D223 WeakPolarHBondContact CA-O 3.18Å; N220-D223 PolarHBondContact N-O 2.68Å; N220-H224 PolarHBondContact N-O 2.85Å
221E95Very high97.5Very high26 Ų2627.7 Ų27.712%0.12113%0.126CC..SBendtrans-84.9-92.3170.9-174.4-85145.300109.8F185 L192 W218 I219 D223F185-E221 HydrophobicContact CB-CG 3.63Å; F185-E221 HydrophobicContact CD1-CB 4.15Å; F185-E221 HydrophobicContact CD1-CG 3.93Å; F185-E221 HydrophobicContact CD2-CB 3.8Å; F185-E221 HydrophobicContact CD2-CG 3.21Å; F185-E221 HydrophobicContact CE1-CB 4.11Å; F185-E221 HydrophobicContact CE1-CG 4.36Å; F185-E221 HydrophobicContact CE2-CB 3.74Å; F185-E221 HydrophobicContact CE2-CG 3.71Å; F185-E221 HydrophobicContact CG-CB 4Å; F185-E221 HydrophobicContact CG-CG 3.33Å; F185-E221 HydrophobicContact CZ-CB 3.9Å; F185-E221 HydrophobicContact CZ-CG 4.25Å; L192-E221 WeakPolarHBondContact CD2-OE1 3.49Å; W218-E221 HydrophobicContact CB-CB 4.31Å; W218-E221 HydrophobicContact CE3-CB 4.47Å; W218-E221 HydrophobicContact CE3-CG 4.09Å; I219-E221 VanDerWaalsContact C-N 3.32Å; I219-E221 PolarHBondContact O-N 3.23Å; E221-D223 PolarHBondContact N-O 3Å
222E92.6Very high97.4Very high36 Ų3629.3 Ų29.317%0.16813%0.132CC..SBendtrans-94.9-38.5172.2-172.9179.9-177.800111.3R63 L192 R226 F267 C268R63-E222 IonicContact NE-OE1 3.6Å; L192-E222 HydrophobicContact CD1-CB 4.43Å; L192-E222 HydrophobicContact CD1-CG 4.23Å; L192-E222 HydrophobicContact CD2-CB 4.38Å; E222-R226 IonicContact OE1-NH2 3.84Å; E222-R226 IonicContact OE2-CZ 3.28Å; E222-R226 IonicContact OE2-NH1 2.71Å; E222-R226 IonicContact OE2-NH2 3.7Å; E222-R226 PolarHBondContact OE2-NH2 3.18Å; E222-F267 HydrophobicContact CG-CD1 3.74Å; E222-F267 HydrophobicContact CG-CE1 4.48Å; E222-F267 WeakPolarHBondContact O-CB 3.23Å; E222-F267 WeakPolarHBondContact O-CD1 3.37Å; E222-F267 WeakPolarHBondContact O-CG 3.46Å; E222-C268 WeakPolarHBondContact OE1-CB 3.37Å
223D97.7Very high97.4Very high2 Ų225 Ų251%0.01112%0.118CC..SBendtrans-118.1170.8173.9-68.2-76.8000110.2N220 E221 I225 R226 T266 F267N220-D223 WeakPolarHBondContact CA-O 3.18Å; N220-D223 PolarHBondContact N-O 2.68Å; E221-D223 PolarHBondContact N-O 3Å; D223-I225 VanDerWaalsContact C-N 3.31Å; D223-I225 PolarHBondContact O-N 3.27Å; D223-R226 IonicContact OD2-CZ 3.65Å; D223-R226 IonicContact OD2-NE 3.46Å; D223-R226 PolarHBondContact OD2-NE 2.64Å; D223-R226 IonicContact OD2-NH2 2.69Å; D223-R226 PolarHBondContact OD2-NH2 2.92Å; D223-T266 VanDerWaalsContact OD1-CA 3.28Å; D223-T266 WeakPolarHBondContact OD1-CA 3.4Å; D223-T266 WeakPolarHBondContact OD1-CB 3.46Å; D223-F267 PolarHBondContact OD1-N 2.72Å
224H98.7Very high97.5Very high3 Ų320.3 Ų20.31%0.01410%0.097CC..SBendtrans-60.1-44.9178.8-62.8-176.2000110.9V128 G132 F133 L145 I149 I219 N220V128-H224 HydrophobicContact CG2-CB 4.45Å; V128-H224 PolarHBondContact N-ND1 2.78Å; G132-H224 PolarHBondContact O-NE2 3.45Å; F133-H224 AromaticContact CD1-CD2 3.8Å; F133-H224 AromaticContact CD1-NE2 3.41Å; F133-H224 WeakPolarHBondContact CD1-NE2 3.26Å; F133-H224 AromaticContact CE1-CD2 3.86Å; F133-H224 AromaticContact CE1-NE2 3.57Å; L145-H224 HydrophobicContact CD2-CB 4.09Å; I149-H224 HydrophobicContact CD1-CB 4.26Å; I219-H224 WeakPolarHBondContact CA-O 3.32Å; N220-H224 PolarHBondContact N-O 2.85Å
225I98.5Very high97.6Very high0 Ų021.6 Ų21.60%010%0.104CC..EExtended strand (participates in β ladder)trans-131.1138.6166.159.9178.3000111.8G125 R126 I149 V217 W218 D223 V227 I247 L250 F256G125-I225 VanDerWaalsContact CA-O 3.29Å; G125-I225 WeakPolarHBondContact CA-O 3.5Å; R126-I225 HydrophobicContact CB-CD1 3.91Å; R126-I225 HydrophobicContact CB-CG1 3.69Å; R126-I225 HydrophobicContact CG-CD1 4.24Å; R126-I225 HydrophobicContact CG-CG1 4.38Å; R126-I225 PolarHBondContact N-O 2.96Å; R126-I225 PolarHBondContact O-N 2.69Å; I149-I225 HydrophobicContact CB-CG2 4.35Å; I149-I225 HydrophobicContact CD1-CG2 3.67Å; I149-I225 HydrophobicContact CG1-CG2 4.02Å; I149-I225 HydrophobicContact CG2-CG2 3.39Å; V217-I225 HydrophobicContact CG1-CB 4.06Å; V217-I225 HydrophobicContact CG1-CG2 4.09Å; W218-I225 VanDerWaalsContact O-CA 3.31Å; W218-I225 WeakPolarHBondContact O-CA 3.39Å; D223-I225 VanDerWaalsContact C-N 3.31Å; D223-I225 PolarHBondContact O-N 3.27Å; I225-V227 HydrophobicContact CB-CG2 4.34Å; I225-V227 HydrophobicContact CD1-CG2 3.78Å; I225-V227 HydrophobicContact CG1-CG2 4.14Å; I225-I247 HydrophobicContact CD1-CD1 4.39Å; I225-L250 HydrophobicContact CD1-CD1 4.44Å; I225-F256 HydrophobicContact CD1-CE1 3.59Å; I225-F256 HydrophobicContact CD1-CZ 3.62Å; I225-F256 HydrophobicContact CG1-CE1 4.4Å
226R98.2Very high97.6Very high6 Ų621.6 Ų21.62%0.02310%0.104CC..EExtended strand (participates in β ladder)trans-112.5111.5157.9-70.4-71.9-178.5110.414.2108.6L124 V217 W218 E222 D223 N271L124-R226 CarbonylContact O-C 3.28Å; L124-R226 WeakPolarHBondContact O-CA 3.31Å; V217-R226 CarbonylContact C-O 3.54Å; V217-R226 VanDerWaalsContact CA-O 3.31Å; V217-R226 WeakPolarHBondContact CA-O 3.29Å; W218-R226 HydrophobicContact CB-CB 4.2Å; W218-R226 HydrophobicContact CE3-CB 4.46Å; W218-R226 PolarHBondContact N-O 2.99Å; W218-R226 PolarHBondContact O-N 3.1Å; E222-R226 IonicContact OE1-NH2 3.84Å; E222-R226 IonicContact OE2-CZ 3.28Å; E222-R226 IonicContact OE2-NH1 2.71Å; E222-R226 IonicContact OE2-NH2 3.7Å; E222-R226 PolarHBondContact OE2-NH2 3.18Å; D223-R226 IonicContact OD2-CZ 3.65Å; D223-R226 IonicContact OD2-NE 3.46Å; D223-R226 PolarHBondContact OD2-NE 2.64Å; D223-R226 IonicContact OD2-NH2 2.69Å; D223-R226 PolarHBondContact OD2-NH2 2.92Å; R226-N271 PolarHBondContact NH2-ND2 2.95Å; R226-N271 VanDerWaalsContact NH2-ND2 3.19Å
227V98.5Very high97.6Very high0 Ų022.8 Ų22.80%011%0.11CC..EExtended strand (participates in β ladder)trans-97.6127.3-179.6-169.20000108.3R123 L124 F215 V217 I225 L243 I247 L250R123-V227 CarbonylContact C-O 3.48Å; R123-V227 WeakPolarHBondContact CA-O 3.38Å; L124-V227 PolarHBondContact N-O 3.16Å; L124-V227 PolarHBondContact O-N 3.1Å; F215-V227 HydrophobicContact CD2-CG1 4.45Å; F215-V227 HydrophobicContact CE2-CG1 3.36Å; F215-V227 HydrophobicContact CZ-CG1 3.52Å; V217-V227 HydrophobicContact CG1-CG2 4.33Å; V217-V227 HydrophobicContact CG2-CG1 4.1Å; V217-V227 HydrophobicContact CG2-CG2 4.36Å; I225-V227 HydrophobicContact CB-CG2 4.34Å; I225-V227 HydrophobicContact CD1-CG2 3.78Å; I225-V227 HydrophobicContact CG1-CG2 4.14Å; V227-L243 HydrophobicContact CB-CD1 4.02Å; V227-L243 HydrophobicContact CG1-CD1 3.51Å; V227-I247 HydrophobicContact CG2-CD1 4.14Å; V227-L250 HydrophobicContact CG2-CD1 4.43Å
228I98.4Very high97.6Very high3 Ų324.2 Ų24.22%0.01512%0.122CC..EExtended strand (participates in β ladder)trans-131.7126.6-168.8-57.5162.9000108.5R121 R123 F215 L216 W218 M230R121-I228 HydrophobicContact CG-CG2 4.02Å; R121-I228 VanDerWaalsContact NE-CG2 3.27Å; R123-I228 HydrophobicContact CB-CG1 4.08Å; F215-I228 CarbonylContact C-O 3.54Å; F215-I228 WeakPolarHBondContact CA-O 3.28Å; L216-I228 HydrophobicContact CB-CB 4.35Å; L216-I228 HydrophobicContact CD1-CB 4.31Å; L216-I228 HydrophobicContact CD1-CG2 4.04Å; L216-I228 PolarHBondContact N-O 3.47Å; L216-I228 PolarHBondContact O-N 3.5Å; W218-I228 HydrophobicContact CD2-CD1 4.08Å; W218-I228 HydrophobicContact CG-CD1 4.46Å; W218-I228 HydrophobicContact CZ2-CD1 4.23Å; I228-M230 HydrophobicContact CG2-CG 4.38Å; I228-M230 HydrophobicContact CG2-SD 4.1Å
229S98.5Very high97.6Very high0 Ų022.2 Ų22.20%011%0.114CC..EExtended strand (participates in β ladder)trans-113.7135.7165.4-178.60000108.1R121 V122 N214 V239 R242R121-S229 CarbonylContact C-O 3.46Å; R121-S229 WeakPolarHBondContact CA-O 3.44Å; V122-S229 PolarHBondContact N-O 3.14Å; V122-S229 PolarHBondContact O-N 3.32Å; N214-S229 WeakPolarHBondContact O-CA 3.44Å; S229-V239 WeakPolarHBondContact CB-O 3.34Å; S229-V239 VanDerWaalsContact O-CG1 3.24Å; S229-V239 WeakPolarHBondContact O-CG1 3.44Å; S229-V239 WeakPolarHBondContact OG-CG1 3.38Å; S229-V239 PolarHBondContact OG-O 3.29Å; S229-R242 PolarHBondContact OG-NH1 3.44Å
230M97.5Very high97.6Very high41 Ų4122.2 Ų22.220%0.20211%0.114CC..EExtended strand (participates in β ladder)trans-157.8151.7-179.459-171.5-74.500112.9T120 R121 N214 L216 I228T120-M230 VanDerWaalsContact O-CA 3.28Å; T120-M230 WeakPolarHBondContact O-CA 3.32Å; R121-M230 HydrophobicContact CB-CB 3.94Å; R121-M230 HydrophobicContact CG-CB 3.99Å; N214-M230 VanDerWaalsContact CA-O 3.27Å; N214-M230 WeakPolarHBondContact CA-O 3.43Å; N214-M230 VanDerWaalsContact CB-O 3.26Å; N214-M230 WeakPolarHBondContact CB-O 3.35Å; N214-M230 PolarHBondContact O-N 2.87Å; L216-M230 HydrophobicContact CD1-CG 3.76Å; L216-M230 HydrophobicContact CD1-SD 3.7Å; I228-M230 HydrophobicContact CG2-CG 4.38Å; I228-M230 HydrophobicContact CG2-SD 4.1Å
231Q96.7Very high97.6Very high49 Ų4924.3 Ų24.323%0.22912%0.123CC..EExtended strand (participates in β ladder)trans-156.7170.9170.967.9-164.248.700111.3S119 T120 V239S119-Q231 WeakPolarHBondContact CA-O 3.42Å; S119-Q231 WeakPolarHBondContact CB-O 3.35Å; T120-Q231 PolarHBondContact N-O 2.87Å; T120-Q231 PolarHBondContact O-N 3.12Å; Q231-V239 HydrophobicContact CB-CG2 4.48Å; Q231-V239 HydrophobicContact CG-CG2 3.55Å
232K95.6Very high97.7Very high165 Ų16523.8 Ų23.872%0.71712%0.12SC*.EExtended strand (participates in β ladder)trans-70.9152.8171.2-64.1-64-175.6-179.60110.8
233G97.1Very high98Very high18 Ų1822.1 Ų22.119%0.18611%0.112CC..SBendtrans79.7-170.9-179.600000114.4V117 V118 S119 T120V117-G233 WeakPolarHBondContact CG1-O 3.34Å; V118-G233 PolarHBondContact O-N 2.99Å; S119-G233 CarbonylContact C-O 3.59Å; T120-G233 WeakPolarHBondContact CB-O 3.34Å; T120-G233 PolarHBondContact N-O 3.38Å; T120-G233 PolarHBondContact OG1-O 3.01Å
234G97.8Very high98.1Very high0 Ų022 Ų220%011%0.111CC..SBendtrans-102.78.7-168.900000116.1D109 L110 N111 T120 L236D109-G234 WeakPolarHBondContact OD1-CA 3.33Å; L110-G234 PolarHBondContact N-O 2.9Å; N111-G234 PolarHBondContact ND2-N 2.86Å; T120-G234 WeakPolarHBondContact OG1-CA 3.23Å; G234-L236 VanDerWaalsContact C-N 3.27Å; G234-L236 PolarHBondContact O-N 2.99Å
235D98.2Very high98Very high51 Ų5125.2 Ų25.227%0.27313%0.129SC..  trans-73.177.5-178.6-178.55.2000111.9I237 A238 V239D235-I237 VanDerWaalsContact C-N 3.29Å; D235-I237 PolarHBondContact O-N 2.94Å; D235-I237 WeakPolarHBondContact OD1-CG2 2.88Å; D235-I237 PolarHBondContact OD1-N 3.21Å; D235-A238 PolarHBondContact OD1-N 3.24Å; D235-A238 VanDerWaalsContact OD1-N 3.11Å; D235-A238 WeakPolarHBondContact OD2-CB 3.44Å; D235-V239 WeakPolarHBondContact O-CG2 3.33Å
236L98.5Very high98Very high1 Ų125.2 Ų25.21%0.00513%0.129CC..Hα-helixtrans-64.1-33178.8178.562.4000112.4F107 T120 V122 G234 V239 Y240 A278 V335 M338 H339F107-L236 HydrophobicContact CD2-CD2 4.43Å; T120-L236 HydrophobicContact CG2-CB 4.14Å; T120-L236 HydrophobicContact CG2-CD1 3.69Å; V122-L236 HydrophobicContact CG2-CD1 3.75Å; G234-L236 VanDerWaalsContact C-N 3.27Å; G234-L236 PolarHBondContact O-N 2.99Å; L236-V239 PolarHBondContact O-N 2.78Å; L236-Y240 VanDerWaalsContact O-CB 3.28Å; L236-Y240 WeakPolarHBondContact O-CB 3.47Å; L236-Y240 PolarHBondContact O-N 3.42Å; L236-A278 HydrophobicContact CD1-CB 4.47Å; L236-V335 HydrophobicContact CD1-CG2 4.11Å; L236-V335 HydrophobicContact CD2-CG2 3.87Å; L236-V335 HydrophobicContact CG-CG2 4.14Å; L236-M338 HydrophobicContact CD1-CE 4.35Å; L236-M338 HydrophobicContact CD2-SD 3.92Å; L236-H339 HydrophobicContact CD2-CB 3.79Å
237I98.2Very high98Very high26 Ų2625 Ų2513%0.13313%0.128CC..Hα-helixtrans-69.9-41.9-173.2-172.663.8000111.3L105 F107 D235 Y240 K241L105-I237 HydrophobicContact CB-CD1 4.18Å; L105-I237 HydrophobicContact CD2-CD1 3.96Å; L105-I237 HydrophobicContact CG-CD1 3.73Å; L105-I237 WeakPolarHBondContact O-CD1 3.3Å; F107-I237 HydrophobicContact CB-CB 4.41Å; F107-I237 HydrophobicContact CD2-CB 4.38Å; F107-I237 HydrophobicContact CD2-CD1 3.78Å; F107-I237 HydrophobicContact CE2-CD1 4.24Å; D235-I237 VanDerWaalsContact C-N 3.29Å; D235-I237 PolarHBondContact O-N 2.94Å; D235-I237 WeakPolarHBondContact OD1-CG2 2.88Å; D235-I237 PolarHBondContact OD1-N 3.21Å; I237-Y240 PolarHBondContact O-N 2.76Å; I237-K241 HydrophobicContact CD1-CD 4.4Å; I237-K241 HydrophobicContact CD1-CG 4.24Å; I237-K241 HydrophobicContact CG1-CD 4.29Å; I237-K241 HydrophobicContact CG1-CG 4.47Å; I237-K241 WeakPolarHBondContact O-CG 3.28Å; I237-K241 PolarHBondContact O-N 2.68Å
238A98.2Very high97.9Very high30 Ų3029.3 Ų29.325%0.24815%0.148CC..Hα-helixtrans-63.3-43.5174.200000111.7D235 Y240 R242D235-A238 PolarHBondContact OD1-N 3.24Å; D235-A238 VanDerWaalsContact OD1-N 3.11Å; D235-A238 WeakPolarHBondContact OD2-CB 3.44Å; A238-Y240 PolarHBondContact O-N 3.19Å; A238-R242 WeakPolarHBondContact O-CB 3.46Å; A238-R242 PolarHBondContact O-N 2.9Å; A238-R242 VanDerWaalsContact O-N 3.12Å
239V98.7Very high97.9Very high0 Ų031.2 Ų31.20%016%0.157CC..Hα-helixtrans-61.3-45.2178.3177.10000111.2T120 V122 S229 Q231 D235 L236 L243T120-V239 HydrophobicContact CG2-CG2 4.42Å; V122-V239 HydrophobicContact CB-CG1 4.09Å; V122-V239 HydrophobicContact CG2-CG1 3.71Å; S229-V239 WeakPolarHBondContact CB-O 3.34Å; S229-V239 VanDerWaalsContact O-CG1 3.24Å; S229-V239 WeakPolarHBondContact O-CG1 3.44Å; S229-V239 WeakPolarHBondContact OG-CG1 3.38Å; S229-V239 PolarHBondContact OG-O 3.29Å; Q231-V239 HydrophobicContact CB-CG2 4.48Å; Q231-V239 HydrophobicContact CG-CG2 3.55Å; D235-V239 WeakPolarHBondContact O-CG2 3.33Å; L236-V239 PolarHBondContact O-N 2.78Å; V239-L243 PolarHBondContact O-N 2.88Å
240Y98.7Very high97.9Very high0 Ų031.2 Ų31.20%016%0.157CC..Hα-helixtrans-68.5-46.5-178.4-179.9-101.7000112.6F99 L102 L105 L236 I237 A238 R242 L243 A244 L276 L332 V335F99-Y240 VanDerWaalsContact CA-OH 3.25Å; F99-Y240 WeakPolarHBondContact CA-OH 3.36Å; F99-Y240 HydrophobicContact CD1-CE1 4.45Å; F99-Y240 AromaticContact CD1-CE2 3.99Å; F99-Y240 HydrophobicContact CD1-CE2 3.99Å; F99-Y240 AromaticContact CD1-CZ 3.7Å; F99-Y240 WeakPolarHBondContact CD1-OH 3.48Å; F99-Y240 HydrophobicContact CE1-CE2 4.46Å; F99-Y240 WeakPolarHBondContact O-CE1 3.44Å; F99-Y240 PolarHBondContact O-OH 3.27Å; L102-Y240 HydrophobicContact CD2-CD1 4.46Å; L102-Y240 HydrophobicContact CD2-CE1 4.04Å; L105-Y240 HydrophobicContact CD2-CD1 3.69Å; L105-Y240 HydrophobicContact CD2-CE1 3.43Å; L105-Y240 VanDerWaalsContact CD2-CE1 3.43Å; L236-Y240 VanDerWaalsContact O-CB 3.28Å; L236-Y240 WeakPolarHBondContact O-CB 3.47Å; L236-Y240 PolarHBondContact O-N 3.42Å; I237-Y240 PolarHBondContact O-N 2.76Å; A238-Y240 PolarHBondContact O-N 3.19Å; Y240-R242 PolarHBondContact O-N 2.95Å; Y240-L243 PolarHBondContact O-N 2.59Å; Y240-A244 WeakPolarHBondContact O-CB 3.38Å; Y240-A244 PolarHBondContact O-N 3.02Å; Y240-L276 HydrophobicContact CD2-CD1 4.47Å; Y240-L276 HydrophobicContact CE2-CD1 3.87Å; Y240-L332 PolarHBondContact OH-N 2.99Å; Y240-V335 HydrophobicContact CD2-CB 3.94Å; Y240-V335 HydrophobicContact CD2-CG1 3.95Å; Y240-V335 HydrophobicContact CD2-CG2 3.78Å; Y240-V335 HydrophobicContact CE1-CG1 4.21Å; Y240-V335 HydrophobicContact CE2-CB 3.79Å; Y240-V335 HydrophobicContact CE2-CG1 3.54Å; Y240-V335 HydrophobicContact CE2-CG2 4.17Å; Y240-V335 HydrophobicContact CG-CG1 4.43Å; Y240-V335 HydrophobicContact CG-CG2 4.24Å
241K98.2Very high97.9Very high54 Ų5432 Ų3224%0.23517%0.167CC..Hα-helixtrans-60.2-47.4177.9-71.6-174.8-172.2-171.60111.4L102 L105 I237 L243 A244 D245L102-K241 HydrophobicContact CD2-CG 4.44Å; L102-K241 WeakPolarHBondContact O-CD 3.39Å; L102-K241 WeakPolarHBondContact O-CE 3.43Å; L102-K241 PolarHBondContact O-NZ 2.94Å; L105-K241 WeakPolarHBondContact O-CE 3.39Å; L105-K241 PolarHBondContact O-NZ 3.01Å; I237-K241 HydrophobicContact CD1-CD 4.4Å; I237-K241 HydrophobicContact CD1-CG 4.24Å; I237-K241 HydrophobicContact CG1-CD 4.29Å; I237-K241 HydrophobicContact CG1-CG 4.47Å; I237-K241 WeakPolarHBondContact O-CG 3.28Å; I237-K241 PolarHBondContact O-N 2.68Å; K241-L243 PolarHBondContact O-N 3.24Å; K241-A244 PolarHBondContact O-N 3.21Å; K241-A244 VanDerWaalsContact O-N 3.08Å; K241-D245 PolarHBondContact O-N 2.99Å
242R98.4Very high97.9Very high15 Ų1538 Ų386%0.05719%0.192CC..Hα-helixtrans-54.3-40.2175.7-173.9-173.6-48.4124.910.6112.2E159 Y160 N214 S229 A238 Y240 A246E159-R242 WeakPolarHBondContact OE1-CD 3.49Å; E159-R242 IonicContact OE1-CZ 3.47Å; E159-R242 IonicContact OE1-NE 3.59Å; E159-R242 PolarHBondContact OE1-NE 2.81Å; E159-R242 IonicContact OE1-NH2 2.76Å; Y160-R242 HydrophobicContact CE1-CG 3.68Å; Y160-R242 WeakPolarHBondContact CE1-O 3.2Å; Y160-R242 PolarHBondContact OH-O 2.83Å; N214-R242 VanDerWaalsContact CG-NH1 3.32Å; N214-R242 PolarHBondContact ND2-NE 3.11Å; N214-R242 PolarHBondContact ND2-NH1 3.05Å; N214-R242 PolarHBondContact ND2-NH2 3.13Å; N214-R242 PolarHBondContact O-NH1 3.33Å; S229-R242 PolarHBondContact OG-NH1 3.44Å; A238-R242 WeakPolarHBondContact O-CB 3.46Å; A238-R242 PolarHBondContact O-N 2.9Å; A238-R242 VanDerWaalsContact O-N 3.12Å; Y240-R242 PolarHBondContact O-N 2.95Å; R242-A246 WeakPolarHBondContact O-CB 3.35Å; R242-A246 PolarHBondContact O-N 2.95Å
243L98.6Very high97.9Very high0 Ų033.5 Ų33.50%018%0.181CC..Hα-helixtrans-71.5-43.9177.9-172.268.7000112.4V122 L124 V227 V239 Y240 K241 I247V122-L243 HydrophobicContact CB-CD2 3.75Å; V122-L243 HydrophobicContact CG1-CD2 3.37Å; L124-L243 HydrophobicContact CD1-CD1 4.49Å; L124-L243 HydrophobicContact CD1-CD2 3.85Å; L124-L243 HydrophobicContact CD1-CG 3.93Å; L124-L243 HydrophobicContact CG-CD2 3.86Å; L124-L243 HydrophobicContact CG-CG 4.42Å; V227-L243 HydrophobicContact CB-CD1 4.02Å; V227-L243 HydrophobicContact CG1-CD1 3.51Å; V239-L243 PolarHBondContact O-N 2.88Å; Y240-L243 PolarHBondContact O-N 2.59Å; K241-L243 PolarHBondContact O-N 3.24Å; L243-I247 WeakPolarHBondContact O-CG2 3.36Å; L243-I247 PolarHBondContact O-N 2.71Å; L243-I247 VanDerWaalsContact O-N 3.08Å
244A98.2Very high98Very high0 Ų032.8 Ų32.80%017%0.173CC..Hα-helixtrans-65.2-45-176.900000111.9F99 L102 Y240 K241 I247 Q248F99-A244 HydrophobicContact CB-CB 4.08Å; F99-A244 HydrophobicContact CD1-CB 3.47Å; F99-A244 VanDerWaalsContact CD1-CB 3.47Å; F99-A244 HydrophobicContact CE1-CB 4.09Å; F99-A244 HydrophobicContact CG-CB 3.87Å; L102-A244 HydrophobicContact CD1-CB 3.7Å; L102-A244 HydrophobicContact CD2-CB 3.88Å; L102-A244 HydrophobicContact CG-CB 4.45Å; Y240-A244 WeakPolarHBondContact O-CB 3.38Å; Y240-A244 PolarHBondContact O-N 3.02Å; K241-A244 PolarHBondContact O-N 3.21Å; K241-A244 VanDerWaalsContact O-N 3.08Å; A244-I247 WeakPolarHBondContact O-CG2 3.47Å; A244-I247 PolarHBondContact O-N 3.02Å; A244-Q248 WeakPolarHBondContact O-CB 3.49Å; A244-Q248 VanDerWaalsContact O-CG 3.24Å; A244-Q248 WeakPolarHBondContact O-CG 3.24Å; A244-Q248 PolarHBondContact O-N 3.28Å
245D97.7Very high98Very high71 Ų7139.5 Ų39.538%0.3820%0.202SC..Hα-helixtrans-62.8-46.7177.8-73.2-33.9000110.9L102 Y160 K241 I247 Q248 E249L102-D245 WeakPolarHBondContact CD1-OD1 3.48Å; Y160-D245 VanDerWaalsContact OH-CB 3.24Å; Y160-D245 WeakPolarHBondContact OH-CB 3.43Å; K241-D245 PolarHBondContact O-N 2.99Å; D245-I247 PolarHBondContact O-N 3.2Å; D245-Q248 PolarHBondContact O-N 2.9Å; D245-E249 PolarHBondContact O-N 3.45Å
246A98.2Very high98Very high0 Ų038 Ų380%019%0.193CC..Hα-helixtrans-59-45.917800000112.7Y160 F215 R242 E249 L250Y160-A246 HydrophobicContact CD1-CB 4.08Å; Y160-A246 HydrophobicContact CE1-CB 3.58Å; Y160-A246 HydrophobicContact CE2-CB 4.21Å; Y160-A246 PolarHBondContact OH-N 2.8Å; F215-A246 HydrophobicContact CD2-CB 4.29Å; F215-A246 HydrophobicContact CE2-CB 3.36Å; F215-A246 HydrophobicContact CZ-CB 3.55Å; R242-A246 WeakPolarHBondContact O-CB 3.35Å; R242-A246 PolarHBondContact O-N 2.95Å; A246-E249 PolarHBondContact O-N 2.92Å; A246-L250 WeakPolarHBondContact O-CG 3.5Å; A246-L250 PolarHBondContact O-N 2.74Å
247I98.2Very high98.1Very high2 Ų238.2 Ų38.21%0.0120%0.195CC..Hα-helixtrans-72.5-31.3-177.3-161.959.9000112F99 L124 R126 I225 V227 L243 A244 D245 L250 S251 F256F99-I247 HydrophobicContact CE1-CG2 4.32Å; F99-I247 HydrophobicContact CE2-CG2 3.96Å; F99-I247 HydrophobicContact CZ-CG2 3.66Å; L124-I247 HydrophobicContact CD1-CB 4.28Å; L124-I247 HydrophobicContact CD1-CG1 4.26Å; L124-I247 HydrophobicContact CD1-CG2 4.01Å; R126-I247 HydrophobicContact CG-CD1 3.99Å; I225-I247 HydrophobicContact CD1-CD1 4.39Å; V227-I247 HydrophobicContact CG2-CD1 4.14Å; L243-I247 WeakPolarHBondContact O-CG2 3.36Å; L243-I247 PolarHBondContact O-N 2.71Å; L243-I247 VanDerWaalsContact O-N 3.08Å; A244-I247 WeakPolarHBondContact O-CG2 3.47Å; A244-I247 PolarHBondContact O-N 3.02Å; D245-I247 PolarHBondContact O-N 3.2Å; I247-L250 HydrophobicContact CD1-CB 4.42Å; I247-L250 HydrophobicContact CD1-CD1 4.23Å; I247-S251 WeakPolarHBondContact O-CB 3.01Å; I247-S251 PolarHBondContact O-N 2.93Å; I247-S251 PolarHBondContact O-OG 3.4Å; I247-F256 HydrophobicContact CD1-CE2 3.88Å; I247-F256 HydrophobicContact CD1-CZ 4.1Å
248Q97Very high98.1Very high89 Ų8939.9 Ų39.942%0.41620%0.201SC..Hα-helixtrans-67.4-37.7172.2-73.4177.914.100111.7A244 D245A244-Q248 WeakPolarHBondContact O-CB 3.49Å; A244-Q248 VanDerWaalsContact O-CG 3.24Å; A244-Q248 WeakPolarHBondContact O-CG 3.24Å; A244-Q248 PolarHBondContact O-N 3.28Å; D245-Q248 PolarHBondContact O-N 2.9Å
249E97.6Very high98.1Very high43 Ų4340 Ų4020%0.20120%0.198CC..Hα-helixtrans-66.9-48.1173.5-166.4173-145.200111.4L156 S157 D245 A246 S251 K252L156-E249 HydrophobicContact CD2-CB 3.79Å; L156-E249 HydrophobicContact CD2-CG 3.71Å; L156-E249 WeakPolarHBondContact CD2-OE2 3.5Å; S157-E249 WeakPolarHBondContact CB-OE1 3.34Å; S157-E249 PolarHBondContact N-OE1 3.29Å; S157-E249 PolarHBondContact N-OE2 2.79Å; S157-E249 PolarHBondContact OG-OE1 2.95Å; S157-E249 PolarHBondContact OG-OE2 3.09Å; D245-E249 PolarHBondContact O-N 3.45Å; A246-E249 PolarHBondContact O-N 2.92Å; E249-S251 PolarHBondContact O-N 3.37Å; E249-K252 WeakPolarHBondContact O-CB 3.44Å; E249-K252 PolarHBondContact O-N 3.41Å
250L98.2Very high98.1Very high1 Ų145 Ų451%0.00523%0.225CC..Hα-helixtrans-58-35.5175.6-74.5177.1000112.9A152 L153 L156 I225 V227 A246 I247 K252 S253 L254 F256A152-L250 HydrophobicContact CB-CD2 4.03Å; L153-L250 HydrophobicContact CD2-CD1 4.09Å; L153-L250 HydrophobicContact CD2-CD2 3.98Å; L153-L250 HydrophobicContact CG-CD2 4.49Å; L156-L250 HydrophobicContact CD1-CD2 4.17Å; L156-L250 HydrophobicContact CD1-CG 4.35Å; L156-L250 HydrophobicContact CD2-CD2 3.87Å; L156-L250 HydrophobicContact CD2-CG 3.94Å; L156-L250 HydrophobicContact CG-CD2 4.14Å; I225-L250 HydrophobicContact CD1-CD1 4.44Å; V227-L250 HydrophobicContact CG2-CD1 4.43Å; A246-L250 WeakPolarHBondContact O-CG 3.5Å; A246-L250 PolarHBondContact O-N 2.74Å; I247-L250 HydrophobicContact CD1-CB 4.42Å; I247-L250 HydrophobicContact CD1-CD1 4.23Å; L250-K252 PolarHBondContact O-N 3.27Å; L250-K252 VanDerWaalsContact O-N 3.16Å; L250-S253 PolarHBondContact O-N 3.29Å; L250-L254 HydrophobicContact CD2-CD1 4.45Å; L250-L254 PolarHBondContact O-N 3.31Å; L250-F256 HydrophobicContact CB-CE2 4.37Å; L250-F256 HydrophobicContact CB-CZ 4.21Å
251S97.6Very high98Very high58 Ų5847.4 Ų47.441%0.40623%0.234SC..Hα-helixtrans-65.2-15.5179.7-61.40000113.5I247 E249 F256I247-S251 WeakPolarHBondContact O-CB 3.01Å; I247-S251 PolarHBondContact O-N 2.93Å; I247-S251 PolarHBondContact O-OG 3.4Å; E249-S251 PolarHBondContact O-N 3.37Å; S251-F256 WeakPolarHBondContact OG-CE2 3.49Å
252K96.8Very high98.1Very high174 Ų17444.9 Ų44.976%0.75722%0.223SC*.Hα-helixtrans-77.4-27.2173.2-59.7172-173.5169.90112.2E249 L250E249-K252 WeakPolarHBondContact O-CB 3.44Å; E249-K252 PolarHBondContact O-N 3.41Å; L250-K252 PolarHBondContact O-N 3.27Å; L250-K252 VanDerWaalsContact O-N 3.16Å
253S96.7Very high98.1Very high71 Ų7144.1 Ų44.150%0.49722%0.22SC..Hα-helixtrans-106.7-24.7-174.3-55.40000112.9L250L250-S253 PolarHBondContact O-N 3.29Å
254L98.2Very high98.1Very high3 Ų345 Ų452%0.01622%0.224CC..SBendtrans-121.9125.2-178.4-61.5176.4000110.1K148 I149 A152 L250 F256K148-L254 HydrophobicContact CD-CD2 4.46Å; K148-L254 HydrophobicContact CG-CD2 3.88Å; I149-L254 HydrophobicContact CG1-CD1 4.31Å; A152-L254 HydrophobicContact CB-CD1 3.96Å; A152-L254 HydrophobicContact CB-CD2 4.1Å; A152-L254 HydrophobicContact CB-CG 3.86Å; L250-L254 HydrophobicContact CD2-CD1 4.45Å; L250-L254 PolarHBondContact O-N 3.31Å; L254-F256 HydrophobicContact CB-CD1 4.35Å; L254-F256 HydrophobicContact CB-CE1 3.72Å; L254-F256 HydrophobicContact CB-CE2 4.37Å; L254-F256 HydrophobicContact CB-CZ 3.73Å; L254-F256 HydrophobicContact CD1-CE1 3.99Å; L254-F256 HydrophobicContact CD1-CZ 3.96Å; L254-F256 HydrophobicContact CG-CZ 4.49Å; L254-F256 PolarHBondContact O-N 2.65Å
255K98.6Very high98.1Very high141 Ų14145.4 Ų45.461%0.61323%0.226SC*.  trans-83.8109.4173-165176176.9-145.10109.5E129E129-K255 VanDerWaalsContact CD-CE 3.46Å; E129-K255 HydrophobicContact CG-CG 4.29Å; E129-K255 PolarHBondContact N-O 2.92Å; E129-K255 VanDerWaalsContact OE1-CE 3.25Å; E129-K255 WeakPolarHBondContact OE1-CE 3.46Å; E129-K255 IonicContact OE1-NZ 3.46Å; E129-K255 PolarHBondContact OE1-NZ 2.74Å; E129-K255 WeakPolarHBondContact OE2-CD 3.4Å; E129-K255 WeakPolarHBondContact OE2-CE 3.22Å; E129-K255 IonicContact OE2-NZ 2.68Å; E129-K255 PolarHBondContact OE2-NZ 3.43Å
256F98.8Very high98.2Very high19 Ų1942 Ų428%0.08321%0.208CC..BIsolated β-bridgetrans-90.7136.3-179.1-61.4-52.9000112R126 T127 V128 I225 I247 L250 S251 L254 F258 F264R126-F256 HydrophobicContact CB-CB 4.45Å; R126-F256 HydrophobicContact CB-CD1 3.44Å; R126-F256 VanDerWaalsContact CB-CD1 3.44Å; R126-F256 HydrophobicContact CB-CD2 4.44Å; R126-F256 HydrophobicContact CB-CE1 3.65Å; R126-F256 HydrophobicContact CB-CG 3.88Å; R126-F256 HydrophobicContact CB-CZ 4.23Å; R126-F256 HydrophobicContact CG-CD1 3.97Å; R126-F256 HydrophobicContact CG-CD2 4.06Å; R126-F256 HydrophobicContact CG-CE1 4.08Å; R126-F256 HydrophobicContact CG-CE2 4.17Å; R126-F256 HydrophobicContact CG-CG 3.96Å; R126-F256 HydrophobicContact CG-CZ 4.17Å; T127-F256 CarbonylContact O-C 3.2Å; T127-F256 VanDerWaalsContact O-CA 3.29Å; T127-F256 WeakPolarHBondContact O-CA 3.45Å; V128-F256 HydrophobicContact CG2-CD1 4.31Å; V128-F256 HydrophobicContact CG2-CE1 4.15Å; I225-F256 HydrophobicContact CD1-CE1 3.59Å; I225-F256 HydrophobicContact CD1-CZ 3.62Å; I225-F256 HydrophobicContact CG1-CE1 4.4Å; I247-F256 HydrophobicContact CD1-CE2 3.88Å; I247-F256 HydrophobicContact CD1-CZ 4.1Å; L250-F256 HydrophobicContact CB-CE2 4.37Å; L250-F256 HydrophobicContact CB-CZ 4.21Å; S251-F256 WeakPolarHBondContact OG-CE2 3.49Å; L254-F256 HydrophobicContact CB-CD1 4.35Å; L254-F256 HydrophobicContact CB-CE1 3.72Å; L254-F256 HydrophobicContact CB-CE2 4.37Å; L254-F256 HydrophobicContact CB-CZ 3.73Å; L254-F256 HydrophobicContact CD1-CE1 3.99Å; L254-F256 HydrophobicContact CD1-CZ 3.96Å; L254-F256 HydrophobicContact CG-CZ 4.49Å; L254-F256 PolarHBondContact O-N 2.65Å; F256-F258 PolarHBondContact O-N 2.87Å; F256-F264 HydrophobicContact CB-CD1 4.31Å; F256-F264 HydrophobicContact CB-CE1 4.18Å
257A98.7Very high98.2Very high5 Ų542.1 Ų42.14%0.04121%0.208CC..  trans-67.7115.5177.800000110.6L67 T127 E129 I265L67-A257 HydrophobicContact CD1-CB 4.39Å; L67-A257 HydrophobicContact CD2-CB 4.41Å; T127-A257 HydrophobicContact CG2-CB 4.15Å; T127-A257 PolarHBondContact O-N 2.92Å; E129-A257 HydrophobicContact CG-CB 4.06Å; A257-I265 HydrophobicContact CB-CB 4.24Å; A257-I265 HydrophobicContact CB-CG1 4.32Å; A257-I265 PolarHBondContact O-N 3.11Å; A257-I265 VanDerWaalsContact O-N 3.07Å
258F98.7Very high98.2Very high61 Ų6142.2 Ų42.227%0.26821%0.209SC..EExtended strand (participates in β ladder)trans-126.9137.6176.9-175.6-82.5000109.7K96 F256 G263 F264K96-F258 HydrophobicContact CD-CE1 4.27Å; K96-F258 HydrophobicContact CD-CZ 4.45Å; F256-F258 PolarHBondContact O-N 2.87Å; F258-G263 WeakPolarHBondContact CA-O 3.14Å; F258-F264 HydrophobicContact CB-CD1 4.34Å; F258-F264 HydrophobicContact CB-CE1 4.43Å; F258-F264 AromaticContact CD2-CD1 3.92Å; F258-F264 HydrophobicContact CD2-CD1 3.92Å; F258-F264 HydrophobicContact CD2-CD2 4.03Å; F258-F264 AromaticContact CD2-CE1 3.93Å; F258-F264 HydrophobicContact CD2-CE1 3.93Å; F258-F264 HydrophobicContact CD2-CE2 4.02Å; F258-F264 AromaticContact CD2-CG 3.98Å; F258-F264 HydrophobicContact CD2-CG 3.98Å; F258-F264 AromaticContact CD2-CZ 3.99Å; F258-F264 HydrophobicContact CD2-CZ 3.99Å; F258-F264 HydrophobicContact CE2-CD2 4.3Å; F258-F264 HydrophobicContact CE2-CE2 4.23Å
259N98.5Very high98.3Very high32 Ų3238 Ų3817%0.17119%0.189CC..EExtended strand (participates in β ladder)trans-123.2136.3178.7175.4-72.2000109.4E71 R261 L262 G263 I265E71-N259 PolarHBondContact OE1-ND2 3.08Å; N259-R261 VanDerWaalsContact C-N 3.26Å; N259-R261 PolarHBondContact O-N 2.95Å; N259-R261 WeakPolarHBondContact OD1-CA 3.44Å; N259-R261 VanDerWaalsContact OD1-CB 3.31Å; N259-R261 WeakPolarHBondContact OD1-CB 3.46Å; N259-R261 PolarHBondContact OD1-N 3.49Å; N259-L262 HydrophobicContact CB-CB 4.16Å; N259-L262 PolarHBondContact O-N 2.88Å; N259-L262 PolarHBondContact OD1-N 2.85Å; N259-G263 PolarHBondContact N-O 3.4Å; N259-G263 VanDerWaalsContact O-CA 3.3Å; N259-G263 WeakPolarHBondContact O-CA 3.35Å; N259-G263 PolarHBondContact O-N 3.38Å; N259-I265 HydrophobicContact CB-CD1 3.73Å; N259-I265 HydrophobicContact CB-CG1 4.34Å
260D97.7Very high98.3Very high107 Ų10736.8 Ų36.857%0.57219%0.186SC*.THydrogen-bonded Turntrans-66.7-23.6-174.8-71.2-28.9000114.2K96K96-D260 IonicContact NZ-OD1 2.65Å; K96-D260 PolarHBondContact NZ-OD1 2.64Å
261R98.3Very high98.3Very high50 Ų5037.2 Ų37.219%0.18919%0.188CC..THydrogen-bonded Turntrans-84.8-41.8172.8-77.7154.126.889.3-0111.9E71 R74 D78 I92 Q93 H94 N259E71-R261 IonicContact OE1-NE 2.96Å; R74-R261 VanDerWaalsContact NE-CZ 3.28Å; R74-R261 VanDerWaalsContact NH2-CZ 3.29Å; D78-R261 IonicContact OD1-CZ 3.1Å; D78-R261 IonicContact OD1-NH1 3.73Å; D78-R261 IonicContact OD1-NH2 3.34Å; D78-R261 PolarHBondContact OD1-NH2 3.4Å; D78-R261 IonicContact OD2-CZ 3.03Å; D78-R261 IonicContact OD2-NH1 2.84Å; D78-R261 PolarHBondContact OD2-NH1 2.91Å; D78-R261 IonicContact OD2-NH2 3.9Å; D78-R261 PolarHBondContact OD2-NH2 3.35Å; I92-R261 HydrophobicContact CG2-CB 4.45Å; I92-R261 WeakPolarHBondContact CG2-O 3.25Å; Q93-R261 CarbonylContact C-O 3.59Å; Q93-R261 VanDerWaalsContact C-O 3.28Å; H94-R261 PolarHBondContact N-O 3.36Å; N259-R261 VanDerWaalsContact C-N 3.26Å; N259-R261 PolarHBondContact O-N 2.95Å; N259-R261 WeakPolarHBondContact OD1-CA 3.44Å; N259-R261 VanDerWaalsContact OD1-CB 3.31Å; N259-R261 WeakPolarHBondContact OD1-CB 3.46Å; N259-R261 PolarHBondContact OD1-N 3.49Å
262L98.7Very high98.4Very high0 Ų034.5 Ų34.50%017%0.169CC..THydrogen-bonded Turntrans-104.8-7.7-165.8-54.5-177000114.6Y70 I81 I92 N259 I265 L272 G273 L327Y70-L262 HydrophobicContact CD1-CD1 4.11Å; Y70-L262 HydrophobicContact CG-CD1 3.89Å; I81-L262 HydrophobicContact CD1-CD1 4.35Å; I81-L262 HydrophobicContact CD1-CD2 3.99Å; I81-L262 HydrophobicContact CG2-CD2 4.41Å; I92-L262 HydrophobicContact CG2-CD2 3.63Å; N259-L262 HydrophobicContact CB-CB 4.16Å; N259-L262 PolarHBondContact O-N 2.88Å; N259-L262 PolarHBondContact OD1-N 2.85Å; L262-I265 HydrophobicContact CB-CD1 4.01Å; L262-I265 HydrophobicContact CD1-CD1 4.14Å; L262-L272 HydrophobicContact CB-CD2 4.45Å; L262-L272 HydrophobicContact CD1-CD1 4.47Å; L262-L272 HydrophobicContact CD2-CD1 4.45Å; L262-G273 VanDerWaalsContact O-CA 3.23Å; L262-G273 WeakPolarHBondContact O-CA 3.48Å; L262-G273 PolarHBondContact O-N 3.44Å; L262-L327 WeakPolarHBondContact O-CD1 3.31Å
263G98.7Very high98.4Very high0 Ų026.2 Ų26.20%013%0.133CC..EExtended strand (participates in β ladder)trans67.5-143.7-169.800000112.6H94 F258 N259 I265H94-G263 WeakPolarHBondContact CD2-CA 3.43Å; F258-G263 WeakPolarHBondContact CA-O 3.14Å; N259-G263 PolarHBondContact N-O 3.4Å; N259-G263 VanDerWaalsContact O-CA 3.3Å; N259-G263 WeakPolarHBondContact O-CA 3.35Å; N259-G263 PolarHBondContact O-N 3.38Å; G263-I265 PolarHBondContact O-N 3.44Å
264F98.9Very high98.5Very high19 Ų1922.8 Ų22.88%0.08311%0.109CC..EExtended strand (participates in β ladder)trans-67131.3175.6-68.4-76.4000110.6R126 F256 F258 G273 T275R126-F264 VanDerWaalsContact CZ-CE2 3.45Å; F256-F264 HydrophobicContact CB-CD1 4.31Å; F256-F264 HydrophobicContact CB-CE1 4.18Å; F258-F264 HydrophobicContact CB-CD1 4.34Å; F258-F264 HydrophobicContact CB-CE1 4.43Å; F258-F264 AromaticContact CD2-CD1 3.92Å; F258-F264 HydrophobicContact CD2-CD1 3.92Å; F258-F264 HydrophobicContact CD2-CD2 4.03Å; F258-F264 AromaticContact CD2-CE1 3.93Å; F258-F264 HydrophobicContact CD2-CE1 3.93Å; F258-F264 HydrophobicContact CD2-CE2 4.02Å; F258-F264 AromaticContact CD2-CG 3.98Å; F258-F264 HydrophobicContact CD2-CG 3.98Å; F258-F264 AromaticContact CD2-CZ 3.99Å; F258-F264 HydrophobicContact CD2-CZ 3.99Å; F258-F264 HydrophobicContact CE2-CD2 4.3Å; F258-F264 HydrophobicContact CE2-CE2 4.23Å; F264-G273 WeakPolarHBondContact CD2-O 3.41Å; F264-G273 PolarHBondContact N-O 3.22Å; F264-T275 HydrophobicContact CB-CG2 3.64Å
265I98.8Very high98.6Very high7 Ų722.8 Ų22.84%0.03611%0.109CC..  trans-77.1139.6178.9-56.8-57.5000109.7L67 Y70 T127 A257 N259 L262 G263 L272L67-I265 HydrophobicContact CB-CG2 3.84Å; Y70-I265 HydrophobicContact CD2-CD1 4.38Å; Y70-I265 HydrophobicContact CD2-CG2 3.8Å; Y70-I265 HydrophobicContact CE2-CG2 3.69Å; T127-I265 WeakPolarHBondContact CB-O 3.41Å; T127-I265 PolarHBondContact OG1-O 3.43Å; A257-I265 HydrophobicContact CB-CB 4.24Å; A257-I265 HydrophobicContact CB-CG1 4.32Å; A257-I265 PolarHBondContact O-N 3.11Å; A257-I265 VanDerWaalsContact O-N 3.07Å; N259-I265 HydrophobicContact CB-CD1 3.73Å; N259-I265 HydrophobicContact CB-CG1 4.34Å; L262-I265 HydrophobicContact CB-CD1 4.01Å; L262-I265 HydrophobicContact CD1-CD1 4.14Å; G263-I265 PolarHBondContact O-N 3.44Å; I265-L272 HydrophobicContact CD1-CD2 4.37Å
266T98.8Very high98.6Very high0 Ų016.1 Ų16.10%08%0.08CC..  trans-136.3160.9178.8540000110.7Y70 D223 C268 N271 L272 T275Y70-T266 VanDerWaalsContact CE2-O 3.3Å; Y70-T266 WeakPolarHBondContact CE2-O 3.26Å; Y70-T266 PolarHBondContact OH-O 2.6Å; D223-T266 VanDerWaalsContact OD1-CA 3.28Å; D223-T266 WeakPolarHBondContact OD1-CA 3.4Å; D223-T266 WeakPolarHBondContact OD1-CB 3.46Å; T266-C268 VanDerWaalsContact C-N 3.35Å; T266-C268 PolarHBondContact O-N 3.44Å; T266-C268 PolarHBondContact OG1-O 3.22Å; T266-N271 HydrophobicContact CG2-CB 3.97Å; T266-N271 WeakPolarHBondContact CG2-O 3.45Å; T266-N271 VanDerWaalsContact OG1-C 3.28Å; T266-L272 PolarHBondContact OG1-N 2.84Å; T266-T275 HydrophobicContact CG2-CG2 3.55Å
267F98.5Very high98.6Very high3 Ų315.5 Ų15.51%0.0138%0.077CC..SBendtrans-64.3-37.2178.9176.9-117.3000113.4R63 S64 F133 L192 A195 E222 D223R63-F267 WeakPolarHBondContact CA-O 3.27Å; R63-F267 HydrophobicContact CB-CD1 4.32Å; R63-F267 HydrophobicContact CB-CD2 4.25Å; R63-F267 HydrophobicContact CB-CE1 3.8Å; R63-F267 HydrophobicContact CB-CE2 3.72Å; R63-F267 HydrophobicContact CB-CZ 3.49Å; R63-F267 VanDerWaalsContact CB-CZ 3.49Å; R63-F267 VanDerWaalsContact CD-CE1 3.42Å; R63-F267 HydrophobicContact CG-CD1 4.05Å; R63-F267 HydrophobicContact CG-CE1 3.44Å; R63-F267 VanDerWaalsContact CG-CE1 3.44Å; R63-F267 HydrophobicContact CG-CE2 4.32Å; R63-F267 HydrophobicContact CG-CZ 3.62Å; S64-F267 PolarHBondContact N-O 3.09Å; S64-F267 VanDerWaalsContact O-CD2 3.28Å; S64-F267 WeakPolarHBondContact O-CD2 3.28Å; S64-F267 VanDerWaalsContact O-CE2 3.26Å; S64-F267 WeakPolarHBondContact O-CE2 3.35Å; S64-F267 WeakPolarHBondContact OG-CA 3.26Å; S64-F267 PolarHBondContact OG-O 3.22Å; S64-F267 VanDerWaalsContact OG-O 3.08Å; F133-F267 HydrophobicContact CB-CD2 3.68Å; F133-F267 HydrophobicContact CB-CE2 4Å; F133-F267 HydrophobicContact CD1-CB 4.16Å; F133-F267 HydrophobicContact CD1-CD2 4.19Å; F133-F267 HydrophobicContact CD2-CB 4.48Å; F133-F267 AromaticContact CD2-CD2 3.83Å; F133-F267 HydrophobicContact CD2-CD2 3.83Å; F133-F267 HydrophobicContact CE1-CB 4.09Å; F133-F267 HydrophobicContact CE2-CB 4.44Å; F133-F267 HydrophobicContact CG-CB 4.37Å; F133-F267 AromaticContact CG-CD2 3.66Å; F133-F267 HydrophobicContact CG-CD2 3.66Å; F133-F267 HydrophobicContact CG-CE2 4.46Å; F133-F267 HydrophobicContact CG-CG 4.46Å; F133-F267 HydrophobicContact CZ-CB 4.24Å; L192-F267 HydrophobicContact CD1-CD1 4.27Å; L192-F267 HydrophobicContact CD1-CE1 3.6Å; L192-F267 HydrophobicContact CD1-CZ 4.39Å; A195-F267 HydrophobicContact CB-CE1 4.08Å; A195-F267 HydrophobicContact CB-CZ 3.62Å; E222-F267 HydrophobicContact CG-CD1 3.74Å; E222-F267 HydrophobicContact CG-CE1 4.48Å; E222-F267 WeakPolarHBondContact O-CB 3.23Å; E222-F267 WeakPolarHBondContact O-CD1 3.37Å; E222-F267 WeakPolarHBondContact O-CG 3.46Å; D223-F267 PolarHBondContact OD1-N 2.72Å
268C98.4Very high98.5Very high4 Ų415.3 Ų15.33%0.0278%0.075CC..SBendtrans-104.2133.6176.5-171.30000110.8R63 E222 T266 S270 N271R63-C268 VanDerWaalsContact CZ-SG 3.56Å; E222-C268 WeakPolarHBondContact OE1-CB 3.37Å; T266-C268 VanDerWaalsContact C-N 3.35Å; T266-C268 PolarHBondContact O-N 3.44Å; T266-C268 PolarHBondContact OG1-O 3.22Å; C268-S270 PolarHBondContact O-N 3.11Å; C268-S270 VanDerWaalsContact O-N 3.1Å; C268-S270 PolarHBondContact SG-OG 3.4Å; C268-N271 PolarHBondContact O-N 2.9Å; C268-N271 VanDerWaalsContact O-N 3.16Å
269P98.7Very high98.5Very high0 Ų012.5 Ų12.50%06%0.063CC..G310 helixtrans-60.2-21.6179.1-24.332.9000114.6P62 Y70 F77 I81 H85 N271 L272P62-P269 HydrophobicContact CG-CG 4.2Å; P62-P269 WeakPolarHBondContact O-CD 3.33Å; Y70-P269 HydrophobicContact CE1-CB 4.37Å; Y70-P269 HydrophobicContact CE1-CG 4.13Å; F77-P269 HydrophobicContact CD1-CG 4.29Å; F77-P269 HydrophobicContact CE1-CG 4.12Å; I81-P269 HydrophobicContact CG1-CB 4.25Å; H85-P269 PolarHBondContact NE2-O 3.46Å; P269-N271 PolarHBondContact O-N 3.31Å; P269-L272 HydrophobicContact CB-CD1 4.4Å
270S97.7Very high98.5Very high18 Ų1811 Ų1113%0.1266%0.055CC..G310 helixtrans-66.9-22.8179.161.20000113.5Y84 C268Y84-S270 WeakPolarHBondContact OH-CB 3.19Å; C268-S270 PolarHBondContact O-N 3.11Å; C268-S270 VanDerWaalsContact O-N 3.1Å; C268-S270 PolarHBondContact SG-OG 3.4Å
271N98.5Very high98.4Very high10 Ų108.7 Ų8.75%0.0534%0.041CC..G310 helixtrans-103.58-175-62.9-53.5000113.4R226 T266 C268 P269 T275R226-N271 PolarHBondContact NH2-ND2 2.95Å; R226-N271 VanDerWaalsContact NH2-ND2 3.19Å; T266-N271 HydrophobicContact CG2-CB 3.97Å; T266-N271 WeakPolarHBondContact CG2-O 3.45Å; T266-N271 VanDerWaalsContact OG1-C 3.28Å; C268-N271 PolarHBondContact O-N 2.9Å; C268-N271 VanDerWaalsContact O-N 3.16Å; P269-N271 PolarHBondContact O-N 3.31Å; N271-T275 WeakPolarHBondContact O-CA 3.42Å; N271-T275 VanDerWaalsContact O-CB 3.23Å; N271-T275 WeakPolarHBondContact O-CB 3.42Å; N271-T275 WeakPolarHBondContact O-CG2 3.48Å
272L98.7Very high98.3Very high0 Ų06.3 Ų6.30%03%0.032CC..  trans-60.9164.2175.2-66.3172.7000112.4Y70 I81 L262 I265 T266 P269 R326Y70-L272 HydrophobicContact CD1-CD1 4.32Å; Y70-L272 HydrophobicContact CE1-CD1 3.86Å; Y70-L272 HydrophobicContact CE1-CD2 4.3Å; Y70-L272 HydrophobicContact CE2-CD2 4.24Å; I81-L272 HydrophobicContact CD1-CD1 3.53Å; I81-L272 HydrophobicContact CG1-CD1 3.85Å; I81-L272 HydrophobicContact CG2-CD1 4.5Å; L262-L272 HydrophobicContact CB-CD2 4.45Å; L262-L272 HydrophobicContact CD1-CD1 4.47Å; L262-L272 HydrophobicContact CD2-CD1 4.45Å; I265-L272 HydrophobicContact CD1-CD2 4.37Å; T266-L272 PolarHBondContact OG1-N 2.84Å; P269-L272 HydrophobicContact CB-CD1 4.4Å; L272-R326 CarbonylContact O-C 3.54Å; L272-R326 VanDerWaalsContact O-CB 3.26Å; L272-R326 WeakPolarHBondContact O-CB 3.48Å
273G98.8Very high98.2Very high0 Ų011.5 Ų11.50%06%0.055CC..BIsolated β-bridgetrans88.5-119.1178.400000111.5H94 L262 F264 T275H94-G273 WeakPolarHBondContact CE1-CA 3.26Å; H94-G273 VanDerWaalsContact NE2-C 3.3Å; L262-G273 VanDerWaalsContact O-CA 3.23Å; L262-G273 WeakPolarHBondContact O-CA 3.48Å; L262-G273 PolarHBondContact O-N 3.44Å; F264-G273 WeakPolarHBondContact CD2-O 3.41Å; F264-G273 PolarHBondContact N-O 3.22Å; G273-T275 PolarHBondContact O-N 3.41Å
274T98.8Very high98.2Very high0 Ų011.5 Ų11.50%06%0.055CC..THydrogen-bonded Turntrans-67.4-27.6176.6580000112.4H94 L124 R126 L276 R326 L329 T330 E331 A334H94-T274 PolarHBondContact CE1-N 3.42Å; H94-T274 VanDerWaalsContact CE1-N 3.29Å; L124-T274 WeakPolarHBondContact CD2-O 3.11Å; R126-T274 PolarHBondContact NH1-O 3.29Å; T274-L276 PolarHBondContact O-N 3.49Å; T274-L276 VanDerWaalsContact O-N 3.08Å; T274-L276 PolarHBondContact OG1-N 3.03Å; T274-L276 VanDerWaalsContact OG1-N 3.12Å; T274-R326 WeakPolarHBondContact CG2-O 3.45Å; T274-R326 PolarHBondContact N-O 2.8Å; T274-R326 PolarHBondContact OG1-O 2.84Å; T274-L329 WeakPolarHBondContact CG2-O 3.37Å; T274-T330 VanDerWaalsContact CG2-C 3.46Å; T274-E331 HydrophobicContact CG2-CG 4.17Å; T274-A334 HydrophobicContact CG2-CB 4.4Å
275T98.7Very high98Very high3 Ų313 Ų132%0.0187%0.066CC..  trans59.44.6-164.888.40000114.3G125 R126 F264 T266 N271 G273 R277G125-T275 PolarHBondContact N-OG1 2.91Å; G125-T275 VanDerWaalsContact O-CG2 3.32Å; G125-T275 WeakPolarHBondContact O-CG2 3.1Å; G125-T275 PolarHBondContact O-OG1 2.83Å; R126-T275 PolarHBondContact NH1-OG1 3.47Å; F264-T275 HydrophobicContact CB-CG2 3.64Å; T266-T275 HydrophobicContact CG2-CG2 3.55Å; N271-T275 WeakPolarHBondContact O-CA 3.42Å; N271-T275 VanDerWaalsContact O-CB 3.23Å; N271-T275 WeakPolarHBondContact O-CB 3.42Å; N271-T275 WeakPolarHBondContact O-CG2 3.48Å; G273-T275 PolarHBondContact O-N 3.41Å; T275-R277 PolarHBondContact O-N 2.58Å
276L98.7Very high97.9Very high0 Ų015.2 Ų15.20%08%0.077CC..  trans-80.1121.5-170.3-170.7147.2000111V122 R123 L124 Y240 T274 A278 N323 R326 E331 A334V122-L276 HydrophobicContact CG1-CD1 4.14Å; V122-L276 HydrophobicContact CG1-CD2 4.26Å; V122-L276 HydrophobicContact CG1-CG 4.02Å; R123-L276 WeakPolarHBondContact O-CA 3.24Å; L124-L276 HydrophobicContact CD2-CB 3.72Å; L124-L276 HydrophobicContact CD2-CD1 4.23Å; L124-L276 HydrophobicContact CD2-CG 4.19Å; Y240-L276 HydrophobicContact CD2-CD1 4.47Å; Y240-L276 HydrophobicContact CE2-CD1 3.87Å; T274-L276 PolarHBondContact O-N 3.49Å; T274-L276 VanDerWaalsContact O-N 3.08Å; T274-L276 PolarHBondContact OG1-N 3.03Å; T274-L276 VanDerWaalsContact OG1-N 3.12Å; L276-A278 HydrophobicContact CD2-CB 3.93Å; L276-N323 PolarHBondContact O-ND2 3.28Å; L276-R326 WeakPolarHBondContact O-CD 3.43Å; L276-R326 PolarHBondContact O-NE 2.92Å; L276-R326 PolarHBondContact O-NH1 3.42Å; L276-E331 HydrophobicContact CD1-CB 3.94Å; L276-E331 HydrophobicContact CD1-CG 4.23Å; L276-A334 HydrophobicContact CD2-CB 4.01Å
277R98.3Very high97.9Very high7 Ų715.2 Ų15.23%0.0268%0.077CC..EExtended strand (participates in β ladder)trans-120103.6164-179.8-168.3-177.291.18.1108.2V122 R123 T275 R305 D320 S322V122-R277 WeakPolarHBondContact CA-O 3.36Å; R123-R277 HydrophobicContact CG-CB 3.83Å; R123-R277 PolarHBondContact N-O 2.8Å; R123-R277 PolarHBondContact O-N 2.88Å; T275-R277 PolarHBondContact O-N 2.58Å; R277-R305 VanDerWaalsContact CZ-CZ 3.46Å; R277-R305 VanDerWaalsContact NH1-NE 3.19Å; R277-R305 VanDerWaalsContact NH1-NH1 3.14Å; R277-R305 VanDerWaalsContact NH1-NH2 3.12Å; R277-R305 VanDerWaalsContact NH2-NE 3.15Å; R277-D320 IonicContact CZ-OD1 3.34Å; R277-D320 IonicContact NE-OD1 3.43Å; R277-D320 IonicContact NH2-OD1 3.11Å; R277-D320 PolarHBondContact NH2-OD1 3.04Å; R277-S322 VanDerWaalsContact CZ-OG 3.23Å; R277-S322 PolarHBondContact NH1-OG 3.16Å; R277-S322 PolarHBondContact NH2-OG 2.81Å; R277-S322 VanDerWaalsContact NH2-OG 3.08Å
278A98.5Very high97.7Very high0 Ų016 Ų160%08%0.084CC..EExtended strand (participates in β ladder)trans-86.9131.7163.600000107.7R121 V122 L236 L276 S322 N323 V335 M338R121-A278 CarbonylContact O-C 3.55Å; R121-A278 WeakPolarHBondContact O-CA 3.41Å; V122-A278 HydrophobicContact CG1-CB 4.16Å; V122-A278 HydrophobicContact CG2-CB 3.86Å; L236-A278 HydrophobicContact CD1-CB 4.47Å; L276-A278 HydrophobicContact CD2-CB 3.93Å; A278-S322 WeakPolarHBondContact O-CA 3.27Å; A278-S322 WeakPolarHBondContact O-CB 3.28Å; A278-N323 PolarHBondContact N-OD1 2.87Å; A278-N323 PolarHBondContact O-N 3.31Å; A278-N323 PolarHBondContact O-OD1 3.1Å; A278-V335 HydrophobicContact CB-CG2 4.24Å; A278-M338 HydrophobicContact CB-CB 4Å; A278-M338 HydrophobicContact CB-CE 4.02Å; A278-M338 HydrophobicContact CB-CG 3.68Å; A278-M338 HydrophobicContact CB-SD 4.15Å; A278-M338 WeakPolarHBondContact O-CG 3.24Å
279S97.9Very high97.6Very high2 Ų218.6 Ų18.61%0.01410%0.102CC..EExtended strand (participates in β ladder)trans-142.3157.3176.573.80000114.1R121 D320 L321 M338R121-S279 PolarHBondContact N-O 3.4Å; R121-S279 PolarHBondContact O-N 3.35Å; S279-D320 WeakPolarHBondContact CB-OD1 3.25Å; S279-D320 VanDerWaalsContact CB-OD2 3.25Å; S279-D320 WeakPolarHBondContact CB-OD2 3.5Å; S279-D320 PolarHBondContact OG-OD2 3.21Å; S279-L321 CarbonylContact C-O 3.6Å; S279-L321 WeakPolarHBondContact CA-O 3.2Å; S279-L321 WeakPolarHBondContact CB-O 3.19Å; S279-M338 VanDerWaalsContact CA-CE 3.47Å
280V97.8Very high97.6Very high1 Ų118.9 Ų18.91%0.00610%0.104CC..EExtended strand (participates in β ladder)trans-121.3148.4165.4-67.90000110.4L110 V117 S119 T120 A282 D320 L321 M338 V342L110-V280 HydrophobicContact CD1-CG1 3.55Å; V117-V280 HydrophobicContact CG1-CB 3.85Å; V117-V280 HydrophobicContact CG1-CG1 3.76Å; V117-V280 HydrophobicContact CG2-CB 4.36Å; V117-V280 HydrophobicContact CG2-CG1 4.31Å; S119-V280 CarbonylContact O-C 3.27Å; S119-V280 VanDerWaalsContact O-CA 3.31Å; S119-V280 WeakPolarHBondContact O-CA 3.39Å; T120-V280 HydrophobicContact CG2-CG1 4.16Å; V280-A282 HydrophobicContact CG2-CB 4.11Å; V280-D320 CarbonylContact O-C 3.53Å; V280-D320 VanDerWaalsContact O-CA 3.26Å; V280-D320 WeakPolarHBondContact O-CA 3.38Å; V280-L321 HydrophobicContact CG2-CB 3.96Å; V280-L321 HydrophobicContact CG2-CD1 4.44Å; V280-L321 PolarHBondContact N-O 2.9Å; V280-L321 PolarHBondContact O-N 3.39Å; V280-M338 HydrophobicContact CG1-CE 3.87Å; V280-V342 HydrophobicContact CG2-CG1 3.59Å; V280-V342 HydrophobicContact CG2-CG2 4.24Å
281H95.7Very high97.5Very high58 Ų5819.5 Ų19.527%0.26911%0.108SC..EExtended strand (participates in β ladder)trans-91.4111.5158-72.8176.4000108.3V118 S119 I318 Y319 D320V118-H281 HydrophobicContact CB-CB 4.27Å; V118-H281 PolarHBondContact N-O 3.14Å; S119-H281 PolarHBondContact O-N 2.84Å; H281-I318 HydrophobicContact CB-CG2 4.09Å; H281-Y319 WeakPolarHBondContact CA-O 3.25Å; H281-D320 IonicContact CD2-OD2 3.14Å; H281-D320 IonicContact NE2-OD2 2.66Å
282A96.9Very high97.5Very high0 Ų019.1 Ų19.10%011%0.106CC..EExtended strand (participates in β ladder)trans-124.1140.7-175.600000112.1L116 V117 V280 I284 I318 Y319 L321 L346L116-A282 VanDerWaalsContact O-CA 3.32Å; L116-A282 WeakPolarHBondContact O-CA 3.24Å; V117-A282 HydrophobicContact CG2-CB 4.5Å; V280-A282 HydrophobicContact CG2-CB 4.11Å; A282-I284 HydrophobicContact CB-CG2 4.26Å; A282-I284 PolarHBondContact O-N 3.41Å; A282-I318 CarbonylContact O-C 3.55Å; A282-I318 VanDerWaalsContact O-CA 3.31Å; A282-I318 WeakPolarHBondContact O-CA 3.09Å; A282-Y319 PolarHBondContact N-O 2.89Å; A282-Y319 PolarHBondContact O-N 3.5Å; A282-L321 HydrophobicContact CB-CD1 4.24Å; A282-L346 HydrophobicContact CB-CD2 3.81Å
283K96.6Very high97.4Very high110 Ų11019.9 Ų19.948%0.47811%0.109SC..EExtended strand (participates in β ladder)trans-83.1101.7173.6-175.8178.8179.5-175.90109.6L116 P285 I318L116-K283 PolarHBondContact O-N 3.14Å; K283-P285 VanDerWaalsContact C-CD 3.42Å; K283-I318 HydrophobicContact CB-CG1 4.41Å
284I97.5Very high97.3Very high0 Ų027 Ų270%014%0.14CC..  trans-131.151.5-176.153.8154.6000112.9A282 M286 L287 A288 F293 G317 Y319 L321 L346 E349A282-I284 HydrophobicContact CB-CG2 4.26Å; A282-I284 PolarHBondContact O-N 3.41Å; I284-M286 PolarHBondContact O-N 3.36Å; I284-L287 HydrophobicContact CB-CB 4.31Å; I284-L287 HydrophobicContact CB-CD2 4.45Å; I284-L287 HydrophobicContact CD1-CD2 4.05Å; I284-L287 HydrophobicContact CD1-CG 4.44Å; I284-A288 WeakPolarHBondContact O-CB 3.38Å; I284-A288 PolarHBondContact O-N 3.08Å; I284-F293 HydrophobicContact CD1-CE2 3.73Å; I284-F293 HydrophobicContact CD1-CZ 3.89Å; I284-G317 PolarHBondContact N-O 2.86Å; I284-Y319 HydrophobicContact CD1-CD2 4.25Å; I284-Y319 HydrophobicContact CD1-CG 4.26Å; I284-Y319 HydrophobicContact CG1-CD2 3.96Å; I284-Y319 HydrophobicContact CG1-CG 4.35Å; I284-L321 HydrophobicContact CD1-CD1 4.1Å; I284-L321 HydrophobicContact CD1-CD2 3.95Å; I284-L321 HydrophobicContact CD1-CG 4.41Å; I284-L346 HydrophobicContact CG2-CD2 4.02Å; I284-E349 HydrophobicContact CB-CB 4.46Å; I284-E349 HydrophobicContact CB-CG 4.28Å; I284-E349 HydrophobicContact CG2-CB 3.99Å; I284-E349 HydrophobicContact CG2-CG 4.05Å
285P95.4Very high97.2Very high50 Ų5030.2 Ų30.233%0.32516%0.155SC..Hα-helixtrans-61.4-36.9-171.725.5-36.3000114.1K283 S289 E349K283-P285 VanDerWaalsContact C-CD 3.42Å; P285-S289 PolarHBondContact O-N 2.69Å; P285-E349 VanDerWaalsContact CD-OE1 3.23Å; P285-E349 WeakPolarHBondContact CD-OE1 3.32Å
286M96.9Very high97.2Very high54 Ų5430.2 Ų30.227%0.26615%0.154SC..Hα-helixtrans-75-46.4-177.7-67.8-162.6179.600111.3I284 A288 S289 E349 L352 Q353 N356 P365I284-M286 PolarHBondContact O-N 3.36Å; M286-A288 VanDerWaalsContact C-N 3.31Å; M286-A288 PolarHBondContact O-N 3.19Å; M286-S289 WeakPolarHBondContact O-CB 3.45Å; M286-S289 PolarHBondContact O-N 2.79Å; M286-S289 VanDerWaalsContact O-N 3.08Å; M286-S289 PolarHBondContact O-OG 3.49Å; M286-E349 PolarHBondContact N-OE1 2.93Å; M286-E349 PolarHBondContact N-OE2 3.2Å; M286-L352 HydrophobicContact CB-CB 3.92Å; M286-L352 HydrophobicContact CB-CD1 4.31Å; M286-L352 HydrophobicContact SD-CB 4.19Å; M286-Q353 HydrophobicContact CE-CG 4.18Å; M286-Q353 HydrophobicContact CG-CG 4.31Å; M286-Q353 VanDerWaalsContact SD-CA 3.57Å; M286-Q353 HydrophobicContact SD-CB 4.34Å; M286-Q353 HydrophobicContact SD-CG 3.89Å; M286-N356 HydrophobicContact SD-CB 4.32Å; M286-P365 HydrophobicContact SD-CB 4.45Å
287L98.1Very high97.1Very high0 Ų030.2 Ų30.20%015%0.154CC..Hα-helixtrans-58.1-43.9174.5172.259000111.4I284 S289 L290 F293 I296 L345 L348 E349 L352I284-L287 HydrophobicContact CB-CB 4.31Å; I284-L287 HydrophobicContact CB-CD2 4.45Å; I284-L287 HydrophobicContact CD1-CD2 4.05Å; I284-L287 HydrophobicContact CD1-CG 4.44Å; L287-S289 PolarHBondContact O-N 2.74Å; L287-L290 HydrophobicContact CD1-CD1 3.99Å; L287-L290 WeakPolarHBondContact O-CB 3.25Å; L287-L290 PolarHBondContact O-N 2.87Å; L287-L290 VanDerWaalsContact O-N 3.14Å; L287-F293 HydrophobicContact CD1-CD2 4.2Å; L287-F293 HydrophobicContact CD2-CE2 4.37Å; L287-F293 HydrophobicContact CG-CD2 3.88Å; L287-F293 HydrophobicContact CG-CE2 3.99Å; L287-F293 WeakPolarHBondContact O-CD2 3.28Å; L287-I296 HydrophobicContact CD1-CG2 4.26Å; L287-L345 HydrophobicContact CD2-CB 3.83Å; L287-L345 HydrophobicContact CD2-CD2 4.01Å; L287-L345 HydrophobicContact CD2-CG 4.41Å; L287-L348 HydrophobicContact CD1-CD2 3.88Å; L287-L348 HydrophobicContact CD1-CG 4.46Å; L287-E349 VanDerWaalsContact CB-OE2 3.25Å; L287-E349 WeakPolarHBondContact CB-OE2 3.39Å; L287-E349 PolarHBondContact N-OE2 3.49Å; L287-L352 HydrophobicContact CB-CD1 3.93Å
288A96.1Very high97.1Very high20 Ų2034.4 Ų34.417%0.16517%0.174CC..Hα-helixtrans-65.3-22.3177.700000113.8I284 M286 L290 F293 Y319I284-A288 WeakPolarHBondContact O-CB 3.38Å; I284-A288 PolarHBondContact O-N 3.08Å; M286-A288 VanDerWaalsContact C-N 3.31Å; M286-A288 PolarHBondContact O-N 3.19Å; A288-L290 VanDerWaalsContact C-N 3.32Å; A288-F293 HydrophobicContact CB-CE1 4.43Å; A288-F293 HydrophobicContact CB-CZ 4.4Å; A288-Y319 HydrophobicContact CB-CD2 3.92Å; A288-Y319 HydrophobicContact CB-CE2 3.24Å
289S95.7Very high96.9Very high57 Ų5741.2 Ų41.240%0.39920%0.204SC..THydrogen-bonded Turntrans-81.8-9.5176.4790000113.8P285 M286 L287 P365P285-S289 PolarHBondContact O-N 2.69Å; M286-S289 WeakPolarHBondContact O-CB 3.45Å; M286-S289 PolarHBondContact O-N 2.79Å; M286-S289 VanDerWaalsContact O-N 3.08Å; M286-S289 PolarHBondContact O-OG 3.49Å; L287-S289 PolarHBondContact O-N 2.74Å; S289-P365 VanDerWaalsContact OG-CG 3.23Å; S289-P365 WeakPolarHBondContact OG-CG 3.09Å
290L98Very high96.9Very high6 Ų644.1 Ų44.13%0.03122%0.217CC..SBendtrans-69.8140.5-179.6-66.3-179.6000111.6L287 A288 N292 F293 I296 L352 M364 P365 E367L287-L290 HydrophobicContact CD1-CD1 3.99Å; L287-L290 WeakPolarHBondContact O-CB 3.25Å; L287-L290 PolarHBondContact O-N 2.87Å; L287-L290 VanDerWaalsContact O-N 3.14Å; A288-L290 VanDerWaalsContact C-N 3.32Å; L290-N292 PolarHBondContact O-N 2.85Å; L290-F293 WeakPolarHBondContact O-CB 3.35Å; L290-F293 PolarHBondContact O-N 2.98Å; L290-F293 VanDerWaalsContact O-N 3.09Å; L290-I296 HydrophobicContact CB-CD1 4.5Å; L290-I296 HydrophobicContact CD1-CD1 3.88Å; L290-L352 HydrophobicContact CD1-CD1 3.93Å; L290-L352 HydrophobicContact CD1-CD2 4.47Å; L290-L352 HydrophobicContact CD2-CD2 4.49Å; L290-M364 HydrophobicContact CD2-CE 4.26Å; L290-P365 HydrophobicContact CD2-CG 4.48Å; L290-P365 WeakPolarHBondContact CD2-O 3.11Å; L290-E367 HydrophobicContact CD1-CG 4.49Å; L290-E367 WeakPolarHBondContact CD1-OE1 3.35Å
291P96.7Very high96.9Very high32 Ų3244.9 Ų44.921%0.20823%0.226CC..THydrogen-bonded Turntrans-57.7-27.9-175.2-26.233000115.5M364 R556 R562P291-M364 VanDerWaalsContact CD-CE 3.49Å; P291-M364 HydrophobicContact CG-CE 3.76Å; P291-M364 HydrophobicContact CG-SD 4.2Å; P291-R556 HydrophobicContact CB-CG 3.83Å; P291-R556 WeakPolarHBondContact CB-O 3.29Å; P291-R556 VanDerWaalsContact CG-O 3.3Å; P291-R556 WeakPolarHBondContact CG-O 3.37Å; P291-R562 HydrophobicContact CG-CG 4.27Å
292N97.4Very high97Very high2 Ų242.2 Ų42.21%0.01121%0.213CC..THydrogen-bonded Turntrans-116.730.4-178.558.4-16.6000112.5L290 K294 E295 I296 R414 Y418 D557L290-N292 PolarHBondContact O-N 2.85Å; N292-K294 VanDerWaalsContact C-N 3.26Å; N292-K294 PolarHBondContact O-N 3.47Å; N292-E295 VanDerWaalsContact CA-OE2 3.24Å; N292-E295 WeakPolarHBondContact CA-OE2 3.26Å; N292-E295 HydrophobicContact CB-CB 4.31Å; N292-E295 PolarHBondContact O-N 3.16Å; N292-E295 VanDerWaalsContact O-N 3.11Å; N292-I296 WeakPolarHBondContact O-CG1 3.27Å; N292-I296 PolarHBondContact O-N 3.02Å; N292-I296 WeakPolarHBondContact OD1-CD1 3.22Å; N292-R414 PolarHBondContact OD1-NH1 3Å; N292-R414 PolarHBondContact OD1-NH2 3.24Å; N292-Y418 VanDerWaalsContact ND2-CD1 3.33Å; N292-Y418 WeakPolarHBondContact ND2-CD1 3.17Å; N292-Y418 VanDerWaalsContact ND2-CG 3.27Å; N292-D557 VanDerWaalsContact CB-OD1 3.25Å; N292-D557 WeakPolarHBondContact CB-OD1 3.3Å; N292-D557 PolarHBondContact ND2-OD1 3.05Å; N292-D557 PolarHBondContact ND2-OD2 2.99Å
293F97Very high97Very high16 Ų1644.7 Ų44.77%0.0723%0.225CC..Hα-helixtrans-47.9-47.4179.2166.3-124.1000112.6I284 L287 A288 L290 E295 I296 C297 P304 Y319I284-F293 HydrophobicContact CD1-CE2 3.73Å; I284-F293 HydrophobicContact CD1-CZ 3.89Å; L287-F293 HydrophobicContact CD1-CD2 4.2Å; L287-F293 HydrophobicContact CD2-CE2 4.37Å; L287-F293 HydrophobicContact CG-CD2 3.88Å; L287-F293 HydrophobicContact CG-CE2 3.99Å; L287-F293 WeakPolarHBondContact O-CD2 3.28Å; A288-F293 HydrophobicContact CB-CE1 4.43Å; A288-F293 HydrophobicContact CB-CZ 4.4Å; L290-F293 WeakPolarHBondContact O-CB 3.35Å; L290-F293 PolarHBondContact O-N 2.98Å; L290-F293 VanDerWaalsContact O-N 3.09Å; F293-E295 PolarHBondContact O-N 3.48Å; F293-I296 PolarHBondContact O-N 2.7Å; F293-C297 WeakPolarHBondContact CE2-SG 3.48Å; F293-C297 PolarHBondContact O-N 3.05Å; F293-C297 PolarHBondContact O-SG 3.34Å; F293-C297 VanDerWaalsContact O-SG 3.37Å; F293-P304 HydrophobicContact CE1-CB 3.59Å; F293-P304 HydrophobicContact CE1-CG 3.85Å; F293-P304 HydrophobicContact CE2-CB 4.36Å; F293-P304 HydrophobicContact CZ-CB 3.4Å; F293-P304 VanDerWaalsContact CZ-CB 3.4Å; F293-P304 HydrophobicContact CZ-CG 3.98Å; F293-Y319 AromaticContact CE1-CD1 3.92Å; F293-Y319 HydrophobicContact CE1-CD1 3.92Å; F293-Y319 AromaticContact CE1-CE1 3.7Å; F293-Y319 HydrophobicContact CE1-CE1 3.7Å; F293-Y319 AromaticContact CZ-CD1 3.97Å; F293-Y319 HydrophobicContact CZ-CD1 3.97Å; F293-Y319 HydrophobicContact CZ-CE1 4.18Å; F293-Y319 HydrophobicContact CZ-CG 4.28Å
294K95.8Very high96.9Very high149 Ų14940.7 Ų40.765%0.64821%0.21SC*.Hα-helixtrans-64.4-42.1-179.1-69.1-174.5179.2176.40111.9N292 C297 E298 P304N292-K294 VanDerWaalsContact C-N 3.26Å; N292-K294 PolarHBondContact O-N 3.47Å; K294-C297 PolarHBondContact O-N 3Å; K294-E298 WeakPolarHBondContact O-CB 3.26Å; K294-E298 PolarHBondContact O-N 2.79Å; K294-P304 HydrophobicContact CG-CG 4.36Å
295E97Very high96.5Very high67 Ų6742.5 Ų42.531%0.31322%0.217SC..Hα-helixtrans-69.5-35.5177.9-65.681172.200112.3N292 F293 E298 K299 R556N292-E295 VanDerWaalsContact CA-OE2 3.24Å; N292-E295 WeakPolarHBondContact CA-OE2 3.26Å; N292-E295 HydrophobicContact CB-CB 4.31Å; N292-E295 PolarHBondContact O-N 3.16Å; N292-E295 VanDerWaalsContact O-N 3.11Å; F293-E295 PolarHBondContact O-N 3.48Å; E295-E298 PolarHBondContact O-N 3.16Å; E295-K299 WeakPolarHBondContact O-CB 3.4Å; E295-K299 WeakPolarHBondContact O-CG 3.48Å; E295-K299 PolarHBondContact O-N 3.36Å; E295-R556 IonicContact OE1-CZ 2.75Å; E295-R556 IonicContact OE1-NH1 2.67Å; E295-R556 PolarHBondContact OE1-NH1 3.09Å; E295-R556 IonicContact OE1-NH2 3.01Å; E295-R556 IonicContact OE2-NH1 3.8Å
296I98.3Very high95.9Very high3 Ų340.5 Ų40.52%0.01521%0.205CC..Hα-helixtrans-62.1-48172.6-68168000109.5L287 L290 N292 F293 E298 K299 H300 L345 L348 Y418L287-I296 HydrophobicContact CD1-CG2 4.26Å; L290-I296 HydrophobicContact CB-CD1 4.5Å; L290-I296 HydrophobicContact CD1-CD1 3.88Å; N292-I296 WeakPolarHBondContact O-CG1 3.27Å; N292-I296 PolarHBondContact O-N 3.02Å; N292-I296 WeakPolarHBondContact OD1-CD1 3.22Å; F293-I296 PolarHBondContact O-N 2.7Å; I296-E298 PolarHBondContact O-N 3.43Å; I296-K299 PolarHBondContact O-N 3.44Å; I296-H300 PolarHBondContact O-N 3.45Å; I296-H300 PolarHBondContact O-ND1 3.36Å; I296-L345 HydrophobicContact CG2-CD2 3.81Å; I296-L348 HydrophobicContact CG2-CD2 4.14Å; I296-Y418 HydrophobicContact CD1-CE1 4.19Å; I296-Y418 WeakPolarHBondContact CD1-OH 3.48Å; I296-Y418 HydrophobicContact CG1-CE1 3.89Å
297C98.2Very high94.7Very high0 Ų039.6 Ų39.60%020%0.203CC..Hα-helixtrans-59.6-46.2175.1-67.70000111.7F293 K294 K299 H300 G301 I302 P304 L345F293-C297 WeakPolarHBondContact CE2-SG 3.48Å; F293-C297 PolarHBondContact O-N 3.05Å; F293-C297 PolarHBondContact O-SG 3.34Å; F293-C297 VanDerWaalsContact O-SG 3.37Å; K294-C297 PolarHBondContact O-N 3Å; C297-K299 PolarHBondContact O-N 2.86Å; C297-H300 CarbonylContact O-C 3.26Å; C297-H300 WeakPolarHBondContact O-CA 3.45Å; C297-H300 PolarHBondContact O-N 3.44Å; C297-G301 PolarHBondContact O-N 2.94Å; C297-I302 CarbonylContact C-O 3.54Å; C297-I302 HydrophobicContact CB-CB 4.18Å; C297-I302 HydrophobicContact CB-CG2 4.35Å; C297-I302 WeakPolarHBondContact CB-O 3.38Å; C297-I302 WeakPolarHBondContact O-CA 3.21Å; C297-I302 PolarHBondContact O-N 3.39Å; C297-P304 HydrophobicContact CB-CG 3.97Å; C297-L345 HydrophobicContact CB-CD1 4.36Å
298E96.6Very high92.9Very high95 Ų9546.2 Ų46.244%0.44423%0.233SC..Hα-helixtrans-62.2-40.9-178.6-179.4168.6-169.500112.5K294 E295 I296 H300 G301 I302 K324K294-E298 WeakPolarHBondContact O-CB 3.26Å; K294-E298 PolarHBondContact O-N 2.79Å; E295-E298 PolarHBondContact O-N 3.16Å; I296-E298 PolarHBondContact O-N 3.43Å; E298-H300 PolarHBondContact O-N 3.43Å; E298-G301 PolarHBondContact O-N 3.38Å; E298-I302 PolarHBondContact N-O 2.97Å; E298-K324 HydrophobicContact CG-CD 4.34Å; E298-K324 IonicContact OE1-NZ 2.68Å; E298-K324 PolarHBondContact OE1-NZ 3.12Å
299K96.1Very high90.8Very high144 Ų14446.9 Ų46.963%0.62624%0.243SC*.Hα-helixtrans-61.1-27.4174.2-77.9177.4178.3178.70112.8E295 I296 C297E295-K299 WeakPolarHBondContact O-CB 3.4Å; E295-K299 WeakPolarHBondContact O-CG 3.48Å; E295-K299 PolarHBondContact O-N 3.36Å; I296-K299 PolarHBondContact O-N 3.44Å; C297-K299 PolarHBondContact O-N 2.86Å
300H97.7Very high88.6Confident62 Ų6249.1 Ų49.129%0.28725%0.247SC..THydrogen-bonded Turntrans-92.910.3174.2-67.290000113.2I296 C297 E298 I302 G341I296-H300 PolarHBondContact O-N 3.45Å; I296-H300 PolarHBondContact O-ND1 3.36Å; C297-H300 CarbonylContact O-C 3.26Å; C297-H300 WeakPolarHBondContact O-CA 3.45Å; C297-H300 PolarHBondContact O-N 3.44Å; E298-H300 PolarHBondContact O-N 3.43Å; H300-I302 VanDerWaalsContact C-N 3.27Å; H300-I302 HydrophobicContact CB-CG1 4.44Å; H300-I302 PolarHBondContact O-N 2.95Å; H300-G341 WeakPolarHBondContact O-CA 3.26Å
301G97.6Very high86.2Confident18 Ų1857 Ų5719%0.18628%0.283CS..THydrogen-bonded Turntrans74.514.3179.900000114.5C297 E298 K324C297-G301 PolarHBondContact O-N 2.94Å; E298-G301 PolarHBondContact O-N 3.38Å; G301-K324 WeakPolarHBondContact O-CB 3.48Å; G301-K324 PolarHBondContact O-N 3.3Å
302I98.5Very high84.3Confident2 Ų258 Ų581%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-106.1142.5-174.3-58.4-53.5000111.7C297 E298 H300 L321 S322 V342 L345C297-I302 CarbonylContact C-O 3.54Å; C297-I302 HydrophobicContact CB-CB 4.18Å; C297-I302 HydrophobicContact CB-CG2 4.35Å; C297-I302 WeakPolarHBondContact CB-O 3.38Å; C297-I302 WeakPolarHBondContact O-CA 3.21Å; C297-I302 PolarHBondContact O-N 3.39Å; E298-I302 PolarHBondContact N-O 2.97Å; H300-I302 VanDerWaalsContact C-N 3.27Å; H300-I302 HydrophobicContact CB-CG1 4.44Å; H300-I302 PolarHBondContact O-N 2.95Å; I302-L321 HydrophobicContact CG2-CB 3.95Å; I302-L321 HydrophobicContact CG2-CD2 4.22Å; I302-S322 CarbonylContact C-O 3.56Å; I302-S322 VanDerWaalsContact CA-O 3.26Å; I302-S322 WeakPolarHBondContact CA-O 3.35Å; I302-S322 WeakPolarHBondContact CG2-O 3.49Å; I302-V342 HydrophobicContact CD1-CG2 3.94Å; I302-V342 HydrophobicContact CG1-CG2 4.46Å; I302-L345 HydrophobicContact CB-CD1 3.89Å; I302-L345 HydrophobicContact CG1-CD1 3.91Å; I302-L345 HydrophobicContact CG2-CD1 3.78Å
303Q95.8Very high82.6Confident51 Ų5166.4 Ų66.424%0.23833%0.328CS..EExtended strand (participates in β ladder)trans-107.8116.6168.4177.6177.181.200109.6R305 S322 K324Q303-R305 HydrophobicContact CG-CG 4.49Å; Q303-S322 PolarHBondContact N-O 2.98Å; Q303-S322 PolarHBondContact O-N 3.33Å; Q303-S322 PolarHBondContact O-OG 3.03Å; Q303-K324 HydrophobicContact CB-CB 4.28Å
304P94.8Very high81.2Confident26 Ų2667.2 Ų67.217%0.16934%0.336CS..EExtended strand (participates in β ladder)trans-86145.1173.933.4-32.4000112F293 K294 C297 Y319 D320 L321F293-P304 HydrophobicContact CE1-CB 3.59Å; F293-P304 HydrophobicContact CE1-CG 3.85Å; F293-P304 HydrophobicContact CE2-CB 4.36Å; F293-P304 HydrophobicContact CZ-CB 3.4Å; F293-P304 VanDerWaalsContact CZ-CB 3.4Å; F293-P304 HydrophobicContact CZ-CG 3.98Å; K294-P304 HydrophobicContact CG-CG 4.36Å; C297-P304 HydrophobicContact CB-CG 3.97Å; P304-Y319 HydrophobicContact CB-CD1 4.5Å; P304-D320 CarbonylContact C-O 3.55Å; P304-D320 WeakPolarHBondContact CA-O 3.38Å; P304-L321 HydrophobicContact CB-CD2 3.99Å
305R89.4Confident79.9Confident39 Ų3964.4 Ų64.415%0.14733%0.33CS..EExtended strand (participates in β ladder)trans-143.6157.5172.2-54.8-176.2178.4-171.6-14.8111R277 Q303 E310 Y319 D320R277-R305 VanDerWaalsContact CZ-CZ 3.46Å; R277-R305 VanDerWaalsContact NH1-NE 3.19Å; R277-R305 VanDerWaalsContact NH1-NH1 3.14Å; R277-R305 VanDerWaalsContact NH1-NH2 3.12Å; R277-R305 VanDerWaalsContact NH2-NE 3.15Å; Q303-R305 HydrophobicContact CG-CG 4.49Å; R305-E310 IonicContact CZ-OE1 3.1Å; R305-E310 IonicContact NH1-OE1 3.59Å; R305-E310 PolarHBondContact NH1-OE1 2.74Å; R305-E310 IonicContact NH2-OE1 3.61Å; R305-E310 PolarHBondContact NH2-OE1 3.39Å; R305-Y319 CarbonylContact O-C 3.57Å; R305-Y319 WeakPolarHBondContact O-CA 3.37Å; R305-Y319 WeakPolarHBondContact O-CD1 3.32Å; R305-D320 HydrophobicContact CB-CB 4.28Å; R305-D320 PolarHBondContact N-O 3.23Å; R305-D320 PolarHBondContact O-N 2.91Å
306G82.6Confident79Confident7 Ų764.2 Ų64.27%0.07235%0.347CS..  trans-68.9178.4166.800000112.6T312G306-T312 WeakPolarHBondContact CA-O 3.46Å; G306-T312 PolarHBondContact N-O 3.04Å
307T71.1Confident78.5Confident35 Ų3564.7 Ų64.722%0.21535%0.352CS..THydrogen-bonded Turntrans-87.5-10.5-168.547.80000115.4I318T307-I318 HydrophobicContact CG2-CB 3.82Å; T307-I318 HydrophobicContact CG2-CG2 3.52Å; T307-I318 WeakPolarHBondContact CG2-O 3.44Å
308H59.6Low78.2Confident139 Ų13967 Ų6764%0.64436%0.364SS*.THydrogen-bonded Turntrans-108.37.1-175.8-78.976.6000114T312H308-T312 VanDerWaalsContact C-CG2 3.47Å; H308-T312 VanDerWaalsContact C-OG1 3.32Å; H308-T312 WeakPolarHBondContact CA-OG1 3.29Å; H308-T312 HydrophobicContact CB-CG2 3.58Å; H308-T312 PolarHBondContact N-OG1 3.22Å
309G53.7Low78.1Confident35 Ų3564.5 Ų64.536%0.36135%0.351SS..SBendtrans144-170.417800000114.1H311 T312G309-H311 PolarHBondContact O-N 2.65Å; G309-T312 PolarHBondContact N-OG1 2.87Å; G309-T312 VanDerWaalsContact N-OG1 3.08Å; G309-T312 PolarHBondContact O-OG1 3.35Å
310E49Very low78.1Confident104 Ų10458.3 Ų58.349%0.48633%0.325SS..THydrogen-bonded Turntrans-62.1-21.6-167.9-54.5-144.712800114.6R305R305-E310 IonicContact CZ-OE1 3.1Å; R305-E310 IonicContact NH1-OE1 3.59Å; R305-E310 PolarHBondContact NH1-OE1 2.74Å; R305-E310 IonicContact NH2-OE1 3.61Å; R305-E310 PolarHBondContact NH2-OE1 3.39Å
311H46.3Very low78.1Confident172 Ų17255.4 Ų55.480%0.79631%0.311SS*.THydrogen-bonded Turntrans-136.616-172.7-55.3-52.7000114.6G309G309-H311 PolarHBondContact O-N 2.65Å
312T57.5Low78.1Confident52 Ų5254.5 Ų54.532%0.31930%0.302SS..PPolyproline II helixtrans-84.2154.9-173.459.30000112.5G306 H308 G309G306-T312 WeakPolarHBondContact CA-O 3.46Å; G306-T312 PolarHBondContact N-O 3.04Å; H308-T312 VanDerWaalsContact C-CG2 3.47Å; H308-T312 VanDerWaalsContact C-OG1 3.32Å; H308-T312 WeakPolarHBondContact CA-OG1 3.29Å; H308-T312 HydrophobicContact CB-CG2 3.58Å; H308-T312 PolarHBondContact N-OG1 3.22Å; G309-T312 PolarHBondContact N-OG1 2.87Å; G309-T312 VanDerWaalsContact N-OG1 3.08Å; G309-T312 PolarHBondContact O-OG1 3.35Å
313E61.4Low78.1Confident178 Ų17854.4 Ų54.483%0.83230%0.302SS*.PPolyproline II helixtrans-69.3151.7169.8-72.8-174164.900110.9
314S68.9Low78.1Confident34 Ų3455.3 Ų55.324%0.23831%0.305CS..PPolyproline II helixtrans-70.6135.5173.6610000110.7I318 Y319S314-I318 WeakPolarHBondContact CB-O 3.26Å; S314-Y319 VanDerWaalsContact CB-CZ 3.49Å; S314-Y319 WeakPolarHBondContact OG-CE2 3.28Å; S314-Y319 PolarHBondContact OG-OH 3.11Å
315V67.1Low78.2Confident89 Ų8959.3 Ų59.354%0.53932%0.316SS..SBendtrans-90.7115.3167.5-1770000108.4G317 I318V315-G317 VanDerWaalsContact C-N 3.33Å; V315-G317 PolarHBondContact O-N 3.14Å; V315-I318 PolarHBondContact O-N 3.3Å
316G78.9Confident78.7Confident64 Ų6458 Ų5866%0.6631%0.312SS*.THydrogen-bonded Turntrans66.326.4174.300000115.6I318G316-I318 VanDerWaalsContact C-N 3.35Å
317G87.2Confident79.4Confident12 Ų1258.4 Ų58.412%0.12431%0.312CS..THydrogen-bonded Turntrans77.316.7-17900000114.6I284 V315I284-G317 PolarHBondContact N-O 2.86Å; V315-G317 VanDerWaalsContact C-N 3.33Å; V315-G317 PolarHBondContact O-N 3.14Å
318I92.6Very high80.7Confident48 Ų4858.2 Ų58.225%0.24632%0.317CS..EExtended strand (participates in β ladder)trans-89.8130.6173.9-56.2174.8000109.5V118 H281 A282 K283 T307 S314 V315 G316V118-I318 HydrophobicContact CG2-CD1 4.44Å; H281-I318 HydrophobicContact CB-CG2 4.09Å; A282-I318 CarbonylContact O-C 3.55Å; A282-I318 VanDerWaalsContact O-CA 3.31Å; A282-I318 WeakPolarHBondContact O-CA 3.09Å; K283-I318 HydrophobicContact CB-CG1 4.41Å; T307-I318 HydrophobicContact CG2-CB 3.82Å; T307-I318 HydrophobicContact CG2-CG2 3.52Å; T307-I318 WeakPolarHBondContact CG2-O 3.44Å; S314-I318 WeakPolarHBondContact CB-O 3.26Å; V315-I318 PolarHBondContact O-N 3.3Å; G316-I318 VanDerWaalsContact C-N 3.35Å
319Y94.7Very high82.6Confident43 Ų4351.9 Ų51.917%0.16929%0.288CS..EExtended strand (participates in β ladder)trans-127.1145.7179.1-77.9-99.2000111.4H281 A282 I284 A288 F293 P304 R305 S314H281-Y319 WeakPolarHBondContact CA-O 3.25Å; A282-Y319 PolarHBondContact N-O 2.89Å; A282-Y319 PolarHBondContact O-N 3.5Å; I284-Y319 HydrophobicContact CD1-CD2 4.25Å; I284-Y319 HydrophobicContact CD1-CG 4.26Å; I284-Y319 HydrophobicContact CG1-CD2 3.96Å; I284-Y319 HydrophobicContact CG1-CG 4.35Å; A288-Y319 HydrophobicContact CB-CD2 3.92Å; A288-Y319 HydrophobicContact CB-CE2 3.24Å; F293-Y319 AromaticContact CE1-CD1 3.92Å; F293-Y319 HydrophobicContact CE1-CD1 3.92Å; F293-Y319 AromaticContact CE1-CE1 3.7Å; F293-Y319 HydrophobicContact CE1-CE1 3.7Å; F293-Y319 AromaticContact CZ-CD1 3.97Å; F293-Y319 HydrophobicContact CZ-CD1 3.97Å; F293-Y319 HydrophobicContact CZ-CE1 4.18Å; F293-Y319 HydrophobicContact CZ-CG 4.28Å; P304-Y319 HydrophobicContact CB-CD1 4.5Å; R305-Y319 CarbonylContact O-C 3.57Å; R305-Y319 WeakPolarHBondContact O-CA 3.37Å; R305-Y319 WeakPolarHBondContact O-CD1 3.32Å; S314-Y319 VanDerWaalsContact CB-CZ 3.49Å; S314-Y319 WeakPolarHBondContact OG-CE2 3.28Å; S314-Y319 PolarHBondContact OG-OH 3.11Å
320D95.1Very high84.7Confident15 Ų1551 Ų518%0.0828%0.275CS..EExtended strand (participates in β ladder)trans-80.4116.8162.4179.4-71.5000109R277 S279 V280 H281 P304 R305R277-D320 IonicContact CZ-OD1 3.34Å; R277-D320 IonicContact NE-OD1 3.43Å; R277-D320 IonicContact NH2-OD1 3.11Å; R277-D320 PolarHBondContact NH2-OD1 3.04Å; S279-D320 WeakPolarHBondContact CB-OD1 3.25Å; S279-D320 VanDerWaalsContact CB-OD2 3.25Å; S279-D320 WeakPolarHBondContact CB-OD2 3.5Å; S279-D320 PolarHBondContact OG-OD2 3.21Å; V280-D320 CarbonylContact O-C 3.53Å; V280-D320 VanDerWaalsContact O-CA 3.26Å; V280-D320 WeakPolarHBondContact O-CA 3.38Å; H281-D320 IonicContact CD2-OD2 3.14Å; H281-D320 IonicContact NE2-OD2 2.66Å; P304-D320 CarbonylContact C-O 3.55Å; P304-D320 WeakPolarHBondContact CA-O 3.38Å; R305-D320 HydrophobicContact CB-CB 4.28Å; R305-D320 PolarHBondContact N-O 3.23Å; R305-D320 PolarHBondContact O-N 2.91Å
321L97.5Very high87.1Confident0 Ų046 Ų460%025%0.252CS..EExtended strand (participates in β ladder)trans-110.2123.1176.4-57.4179.8000108.9S279 V280 A282 I284 I302 P304 V342 L345S279-L321 CarbonylContact C-O 3.6Å; S279-L321 WeakPolarHBondContact CA-O 3.2Å; S279-L321 WeakPolarHBondContact CB-O 3.19Å; V280-L321 HydrophobicContact CG2-CB 3.96Å; V280-L321 HydrophobicContact CG2-CD1 4.44Å; V280-L321 PolarHBondContact N-O 2.9Å; V280-L321 PolarHBondContact O-N 3.39Å; A282-L321 HydrophobicContact CB-CD1 4.24Å; I284-L321 HydrophobicContact CD1-CD1 4.1Å; I284-L321 HydrophobicContact CD1-CD2 3.95Å; I284-L321 HydrophobicContact CD1-CG 4.41Å; I302-L321 HydrophobicContact CG2-CB 3.95Å; I302-L321 HydrophobicContact CG2-CD2 4.22Å; P304-L321 HydrophobicContact CB-CD2 3.99Å; L321-V342 HydrophobicContact CB-CG2 3.93Å; L321-L345 HydrophobicContact CD1-CD1 4.25Å
322S98Very high89.6Confident0 Ų039.7 Ų39.70%022%0.224CC..EExtended strand (participates in β ladder)trans-138.1158.9-176.464.10000113R277 A278 I302 Q303 K324R277-S322 VanDerWaalsContact CZ-OG 3.23Å; R277-S322 PolarHBondContact NH1-OG 3.16Å; R277-S322 PolarHBondContact NH2-OG 2.81Å; R277-S322 VanDerWaalsContact NH2-OG 3.08Å; A278-S322 WeakPolarHBondContact O-CA 3.27Å; A278-S322 WeakPolarHBondContact O-CB 3.28Å; I302-S322 CarbonylContact C-O 3.56Å; I302-S322 VanDerWaalsContact CA-O 3.26Å; I302-S322 WeakPolarHBondContact CA-O 3.35Å; I302-S322 WeakPolarHBondContact CG2-O 3.49Å; Q303-S322 PolarHBondContact N-O 2.98Å; Q303-S322 PolarHBondContact O-N 3.33Å; Q303-S322 PolarHBondContact O-OG 3.03Å; S322-K324 PolarHBondContact O-N 3.49Å
323N98.6Very high91.6Very high0 Ų040.6 Ų40.60%023%0.227CC..EExtended strand (participates in β ladder)trans-54.3137.6166.152.6-48.1000109.9L276 A278 R325 R326 A334 M338L276-N323 PolarHBondContact O-ND2 3.28Å; A278-N323 PolarHBondContact N-OD1 2.87Å; A278-N323 PolarHBondContact O-N 3.31Å; A278-N323 PolarHBondContact O-OD1 3.1Å; N323-R325 PolarHBondContact ND2-O 3.03Å; N323-R326 VanDerWaalsContact CG-NH1 3.35Å; N323-R326 PolarHBondContact ND2-NH1 3.5Å; N323-R326 VanDerWaalsContact O-CZ 3.32Å; N323-R326 PolarHBondContact O-NH1 3.45Å; N323-R326 PolarHBondContact O-NH2 2.87Å; N323-A334 WeakPolarHBondContact CB-O 3.48Å; N323-M338 HydrophobicContact CB-CB 3.88Å
324K95.8Very high93.3Very high69 Ų6932.1 Ų32.130%0.319%0.187SC..  trans-79.1-39.2174.5178.6-176.4168-165.30111.8E298 G301 Q303 S322E298-K324 HydrophobicContact CG-CD 4.34Å; E298-K324 IonicContact OE1-NZ 2.68Å; E298-K324 PolarHBondContact OE1-NZ 3.12Å; G301-K324 WeakPolarHBondContact O-CB 3.48Å; G301-K324 PolarHBondContact O-N 3.3Å; Q303-K324 HydrophobicContact CB-CB 4.28Å; S322-K324 PolarHBondContact O-N 3.49Å
325R97.8Very high94.7Very high111 Ų11130.5 Ų30.542%0.41918%0.176SC..  trans-80.5144.6-172-63.6178.663.4-160.71.6112.1N323 L329 E337N323-R325 PolarHBondContact ND2-O 3.03Å; R325-L329 HydrophobicContact CB-CD1 4.04Å; R325-L329 HydrophobicContact CB-CD2 3.81Å; R325-E337 WeakPolarHBondContact CD-OE2 3.42Å; R325-E337 IonicContact CZ-OE1 3.2Å; R325-E337 IonicContact NE-OE1 3.64Å; R325-E337 IonicContact NH1-OE1 3.5Å; R325-E337 PolarHBondContact NH1-OE1 2.88Å
326R98.6Very high96.2Very high12 Ų1228.8 Ų28.85%0.04517%0.165CC..  trans-131.1-41.8177.1-57.6-74.2177.4-83.6-5.7111.6L272 T274 L276 N323L272-R326 CarbonylContact O-C 3.54Å; L272-R326 VanDerWaalsContact O-CB 3.26Å; L272-R326 WeakPolarHBondContact O-CB 3.48Å; T274-R326 WeakPolarHBondContact CG2-O 3.45Å; T274-R326 PolarHBondContact N-O 2.8Å; T274-R326 PolarHBondContact OG1-O 2.84Å; L276-R326 WeakPolarHBondContact O-CD 3.43Å; L276-R326 PolarHBondContact O-NE 2.92Å; L276-R326 PolarHBondContact O-NH1 3.42Å; N323-R326 VanDerWaalsContact CG-NH1 3.35Å; N323-R326 PolarHBondContact ND2-NH1 3.5Å; N323-R326 VanDerWaalsContact O-CZ 3.32Å; N323-R326 PolarHBondContact O-NH1 3.45Å; N323-R326 PolarHBondContact O-NH2 2.87Å
327L98.7Very high97.2Very high14 Ų1428.2 Ų28.27%0.07315%0.146CC..SBendtrans-100.6150.1-175.9-170.264.5000112I81 H85 I92 H94 L262 L329I81-L327 HydrophobicContact CG2-CD2 3.71Å; H85-L327 HydrophobicContact CB-CB 4.39Å; H85-L327 HydrophobicContact CB-CD2 4.2Å; I92-L327 HydrophobicContact CG2-CD2 4.07Å; H94-L327 HydrophobicContact CB-CD1 4.05Å; L262-L327 WeakPolarHBondContact O-CD1 3.31Å; L327-L329 WeakPolarHBondContact O-CD2 3.46Å
328G98.4Very high97.7Very high31 Ų3127.7 Ų27.732%0.3214%0.14SC..SBendtrans73.820.1178.500000117.3Q93 H94Q93-G328 WeakPolarHBondContact O-CA 3.16Å; H94-G328 PolarHBondContact ND1-N 3.34Å
329L98.8Very high98Very high6 Ų626 Ų263%0.03113%0.131CC..SBendtrans-152.6162.6176.471.4169.2000110.4H94 P95 T274 R325 L327 D333 A334H94-L329 PolarHBondContact CE1-O 3.39Å; P95-L329 VanDerWaalsContact CG-C 3.48Å; T274-L329 WeakPolarHBondContact CG2-O 3.37Å; R325-L329 HydrophobicContact CB-CD1 4.04Å; R325-L329 HydrophobicContact CB-CD2 3.81Å; L327-L329 WeakPolarHBondContact O-CD2 3.46Å; L329-D333 HydrophobicContact CB-CB 3.85Å; L329-D333 HydrophobicContact CD1-CB 3.89Å; L329-D333 HydrophobicContact CG-CB 4.19Å; L329-A334 HydrophobicContact CD1-CB 3.96Å; L329-A334 HydrophobicContact CG-CB 4.33Å
330T98.8Very high98.2Very high16 Ų1627.1 Ų27.110%0.09815%0.145CC..  trans-80.5168.8177.966.50000112.3P95 N98 T274 L332 D333 A334P95-T330 HydrophobicContact CB-CG2 4.06Å; P95-T330 HydrophobicContact CG-CG2 3.77Å; N98-T330 HydrophobicContact CB-CG2 3.99Å; T274-T330 VanDerWaalsContact CG2-C 3.46Å; T330-L332 VanDerWaalsContact C-N 3.29Å; T330-L332 PolarHBondContact O-N 3.09Å; T330-D333 WeakPolarHBondContact CB-OD2 3.5Å; T330-D333 PolarHBondContact N-OD2 3.06Å; T330-D333 PolarHBondContact O-N 3.21Å; T330-D333 PolarHBondContact OG1-N 3.32Å; T330-D333 VanDerWaalsContact OG1-N 3.14Å; T330-D333 PolarHBondContact OG1-OD2 2.9Å; T330-A334 WeakPolarHBondContact O-CB 3.33Å; T330-A334 PolarHBondContact O-N 3.48Å
331E98.8Very high98.4Very high0 Ų026.6 Ų26.60%014%0.143CC..Hα-helixtrans-61-38.5173-66.689.9159.900112S97 N98 F99 R126 T274 L276 A334 V335S97-E331 WeakPolarHBondContact CA-OE2 3.41Å; S97-E331 PolarHBondContact OG-OE1 2.93Å; S97-E331 PolarHBondContact OG-OE2 3.39Å; N98-E331 PolarHBondContact N-OE2 2.7Å; N98-E331 PolarHBondContact O-N 3.43Å; F99-E331 HydrophobicContact CD1-CB 3.83Å; F99-E331 HydrophobicContact CD1-CG 4.28Å; F99-E331 HydrophobicContact CD2-CB 4.42Å; F99-E331 HydrophobicContact CD2-CG 4.41Å; F99-E331 HydrophobicContact CE1-CB 3.81Å; F99-E331 HydrophobicContact CE1-CG 3.79Å; F99-E331 HydrophobicContact CE2-CB 4.4Å; F99-E331 HydrophobicContact CE2-CG 3.94Å; F99-E331 HydrophobicContact CG-CB 4.15Å; F99-E331 HydrophobicContact CZ-CB 4.1Å; F99-E331 HydrophobicContact CZ-CG 3.61Å; R126-E331 IonicContact NH2-OE1 2.65Å; T274-E331 HydrophobicContact CG2-CG 4.17Å; L276-E331 HydrophobicContact CD1-CB 3.94Å; L276-E331 HydrophobicContact CD1-CG 4.23Å; E331-A334 PolarHBondContact O-N 2.89Å; E331-V335 PolarHBondContact O-N 2.99Å
332L98.7Very high98.4Very high39 Ų3926.6 Ų26.620%0.20414%0.143CC..Hα-helixtrans-61.7-45.9174179.362.4000111.7N98 L105 Y240 T330 A334 V335 T336N98-L332 PolarHBondContact O-N 3.19Å; L105-L332 HydrophobicContact CD1-CD1 3.58Å; L105-L332 HydrophobicContact CD2-CD1 4.03Å; L105-L332 HydrophobicContact CG-CD1 4.48Å; Y240-L332 PolarHBondContact OH-N 2.99Å; T330-L332 VanDerWaalsContact C-N 3.29Å; T330-L332 PolarHBondContact O-N 3.09Å; L332-A334 VanDerWaalsContact C-N 3.31Å; L332-A334 PolarHBondContact O-N 3.38Å; L332-V335 WeakPolarHBondContact O-CG1 3.3Å; L332-T336 VanDerWaalsContact O-CB 3.23Å; L332-T336 WeakPolarHBondContact O-CB 3.22Å; L332-T336 PolarHBondContact O-N 3.37Å; L332-T336 PolarHBondContact O-OG1 3.32Å
333D98.6Very high98.5Very high72 Ų7231.4 Ų31.439%0.38516%0.161SC..Hα-helixtrans-61-44.1177.3-59.7-41.1000110.6L329 T330 T336 E337L329-D333 HydrophobicContact CB-CB 3.85Å; L329-D333 HydrophobicContact CD1-CB 3.89Å; L329-D333 HydrophobicContact CG-CB 4.19Å; T330-D333 WeakPolarHBondContact CB-OD2 3.5Å; T330-D333 PolarHBondContact N-OD2 3.06Å; T330-D333 PolarHBondContact O-N 3.21Å; T330-D333 PolarHBondContact OG1-N 3.32Å; T330-D333 VanDerWaalsContact OG1-N 3.14Å; T330-D333 PolarHBondContact OG1-OD2 2.9Å; D333-T336 PolarHBondContact O-N 3.35Å; D333-E337 WeakPolarHBondContact O-CB 3.41Å; D333-E337 WeakPolarHBondContact O-CG 3.4Å; D333-E337 PolarHBondContact O-N 3.44Å
334A98.6Very high98.5Very high0 Ų032.6 Ų32.60%017%0.171CC..Hα-helixtrans-63.9-43-177.600000112.9T274 L276 N323 L329 T330 E331 L332 M338T274-A334 HydrophobicContact CG2-CB 4.4Å; L276-A334 HydrophobicContact CD2-CB 4.01Å; N323-A334 WeakPolarHBondContact CB-O 3.48Å; L329-A334 HydrophobicContact CD1-CB 3.96Å; L329-A334 HydrophobicContact CG-CB 4.33Å; T330-A334 WeakPolarHBondContact O-CB 3.33Å; T330-A334 PolarHBondContact O-N 3.48Å; E331-A334 PolarHBondContact O-N 2.89Å; L332-A334 VanDerWaalsContact C-N 3.31Å; L332-A334 PolarHBondContact O-N 3.38Å; A334-M338 PolarHBondContact O-N 2.8Å; A334-M338 VanDerWaalsContact O-N 3.1Å
335V98.6Very high98.6Very high0 Ų029.3 Ų29.30%016%0.157CC..Hα-helixtrans-73.2-31.7175.972.10000111.9F107 L236 Y240 A278 E331 L332 M338 H339F107-V335 HydrophobicContact CE2-CG1 3.95Å; F107-V335 HydrophobicContact CE2-CG2 4.28Å; F107-V335 HydrophobicContact CZ-CG1 3.87Å; L236-V335 HydrophobicContact CD1-CG2 4.11Å; L236-V335 HydrophobicContact CD2-CG2 3.87Å; L236-V335 HydrophobicContact CG-CG2 4.14Å; Y240-V335 HydrophobicContact CD2-CB 3.94Å; Y240-V335 HydrophobicContact CD2-CG1 3.95Å; Y240-V335 HydrophobicContact CD2-CG2 3.78Å; Y240-V335 HydrophobicContact CE1-CG1 4.21Å; Y240-V335 HydrophobicContact CE2-CB 3.79Å; Y240-V335 HydrophobicContact CE2-CG1 3.54Å; Y240-V335 HydrophobicContact CE2-CG2 4.17Å; Y240-V335 HydrophobicContact CG-CG1 4.43Å; Y240-V335 HydrophobicContact CG-CG2 4.24Å; A278-V335 HydrophobicContact CB-CG2 4.24Å; E331-V335 PolarHBondContact O-N 2.99Å; L332-V335 WeakPolarHBondContact O-CG1 3.3Å; V335-M338 WeakPolarHBondContact O-CB 3.42Å; V335-M338 PolarHBondContact O-N 2.7Å; V335-H339 WeakPolarHBondContact O-CB 3.38Å; V335-H339 PolarHBondContact O-N 3.37Å
336T98.6Very high98.7Very high52 Ų5224 Ų2432%0.31914%0.137SC..Hα-helixtrans-68.9-42.6176.9-59.10000111.5L332 D333 M338 H339 S340L332-T336 VanDerWaalsContact O-CB 3.23Å; L332-T336 WeakPolarHBondContact O-CB 3.22Å; L332-T336 PolarHBondContact O-N 3.37Å; L332-T336 PolarHBondContact O-OG1 3.32Å; D333-T336 PolarHBondContact O-N 3.35Å; T336-M338 VanDerWaalsContact C-N 3.34Å; T336-H339 PolarHBondContact O-N 2.9Å; T336-S340 WeakPolarHBondContact O-CB 3.38Å; T336-S340 PolarHBondContact O-N 2.94Å; T336-S340 PolarHBondContact O-OG 2.78Å
337E98.6Very high98.7Very high53 Ų5326.6 Ų26.625%0.24815%0.15CC..Hα-helixtrans-60.8-44171.2-78.2-172.8-178.300111.3R325 D333 G341R325-E337 WeakPolarHBondContact CD-OE2 3.42Å; R325-E337 IonicContact CZ-OE1 3.2Å; R325-E337 IonicContact NE-OE1 3.64Å; R325-E337 IonicContact NH1-OE1 3.5Å; R325-E337 PolarHBondContact NH1-OE1 2.88Å; D333-E337 WeakPolarHBondContact O-CB 3.41Å; D333-E337 WeakPolarHBondContact O-CG 3.4Å; D333-E337 PolarHBondContact O-N 3.44Å; E337-G341 PolarHBondContact O-N 3.49Å
338M98.7Very high98.7Very high0 Ų026 Ų260%015%0.147CC..Hα-helixtrans-57.5-52.9175.3-175.8-85.3-155.400110.9L236 A278 S279 V280 N323 A334 V335 T336 S340 G341 V342L236-M338 HydrophobicContact CD1-CE 4.35Å; L236-M338 HydrophobicContact CD2-SD 3.92Å; A278-M338 HydrophobicContact CB-CB 4Å; A278-M338 HydrophobicContact CB-CE 4.02Å; A278-M338 HydrophobicContact CB-CG 3.68Å; A278-M338 HydrophobicContact CB-SD 4.15Å; A278-M338 WeakPolarHBondContact O-CG 3.24Å; S279-M338 VanDerWaalsContact CA-CE 3.47Å; V280-M338 HydrophobicContact CG1-CE 3.87Å; N323-M338 HydrophobicContact CB-CB 3.88Å; A334-M338 PolarHBondContact O-N 2.8Å; A334-M338 VanDerWaalsContact O-N 3.1Å; V335-M338 WeakPolarHBondContact O-CB 3.42Å; V335-M338 PolarHBondContact O-N 2.7Å; T336-M338 VanDerWaalsContact C-N 3.34Å; M338-S340 PolarHBondContact O-N 2.99Å; M338-G341 PolarHBondContact O-N 3.11Å; M338-V342 HydrophobicContact CE-CG2 4.29Å; M338-V342 HydrophobicContact CG-CG2 4.2Å; M338-V342 VanDerWaalsContact O-CB 3.27Å; M338-V342 WeakPolarHBondContact O-CB 3.28Å; M338-V342 VanDerWaalsContact O-CG2 3.23Å; M338-V342 WeakPolarHBondContact O-CG2 3.21Å; M338-V342 PolarHBondContact O-N 3.48Å; M338-V342 HydrophobicContact SD-CB 4.45Å; M338-V342 HydrophobicContact SD-CG2 3.94Å
339H98.8Very high98.7Very high14 Ų1424.6 Ų24.67%0.06513%0.131CC..Hα-helixtrans-60.7-49.5-176.7-179.7-93.2000111.5F107 T108 L236 V335 T336 G341 R343F107-H339 HydrophobicContact CD1-CB 4.03Å; F107-H339 AromaticContact CD1-CG 3.73Å; F107-H339 AromaticContact CD1-ND1 3.87Å; F107-H339 HydrophobicContact CE1-CB 4.32Å; T108-H339 PolarHBondContact O-NE2 2.99Å; T108-H339 PolarHBondContact OG1-CE1 2.85Å; T108-H339 PolarHBondContact OG1-NE2 2.93Å; L236-H339 HydrophobicContact CD2-CB 3.79Å; V335-H339 WeakPolarHBondContact O-CB 3.38Å; V335-H339 PolarHBondContact O-N 3.37Å; T336-H339 PolarHBondContact O-N 2.9Å; H339-G341 PolarHBondContact O-N 2.89Å; H339-R343 WeakPolarHBondContact O-CB 3.35Å; H339-R343 PolarHBondContact O-N 3.22Å
340S98.6Very high98.7Very high65 Ų6526.7 Ų26.746%0.45515%0.145SC..Hα-helixtrans-63.3-44.6-178.9-56.60000111.8T336 M338 A344T336-S340 WeakPolarHBondContact O-CB 3.38Å; T336-S340 PolarHBondContact O-N 2.94Å; T336-S340 PolarHBondContact O-OG 2.78Å; M338-S340 PolarHBondContact O-N 2.99Å; S340-A344 PolarHBondContact O-N 2.99Å; S340-A344 VanDerWaalsContact O-N 3.12Å
341G98.6Very high98.7Very high4 Ų428.9 Ų28.94%0.04116%0.155CC..Hα-helixtrans-68-46.9179.500000112.4H300 E337 M338 H339 R343 A344 L345H300-G341 WeakPolarHBondContact O-CA 3.26Å; E337-G341 PolarHBondContact O-N 3.49Å; M338-G341 PolarHBondContact O-N 3.11Å; H339-G341 PolarHBondContact O-N 2.89Å; G341-R343 PolarHBondContact O-N 3.04Å; G341-A344 PolarHBondContact O-N 3.46Å; G341-L345 VanDerWaalsContact O-CG 3.31Å; G341-L345 WeakPolarHBondContact O-CG 3.26Å; G341-L345 PolarHBondContact O-N 3.1Å; G341-L345 VanDerWaalsContact O-N 3.1Å
342V98.8Very high98.7Very high0 Ų028.9 Ų28.90%016%0.155CC..Hα-helixtrans-62.3-44.9177171.50000110.6L110 V280 I302 L321 M338 A344 L345 L346L110-V342 HydrophobicContact CD1-CG1 4.03Å; L110-V342 HydrophobicContact CD2-CB 4.45Å; L110-V342 HydrophobicContact CD2-CG1 4.06Å; V280-V342 HydrophobicContact CG2-CG1 3.59Å; V280-V342 HydrophobicContact CG2-CG2 4.24Å; I302-V342 HydrophobicContact CD1-CG2 3.94Å; I302-V342 HydrophobicContact CG1-CG2 4.46Å; L321-V342 HydrophobicContact CB-CG2 3.93Å; M338-V342 HydrophobicContact CE-CG2 4.29Å; M338-V342 HydrophobicContact CG-CG2 4.2Å; M338-V342 VanDerWaalsContact O-CB 3.27Å; M338-V342 WeakPolarHBondContact O-CB 3.28Å; M338-V342 VanDerWaalsContact O-CG2 3.23Å; M338-V342 WeakPolarHBondContact O-CG2 3.21Å; M338-V342 PolarHBondContact O-N 3.48Å; M338-V342 HydrophobicContact SD-CB 4.45Å; M338-V342 HydrophobicContact SD-CG2 3.94Å; V342-A344 VanDerWaalsContact C-N 3.34Å; V342-A344 PolarHBondContact O-N 2.81Å; V342-L345 PolarHBondContact O-N 3.38Å; V342-L345 VanDerWaalsContact O-N 3.15Å; V342-L346 HydrophobicContact CG1-CD1 3.87Å; V342-L346 HydrophobicContact CG1-CG 4.06Å; V342-L346 VanDerWaalsContact O-CG 3.31Å; V342-L346 WeakPolarHBondContact O-CG 3.31Å; V342-L346 PolarHBondContact O-N 2.89Å
343R98.7Very high98.6Very high101 Ų10130.7 Ų30.738%0.38116%0.162SC..Hα-helixtrans-51.1-52.6174.1168.9-179.8176.2177.20.5111.6L110 Y113 H339 G341 L345 L346 E347L110-R343 HydrophobicContact CD2-CB 4.38Å; Y113-R343 HydrophobicContact CD1-CG 4.27Å; Y113-R343 HydrophobicContact CD2-CB 4.34Å; Y113-R343 HydrophobicContact CD2-CG 4.02Å; Y113-R343 HydrophobicContact CE1-CG 3.88Å; Y113-R343 HydrophobicContact CE2-CB 4.04Å; Y113-R343 HydrophobicContact CE2-CG 3.62Å; Y113-R343 HydrophobicContact CG-CG 4.35Å; Y113-R343 VanDerWaalsContact CZ-CD 3.46Å; Y113-R343 VanDerWaalsContact OH-CD 3.28Å; Y113-R343 WeakPolarHBondContact OH-CD 3.36Å; Y113-R343 PolarHBondContact OH-NE 3.25Å; H339-R343 WeakPolarHBondContact O-CB 3.35Å; H339-R343 PolarHBondContact O-N 3.22Å; G341-R343 PolarHBondContact O-N 3.04Å; R343-L345 VanDerWaalsContact C-N 3.28Å; R343-L345 PolarHBondContact O-N 3.08Å; R343-L346 PolarHBondContact O-N 3.25Å; R343-E347 HydrophobicContact CG-CG 4.37Å; R343-E347 IonicContact CZ-OE1 2.76Å; R343-E347 IonicContact NE-OE1 3.36Å; R343-E347 PolarHBondContact NE-OE1 3.47Å; R343-E347 IonicContact NE-OE2 2.98Å; R343-E347 IonicContact NH2-OE1 3.74Å; R343-E347 PolarHBondContact NH2-OE1 3.38Å; R343-E347 WeakPolarHBondContact O-CG 3.35Å; R343-E347 PolarHBondContact O-N 3.03Å
344A98.6Very high98.6Very high26 Ų2634.5 Ų34.522%0.21518%0.177CC..Hα-helixtrans-60.7-38.1-178.700000112.3S340 G341 V342 L348S340-A344 PolarHBondContact O-N 2.99Å; S340-A344 VanDerWaalsContact O-N 3.12Å; G341-A344 PolarHBondContact O-N 3.46Å; V342-A344 VanDerWaalsContact C-N 3.34Å; V342-A344 PolarHBondContact O-N 2.81Å; A344-L348 VanDerWaalsContact O-CB 3.31Å; A344-L348 WeakPolarHBondContact O-CB 3.43Å; A344-L348 PolarHBondContact O-N 2.73Å
345L98.8Very high98.6Very high0 Ų036.4 Ų36.40%019%0.185CC..Hα-helixtrans-69.4-37.6176.2-63.6176000112.7L287 I296 C297 I302 L321 G341 V342 R343 L348 E349L287-L345 HydrophobicContact CD2-CB 3.83Å; L287-L345 HydrophobicContact CD2-CD2 4.01Å; L287-L345 HydrophobicContact CD2-CG 4.41Å; I296-L345 HydrophobicContact CG2-CD2 3.81Å; C297-L345 HydrophobicContact CB-CD1 4.36Å; I302-L345 HydrophobicContact CB-CD1 3.89Å; I302-L345 HydrophobicContact CG1-CD1 3.91Å; I302-L345 HydrophobicContact CG2-CD1 3.78Å; L321-L345 HydrophobicContact CD1-CD1 4.25Å; G341-L345 VanDerWaalsContact O-CG 3.31Å; G341-L345 WeakPolarHBondContact O-CG 3.26Å; G341-L345 PolarHBondContact O-N 3.1Å; G341-L345 VanDerWaalsContact O-N 3.1Å; V342-L345 PolarHBondContact O-N 3.38Å; V342-L345 VanDerWaalsContact O-N 3.15Å; R343-L345 VanDerWaalsContact C-N 3.28Å; R343-L345 PolarHBondContact O-N 3.08Å; L345-L348 PolarHBondContact O-N 3.3Å; L345-E349 PolarHBondContact O-N 3.18Å
346L98.8Very high98.6Very high0 Ų036.8 Ų36.80%019%0.187CC..Hα-helixtrans-69.3-44.7176-65.1179.2000111.6L110 L116 V117 A282 I284 V342 R343 L348 E349 V350L110-L346 HydrophobicContact CB-CD1 4.12Å; L110-L346 HydrophobicContact CD2-CD1 4.42Å; L110-L346 WeakPolarHBondContact O-CD1 3.22Å; L116-L346 HydrophobicContact CB-CD2 4.04Å; L116-L346 HydrophobicContact CD1-CD2 4.07Å; V117-L346 HydrophobicContact CG2-CD1 3.77Å; A282-L346 HydrophobicContact CB-CD2 3.81Å; I284-L346 HydrophobicContact CG2-CD2 4.02Å; V342-L346 HydrophobicContact CG1-CD1 3.87Å; V342-L346 HydrophobicContact CG1-CG 4.06Å; V342-L346 VanDerWaalsContact O-CG 3.31Å; V342-L346 WeakPolarHBondContact O-CG 3.31Å; V342-L346 PolarHBondContact O-N 2.89Å; R343-L346 PolarHBondContact O-N 3.25Å; L346-L348 PolarHBondContact O-N 3.03Å; L346-E349 PolarHBondContact O-N 2.91Å; L346-V350 WeakPolarHBondContact O-CG2 3.37Å; L346-V350 PolarHBondContact O-N 2.69Å
347E98.7Very high98.6Very high66 Ų6643 Ų4331%0.30821%0.21SC..Hα-helixtrans-56.8-40.2172.1-72.5173.5167.700110.6Y113 R343 V350 M351Y113-E347 HydrophobicContact CD1-CG 3.53Å; Y113-E347 WeakPolarHBondContact CD1-OE1 3.37Å; Y113-E347 HydrophobicContact CE1-CG 4.17Å; Y113-E347 WeakPolarHBondContact CE1-OE1 3.47Å; Y113-E347 HydrophobicContact CG-CG 4.1Å; R343-E347 HydrophobicContact CG-CG 4.37Å; R343-E347 IonicContact CZ-OE1 2.76Å; R343-E347 IonicContact NE-OE1 3.36Å; R343-E347 PolarHBondContact NE-OE1 3.47Å; R343-E347 IonicContact NE-OE2 2.98Å; R343-E347 IonicContact NH2-OE1 3.74Å; R343-E347 PolarHBondContact NH2-OE1 3.38Å; R343-E347 WeakPolarHBondContact O-CG 3.35Å; R343-E347 PolarHBondContact O-N 3.03Å; E347-V350 PolarHBondContact O-N 2.92Å; E347-M351 WeakPolarHBondContact O-CG 3.47Å; E347-M351 PolarHBondContact O-N 2.9Å
348L98.7Very high98.5Very high2 Ų244.4 Ų44.41%0.0124%0.238CC..Hα-helixtrans-67.2-39.8176.2-175.759.1000113.5L287 I296 A344 L345 L346 V350 M351 L352 E367 Y371L287-L348 HydrophobicContact CD1-CD2 3.88Å; L287-L348 HydrophobicContact CD1-CG 4.46Å; I296-L348 HydrophobicContact CG2-CD2 4.14Å; A344-L348 VanDerWaalsContact O-CB 3.31Å; A344-L348 WeakPolarHBondContact O-CB 3.43Å; A344-L348 PolarHBondContact O-N 2.73Å; L345-L348 PolarHBondContact O-N 3.3Å; L346-L348 PolarHBondContact O-N 3.03Å; L348-V350 VanDerWaalsContact C-N 3.34Å; L348-M351 HydrophobicContact CB-CE 4.32Å; L348-M351 HydrophobicContact CD1-CE 4.04Å; L348-M351 PolarHBondContact O-N 3.44Å; L348-L352 HydrophobicContact CD1-CG 4.48Å; L348-L352 HydrophobicContact CG-CD1 4.15Å; L348-L352 WeakPolarHBondContact O-CB 3.43Å; L348-L352 VanDerWaalsContact O-CG 3.29Å; L348-L352 WeakPolarHBondContact O-CG 3.42Å; L348-L352 PolarHBondContact O-N 3.4Å; L348-E367 HydrophobicContact CD1-CB 4.43Å; L348-E367 HydrophobicContact CD1-CG 3.84Å; L348-Y371 HydrophobicContact CD1-CD1 4.43Å; L348-Y371 HydrophobicContact CD1-CE1 4.13Å; L348-Y371 HydrophobicContact CD1-CE2 4.29Å
349E98.7Very high98.5Very high0 Ų045.8 Ų45.80%025%0.25CC..Hα-helixtrans-60.9-43.5172.7176.466.2-166.800111.3L116 I284 P285 M286 L287 L345 L346 L352 Q353L116-E349 HydrophobicContact CD1-CB 3.95Å; L116-E349 HydrophobicContact CD1-CG 3.65Å; I284-E349 HydrophobicContact CB-CB 4.46Å; I284-E349 HydrophobicContact CB-CG 4.28Å; I284-E349 HydrophobicContact CG2-CB 3.99Å; I284-E349 HydrophobicContact CG2-CG 4.05Å; P285-E349 VanDerWaalsContact CD-OE1 3.23Å; P285-E349 WeakPolarHBondContact CD-OE1 3.32Å; M286-E349 PolarHBondContact N-OE1 2.93Å; M286-E349 PolarHBondContact N-OE2 3.2Å; L287-E349 VanDerWaalsContact CB-OE2 3.25Å; L287-E349 WeakPolarHBondContact CB-OE2 3.39Å; L287-E349 PolarHBondContact N-OE2 3.49Å; L345-E349 PolarHBondContact O-N 3.18Å; L346-E349 PolarHBondContact O-N 2.91Å; E349-L352 PolarHBondContact O-N 3.33Å; E349-Q353 WeakPolarHBondContact O-CG 3.16Å; E349-Q353 PolarHBondContact O-N 2.73Å; E349-Q353 PolarHBondContact OE1-NE2 3.19Å
350V98.8Very high98.5Very high51 Ų5148 Ų4831%0.30927%0.265SS..Hα-helixtrans-60.4-47.5176173.60000110.6L116 L346 E347 L348 L352 Q353 E354L116-V350 HydrophobicContact CD1-CG2 4.32Å; L346-V350 WeakPolarHBondContact O-CG2 3.37Å; L346-V350 PolarHBondContact O-N 2.69Å; E347-V350 PolarHBondContact O-N 2.92Å; L348-V350 VanDerWaalsContact C-N 3.34Å; V350-L352 VanDerWaalsContact C-N 3.32Å; V350-L352 PolarHBondContact O-N 3.41Å; V350-Q353 PolarHBondContact O-N 3.39Å; V350-E354 PolarHBondContact O-N 3.31Å
351M98.7Very high98.3Very high62 Ų6254 Ų5431%0.30529%0.286SS..Hα-helixtrans-59.1-41.3176.1-76.4-171.8-73.700112.4E347 L348 Y355 P368 Y371E347-M351 WeakPolarHBondContact O-CG 3.47Å; E347-M351 PolarHBondContact O-N 2.9Å; L348-M351 HydrophobicContact CB-CE 4.32Å; L348-M351 HydrophobicContact CD1-CE 4.04Å; L348-M351 PolarHBondContact O-N 3.44Å; M351-Y355 WeakPolarHBondContact O-CB 3.49Å; M351-Y355 PolarHBondContact O-N 3.49Å; M351-P368 HydrophobicContact CB-CG 3.84Å; M351-P368 HydrophobicContact CG-CG 4.32Å; M351-P368 HydrophobicContact SD-CG 4.28Å; M351-Y371 HydrophobicContact CE-CD2 4.14Å; M351-Y371 HydrophobicContact CE-CE2 4.44Å
352L98.7Very high98.2Very high0 Ų055.8 Ų55.80%030%0.304CS..Hα-helixtrans-64.1-45.6176.7-77.2163.6000111.6M286 L287 L290 L348 E349 V350 E354 N356 V366 E367M286-L352 HydrophobicContact CB-CB 3.92Å; M286-L352 HydrophobicContact CB-CD1 4.31Å; M286-L352 HydrophobicContact SD-CB 4.19Å; L287-L352 HydrophobicContact CB-CD1 3.93Å; L290-L352 HydrophobicContact CD1-CD1 3.93Å; L290-L352 HydrophobicContact CD1-CD2 4.47Å; L290-L352 HydrophobicContact CD2-CD2 4.49Å; L348-L352 HydrophobicContact CD1-CG 4.48Å; L348-L352 HydrophobicContact CG-CD1 4.15Å; L348-L352 WeakPolarHBondContact O-CB 3.43Å; L348-L352 VanDerWaalsContact O-CG 3.29Å; L348-L352 WeakPolarHBondContact O-CG 3.42Å; L348-L352 PolarHBondContact O-N 3.4Å; E349-L352 PolarHBondContact O-N 3.33Å; V350-L352 VanDerWaalsContact C-N 3.32Å; V350-L352 PolarHBondContact O-N 3.41Å; L352-E354 VanDerWaalsContact C-N 3.34Å; L352-E354 PolarHBondContact O-N 2.64Å; L352-N356 VanDerWaalsContact O-CB 3.32Å; L352-N356 WeakPolarHBondContact O-CB 3.44Å; L352-N356 PolarHBondContact O-N 3.33Å; L352-N356 PolarHBondContact O-ND2 3.36Å; L352-V366 VanDerWaalsContact CD2-C 3.45Å; L352-E367 HydrophobicContact CD2-CG 4.15Å
353Q98.1Very high98.2Very high76 Ų7656.5 Ų56.536%0.35531%0.308SS..Hα-helixtrans-62.6-41.5178.8-72.7-172.915.300112.1M286 E349 V350 K357M286-Q353 HydrophobicContact CE-CG 4.18Å; M286-Q353 HydrophobicContact CG-CG 4.31Å; M286-Q353 VanDerWaalsContact SD-CA 3.57Å; M286-Q353 HydrophobicContact SD-CB 4.34Å; M286-Q353 HydrophobicContact SD-CG 3.89Å; E349-Q353 WeakPolarHBondContact O-CG 3.16Å; E349-Q353 PolarHBondContact O-N 2.73Å; E349-Q353 PolarHBondContact OE1-NE2 3.19Å; V350-Q353 PolarHBondContact O-N 3.39Å; Q353-K357 PolarHBondContact O-N 3.29Å
354E98.4Very high98.2Very high152 Ų15251.9 Ų51.971%0.7129%0.291SS*.Hα-helixtrans-68.4-50.6178-173.2172.9-172.800111.7V350 L352 N356 K357V350-E354 PolarHBondContact O-N 3.31Å; L352-E354 VanDerWaalsContact C-N 3.34Å; L352-E354 PolarHBondContact O-N 2.64Å; E354-N356 VanDerWaalsContact C-N 3.27Å; E354-N356 PolarHBondContact O-N 2.84Å; E354-K357 WeakPolarHBondContact O-CB 3.46Å; E354-K357 PolarHBondContact O-N 3.47Å
355Y98.5Very high98.2Very high41 Ų4151.6 Ų51.616%0.16129%0.287CS..Hα-helixtrans-70.3-22.2-174.4-159.8-100.8000113.5M351 V366 P368 D399 G400 R402 A410M351-Y355 WeakPolarHBondContact O-CB 3.49Å; M351-Y355 PolarHBondContact O-N 3.49Å; Y355-V366 HydrophobicContact CD1-CG1 4.16Å; Y355-V366 HydrophobicContact CE1-CG1 4.08Å; Y355-P368 HydrophobicContact CD2-CB 3.92Å; Y355-P368 HydrophobicContact CD2-CG 4.15Å; Y355-P368 HydrophobicContact CE2-CB 4.18Å; Y355-P368 HydrophobicContact CG-CB 4.26Å; Y355-P368 HydrophobicContact CG-CG 4.15Å; Y355-D399 VanDerWaalsContact CE2-OD1 3.29Å; Y355-D399 WeakPolarHBondContact CE2-OD1 3.31Å; Y355-D399 PolarHBondContact OH-OD1 2.85Å; Y355-G400 PolarHBondContact OH-N 2.91Å; Y355-R402 PolarHBondContact O-NH2 3.03Å; Y355-A410 HydrophobicContact CE1-CB 4.06Å
356N98.7Very high98.2Very high8 Ų851.6 Ų51.64%0.04329%0.287CS..THydrogen-bonded Turntrans-107.312178.6-59.1-75.9000114.4M286 L352 E354 G358 A359 P365 V366 R402M286-N356 HydrophobicContact SD-CB 4.32Å; L352-N356 VanDerWaalsContact O-CB 3.32Å; L352-N356 WeakPolarHBondContact O-CB 3.44Å; L352-N356 PolarHBondContact O-N 3.33Å; L352-N356 PolarHBondContact O-ND2 3.36Å; E354-N356 VanDerWaalsContact C-N 3.27Å; E354-N356 PolarHBondContact O-N 2.84Å; N356-G358 PolarHBondContact O-N 2.93Å; N356-A359 HydrophobicContact CB-CB 4.3Å; N356-A359 VanDerWaalsContact O-CB 3.26Å; N356-A359 WeakPolarHBondContact O-CB 3.33Å; N356-A359 PolarHBondContact O-N 3.1Å; N356-P365 HydrophobicContact CB-CB 4.3Å; N356-V366 PolarHBondContact ND2-N 3.26Å; N356-V366 PolarHBondContact ND2-O 3.22Å; N356-V366 PolarHBondContact OD1-N 2.96Å; N356-V366 VanDerWaalsContact OD1-N 3.12Å; N356-R402 PolarHBondContact OD1-NH2 2.93Å
357K98.1Very high98.2Very high183 Ų18351.6 Ų51.680%0.79629%0.287SS*.THydrogen-bonded Turntrans-58.5122.3175.6-171175.7-178.8177.80110.9Q353 E354 A359Q353-K357 PolarHBondContact O-N 3.29Å; E354-K357 WeakPolarHBondContact O-CB 3.46Å; E354-K357 PolarHBondContact O-N 3.47Å; K357-A359 VanDerWaalsContact C-N 3.29Å; K357-A359 PolarHBondContact O-N 3.22Å
358G97Very high98.2Very high82 Ų8249.2 Ų49.285%0.84528%0.277SS*.THydrogen-bonded Turntrans76.88.2-179.100000115N356N356-G358 PolarHBondContact O-N 2.93Å
359A97.8Very high98.2Very high29 Ų2949.1 Ų49.124%0.2428%0.277CS..PPolyproline II helixtrans-64.3149.4170.400000110.9N356 K357N356-A359 HydrophobicContact CB-CB 4.3Å; N356-A359 VanDerWaalsContact O-CB 3.26Å; N356-A359 WeakPolarHBondContact O-CB 3.33Å; N356-A359 PolarHBondContact O-N 3.1Å; K357-A359 VanDerWaalsContact C-N 3.29Å; K357-A359 PolarHBondContact O-N 3.22Å
360P97.9Very high98.2Very high60 Ų6052.8 Ų52.839%0.3930%0.3SS..PPolyproline II helixtrans-59.8142.8178.4-20.931.8000112.3V363P360-V363 HydrophobicContact CB-CB 4.39Å; P360-V363 HydrophobicContact CB-CG2 3.78Å; P360-V363 HydrophobicContact CG-CG2 4.3Å; P360-V363 WeakPolarHBondContact O-CB 3.36Å; P360-V363 PolarHBondContact O-N 3.32Å
361E95.6Very high98.2Very high192 Ų19252.8 Ų52.890%0.89729%0.294SS*.THydrogen-bonded Turntrans-63.4140.4179.7-171.3178.5-179.400111.6V363E361-V363 PolarHBondContact O-N 3.49Å; E361-V363 VanDerWaalsContact O-N 3.12Å
362G95.9Very high98.2Very high41 Ų4149.9 Ų49.942%0.42328%0.28SS..THydrogen-bonded Turntrans75.3-11.7-179.100000114.8S501 R562G362-S501 WeakPolarHBondContact O-CA 3.29Å; G362-R562 PolarHBondContact O-NH1 3.02Å; G362-R562 VanDerWaalsContact O-NH1 3.14Å
363V98.2Very high98.2Very high14 Ų1450.7 Ų50.79%0.08529%0.287CS..SBendtrans-71139.4167.5177.30000108.9P360 E361 L495 I499P360-V363 HydrophobicContact CB-CB 4.39Å; P360-V363 HydrophobicContact CB-CG2 3.78Å; P360-V363 HydrophobicContact CG-CG2 4.3Å; P360-V363 WeakPolarHBondContact O-CB 3.36Å; P360-V363 PolarHBondContact O-N 3.32Å; E361-V363 PolarHBondContact O-N 3.49Å; E361-V363 VanDerWaalsContact O-N 3.12Å; V363-L495 HydrophobicContact CG2-CD1 3.71Å; V363-I499 VanDerWaalsContact CA-O 3.31Å; V363-I499 WeakPolarHBondContact CA-O 3.31Å; V363-I499 HydrophobicContact CG1-CB 4.07Å; V363-I499 HydrophobicContact CG1-CD1 4.19Å; V363-I499 HydrophobicContact CG1-CG1 4.38Å
364M98.6Very high98.2Very high4 Ų454.1 Ų54.12%0.0230%0.3CS..PPolyproline II helixtrans-54.9126-178.2-174.9168.7164.200111.1L290 P291 H411 R414 I499 G559L290-M364 HydrophobicContact CD2-CE 4.26Å; P291-M364 VanDerWaalsContact CD-CE 3.49Å; P291-M364 HydrophobicContact CG-CE 3.76Å; P291-M364 HydrophobicContact CG-SD 4.2Å; M364-H411 PolarHBondContact O-NE2 3.25Å; M364-R414 VanDerWaalsContact CE-CD 3.47Å; M364-I499 HydrophobicContact CB-CB 4.29Å; M364-I499 HydrophobicContact CB-CG2 4.26Å; M364-I499 PolarHBondContact N-O 2.96Å; M364-G559 WeakPolarHBondContact SD-CA 3.27Å
365P98.5Very high98.2Very high21 Ų2149.8 Ų49.814%0.13628%0.282CS..PPolyproline II helixtrans-71.6149.2166.730-32.7000110M286 S289 L290 N356M286-P365 HydrophobicContact SD-CB 4.45Å; S289-P365 VanDerWaalsContact OG-CG 3.23Å; S289-P365 WeakPolarHBondContact OG-CG 3.09Å; L290-P365 HydrophobicContact CD2-CG 4.48Å; L290-P365 WeakPolarHBondContact CD2-O 3.11Å; N356-P365 HydrophobicContact CB-CB 4.3Å
366V98.9Very high98.2Very high0 Ų048 Ų480%028%0.275CS..  trans-133144.8-178.967.80000112.7L352 Y355 N356 L372 A410 H411L352-V366 VanDerWaalsContact CD2-C 3.45Å; Y355-V366 HydrophobicContact CD1-CG1 4.16Å; Y355-V366 HydrophobicContact CE1-CG1 4.08Å; N356-V366 PolarHBondContact ND2-N 3.26Å; N356-V366 PolarHBondContact ND2-O 3.22Å; N356-V366 PolarHBondContact OD1-N 2.96Å; N356-V366 VanDerWaalsContact OD1-N 3.12Å; V366-L372 HydrophobicContact CG2-CD1 3.8Å; V366-A410 HydrophobicContact CG1-CB 4.04Å; V366-A410 HydrophobicContact CG2-CB 3.86Å; V366-H411 WeakPolarHBondContact CG1-NE2 3.33Å
367E98.8Very high98.2Very high0 Ų053.3 Ų53.30%030%0.3CS..  trans-60.3154.6172.3-56.489.9149.400111.3L290 L348 L352 Y371 L372 A410 R414 Y418L290-E367 HydrophobicContact CD1-CG 4.49Å; L290-E367 WeakPolarHBondContact CD1-OE1 3.35Å; L348-E367 HydrophobicContact CD1-CB 4.43Å; L348-E367 HydrophobicContact CD1-CG 3.84Å; L352-E367 HydrophobicContact CD2-CG 4.15Å; E367-Y371 HydrophobicContact CB-CD1 3.72Å; E367-Y371 HydrophobicContact CB-CE1 4.33Å; E367-Y371 HydrophobicContact CB-CG 4.48Å; E367-Y371 HydrophobicContact CG-CD1 4Å; E367-Y371 HydrophobicContact CG-CE1 4.08Å; E367-L372 HydrophobicContact CB-CD1 4.29Å; E367-L372 HydrophobicContact CB-CD2 3.98Å; E367-L372 HydrophobicContact CB-CG 3.91Å; E367-L372 HydrophobicContact CG-CD2 4.3Å; E367-A410 WeakPolarHBondContact O-CB 3.41Å; E367-R414 IonicContact OE1-CZ 2.92Å; E367-R414 IonicContact OE1-NE 2.74Å; E367-R414 PolarHBondContact OE1-NE 3.32Å; E367-R414 IonicContact OE1-NH2 3.84Å; E367-R414 PolarHBondContact OE1-NH2 3Å; E367-R414 WeakPolarHBondContact OE2-CD 3.43Å; E367-R414 IonicContact OE2-CZ 3.66Å; E367-R414 IonicContact OE2-NE 3.5Å; E367-R414 PolarHBondContact OE2-NE 2.84Å; E367-R414 IonicContact OE2-NH2 3.43Å; E367-Y418 VanDerWaalsContact OE1-CE2 3.3Å; E367-Y418 WeakPolarHBondContact OE1-CE2 3.44Å; E367-Y418 PolarHBondContact OE1-OH 3.34Å
368P98.8Very high98.1Very high15 Ų1547.3 Ų47.310%0.09729%0.289CS..  trans-54.4147.1175.7-2633.9000113M351 Y355 T370 Y371 L372M351-P368 HydrophobicContact CB-CG 3.84Å; M351-P368 HydrophobicContact CG-CG 4.32Å; M351-P368 HydrophobicContact SD-CG 4.28Å; Y355-P368 HydrophobicContact CD2-CB 3.92Å; Y355-P368 HydrophobicContact CD2-CG 4.15Å; Y355-P368 HydrophobicContact CE2-CB 4.18Å; Y355-P368 HydrophobicContact CG-CB 4.26Å; Y355-P368 HydrophobicContact CG-CG 4.15Å; P368-T370 VanDerWaalsContact C-N 3.27Å; P368-T370 PolarHBondContact O-N 3.29Å; P368-Y371 WeakPolarHBondContact O-CB 3.22Å; P368-Y371 PolarHBondContact O-N 2.8Å; P368-Y371 VanDerWaalsContact O-N 3.08Å; P368-L372 PolarHBondContact O-N 2.69Å; P368-L372 VanDerWaalsContact O-N 3.15Å
369L98.9Very high98.2Very high0 Ų043.4 Ų43.40%025%0.249CC..Hα-helixtrans-56.9-42.2-177.4178.959.3000112Y371 L372 A373 L390 I395 D399 L409 A410 I413L369-Y371 PolarHBondContact O-N 3.18Å; L369-L372 PolarHBondContact O-N 3.01Å; L369-A373 VanDerWaalsContact O-CB 3.3Å; L369-A373 WeakPolarHBondContact O-CB 3.43Å; L369-A373 PolarHBondContact O-N 3.22Å; L369-L390 HydrophobicContact CD1-CD1 4.44Å; L369-I395 HydrophobicContact CD2-CB 4.3Å; L369-I395 HydrophobicContact CD2-CG1 4.31Å; L369-I395 HydrophobicContact CD2-CG2 4.01Å; L369-I395 HydrophobicContact CG-CG2 4.32Å; L369-D399 HydrophobicContact CB-CB 4.46Å; L369-D399 WeakPolarHBondContact CB-OD1 3.46Å; L369-D399 HydrophobicContact CD2-CB 3.96Å; L369-L409 HydrophobicContact CD1-CB 4.32Å; L369-L409 HydrophobicContact CD1-CD2 4.3Å; L369-L409 HydrophobicContact CD1-CG 3.94Å; L369-L409 HydrophobicContact CD2-CB 4.37Å; L369-L409 HydrophobicContact CD2-CD2 3.88Å; L369-L409 HydrophobicContact CD2-CG 4.26Å; L369-A410 HydrophobicContact CB-CB 4.17Å; L369-A410 HydrophobicContact CD1-CB 4.27Å; L369-I413 HydrophobicContact CD1-CD1 3.56Å; L369-I413 HydrophobicContact CD1-CG1 4.32Å
370T98.6Very high98.2Very high78 Ų7844.5 Ų44.548%0.47926%0.255SS..Hα-helixtrans-66.4-34.4179.2510000113.1P368 K374 I395P368-T370 VanDerWaalsContact C-N 3.27Å; P368-T370 PolarHBondContact O-N 3.29Å; T370-K374 PolarHBondContact O-N 3.26Å; T370-K374 VanDerWaalsContact O-N 3.12Å; T370-I395 HydrophobicContact CG2-CG2 4.05Å
371Y98.7Very high98.2Very high51 Ų5146.2 Ų46.220%0.226%0.26CS..Hα-helixtrans-64.8-47.8174.3178.2-89.8000110.9L348 M351 E367 P368 L369 K374 L375L348-Y371 HydrophobicContact CD1-CD1 4.43Å; L348-Y371 HydrophobicContact CD1-CE1 4.13Å; L348-Y371 HydrophobicContact CD1-CE2 4.29Å; M351-Y371 HydrophobicContact CE-CD2 4.14Å; M351-Y371 HydrophobicContact CE-CE2 4.44Å; E367-Y371 HydrophobicContact CB-CD1 3.72Å; E367-Y371 HydrophobicContact CB-CE1 4.33Å; E367-Y371 HydrophobicContact CB-CG 4.48Å; E367-Y371 HydrophobicContact CG-CD1 4Å; E367-Y371 HydrophobicContact CG-CE1 4.08Å; P368-Y371 WeakPolarHBondContact O-CB 3.22Å; P368-Y371 PolarHBondContact O-N 2.8Å; P368-Y371 VanDerWaalsContact O-N 3.08Å; L369-Y371 PolarHBondContact O-N 3.18Å; Y371-K374 PolarHBondContact O-N 2.89Å; Y371-L375 HydrophobicContact CD1-CD1 4.23Å; Y371-L375 HydrophobicContact CE1-CD1 3.65Å; Y371-L375 HydrophobicContact CE1-CG 4.34Å; Y371-L375 PolarHBondContact O-N 3.45Å
372L98.8Very high98.2Very high0 Ų045 Ų450%026%0.255CS..Hα-helixtrans-68.2-36.2177.7-65.9178.1000112.5V366 E367 P368 L369 K374 L375 L376 A410 I413 R414 A417 Y418V366-L372 HydrophobicContact CG2-CD1 3.8Å; E367-L372 HydrophobicContact CB-CD1 4.29Å; E367-L372 HydrophobicContact CB-CD2 3.98Å; E367-L372 HydrophobicContact CB-CG 3.91Å; E367-L372 HydrophobicContact CG-CD2 4.3Å; P368-L372 PolarHBondContact O-N 2.69Å; P368-L372 VanDerWaalsContact O-N 3.15Å; L369-L372 PolarHBondContact O-N 3.01Å; L372-K374 VanDerWaalsContact C-N 3.29Å; L372-K374 PolarHBondContact O-N 3.37Å; L372-L375 HydrophobicContact CD2-CD1 4.4Å; L372-L375 PolarHBondContact O-N 2.83Å; L372-L376 WeakPolarHBondContact O-CB 3.33Å; L372-L376 PolarHBondContact O-N 3.37Å; L372-A410 HydrophobicContact CD1-CB 4.12Å; L372-A410 VanDerWaalsContact CD1-O 3.26Å; L372-A410 WeakPolarHBondContact CD1-O 3.31Å; L372-I413 HydrophobicContact CB-CD1 3.85Å; L372-I413 HydrophobicContact CB-CG1 4.17Å; L372-I413 HydrophobicContact CD1-CG1 4.38Å; L372-R414 HydrophobicContact CD1-CB 4.04Å; L372-R414 HydrophobicContact CD1-CG 4.13Å; L372-R414 HydrophobicContact CD2-CG 4.2Å; L372-A417 HydrophobicContact CB-CB 4.07Å; L372-A417 HydrophobicContact CD2-CB 4.03Å; L372-A417 WeakPolarHBondContact O-CB 3.48Å; L372-Y418 HydrophobicContact CD2-CD2 4.47Å; L372-Y418 HydrophobicContact CD2-CE2 3.78Å
373A98.8Very high98.1Very high17 Ų1750.3 Ų50.314%0.1427%0.266CS..Hα-helixtrans-59.6-40.7174.900000111.5L369 L376 E377 L390 I395L369-A373 VanDerWaalsContact O-CB 3.3Å; L369-A373 WeakPolarHBondContact O-CB 3.43Å; L369-A373 PolarHBondContact O-N 3.22Å; A373-L376 WeakPolarHBondContact O-CB 3.34Å; A373-L376 PolarHBondContact O-N 2.8Å; A373-E377 PolarHBondContact O-N 3.01Å; A373-L390 HydrophobicContact CB-CD2 4.03Å; A373-I395 HydrophobicContact CB-CD1 3.87Å
374K98.5Very high98.1Very high149 Ų14949.8 Ų49.865%0.64826%0.263SS*.Hα-helixtrans-62.6-42.3175.1-175175.8-177.8176.20112.4T370 Y371 L372 L376 E377T370-K374 PolarHBondContact O-N 3.26Å; T370-K374 VanDerWaalsContact O-N 3.12Å; Y371-K374 PolarHBondContact O-N 2.89Å; L372-K374 VanDerWaalsContact C-N 3.29Å; L372-K374 PolarHBondContact O-N 3.37Å; K374-L376 VanDerWaalsContact C-N 3.32Å; K374-L376 PolarHBondContact O-N 2.88Å; K374-E377 WeakPolarHBondContact O-CB 3.23Å; K374-E377 PolarHBondContact O-N 3.21Å
375L98.2Very high98.1Very high61 Ų6152.4 Ų52.432%0.31927%0.273SS..Hα-helixtrans-65.2-37.7175.9-65-178.6000112Y371 L372 E377 G378 A417 Y418Y371-L375 HydrophobicContact CD1-CD1 4.23Å; Y371-L375 HydrophobicContact CE1-CD1 3.65Å; Y371-L375 HydrophobicContact CE1-CG 4.34Å; Y371-L375 PolarHBondContact O-N 3.45Å; L372-L375 HydrophobicContact CD2-CD1 4.4Å; L372-L375 PolarHBondContact O-N 2.83Å; L375-E377 PolarHBondContact O-N 3.37Å; L375-G378 PolarHBondContact O-N 2.94Å; L375-A417 HydrophobicContact CB-CB 4.09Å; L375-A417 WeakPolarHBondContact CB-O 3.17Å; L375-Y418 HydrophobicContact CD1-CD1 4.29Å; L375-Y418 HydrophobicContact CD1-CE1 3.74Å; L375-Y418 HydrophobicContact CD1-CE2 4.47Å
376L98.5Very high98.1Very high2 Ų251.4 Ų51.41%0.0127%0.266CS..Hα-helixtrans-66.4-15.3178.6-170.965.4000113.3L372 A373 K374 G378 A379 T386 R387 L390 G416 A417L372-L376 WeakPolarHBondContact O-CB 3.33Å; L372-L376 PolarHBondContact O-N 3.37Å; A373-L376 WeakPolarHBondContact O-CB 3.34Å; A373-L376 PolarHBondContact O-N 2.8Å; K374-L376 VanDerWaalsContact C-N 3.32Å; K374-L376 PolarHBondContact O-N 2.88Å; L376-G378 PolarHBondContact O-N 3.16Å; L376-G378 VanDerWaalsContact O-N 3.1Å; L376-A379 HydrophobicContact CD1-CB 3.99Å; L376-A379 WeakPolarHBondContact O-CB 3.47Å; L376-A379 PolarHBondContact O-N 2.58Å; L376-T386 HydrophobicContact CD1-CG2 4.43Å; L376-T386 HydrophobicContact CD2-CG2 4.04Å; L376-R387 HydrophobicContact CD1-CB 4.44Å; L376-R387 HydrophobicContact CD2-CB 4.04Å; L376-R387 HydrophobicContact CD2-CG 4.44Å; L376-R387 HydrophobicContact CG-CB 3.97Å; L376-R387 HydrophobicContact CG-CG 4.23Å; L376-R387 WeakPolarHBondContact O-CD 3.23Å; L376-L390 HydrophobicContact CD2-CD2 3.81Å; L376-G416 WeakPolarHBondContact CD1-O 3.48Å; L376-A417 HydrophobicContact CB-CB 4.34Å
377E98.4Very high98.1Very high121 Ų12154.9 Ų54.957%0.56528%0.279SS*.THydrogen-bonded Turntrans-59.4-21.2175-68.7179.1-176.800113.4A373 K374 L375 A379 R387A373-E377 PolarHBondContact O-N 3.01Å; K374-E377 WeakPolarHBondContact O-CB 3.23Å; K374-E377 PolarHBondContact O-N 3.21Å; L375-E377 PolarHBondContact O-N 3.37Å; E377-A379 VanDerWaalsContact C-N 3.29Å; E377-A379 PolarHBondContact O-N 3.45Å; E377-R387 PolarHBondContact O-NH1 2.89Å; E377-R387 PolarHBondContact O-NH2 3.45Å
378G97.3Very high98.1Very high56 Ų5658.9 Ų58.958%0.57730%0.297SS*.THydrogen-bonded Turntrans-77.5-7.1173.400000114.7L375 L376 N420L375-G378 PolarHBondContact O-N 2.94Å; L376-G378 PolarHBondContact O-N 3.16Å; L376-G378 VanDerWaalsContact O-N 3.1Å; G378-N420 VanDerWaalsContact C-ND2 3.27Å; G378-N420 VanDerWaalsContact CA-ND2 3.25Å; G378-N420 WeakPolarHBondContact CA-ND2 3.13Å
379A97.7Very high98.1Very high1 Ų160.3 Ų60.31%0.00830%0.301CS..SBendtrans-86.3144.1175.100000111.4L376 E377 I381 C384 R387 N420L376-A379 HydrophobicContact CD1-CB 3.99Å; L376-A379 WeakPolarHBondContact O-CB 3.47Å; L376-A379 PolarHBondContact O-N 2.58Å; E377-A379 VanDerWaalsContact C-N 3.29Å; E377-A379 PolarHBondContact O-N 3.45Å; A379-I381 PolarHBondContact O-N 2.89Å; A379-C384 HydrophobicContact CB-CB 3.98Å; A379-R387 WeakPolarHBondContact O-CD 3.47Å; A379-R387 PolarHBondContact O-NH1 3.39Å; A379-N420 HydrophobicContact CB-CB 3.96Å; A379-N420 WeakPolarHBondContact CB-O 3.31Å
380S98Very high98.1Very high52 Ų5261.2 Ų61.236%0.36431%0.305SS..  trans-66.5125.8178.7168.70000111.8E382 K383 C384S380-E382 PolarHBondContact O-N 3.35Å; S380-E382 PolarHBondContact OG-N 3.15Å; S380-K383 PolarHBondContact O-N 2.99Å; S380-K383 PolarHBondContact OG-N 3.18Å; S380-C384 WeakPolarHBondContact O-CB 3.31Å; S380-C384 PolarHBondContact O-N 2.89Å
381I97.5Very high98.1Very high95 Ų9559.8 Ų59.849%0.48730%0.296SS..THydrogen-bonded Turntrans-65.9-24.1177.6-161.5169000113.1A379 K388A379-I381 PolarHBondContact O-N 2.89Å; I381-K388 WeakPolarHBondContact O-CB 3.41Å
382E96.2Very high98.1Very high168 Ų16862 Ų6279%0.78532%0.317SS*.THydrogen-bonded Turntrans-80.6-28.1179.6-62.917917100112.8S380S380-E382 PolarHBondContact O-N 3.35Å; S380-E382 PolarHBondContact OG-N 3.15Å
383K94.4Very high98.1Very high152 Ų15268.1 Ų68.166%0.66135%0.346SS*.THydrogen-bonded Turntrans-109.2-29.5-174.3-62.3-177-179.6179.70113.7S380 I423S380-K383 PolarHBondContact O-N 2.99Å; S380-K383 PolarHBondContact OG-N 3.18Å; K383-I423 WeakPolarHBondContact O-CG2 3.44Å
384C98Very high98.1Very high3 Ų368.1 Ų68.12%0.0234%0.343CS..  trans-94.2100.6-176.3-1760000109.8A379 S380 T386 R387 K388 S422A379-C384 HydrophobicContact CB-CB 3.98Å; S380-C384 WeakPolarHBondContact O-CB 3.31Å; S380-C384 PolarHBondContact O-N 2.89Å; C384-T386 PolarHBondContact O-N 2.81Å; C384-R387 HydrophobicContact CB-CB 4.13Å; C384-R387 PolarHBondContact O-N 2.83Å; C384-R387 VanDerWaalsContact O-N 3.08Å; C384-K388 WeakPolarHBondContact O-CB 3.22Å; C384-K388 PolarHBondContact O-N 2.8Å; C384-S422 PolarHBondContact SG-O 3.38Å
385Y98.2Very high98.1Very high58 Ų5862.6 Ų62.623%0.22732%0.32CS..Hα-helixtrans-57.8-37.3175.9-59.8-88.8000111.7R387 K388 Y389 I423 D446 Y447Y385-R387 VanDerWaalsContact C-N 3.27Å; Y385-R387 PolarHBondContact O-N 2.88Å; Y385-K388 PolarHBondContact O-N 3.27Å; Y385-Y389 HydrophobicContact CD1-CE2 4.25Å; Y385-Y389 PolarHBondContact O-N 3.17Å; Y385-I423 WeakPolarHBondContact CA-O 3.4Å; Y385-I423 WeakPolarHBondContact CB-O 3.2Å; Y385-I423 HydrophobicContact CD2-CB 4.29Å; Y385-I423 HydrophobicContact CD2-CD1 4.43Å; Y385-I423 HydrophobicContact CE2-CD1 4.25Å; Y385-I423 PolarHBondContact N-O 3.36Å; Y385-D446 HydrophobicContact CD1-CB 4.33Å; Y385-D446 WeakPolarHBondContact CD1-OD2 3.18Å; Y385-D446 HydrophobicContact CE1-CB 4.15Å; Y385-D446 VanDerWaalsContact CE1-OD2 3.26Å; Y385-D446 WeakPolarHBondContact CE1-OD2 3.31Å; Y385-Y447 AromaticContact CD2-CD2 3.86Å; Y385-Y447 HydrophobicContact CD2-CD2 3.86Å; Y385-Y447 AromaticContact CE2-CD2 3.59Å; Y385-Y447 HydrophobicContact CE2-CD2 3.59Å; Y385-Y447 HydrophobicContact CE2-CE2 4.18Å; Y385-Y447 HydrophobicContact CG-CD2 4.47Å; Y385-Y447 AromaticContact CZ-CD2 3.97Å
386T98.8Very high98.1Very high0 Ų068.6 Ų68.60%034%0.344CS..Hα-helixtrans-52.8-44.8174.7-47.30000112L376 C384 L390 I413 I423 C424 P425 Y439L376-T386 HydrophobicContact CD1-CG2 4.43Å; L376-T386 HydrophobicContact CD2-CG2 4.04Å; C384-T386 PolarHBondContact O-N 2.81Å; T386-L390 WeakPolarHBondContact O-CB 3.33Å; T386-I413 HydrophobicContact CG2-CB 3.84Å; T386-I413 HydrophobicContact CG2-CG2 3.79Å; T386-I423 PolarHBondContact N-O 3.33Å; T386-I423 VanDerWaalsContact N-O 3.16Å; T386-I423 PolarHBondContact OG1-O 3.03Å; T386-C424 WeakPolarHBondContact OG1-CA 3.5Å; T386-C424 PolarHBondContact OG1-N 3.1Å; T386-P425 HydrophobicContact CG2-CB 4.3Å; T386-P425 WeakPolarHBondContact OG1-CD 3.43Å; T386-P425 VanDerWaalsContact OG1-N 3.14Å; T386-Y439 WeakPolarHBondContact CA-OH 3.41Å; T386-Y439 WeakPolarHBondContact CG2-OH 3.44Å; T386-Y439 PolarHBondContact O-OH 2.98Å
387R98.7Very high98.1Very high74 Ų7473.9 Ų73.928%0.27937%0.367SS..Hα-helixtrans-77.9-45.1178.5-173.3-175.3177.1-179.87.6111.7L376 E377 A379 C384 Y385 Y389 L390L376-R387 HydrophobicContact CD1-CB 4.44Å; L376-R387 HydrophobicContact CD2-CB 4.04Å; L376-R387 HydrophobicContact CD2-CG 4.44Å; L376-R387 HydrophobicContact CG-CB 3.97Å; L376-R387 HydrophobicContact CG-CG 4.23Å; L376-R387 WeakPolarHBondContact O-CD 3.23Å; E377-R387 PolarHBondContact O-NH1 2.89Å; E377-R387 PolarHBondContact O-NH2 3.45Å; A379-R387 WeakPolarHBondContact O-CD 3.47Å; A379-R387 PolarHBondContact O-NH1 3.39Å; C384-R387 HydrophobicContact CB-CB 4.13Å; C384-R387 PolarHBondContact O-N 2.83Å; C384-R387 VanDerWaalsContact O-N 3.08Å; Y385-R387 VanDerWaalsContact C-N 3.27Å; Y385-R387 PolarHBondContact O-N 2.88Å; R387-Y389 PolarHBondContact O-N 3.16Å; R387-L390 PolarHBondContact O-N 3.33Å; R387-L390 VanDerWaalsContact O-N 3.09Å
388K98.8Very high98.1Very high83 Ų8368.3 Ų68.336%0.36134%0.34SS..Hα-helixtrans-52.5-40.9-173.6-175.1178.1173.4-173.40112.8I381 C384 Y385 D446I381-K388 WeakPolarHBondContact O-CB 3.41Å; C384-K388 WeakPolarHBondContact O-CB 3.22Å; C384-K388 PolarHBondContact O-N 2.8Å; Y385-K388 PolarHBondContact O-N 3.27Å; K388-D446 IonicContact NZ-OD1 3.79Å; K388-D446 IonicContact NZ-OD2 3.81Å; K388-D446 PolarHBondContact NZ-OD2 3.33Å
389Y98.7Very high98.2Very high46 Ų4668.5 Ų68.518%0.1833%0.328CS..THydrogen-bonded Turntrans-96.3-4.2-176.8-69.2-75.1000114.2Y385 R387 T391 Y439 P442 L443 D446Y385-Y389 HydrophobicContact CD1-CE2 4.25Å; Y385-Y389 PolarHBondContact O-N 3.17Å; R387-Y389 PolarHBondContact O-N 3.16Å; Y389-T391 VanDerWaalsContact C-N 3.26Å; Y389-T391 PolarHBondContact O-N 2.81Å; Y389-Y439 WeakPolarHBondContact O-CD2 3.33Å; Y389-P442 HydrophobicContact CD1-CB 3.8Å; Y389-P442 HydrophobicContact CD1-CG 3.83Å; Y389-P442 HydrophobicContact CE1-CB 3.63Å; Y389-P442 HydrophobicContact CE1-CG 4.19Å; Y389-L443 HydrophobicContact CD2-CB 3.67Å; Y389-L443 HydrophobicContact CD2-CD1 4.35Å; Y389-L443 HydrophobicContact CD2-CG 4.13Å; Y389-L443 HydrophobicContact CE2-CB 4.26Å; Y389-L443 HydrophobicContact CG-CB 4.02Å; Y389-D446 HydrophobicContact CE2-CB 3.93Å; Y389-D446 WeakPolarHBondContact CE2-OD2 3.4Å; Y389-D446 WeakPolarHBondContact OH-CB 3.39Å; Y389-D446 PolarHBondContact OH-OD2 3.26Å
390L98.8Very high98.1Very high18 Ų1871 Ų719%0.09435%0.354CS..  trans-85.566.5177.1-167.672.6000110.7L369 A373 L376 T386 R387 I394 I395 L409 I413 Y439L369-L390 HydrophobicContact CD1-CD1 4.44Å; A373-L390 HydrophobicContact CB-CD2 4.03Å; L376-L390 HydrophobicContact CD2-CD2 3.81Å; T386-L390 WeakPolarHBondContact O-CB 3.33Å; R387-L390 PolarHBondContact O-N 3.33Å; R387-L390 VanDerWaalsContact O-N 3.09Å; L390-I394 HydrophobicContact CD1-CG2 4.03Å; L390-I395 HydrophobicContact CD1-CG1 4.14Å; L390-I395 HydrophobicContact CD2-CD1 4.48Å; L390-I395 HydrophobicContact CG-CD1 4.22Å; L390-I395 HydrophobicContact CG-CG1 4Å; L390-L409 HydrophobicContact CD1-CD1 4.37Å; L390-L409 HydrophobicContact CD1-CD2 3.78Å; L390-L409 HydrophobicContact CD1-CG 4.15Å; L390-I413 HydrophobicContact CD1-CG2 4.36Å; L390-I413 HydrophobicContact CD2-CD1 3.57Å; L390-I413 HydrophobicContact CD2-CG2 4.45Å; L390-Y439 HydrophobicContact CB-CE2 4.12Å; L390-Y439 HydrophobicContact CD1-CD2 4.44Å; L390-Y439 HydrophobicContact CD1-CE2 4.24Å
391T98.6Very high98.1Very high48 Ų4872.6 Ų72.629%0.29435%0.354SS..  trans-74.4162.8-178.582.30000112.1Y389 E393 I394 I395Y389-T391 VanDerWaalsContact C-N 3.26Å; Y389-T391 PolarHBondContact O-N 2.81Å; T391-E393 VanDerWaalsContact CB-OE2 3.23Å; T391-E393 WeakPolarHBondContact CB-OE2 3.36Å; T391-E393 PolarHBondContact O-N 3.31Å; T391-E393 PolarHBondContact OG1-N 3.02Å; T391-E393 PolarHBondContact OG1-OE2 3.32Å; T391-I394 WeakPolarHBondContact O-CB 3.27Å; T391-I394 PolarHBondContact O-N 3.49Å; T391-I394 VanDerWaalsContact O-N 3.08Å; T391-I394 PolarHBondContact OG1-N 3.03Å; T391-I395 PolarHBondContact O-N 3.41Å
392P98.6Very high98.1Very high97 Ų9771.3 Ų71.363%0.6334%0.343SS*.Hα-helixtrans-54.2-36.3172.9-27.837.2000113.7I395 K396P392-I395 PolarHBondContact O-N 3.47Å; P392-K396 WeakPolarHBondContact O-CB 3.38Å; P392-K396 PolarHBondContact O-N 3.48Å
393E98.7Very high98.3Very high130 Ų13063.7 Ų63.761%0.60731%0.308SS*.Hα-helixtrans-66.1-40.8176.8-58.968.7-14800111.3T391 K396 K397T391-E393 VanDerWaalsContact CB-OE2 3.23Å; T391-E393 WeakPolarHBondContact CB-OE2 3.36Å; T391-E393 PolarHBondContact O-N 3.31Å; T391-E393 PolarHBondContact OG1-N 3.02Å; T391-E393 PolarHBondContact OG1-OE2 3.32Å; E393-K396 PolarHBondContact O-N 3.35Å; E393-K397 VanDerWaalsContact O-CB 3.28Å; E393-K397 WeakPolarHBondContact O-CB 3.38Å; E393-K397 PolarHBondContact O-N 2.99Å
394I98.8Very high98.5Very high16 Ų1661.7 Ų61.78%0.08231%0.309CS..Hα-helixtrans-64.7-45.1175.9-70.2-63.5000111L390 T391 K397 Y398 L409 D438 Y439L390-I394 HydrophobicContact CD1-CG2 4.03Å; T391-I394 WeakPolarHBondContact O-CB 3.27Å; T391-I394 PolarHBondContact O-N 3.49Å; T391-I394 VanDerWaalsContact O-N 3.08Å; T391-I394 PolarHBondContact OG1-N 3.03Å; I394-K397 PolarHBondContact O-N 3.48Å; I394-Y398 HydrophobicContact CD1-CE2 4.13Å; I394-Y398 HydrophobicContact CG2-CD2 4.07Å; I394-Y398 PolarHBondContact O-N 3.4Å; I394-L409 HydrophobicContact CG2-CD2 3.73Å; I394-D438 HydrophobicContact CD1-CB 3.66Å; I394-Y439 HydrophobicContact CG2-CD2 4.03Å; I394-Y439 HydrophobicContact CG2-CG 4.26Å
395I98.8Very high98.5Very high33 Ų3366.3 Ų66.317%0.16933%0.33CS..Hα-helixtrans-59.6-52.5175.5-65.8170.5000109.4L369 T370 A373 L390 T391 P392 K397 Y398 D399L369-I395 HydrophobicContact CD2-CB 4.3Å; L369-I395 HydrophobicContact CD2-CG1 4.31Å; L369-I395 HydrophobicContact CD2-CG2 4.01Å; L369-I395 HydrophobicContact CG-CG2 4.32Å; T370-I395 HydrophobicContact CG2-CG2 4.05Å; A373-I395 HydrophobicContact CB-CD1 3.87Å; L390-I395 HydrophobicContact CD1-CG1 4.14Å; L390-I395 HydrophobicContact CD2-CD1 4.48Å; L390-I395 HydrophobicContact CG-CD1 4.22Å; L390-I395 HydrophobicContact CG-CG1 4Å; T391-I395 PolarHBondContact O-N 3.41Å; P392-I395 PolarHBondContact O-N 3.47Å; I395-K397 PolarHBondContact O-N 2.94Å; I395-Y398 PolarHBondContact O-N 3.15Å; I395-D399 VanDerWaalsContact O-CB 3.26Å; I395-D399 WeakPolarHBondContact O-CB 3.34Å; I395-D399 PolarHBondContact O-N 2.94Å
396K98.6Very high98.5Very high187 Ų18763.7 Ų63.781%0.81332%0.321SS*.Hα-helixtrans-57.5-36.6179.4-177.7177.1178.1179.40113P392 E393P392-K396 WeakPolarHBondContact O-CB 3.38Å; P392-K396 PolarHBondContact O-N 3.48Å; E393-K396 PolarHBondContact O-N 3.35Å
397K98.7Very high98.5Very high113 Ų11363.7 Ų63.749%0.49132%0.321SS..Hα-helixtrans-74.8-35.3-178.8-176.4175-179.9172.80113.1E393 I394 I395 D438E393-K397 VanDerWaalsContact O-CB 3.28Å; E393-K397 WeakPolarHBondContact O-CB 3.38Å; E393-K397 PolarHBondContact O-N 2.99Å; I394-K397 PolarHBondContact O-N 3.48Å; I395-K397 PolarHBondContact O-N 2.94Å; K397-D438 IonicContact NZ-OD1 2.82Å; K397-D438 PolarHBondContact NZ-OD1 3.44Å; K397-D438 IonicContact NZ-OD2 2.67Å; K397-D438 PolarHBondContact NZ-OD2 2.8Å
398Y98.9Very high98.5Very high4 Ų460.3 Ų60.32%0.01631%0.308CS..Hα-helixtrans-118.2-5.1-167-64.8-46.1000115.5I394 I395 G400 K401 L409 T435 F436 D438I394-Y398 HydrophobicContact CD1-CE2 4.13Å; I394-Y398 HydrophobicContact CG2-CD2 4.07Å; I394-Y398 PolarHBondContact O-N 3.4Å; I395-Y398 PolarHBondContact O-N 3.15Å; Y398-G400 PolarHBondContact O-N 3.24Å; Y398-K401 HydrophobicContact CD1-CD 3.78Å; Y398-K401 HydrophobicContact CE1-CD 4.24Å; Y398-K401 WeakPolarHBondContact O-CB 3.21Å; Y398-K401 PolarHBondContact O-N 2.95Å; Y398-K401 VanDerWaalsContact O-N 3.11Å; Y398-L409 HydrophobicContact CD2-CD2 4.08Å; Y398-L409 HydrophobicContact CG-CD2 4.4Å; Y398-T435 WeakPolarHBondContact CE1-O 3.38Å; Y398-F436 AromaticContact CD1-CD1 3.82Å; Y398-F436 HydrophobicContact CD1-CD1 3.82Å; Y398-F436 HydrophobicContact CD1-CE1 4.33Å; Y398-F436 HydrophobicContact CD2-CD1 4.19Å; Y398-F436 HydrophobicContact CE1-CD1 4.26Å; Y398-F436 HydrophobicContact CE2-CB 4.47Å; Y398-F436 AromaticContact CG-CD1 3.77Å; Y398-F436 HydrophobicContact CG-CD1 3.77Å; Y398-F436 HydrophobicContact CG-CE1 4.38Å; Y398-D438 HydrophobicContact CE2-CB 3.98Å; Y398-D438 WeakPolarHBondContact OH-CB 3.41Å; Y398-D438 PolarHBondContact OH-N 3.29Å; Y398-D438 PolarHBondContact OH-OD1 3.06Å
399D98.6Very high98.5Very high61 Ų6156.4 Ų56.433%0.32629%0.291SS..THydrogen-bonded Turntrans-58.9134.4171.2-159.91.1000110.7Y355 L369 I395 K401Y355-D399 VanDerWaalsContact CE2-OD1 3.29Å; Y355-D399 WeakPolarHBondContact CE2-OD1 3.31Å; Y355-D399 PolarHBondContact OH-OD1 2.85Å; L369-D399 HydrophobicContact CB-CB 4.46Å; L369-D399 WeakPolarHBondContact CB-OD1 3.46Å; L369-D399 HydrophobicContact CD2-CB 3.96Å; I395-D399 VanDerWaalsContact O-CB 3.26Å; I395-D399 WeakPolarHBondContact O-CB 3.34Å; I395-D399 PolarHBondContact O-N 2.94Å; D399-K401 PolarHBondContact O-N 2.96Å; D399-K401 VanDerWaalsContact O-N 3.13Å
400G95Very high98.5Very high52 Ų5254.2 Ų54.254%0.53628%0.283SS..THydrogen-bonded Turntrans71.2-9.6-173.800000116.4Y355 Y398Y355-G400 PolarHBondContact OH-N 2.91Å; Y398-G400 PolarHBondContact O-N 3.24Å
401K98.5Very high98.5Very high87 Ų8753.7 Ų53.738%0.37828%0.28SS..  trans-75.3133.7178.9-168.4-179.2-174.4-167.10111.3Y398 D399 T435 F436Y398-K401 HydrophobicContact CD1-CD 3.78Å; Y398-K401 HydrophobicContact CE1-CD 4.24Å; Y398-K401 WeakPolarHBondContact O-CB 3.21Å; Y398-K401 PolarHBondContact O-N 2.95Å; Y398-K401 VanDerWaalsContact O-N 3.11Å; D399-K401 PolarHBondContact O-N 2.96Å; D399-K401 VanDerWaalsContact O-N 3.13Å; K401-T435 HydrophobicContact CD-CG2 4.16Å; K401-T435 PolarHBondContact NZ-O 3.08Å; K401-F436 HydrophobicContact CB-CE1 4.18Å; K401-F436 HydrophobicContact CD-CE1 4.32Å; K401-F436 HydrophobicContact CG-CE1 4.33Å
402R98.8Very high98.5Very high67 Ų6751.4 Ų51.425%0.25327%0.266SS..BIsolated β-bridgetrans-114.9148173.3-72.9176.2-177.5-91.7-0.3110.8Y355 N356 G406 A407 T408Y355-R402 PolarHBondContact O-NH2 3.03Å; N356-R402 PolarHBondContact OD1-NH2 2.93Å; R402-G406 PolarHBondContact NH1-O 2.94Å; R402-A407 CarbonylContact C-O 3.25Å; R402-A407 VanDerWaalsContact CA-O 3.25Å; R402-A407 WeakPolarHBondContact CA-O 3.3Å; R402-T408 HydrophobicContact CG-CG2 3.59Å
403T98.7Very high98.5Very high8 Ų846.8 Ų46.85%0.04924%0.236CC..  trans-67.3174.1160.252.40000110.5H405 G406 A407 E429 E431 T435 F436T403-H405 PolarHBondContact O-N 3.24Å; T403-H405 VanDerWaalsContact O-N 3.17Å; T403-G406 PolarHBondContact O-N 3.09Å; T403-G406 VanDerWaalsContact O-N 3.14Å; T403-G406 PolarHBondContact OG1-N 3.06Å; T403-A407 HydrophobicContact CG2-CB 4.06Å; T403-A407 PolarHBondContact N-O 3.42Å; T403-A407 WeakPolarHBondContact OG1-CA 3.25Å; T403-A407 VanDerWaalsContact OG1-CB 3.29Å; T403-A407 WeakPolarHBondContact OG1-CB 3.49Å; T403-A407 PolarHBondContact OG1-N 3.38Å; T403-A407 PolarHBondContact OG1-O 2.92Å; T403-E429 WeakPolarHBondContact CB-OE1 3.44Å; T403-E429 HydrophobicContact CG2-CG 4.37Å; T403-E429 PolarHBondContact OG1-OE1 3.09Å; T403-E431 VanDerWaalsContact CA-OE1 3.23Å; T403-E431 WeakPolarHBondContact CA-OE1 3.43Å; T403-E431 VanDerWaalsContact CB-OE1 3.22Å; T403-E431 WeakPolarHBondContact CB-OE1 3.5Å; T403-E431 HydrophobicContact CG2-CB 4.2Å; T403-E431 HydrophobicContact CG2-CG 4.44Å; T403-T435 HydrophobicContact CG2-CG2 3.92Å; T403-F436 HydrophobicContact CG2-CE2 3.82Å; T403-F436 HydrophobicContact CG2-CZ 4.47Å
404T98.4Very high98.5Very high111 Ų11140.6 Ų40.668%0.68121%0.207SC*.THydrogen-bonded Turntrans-54.4-36.3178.2-51.10000112.6E431T404-E431 WeakPolarHBondContact CB-OE2 3.03Å; T404-E431 PolarHBondContact N-OE1 2.91Å; T404-E431 VanDerWaalsContact N-OE1 3.07Å; T404-E431 PolarHBondContact N-OE2 3.08Å; T404-E431 PolarHBondContact OG1-OE2 3.3Å
405H98.3Very high98.5Very high99 Ų9939.9 Ų39.946%0.45820%0.203SC..THydrogen-bonded Turntrans-105.113.2-177.3-46.3105.1000114T403 E429 L495T403-H405 PolarHBondContact O-N 3.24Å; T403-H405 VanDerWaalsContact O-N 3.17Å; H405-E429 IonicContact CE1-OE2 3.88Å; H405-E429 IonicContact CG-OE2 3.6Å; H405-E429 IonicContact ND1-OE2 2.79Å; H405-E429 PolarHBondContact ND1-OE2 3.18Å; H405-L495 HydrophobicContact CB-CD2 3.68Å; H405-L495 HydrophobicContact CB-CG 4.36Å
406G98.1Very high98.5Very high4 Ų438.3 Ų38.34%0.04120%0.195CC..SBendtrans100.22.5163.800000117.1R402 T403R402-G406 PolarHBondContact NH1-O 2.94Å; T403-G406 PolarHBondContact O-N 3.09Å; T403-G406 VanDerWaalsContact O-N 3.14Å; T403-G406 PolarHBondContact OG1-N 3.06Å
407A98.8Very high98.5Very high0 Ų029.6 Ų29.60%016%0.158CC..  trans-66.2149.7172.400000111.8R402 T403 E429 I499R402-A407 CarbonylContact C-O 3.25Å; R402-A407 VanDerWaalsContact CA-O 3.25Å; R402-A407 WeakPolarHBondContact CA-O 3.3Å; T403-A407 HydrophobicContact CG2-CB 4.06Å; T403-A407 PolarHBondContact N-O 3.42Å; T403-A407 WeakPolarHBondContact OG1-CA 3.25Å; T403-A407 VanDerWaalsContact OG1-CB 3.29Å; T403-A407 WeakPolarHBondContact OG1-CB 3.49Å; T403-A407 PolarHBondContact OG1-N 3.38Å; T403-A407 PolarHBondContact OG1-O 2.92Å; A407-E429 HydrophobicContact CB-CG 4.17Å; A407-I499 HydrophobicContact CB-CD1 3.53Å
408T98.9Very high98.5Very high2 Ų225.1 Ų25.11%0.01214%0.138CC..BIsolated β-bridgetrans-133.6165.6-178.669.30000110.8R402 A410 H411R402-T408 HydrophobicContact CG-CG2 3.59Å; T408-A410 PolarHBondContact O-N 2.97Å; T408-A410 WeakPolarHBondContact OG1-CB 3.39Å; T408-A410 PolarHBondContact OG1-N 2.81Å; T408-H411 PolarHBondContact N-ND1 2.93Å; T408-H411 PolarHBondContact O-N 3.4Å; T408-H411 PolarHBondContact OG1-N 3.29Å; T408-H411 VanDerWaalsContact OG1-N 3.11Å; T408-H411 PolarHBondContact OG1-ND1 2.82Å
409L98.9Very high98.5Very high1 Ų126.4 Ų26.41%0.00515%0.145CC..Hα-helixtrans-62-34.1168-176.756.4000112L369 L390 I394 Y398 H411 M412 I413 F436 Y439L369-L409 HydrophobicContact CD1-CB 4.32Å; L369-L409 HydrophobicContact CD1-CD2 4.3Å; L369-L409 HydrophobicContact CD1-CG 3.94Å; L369-L409 HydrophobicContact CD2-CB 4.37Å; L369-L409 HydrophobicContact CD2-CD2 3.88Å; L369-L409 HydrophobicContact CD2-CG 4.26Å; L390-L409 HydrophobicContact CD1-CD1 4.37Å; L390-L409 HydrophobicContact CD1-CD2 3.78Å; L390-L409 HydrophobicContact CD1-CG 4.15Å; I394-L409 HydrophobicContact CG2-CD2 3.73Å; Y398-L409 HydrophobicContact CD2-CD2 4.08Å; Y398-L409 HydrophobicContact CG-CD2 4.4Å; L409-H411 PolarHBondContact O-N 2.64Å; L409-M412 HydrophobicContact CD1-CE 4.36Å; L409-M412 HydrophobicContact CD1-CG 3.87Å; L409-M412 HydrophobicContact CD1-SD 3.74Å; L409-M412 VanDerWaalsContact O-CG 3.32Å; L409-M412 WeakPolarHBondContact O-CG 3.48Å; L409-M412 PolarHBondContact O-N 2.81Å; L409-I413 HydrophobicContact CD1-CG2 4.24Å; L409-I413 PolarHBondContact O-N 3.25Å; L409-F436 HydrophobicContact CB-CD1 4.17Å; L409-F436 HydrophobicContact CB-CE1 4.19Å; L409-Y439 HydrophobicContact CD1-CD1 3.38Å; L409-Y439 HydrophobicContact CD1-CD2 4.45Å; L409-Y439 HydrophobicContact CD1-CE1 3.62Å; L409-Y439 HydrophobicContact CD1-CG 3.84Å
410A98.9Very high98.4Very high0 Ų026.2 Ų26.20%014%0.144CC..Hα-helixtrans-60.7-43.4176.600000111.8Y355 V366 E367 L369 L372 T408 M412 I413 R414Y355-A410 HydrophobicContact CE1-CB 4.06Å; V366-A410 HydrophobicContact CG1-CB 4.04Å; V366-A410 HydrophobicContact CG2-CB 3.86Å; E367-A410 WeakPolarHBondContact O-CB 3.41Å; L369-A410 HydrophobicContact CB-CB 4.17Å; L369-A410 HydrophobicContact CD1-CB 4.27Å; L372-A410 HydrophobicContact CD1-CB 4.12Å; L372-A410 VanDerWaalsContact CD1-O 3.26Å; L372-A410 WeakPolarHBondContact CD1-O 3.31Å; T408-A410 PolarHBondContact O-N 2.97Å; T408-A410 WeakPolarHBondContact OG1-CB 3.39Å; T408-A410 PolarHBondContact OG1-N 2.81Å; A410-M412 VanDerWaalsContact C-N 3.3Å; A410-M412 PolarHBondContact O-N 3.34Å; A410-I413 WeakPolarHBondContact O-CG1 3.47Å; A410-I413 PolarHBondContact O-N 3.22Å; A410-R414 PolarHBondContact O-N 2.83Å
411H98.9Very high98.5Very high7 Ų735.2 Ų35.23%0.03216%0.162CC..Hα-helixtrans-54.6-47.2176.9-70.9110.7000111.7M364 V366 T408 L409 I413 R414 I499M364-H411 PolarHBondContact O-NE2 3.25Å; V366-H411 WeakPolarHBondContact CG1-NE2 3.33Å; T408-H411 PolarHBondContact N-ND1 2.93Å; T408-H411 PolarHBondContact O-N 3.4Å; T408-H411 PolarHBondContact OG1-N 3.29Å; T408-H411 VanDerWaalsContact OG1-N 3.11Å; T408-H411 PolarHBondContact OG1-ND1 2.82Å; L409-H411 PolarHBondContact O-N 2.64Å; H411-I413 PolarHBondContact O-N 2.87Å; H411-R414 WeakPolarHBondContact O-CB 3.29Å; H411-R414 PolarHBondContact O-N 3.44Å; H411-I499 HydrophobicContact CB-CG2 4.14Å
412M98.9Very high98.3Very high0 Ų031.8 Ų31.80%015%0.149CC..Hα-helixtrans-78.1-19.4-169.573.2178.27400114.9L409 A410 N415 P425 R426 T427 C432 F436 Y439 L440L409-M412 HydrophobicContact CD1-CE 4.36Å; L409-M412 HydrophobicContact CD1-CG 3.87Å; L409-M412 HydrophobicContact CD1-SD 3.74Å; L409-M412 VanDerWaalsContact O-CG 3.32Å; L409-M412 WeakPolarHBondContact O-CG 3.48Å; L409-M412 PolarHBondContact O-N 2.81Å; A410-M412 VanDerWaalsContact C-N 3.3Å; A410-M412 PolarHBondContact O-N 3.34Å; M412-N415 PolarHBondContact O-OD1 3.47Å; M412-P425 HydrophobicContact CB-CB 4.17Å; M412-P425 HydrophobicContact CG-CB 4.22Å; M412-P425 CarbonylContact O-C 3.56Å; M412-P425 WeakPolarHBondContact O-CA 3.27Å; M412-P425 WeakPolarHBondContact O-CB 3.37Å; M412-R426 WeakPolarHBondContact CA-O 3.26Å; M412-R426 VanDerWaalsContact CB-O 3.23Å; M412-R426 WeakPolarHBondContact CB-O 3.42Å; M412-R426 PolarHBondContact O-N 2.98Å; M412-T427 HydrophobicContact CE-CG2 4.44Å; M412-T427 HydrophobicContact SD-CG2 4.36Å; M412-C432 HydrophobicContact CE-CB 4Å; M412-F436 HydrophobicContact CE-CB 4.29Å; M412-F436 HydrophobicContact CE-CD2 3.41Å; M412-F436 VanDerWaalsContact CE-CD2 3.41Å; M412-F436 HydrophobicContact CE-CE2 3.97Å; M412-F436 HydrophobicContact CE-CG 4.02Å; M412-Y439 HydrophobicContact CG-CE1 4.28Å; M412-Y439 HydrophobicContact SD-CD1 3.84Å; M412-Y439 HydrophobicContact SD-CE1 3.64Å; M412-L440 HydrophobicContact CE-CD1 4.38Å; M412-L440 HydrophobicContact SD-CD1 4.27Å; M412-L440 HydrophobicContact SD-CD2 3.95Å; M412-L440 HydrophobicContact SD-CG 4.25Å
413I98.9Very high98.2Very high0 Ų031.5 Ų31.50%015%0.152CC..Hα-helixtrans-91.5-12.6175.870.1166.2000112.8L369 L372 T386 L390 L409 A410 H411 N415 G416 A417L369-I413 HydrophobicContact CD1-CD1 3.56Å; L369-I413 HydrophobicContact CD1-CG1 4.32Å; L372-I413 HydrophobicContact CB-CD1 3.85Å; L372-I413 HydrophobicContact CB-CG1 4.17Å; L372-I413 HydrophobicContact CD1-CG1 4.38Å; T386-I413 HydrophobicContact CG2-CB 3.84Å; T386-I413 HydrophobicContact CG2-CG2 3.79Å; L390-I413 HydrophobicContact CD1-CG2 4.36Å; L390-I413 HydrophobicContact CD2-CD1 3.57Å; L390-I413 HydrophobicContact CD2-CG2 4.45Å; L409-I413 HydrophobicContact CD1-CG2 4.24Å; L409-I413 PolarHBondContact O-N 3.25Å; A410-I413 WeakPolarHBondContact O-CG1 3.47Å; A410-I413 PolarHBondContact O-N 3.22Å; H411-I413 PolarHBondContact O-N 2.87Å; I413-N415 VanDerWaalsContact C-N 3.27Å; I413-N415 PolarHBondContact O-N 2.97Å; I413-G416 WeakPolarHBondContact O-CA 3.4Å; I413-G416 PolarHBondContact O-N 2.65Å; I413-A417 PolarHBondContact O-N 3.12Å
414R98.9Very high98.2Very high1 Ų131.4 Ų31.40%0.00415%0.152CC..Hα-helixtrans-55.7-39.5-171.3-167.3179.8-172.3-79.7-8.5113N292 M364 E367 L372 A410 H411 G416 A417 Y418 D557N292-R414 PolarHBondContact OD1-NH1 3Å; N292-R414 PolarHBondContact OD1-NH2 3.24Å; M364-R414 VanDerWaalsContact CE-CD 3.47Å; E367-R414 IonicContact OE1-CZ 2.92Å; E367-R414 IonicContact OE1-NE 2.74Å; E367-R414 PolarHBondContact OE1-NE 3.32Å; E367-R414 IonicContact OE1-NH2 3.84Å; E367-R414 PolarHBondContact OE1-NH2 3Å; E367-R414 WeakPolarHBondContact OE2-CD 3.43Å; E367-R414 IonicContact OE2-CZ 3.66Å; E367-R414 IonicContact OE2-NE 3.5Å; E367-R414 PolarHBondContact OE2-NE 2.84Å; E367-R414 IonicContact OE2-NH2 3.43Å; L372-R414 HydrophobicContact CD1-CB 4.04Å; L372-R414 HydrophobicContact CD1-CG 4.13Å; L372-R414 HydrophobicContact CD2-CG 4.2Å; A410-R414 PolarHBondContact O-N 2.83Å; H411-R414 WeakPolarHBondContact O-CB 3.29Å; H411-R414 PolarHBondContact O-N 3.44Å; R414-G416 VanDerWaalsContact C-N 3.33Å; R414-G416 PolarHBondContact O-N 3.21Å; R414-A417 PolarHBondContact O-N 3.17Å; R414-Y418 HydrophobicContact CG-CD2 3.88Å; R414-Y418 HydrophobicContact CG-CE2 3.93Å; R414-Y418 WeakPolarHBondContact O-CD2 3.34Å; R414-Y418 PolarHBondContact O-N 2.89Å; R414-Y418 VanDerWaalsContact O-N 3.16Å; R414-D557 WeakPolarHBondContact CD-O 3.24Å; R414-D557 WeakPolarHBondContact CG-O 3.33Å; R414-D557 PolarHBondContact NH1-O 3.05Å
415N98.8Very high98.2Very high0 Ų026.1 Ų26.10%012%0.119CC..Hα-helixtrans-60.6-43.1176.674.2-75.4000111.8M412 I413 N419 S422 C424 V554 A558M412-N415 PolarHBondContact O-OD1 3.47Å; I413-N415 VanDerWaalsContact C-N 3.27Å; I413-N415 PolarHBondContact O-N 2.97Å; N415-N419 WeakPolarHBondContact O-CA 3.39Å; N415-N419 VanDerWaalsContact O-CB 3.23Å; N415-N419 WeakPolarHBondContact O-CB 3.37Å; N415-N419 PolarHBondContact O-N 3.02Å; N415-N419 PolarHBondContact O-ND2 2.9Å; N415-N419 VanDerWaalsContact O-ND2 3.16Å; N415-S422 PolarHBondContact ND2-OG 2.88Å; N415-C424 PolarHBondContact ND2-O 3.2Å; N415-V554 HydrophobicContact CB-CG1 4Å; N415-V554 WeakPolarHBondContact CB-O 3.46Å; N415-A558 HydrophobicContact CB-CB 4Å
416G98.5Very high98.3Very high0 Ų023 Ų230%010%0.104CC..Hα-helixtrans-70.1-36.2178.500000112.4L376 I413 R414 N419 N420L376-G416 WeakPolarHBondContact CD1-O 3.48Å; I413-G416 WeakPolarHBondContact O-CA 3.4Å; I413-G416 PolarHBondContact O-N 2.65Å; R414-G416 VanDerWaalsContact C-N 3.33Å; R414-G416 PolarHBondContact O-N 3.21Å; G416-N419 CarbonylContact O-C 3.59Å; G416-N419 VanDerWaalsContact O-C 3.26Å; G416-N419 PolarHBondContact O-N 3.44Å; G416-N420 WeakPolarHBondContact O-CA 3.25Å; G416-N420 PolarHBondContact O-N 3.47Å; G416-N420 PolarHBondContact O-OD1 3.27Å
417A98.6Very high98.3Very high5 Ų522.9 Ų22.94%0.04110%0.102CC..Hα-helixtrans-65.7-36.4179.600000112.9L372 L375 L376 I413 R414 N420L372-A417 HydrophobicContact CB-CB 4.07Å; L372-A417 HydrophobicContact CD2-CB 4.03Å; L372-A417 WeakPolarHBondContact O-CB 3.48Å; L375-A417 HydrophobicContact CB-CB 4.09Å; L375-A417 WeakPolarHBondContact CB-O 3.17Å; L376-A417 HydrophobicContact CB-CB 4.34Å; I413-A417 PolarHBondContact O-N 3.12Å; R414-A417 PolarHBondContact O-N 3.17Å; A417-N420 PolarHBondContact O-OD1 2.91Å
418Y98.4Very high98.3Very high19 Ų1922.9 Ų22.98%0.07510%0.102CC..Hα-helixtrans-91.9-21.2176.5-73.5-72.1000113.6N292 I296 E367 L372 L375 R414 D557N292-Y418 VanDerWaalsContact ND2-CD1 3.33Å; N292-Y418 WeakPolarHBondContact ND2-CD1 3.17Å; N292-Y418 VanDerWaalsContact ND2-CG 3.27Å; I296-Y418 HydrophobicContact CD1-CE1 4.19Å; I296-Y418 WeakPolarHBondContact CD1-OH 3.48Å; I296-Y418 HydrophobicContact CG1-CE1 3.89Å; E367-Y418 VanDerWaalsContact OE1-CE2 3.3Å; E367-Y418 WeakPolarHBondContact OE1-CE2 3.44Å; E367-Y418 PolarHBondContact OE1-OH 3.34Å; L372-Y418 HydrophobicContact CD2-CD2 4.47Å; L372-Y418 HydrophobicContact CD2-CE2 3.78Å; L375-Y418 HydrophobicContact CD1-CD1 4.29Å; L375-Y418 HydrophobicContact CD1-CE1 3.74Å; L375-Y418 HydrophobicContact CD1-CE2 4.47Å; R414-Y418 HydrophobicContact CG-CD2 3.88Å; R414-Y418 HydrophobicContact CG-CE2 3.93Å; R414-Y418 WeakPolarHBondContact O-CD2 3.34Å; R414-Y418 PolarHBondContact O-N 2.89Å; R414-Y418 VanDerWaalsContact O-N 3.16Å; Y418-D557 WeakPolarHBondContact CB-OD2 3.36Å
419N98.1Very high98.3Very high30 Ų3023.3 Ų23.316%0.1610%0.104CC..  trans-128.378.7-179.2-55.2-86.4000110.4N415 G416 R421 S422 P553 V554 D557N415-N419 WeakPolarHBondContact O-CA 3.39Å; N415-N419 VanDerWaalsContact O-CB 3.23Å; N415-N419 WeakPolarHBondContact O-CB 3.37Å; N415-N419 PolarHBondContact O-N 3.02Å; N415-N419 PolarHBondContact O-ND2 2.9Å; N415-N419 VanDerWaalsContact O-ND2 3.16Å; G416-N419 CarbonylContact O-C 3.59Å; G416-N419 VanDerWaalsContact O-C 3.26Å; G416-N419 PolarHBondContact O-N 3.44Å; N419-R421 PolarHBondContact O-N 3.44Å; N419-S422 VanDerWaalsContact O-CB 3.23Å; N419-S422 WeakPolarHBondContact O-CB 3.36Å; N419-S422 PolarHBondContact O-N 3.49Å; N419-P553 PolarHBondContact ND2-O 2.94Å; N419-V554 HydrophobicContact CB-CG2 3.96Å; N419-D557 PolarHBondContact ND2-OD2 3.35Å
420N97.9Very high98.3Very high57 Ų5725 Ų2531%0.30512%0.118SC..THydrogen-bonded Turntrans-61.5-6.9-171.4-67.2-2.5000116.1G378 A379 G416 A417G378-N420 VanDerWaalsContact C-ND2 3.27Å; G378-N420 VanDerWaalsContact CA-ND2 3.25Å; G378-N420 WeakPolarHBondContact CA-ND2 3.13Å; A379-N420 HydrophobicContact CB-CB 3.96Å; A379-N420 WeakPolarHBondContact CB-O 3.31Å; G416-N420 WeakPolarHBondContact O-CA 3.25Å; G416-N420 PolarHBondContact O-N 3.47Å; G416-N420 PolarHBondContact O-OD1 3.27Å; A417-N420 PolarHBondContact O-OD1 2.91Å
421R95.8Very high98.3Very high241 Ų24127.2 Ų27.291%0.90913%0.128SC*.THydrogen-bonded Turntrans-90.1-16.2171.6-66.3-175.8179.1-178.40.2113.1N419N419-R421 PolarHBondContact O-N 3.44Å
422S95.3Very high98.3Very high16 Ų1626.9 Ų26.911%0.11213%0.127CC..  trans-69.1134.5172.2-166.90000109.8C384 N415 N419 V554C384-S422 PolarHBondContact SG-O 3.38Å; N415-S422 PolarHBondContact ND2-OG 2.88Å; N419-S422 VanDerWaalsContact O-CB 3.23Å; N419-S422 WeakPolarHBondContact O-CB 3.36Å; N419-S422 PolarHBondContact O-N 3.49Å; S422-V554 VanDerWaalsContact OG-CG1 3.31Å; S422-V554 WeakPolarHBondContact OG-CG1 3.47Å
423I96.8Very high98.2Very high61 Ų6127.2 Ų27.231%0.31313%0.128SC..  trans-104.9-16.5-169.762.5171.3000114.3K383 Y385 T386 Y447K383-I423 WeakPolarHBondContact O-CG2 3.44Å; Y385-I423 WeakPolarHBondContact CA-O 3.4Å; Y385-I423 WeakPolarHBondContact CB-O 3.2Å; Y385-I423 HydrophobicContact CD2-CB 4.29Å; Y385-I423 HydrophobicContact CD2-CD1 4.43Å; Y385-I423 HydrophobicContact CE2-CD1 4.25Å; Y385-I423 PolarHBondContact N-O 3.36Å; T386-I423 PolarHBondContact N-O 3.33Å; T386-I423 VanDerWaalsContact N-O 3.16Å; T386-I423 PolarHBondContact OG1-O 3.03Å; I423-Y447 HydrophobicContact CD1-CE2 4.44Å
424C98.2Very high98.2Very high6 Ų630.8 Ų30.84%0.04115%0.153CC..SBendtrans-126.9148.7-175.8-71.40000111.9T386 N415 R426T386-C424 WeakPolarHBondContact OG1-CA 3.5Å; T386-C424 PolarHBondContact OG1-N 3.1Å; N415-C424 PolarHBondContact ND2-O 3.2Å; C424-R426 PolarHBondContact O-NH1 3.29Å
425P98.8Very high98.2Very high0 Ų031.6 Ų31.60%016%0.158CC..  trans-72.9174.1175.231.3-35.7000112.1T386 M412 Y439 L440 L443 P632T386-P425 HydrophobicContact CG2-CB 4.3Å; T386-P425 WeakPolarHBondContact OG1-CD 3.43Å; T386-P425 VanDerWaalsContact OG1-N 3.14Å; M412-P425 HydrophobicContact CB-CB 4.17Å; M412-P425 HydrophobicContact CG-CB 4.22Å; M412-P425 CarbonylContact O-C 3.56Å; M412-P425 WeakPolarHBondContact O-CA 3.27Å; M412-P425 WeakPolarHBondContact O-CB 3.37Å; P425-Y439 HydrophobicContact CB-CE1 4.48Å; P425-Y439 HydrophobicContact CG-CE1 4.24Å; P425-L440 HydrophobicContact CG-CD2 4.3Å; P425-L443 HydrophobicContact CG-CD1 4.03Å; P425-P632 HydrophobicContact CG-CG 3.9Å; P425-P632 WeakPolarHBondContact O-CD 3.49Å
426R98.9Very high98.2Very high34 Ų3431.6 Ų31.613%0.12816%0.158CC..  trans-131.4106.7173.4-67.2-61-179.2-66.4-5111M412 C424 T498 A558 E585 C631M412-R426 WeakPolarHBondContact CA-O 3.26Å; M412-R426 VanDerWaalsContact CB-O 3.23Å; M412-R426 WeakPolarHBondContact CB-O 3.42Å; M412-R426 PolarHBondContact O-N 2.98Å; C424-R426 PolarHBondContact O-NH1 3.29Å; R426-T498 HydrophobicContact CB-CG2 3.86Å; R426-A558 HydrophobicContact CB-CB 3.85Å; R426-A558 HydrophobicContact CG-CB 3.94Å; R426-E585 IonicContact CZ-OE1 2.95Å; R426-E585 IonicContact NE-OE1 2.56Å; R426-E585 PolarHBondContact NE-OE1 2.86Å; R426-E585 IonicContact NH2-OE1 3.74Å; R426-C631 PolarHBondContact NH1-SG 3.46Å; R426-C631 VanDerWaalsContact NH1-SG 3.39Å
427T98.9Very high98.2Very high0 Ų034.5 Ų34.50%017%0.173CC..  trans-72.2161-173.266.70000112.8M412 C432 Y433 L440 F496 T498 C630M412-T427 HydrophobicContact CE-CG2 4.44Å; M412-T427 HydrophobicContact SD-CG2 4.36Å; T427-C432 HydrophobicContact CG2-CB 4.06Å; T427-Y433 HydrophobicContact CG2-CE1 4.37Å; T427-Y433 HydrophobicContact CG2-CE2 4.04Å; T427-L440 HydrophobicContact CG2-CD1 4.16Å; T427-L440 HydrophobicContact CG2-CD2 4.32Å; T427-F496 WeakPolarHBondContact OG1-CD2 3.41Å; T427-F496 VanDerWaalsContact OG1-CE2 3.28Å; T427-F496 WeakPolarHBondContact OG1-CE2 3.47Å; T427-T498 PolarHBondContact O-OG1 2.95Å; T427-C630 PolarHBondContact N-O 2.91Å; T427-C630 PolarHBondContact O-SG 2.93Å; T427-C630 PolarHBondContact OG1-O 3.12Å; T427-C630 VanDerWaalsContact OG1-O 3.08Å
428G98.7Very high98.1Very high1 Ų137.6 Ų37.61%0.0119%0.189CC..SBendtrans-90-24.8-179.200000114.6F496G428-F496 WeakPolarHBondContact O-CB 3.2Å; G428-F496 PolarHBondContact O-N 3.01Å
429E98.8Very high98.1Very high11 Ų1136.7 Ų36.75%0.05119%0.185CC..SBendtrans-168.1176.2179.260.9-175.9125.100110.7T403 H405 A407 E431 C432 L495 F496T403-E429 WeakPolarHBondContact CB-OE1 3.44Å; T403-E429 HydrophobicContact CG2-CG 4.37Å; T403-E429 PolarHBondContact OG1-OE1 3.09Å; H405-E429 IonicContact CE1-OE2 3.88Å; H405-E429 IonicContact CG-OE2 3.6Å; H405-E429 IonicContact ND1-OE2 2.79Å; H405-E429 PolarHBondContact ND1-OE2 3.18Å; A407-E429 HydrophobicContact CB-CG 4.17Å; E429-E431 VanDerWaalsContact C-N 3.34Å; E429-E431 HydrophobicContact CG-CB 4.07Å; E429-E431 PolarHBondContact O-N 2.89Å; E429-C432 WeakPolarHBondContact O-CB 3.47Å; E429-C432 PolarHBondContact O-N 3.3Å; E429-L495 HydrophobicContact CB-CD2 3.8Å; E429-L495 HydrophobicContact CG-CD2 4.21Å; E429-F496 VanDerWaalsContact C-CE2 3.42Å
430A98.7Very high98.2Very high36 Ų3635.2 Ų35.230%0.29818%0.178SC..THydrogen-bonded Turntrans-65-35.5179.200000113C432 Y433 F496 A620 I628A430-C432 PolarHBondContact O-N 3.16Å; A430-C432 VanDerWaalsContact O-N 3.14Å; A430-Y433 WeakPolarHBondContact O-CD2 3.33Å; A430-Y433 PolarHBondContact O-N 3.34Å; A430-F496 HydrophobicContact CB-CZ 4.17Å; A430-A620 HydrophobicContact CB-CB 4.33Å; A430-I628 HydrophobicContact CB-CB 4.4Å; A430-I628 HydrophobicContact CB-CG2 3.9Å
431E98.7Very high98.1Very high46 Ų4633.9 Ų33.922%0.21517%0.171CC..THydrogen-bonded Turntrans-62.5-20.7179.3-160.3-160.4111.600113T403 T404 E429 Y433 S434 T435T403-E431 VanDerWaalsContact CA-OE1 3.23Å; T403-E431 WeakPolarHBondContact CA-OE1 3.43Å; T403-E431 VanDerWaalsContact CB-OE1 3.22Å; T403-E431 WeakPolarHBondContact CB-OE1 3.5Å; T403-E431 HydrophobicContact CG2-CB 4.2Å; T403-E431 HydrophobicContact CG2-CG 4.44Å; T404-E431 WeakPolarHBondContact CB-OE2 3.03Å; T404-E431 PolarHBondContact N-OE1 2.91Å; T404-E431 VanDerWaalsContact N-OE1 3.07Å; T404-E431 PolarHBondContact N-OE2 3.08Å; T404-E431 PolarHBondContact OG1-OE2 3.3Å; E429-E431 VanDerWaalsContact C-N 3.34Å; E429-E431 HydrophobicContact CG-CB 4.07Å; E429-E431 PolarHBondContact O-N 2.89Å; E431-Y433 PolarHBondContact O-N 3.12Å; E431-Y433 VanDerWaalsContact O-N 3.1Å; E431-S434 PolarHBondContact O-N 2.84Å; E431-S434 VanDerWaalsContact O-N 3.08Å; E431-S434 PolarHBondContact O-OG 3.15Å; E431-T435 WeakPolarHBondContact O-CB 3.45Å; E431-T435 PolarHBondContact O-N 3.37Å; E431-T435 PolarHBondContact O-OG1 3.49Å; E431-T435 PolarHBondContact OE1-OG1 3.26Å
432C98.8Very high98.1Very high0 Ų024.7 Ų24.70%014%0.142CC..Hα-helixtrans-53.1-36.3175.2-70.50000112.3M412 T427 E429 A430 S434 T435 F436 L440M412-C432 HydrophobicContact CE-CB 4Å; T427-C432 HydrophobicContact CG2-CB 4.06Å; E429-C432 WeakPolarHBondContact O-CB 3.47Å; E429-C432 PolarHBondContact O-N 3.3Å; A430-C432 PolarHBondContact O-N 3.16Å; A430-C432 VanDerWaalsContact O-N 3.14Å; C432-S434 VanDerWaalsContact C-N 3.26Å; C432-S434 PolarHBondContact O-N 3.27Å; C432-T435 PolarHBondContact O-N 3.41Å; C432-F436 HydrophobicContact CB-CD2 4.11Å; C432-F436 PolarHBondContact O-N 3.46Å; C432-L440 HydrophobicContact CB-CD1 4.28Å; C432-L440 WeakPolarHBondContact O-CD1 3.34Å
433Y98.4Very high98.2Very high7 Ų724 Ų243%0.02714%0.137CC..Hα-helixtrans-70.4-16-176.8-69.2-79.2000114.4T427 A430 E431 L440 I444 Y625 I628 T629 P632 L635T427-Y433 HydrophobicContact CG2-CE1 4.37Å; T427-Y433 HydrophobicContact CG2-CE2 4.04Å; A430-Y433 WeakPolarHBondContact O-CD2 3.33Å; A430-Y433 PolarHBondContact O-N 3.34Å; E431-Y433 PolarHBondContact O-N 3.12Å; E431-Y433 VanDerWaalsContact O-N 3.1Å; Y433-L440 HydrophobicContact CD1-CB 4.46Å; Y433-L440 HydrophobicContact CD1-CD1 3.88Å; Y433-L440 HydrophobicContact CE1-CD1 4.23Å; Y433-L440 HydrophobicContact CG-CD1 4.29Å; Y433-I444 HydrophobicContact CD1-CD1 3.83Å; Y433-I444 HydrophobicContact CE1-CD1 3.9Å; Y433-Y625 HydrophobicContact CD1-CD2 4.28Å; Y433-Y625 HydrophobicContact CD1-CE2 4.31Å; Y433-Y625 HydrophobicContact CG-CD2 4.4Å; Y433-I628 HydrophobicContact CD2-CG2 3.5Å; Y433-I628 HydrophobicContact CE2-CG2 3.42Å; Y433-I628 VanDerWaalsContact CE2-CG2 3.42Å; Y433-T629 WeakPolarHBondContact CE2-O 3.35Å; Y433-T629 PolarHBondContact OH-O 3.01Å; Y433-P632 HydrophobicContact CE1-CB 4.38Å; Y433-P632 HydrophobicContact CE1-CG 4.21Å; Y433-L635 HydrophobicContact CD1-CD1 4.3Å; Y433-L635 HydrophobicContact CE1-CD1 3.7Å; Y433-L635 HydrophobicContact CE1-CD2 3.99Å; Y433-L635 HydrophobicContact CE1-CG 4.31Å; Y433-L635 HydrophobicContact CE2-CD2 4.29Å
434S98Very high98.1Very high75 Ų7521.1 Ų21.152%0.52412%0.122SC..Hα-helixtrans-103-42.2169.953.60000111.6E431 C432 F436 I437E431-S434 PolarHBondContact O-N 2.84Å; E431-S434 VanDerWaalsContact O-N 3.08Å; E431-S434 PolarHBondContact O-OG 3.15Å; C432-S434 VanDerWaalsContact C-N 3.26Å; C432-S434 PolarHBondContact O-N 3.27Å; S434-F436 PolarHBondContact O-N 3.05Å; S434-I437 WeakPolarHBondContact O-CB 3.47Å
435T98.6Very high97.9Very high19 Ų1922.1 Ų22.112%0.11713%0.129CC..Hα-helixtrans-67.3-35.9-175.8-72.30000113.4Y398 K401 T403 E431 C432Y398-T435 WeakPolarHBondContact CE1-O 3.38Å; K401-T435 HydrophobicContact CD-CG2 4.16Å; K401-T435 PolarHBondContact NZ-O 3.08Å; T403-T435 HydrophobicContact CG2-CG2 3.92Å; E431-T435 WeakPolarHBondContact O-CB 3.45Å; E431-T435 PolarHBondContact O-N 3.37Å; E431-T435 PolarHBondContact O-OG1 3.49Å; E431-T435 PolarHBondContact OE1-OG1 3.26Å; C432-T435 PolarHBondContact O-N 3.41Å
436F98.8Very high97.7Very high0 Ų024.8 Ų24.80%014%0.143CC..THydrogen-bonded Turntrans-114.333.6-179.9-52.5-68.9000112.3Y398 K401 T403 L409 M412 C432 S434 D438 Y439 L440Y398-F436 AromaticContact CD1-CD1 3.82Å; Y398-F436 HydrophobicContact CD1-CD1 3.82Å; Y398-F436 HydrophobicContact CD1-CE1 4.33Å; Y398-F436 HydrophobicContact CD2-CD1 4.19Å; Y398-F436 HydrophobicContact CE1-CD1 4.26Å; Y398-F436 HydrophobicContact CE2-CB 4.47Å; Y398-F436 AromaticContact CG-CD1 3.77Å; Y398-F436 HydrophobicContact CG-CD1 3.77Å; Y398-F436 HydrophobicContact CG-CE1 4.38Å; K401-F436 HydrophobicContact CB-CE1 4.18Å; K401-F436 HydrophobicContact CD-CE1 4.32Å; K401-F436 HydrophobicContact CG-CE1 4.33Å; T403-F436 HydrophobicContact CG2-CE2 3.82Å; T403-F436 HydrophobicContact CG2-CZ 4.47Å; L409-F436 HydrophobicContact CB-CD1 4.17Å; L409-F436 HydrophobicContact CB-CE1 4.19Å; M412-F436 HydrophobicContact CE-CB 4.29Å; M412-F436 HydrophobicContact CE-CD2 3.41Å; M412-F436 VanDerWaalsContact CE-CD2 3.41Å; M412-F436 HydrophobicContact CE-CE2 3.97Å; M412-F436 HydrophobicContact CE-CG 4.02Å; C432-F436 HydrophobicContact CB-CD2 4.11Å; C432-F436 PolarHBondContact O-N 3.46Å; S434-F436 PolarHBondContact O-N 3.05Å; F436-D438 VanDerWaalsContact C-N 3.32Å; F436-D438 PolarHBondContact O-N 3.31Å; F436-Y439 PolarHBondContact O-N 3.36Å; F436-Y439 VanDerWaalsContact O-N 3.1Å; F436-L440 HydrophobicContact CB-CD1 4.41Å; F436-L440 PolarHBondContact O-N 3.3Å; F436-L440 VanDerWaalsContact O-N 3.09Å
437I97.9Very high97.4Very high60 Ų6026 Ų2631%0.30815%0.148SC..Hα-helixtrans-58.4-36.4-171.1-165.7167.2000113.9S434 Y439 L440 D441S434-I437 WeakPolarHBondContact O-CB 3.47Å; I437-Y439 PolarHBondContact O-N 3.47Å; I437-L440 PolarHBondContact O-N 2.95Å; I437-D441 HydrophobicContact CG1-CB 3.97Å; I437-D441 WeakPolarHBondContact O-CB 3.49Å; I437-D441 PolarHBondContact O-N 3.43Å
438D98.1Very high97Very high70 Ų7026.7 Ų26.737%0.37415%0.151SC..Hα-helixtrans-65.8-23.5-179.6-61.531.3000112.8I394 K397 Y398 F436 P442I394-D438 HydrophobicContact CD1-CB 3.66Å; K397-D438 IonicContact NZ-OD1 2.82Å; K397-D438 PolarHBondContact NZ-OD1 3.44Å; K397-D438 IonicContact NZ-OD2 2.67Å; K397-D438 PolarHBondContact NZ-OD2 2.8Å; Y398-D438 HydrophobicContact CE2-CB 3.98Å; Y398-D438 WeakPolarHBondContact OH-CB 3.41Å; Y398-D438 PolarHBondContact OH-N 3.29Å; Y398-D438 PolarHBondContact OH-OD1 3.06Å; F436-D438 VanDerWaalsContact C-N 3.32Å; F436-D438 PolarHBondContact O-N 3.31Å; D438-P442 WeakPolarHBondContact O-CD 3.3Å; D438-P442 WeakPolarHBondContact O-CG 3.37Å
439Y98.8Very high96.6Very high0 Ų029.3 Ų29.30%018%0.179CC..Hα-helixtrans-88.2-47.9174.1169.5-110.6000111.1T386 Y389 L390 I394 L409 M412 P425 F436 I437 L443T386-Y439 WeakPolarHBondContact CA-OH 3.41Å; T386-Y439 WeakPolarHBondContact CG2-OH 3.44Å; T386-Y439 PolarHBondContact O-OH 2.98Å; Y389-Y439 WeakPolarHBondContact O-CD2 3.33Å; L390-Y439 HydrophobicContact CB-CE2 4.12Å; L390-Y439 HydrophobicContact CD1-CD2 4.44Å; L390-Y439 HydrophobicContact CD1-CE2 4.24Å; I394-Y439 HydrophobicContact CG2-CD2 4.03Å; I394-Y439 HydrophobicContact CG2-CG 4.26Å; L409-Y439 HydrophobicContact CD1-CD1 3.38Å; L409-Y439 HydrophobicContact CD1-CD2 4.45Å; L409-Y439 HydrophobicContact CD1-CE1 3.62Å; L409-Y439 HydrophobicContact CD1-CG 3.84Å; M412-Y439 HydrophobicContact CG-CE1 4.28Å; M412-Y439 HydrophobicContact SD-CD1 3.84Å; M412-Y439 HydrophobicContact SD-CE1 3.64Å; P425-Y439 HydrophobicContact CB-CE1 4.48Å; P425-Y439 HydrophobicContact CG-CE1 4.24Å; F436-Y439 PolarHBondContact O-N 3.36Å; F436-Y439 VanDerWaalsContact O-N 3.1Å; I437-Y439 PolarHBondContact O-N 3.47Å; Y439-L443 WeakPolarHBondContact O-CB 3.38Å
440L98.4Very high96.1Very high0 Ų029.9 Ų29.90%018%0.183CC..Hα-helixtrans-77.2-40.7-171.6-72.9171.7000113.3M412 P425 T427 C432 Y433 F436 I437 L443 I444 P632M412-L440 HydrophobicContact CE-CD1 4.38Å; M412-L440 HydrophobicContact SD-CD1 4.27Å; M412-L440 HydrophobicContact SD-CD2 3.95Å; M412-L440 HydrophobicContact SD-CG 4.25Å; P425-L440 HydrophobicContact CG-CD2 4.3Å; T427-L440 HydrophobicContact CG2-CD1 4.16Å; T427-L440 HydrophobicContact CG2-CD2 4.32Å; C432-L440 HydrophobicContact CB-CD1 4.28Å; C432-L440 WeakPolarHBondContact O-CD1 3.34Å; Y433-L440 HydrophobicContact CD1-CB 4.46Å; Y433-L440 HydrophobicContact CD1-CD1 3.88Å; Y433-L440 HydrophobicContact CE1-CD1 4.23Å; Y433-L440 HydrophobicContact CG-CD1 4.29Å; F436-L440 HydrophobicContact CB-CD1 4.41Å; F436-L440 PolarHBondContact O-N 3.3Å; F436-L440 VanDerWaalsContact O-N 3.09Å; I437-L440 PolarHBondContact O-N 2.95Å; L440-L443 WeakPolarHBondContact O-CB 3.21Å; L440-L443 PolarHBondContact O-N 3.02Å; L440-I444 HydrophobicContact CB-CD1 4.13Å; L440-I444 WeakPolarHBondContact O-CB 3.38Å; L440-I444 VanDerWaalsContact O-CD1 3.27Å; L440-I444 WeakPolarHBondContact O-CD1 3.43Å; L440-I444 WeakPolarHBondContact O-CG1 3.46Å; L440-I444 PolarHBondContact O-N 2.94Å; L440-P632 HydrophobicContact CD2-CG 3.97Å
441D96.4Very high95.1Very high29 Ų2938.2 Ų38.216%0.15521%0.212CC..Hα-helixtrans-61.7-51.7-175.9-168.456.4000113.7I437 L443 I444 C445 K624 Y625I437-D441 HydrophobicContact CG1-CB 3.97Å; I437-D441 WeakPolarHBondContact O-CB 3.49Å; I437-D441 PolarHBondContact O-N 3.43Å; D441-L443 VanDerWaalsContact C-N 3.26Å; D441-L443 PolarHBondContact O-N 3.2Å; D441-I444 PolarHBondContact O-N 3.35Å; D441-I444 VanDerWaalsContact O-N 3.14Å; D441-C445 PolarHBondContact O-N 3.39Å; D441-C445 PolarHBondContact O-SG 3.2Å; D441-C445 VanDerWaalsContact O-SG 3.37Å; D441-K624 WeakPolarHBondContact OD1-CE 3.43Å; D441-K624 IonicContact OD1-NZ 2.65Å; D441-K624 PolarHBondContact OD1-NZ 2.87Å; D441-K624 IonicContact OD2-NZ 3.4Å; D441-K624 PolarHBondContact OD2-NZ 3.38Å; D441-Y625 WeakPolarHBondContact CB-OH 3.29Å; D441-Y625 WeakPolarHBondContact OD1-CE1 3.44Å; D441-Y625 PolarHBondContact OD1-OH 3.35Å
442P96Very high94.3Very high48 Ų4840.6 Ų40.631%0.31223%0.227SC..Hα-helixtrans-65.8-31.8178.428.2-36.3000112.1Y389 D438 D446Y389-P442 HydrophobicContact CD1-CB 3.8Å; Y389-P442 HydrophobicContact CD1-CG 3.83Å; Y389-P442 HydrophobicContact CE1-CB 3.63Å; Y389-P442 HydrophobicContact CE1-CG 4.19Å; D438-P442 WeakPolarHBondContact O-CD 3.3Å; D438-P442 WeakPolarHBondContact O-CG 3.37Å; P442-D446 WeakPolarHBondContact O-CB 3.36Å; P442-D446 PolarHBondContact O-N 2.96Å
443L97Very high93Very high0 Ų045.3 Ų45.30%026%0.26CS..Hα-helixtrans-62.2-45.2171.6179152.2000111.9Y389 P425 Y439 L440 D441 D446 Y447 P632Y389-L443 HydrophobicContact CD2-CB 3.67Å; Y389-L443 HydrophobicContact CD2-CD1 4.35Å; Y389-L443 HydrophobicContact CD2-CG 4.13Å; Y389-L443 HydrophobicContact CE2-CB 4.26Å; Y389-L443 HydrophobicContact CG-CB 4.02Å; P425-L443 HydrophobicContact CG-CD1 4.03Å; Y439-L443 WeakPolarHBondContact O-CB 3.38Å; L440-L443 WeakPolarHBondContact O-CB 3.21Å; L440-L443 PolarHBondContact O-N 3.02Å; D441-L443 VanDerWaalsContact C-N 3.26Å; D441-L443 PolarHBondContact O-N 3.2Å; L443-D446 PolarHBondContact O-N 2.95Å; L443-Y447 WeakPolarHBondContact O-CB 3.44Å; L443-Y447 PolarHBondContact O-N 2.8Å; L443-P632 HydrophobicContact CD2-CB 3.83Å; L443-P632 HydrophobicContact CD2-CG 4.09Å
444I95.6Very high92.2Very high1 Ų148.5 Ų48.51%0.00529%0.288CS..Hα-helixtrans-64.7-47.3179.5-72.7160.4000110.1Y433 L440 D441 D446 Y447 H448 Y625 P632 L635 L691Y433-I444 HydrophobicContact CD1-CD1 3.83Å; Y433-I444 HydrophobicContact CE1-CD1 3.9Å; L440-I444 HydrophobicContact CB-CD1 4.13Å; L440-I444 WeakPolarHBondContact O-CB 3.38Å; L440-I444 VanDerWaalsContact O-CD1 3.27Å; L440-I444 WeakPolarHBondContact O-CD1 3.43Å; L440-I444 WeakPolarHBondContact O-CG1 3.46Å; L440-I444 PolarHBondContact O-N 2.94Å; D441-I444 PolarHBondContact O-N 3.35Å; D441-I444 VanDerWaalsContact O-N 3.14Å; I444-D446 VanDerWaalsContact C-N 3.32Å; I444-D446 PolarHBondContact O-N 3.36Å; I444-Y447 PolarHBondContact O-N 3.3Å; I444-H448 WeakPolarHBondContact O-CB 3.45Å; I444-H448 PolarHBondContact O-CD2 2.96Å; I444-H448 PolarHBondContact O-N 2.98Å; I444-Y625 HydrophobicContact CD1-CD1 4.08Å; I444-Y625 HydrophobicContact CD1-CE1 3.73Å; I444-Y625 HydrophobicContact CD1-CE2 4.4Å; I444-Y625 HydrophobicContact CG2-CD1 4.07Å; I444-Y625 HydrophobicContact CG2-CE1 4.06Å; I444-P632 HydrophobicContact CG1-CB 3.86Å; I444-L635 HydrophobicContact CD1-CD1 3.55Å; I444-L635 HydrophobicContact CG1-CD1 3.76Å; I444-L635 HydrophobicContact CG2-CD1 4.16Å; I444-L691 HydrophobicContact CG2-CD2 3.53Å
445C94.2Very high91.7Very high28 Ų2847.2 Ų47.219%0.18927%0.273CS..Hα-helixtrans-59.3-44178.6-72.10000111.6D441 G449 V450D441-C445 PolarHBondContact O-N 3.39Å; D441-C445 PolarHBondContact O-SG 3.2Å; D441-C445 VanDerWaalsContact O-SG 3.37Å; C445-G449 CarbonylContact O-C 3.53Å; C445-G449 WeakPolarHBondContact O-CA 3.3Å; C445-G449 PolarHBondContact O-N 2.84Å; C445-V450 WeakPolarHBondContact CB-O 3.3Å; C445-V450 PolarHBondContact O-N 2.76Å
446D93.7Very high91.4Very high55 Ų5553.2 Ų53.229%0.29430%0.297SS..Hα-helixtrans-65.3-51176.9-170.922.6000111.9Y385 K388 Y389 P442 L443 I444 H448 G449Y385-D446 HydrophobicContact CD1-CB 4.33Å; Y385-D446 WeakPolarHBondContact CD1-OD2 3.18Å; Y385-D446 HydrophobicContact CE1-CB 4.15Å; Y385-D446 VanDerWaalsContact CE1-OD2 3.26Å; Y385-D446 WeakPolarHBondContact CE1-OD2 3.31Å; K388-D446 IonicContact NZ-OD1 3.79Å; K388-D446 IonicContact NZ-OD2 3.81Å; K388-D446 PolarHBondContact NZ-OD2 3.33Å; Y389-D446 HydrophobicContact CE2-CB 3.93Å; Y389-D446 WeakPolarHBondContact CE2-OD2 3.4Å; Y389-D446 WeakPolarHBondContact OH-CB 3.39Å; Y389-D446 PolarHBondContact OH-OD2 3.26Å; P442-D446 WeakPolarHBondContact O-CB 3.36Å; P442-D446 PolarHBondContact O-N 2.96Å; L443-D446 PolarHBondContact O-N 2.95Å; I444-D446 VanDerWaalsContact C-N 3.32Å; I444-D446 PolarHBondContact O-N 3.36Å; D446-H448 PolarHBondContact O-N 3.16Å; D446-G449 PolarHBondContact O-N 2.78Å
447Y92.5Very high91.2Very high59 Ų5953.9 Ų53.923%0.23130%0.3CS..Hα-helixtrans-60.1-44.3-178.4-175.6-83.8000112.7Y385 I423 L443 I444 S633Y385-Y447 AromaticContact CD2-CD2 3.86Å; Y385-Y447 HydrophobicContact CD2-CD2 3.86Å; Y385-Y447 AromaticContact CE2-CD2 3.59Å; Y385-Y447 HydrophobicContact CE2-CD2 3.59Å; Y385-Y447 HydrophobicContact CE2-CE2 4.18Å; Y385-Y447 HydrophobicContact CG-CD2 4.47Å; Y385-Y447 AromaticContact CZ-CD2 3.97Å; I423-Y447 HydrophobicContact CD1-CE2 4.44Å; L443-Y447 WeakPolarHBondContact O-CB 3.44Å; L443-Y447 PolarHBondContact O-N 2.8Å; I444-Y447 PolarHBondContact O-N 3.3Å; Y447-S633 VanDerWaalsContact CE1-CB 3.41Å; Y447-S633 WeakPolarHBondContact OH-CB 3.35Å
448H92Very high91.1Very high15 Ų1552.9 Ų52.97%0.06930%0.298CS..Hα-helixtrans-89.5-3.3-177.8-69.2-80.6000113.7I444 D446 V450 P632 S633 L691I444-H448 WeakPolarHBondContact O-CB 3.45Å; I444-H448 PolarHBondContact O-CD2 2.96Å; I444-H448 PolarHBondContact O-N 2.98Å; D446-H448 PolarHBondContact O-N 3.16Å; H448-V450 VanDerWaalsContact C-N 3.3Å; H448-V450 HydrophobicContact CB-CG2 4.01Å; H448-V450 PolarHBondContact O-N 3.36Å; H448-P632 PolarHBondContact NE2-O 3.04Å; H448-S633 PolarHBondContact CE1-O 2.83Å; H448-L691 HydrophobicContact CB-CB 4.05Å; H448-L691 HydrophobicContact CB-CD2 4.27Å
449G89.5Confident91.1Very high57 Ų5752.8 Ų52.859%0.58831%0.306SS*.THydrogen-bonded Turntrans65.231.6-178.100000113.7C445 D446C445-G449 CarbonylContact O-C 3.53Å; C445-G449 WeakPolarHBondContact O-CA 3.3Å; C445-G449 PolarHBondContact O-N 2.84Å; D446-G449 PolarHBondContact O-N 2.78Å
450V87.5Confident91Very high23 Ų2355.3 Ų55.314%0.13932%0.323CS..  trans-84.3119.8176.3-178.90000108.5C445 H448 F455 L691C445-V450 WeakPolarHBondContact CB-O 3.3Å; C445-V450 PolarHBondContact O-N 2.76Å; H448-V450 VanDerWaalsContact C-N 3.3Å; H448-V450 HydrophobicContact CB-CG2 4.01Å; H448-V450 PolarHBondContact O-N 3.36Å; V450-F455 HydrophobicContact CG1-CB 3.59Å; V450-F455 HydrophobicContact CG1-CD1 3.9Å; V450-F455 HydrophobicContact CG1-CD2 4.25Å; V450-F455 HydrophobicContact CG1-CG 3.62Å; V450-L691 HydrophobicContact CG2-CD2 4.18Å
451K77.9Confident91Very high210 Ų21058.4 Ų58.491%0.91334%0.342SS*.  trans-95.1-26.1-175.8-63.8-173.2180-178.50114.1
452D81.5Confident91.1Very high97 Ų9758.5 Ų58.552%0.51934%0.341SS..  trans-93.9120.2-177.2-172.5-3.9000110.1A454 F455D452-A454 PolarHBondContact O-N 2.78Å; D452-A454 WeakPolarHBondContact OD1-CB 3.5Å; D452-A454 PolarHBondContact OD1-N 2.77Å; D452-F455 HydrophobicContact CB-CB 4.46Å; D452-F455 WeakPolarHBondContact O-CB 3.44Å; D452-F455 PolarHBondContact O-N 3.24Å; D452-F455 VanDerWaalsContact O-N 3.13Å
453S73.3Confident91.1Very high98 Ų9858 Ų5869%0.68534%0.344SS*.THydrogen-bonded Turntrans-70.2-20.2177.557.30000112.9
454A81.4Confident91.1Very high75 Ų7562.3 Ų62.362%0.6237%0.368SS*.THydrogen-bonded Turntrans-83.93.3172.700000112.9D452 K456D452-A454 PolarHBondContact O-N 2.78Å; D452-A454 WeakPolarHBondContact OD1-CB 3.5Å; D452-A454 PolarHBondContact OD1-N 2.77Å; A454-K456 PolarHBondContact O-N 2.93Å
455F87.6Confident91.2Very high47 Ų4764.1 Ų64.121%0.20638%0.377CS..  trans-56132.2179.9173.4-94.8000111.9V450 D452 H457 L691V450-F455 HydrophobicContact CG1-CB 3.59Å; V450-F455 HydrophobicContact CG1-CD1 3.9Å; V450-F455 HydrophobicContact CG1-CD2 4.25Å; V450-F455 HydrophobicContact CG1-CG 3.62Å; D452-F455 HydrophobicContact CB-CB 4.46Å; D452-F455 WeakPolarHBondContact O-CB 3.44Å; D452-F455 PolarHBondContact O-N 3.24Å; D452-F455 VanDerWaalsContact O-N 3.13Å; F455-H457 HydrophobicContact CE1-CB 4.17Å; F455-H457 HydrophobicContact CZ-CB 4.35Å; F455-L691 HydrophobicContact CE1-CD1 4.17Å; F455-L691 HydrophobicContact CE1-CD2 4.45Å; F455-L691 HydrophobicContact CE1-CG 3.96Å
456K90.7Very high91.3Very high146 Ų14667.8 Ų67.864%0.63540%0.403SS*.  trans-115.6137.3166.9-65.5-174.4-179.9-171.10108.8A454A454-K456 PolarHBondContact O-N 2.93Å
457H95.9Very high91.5Very high13 Ų1373.4 Ų73.46%0.0643%0.425CS..PPolyproline II helixtrans-66.3136.4172-166.967.1000109.3F455 D623 K624 G626 G636 T637 L691 L693F455-H457 HydrophobicContact CE1-CB 4.17Å; F455-H457 HydrophobicContact CZ-CB 4.35Å; H457-D623 PolarHBondContact N-O 3.31Å; H457-K624 PolarHBondContact N-O 2.99Å; H457-G626 VanDerWaalsContact CD2-CA 3.45Å; H457-G626 WeakPolarHBondContact CD2-CA 3.37Å; H457-G636 WeakPolarHBondContact CE1-CA 3.43Å; H457-G636 WeakPolarHBondContact NE2-CA 3.42Å; H457-T637 PolarHBondContact NE2-N 3.37Å; H457-L691 HydrophobicContact CB-CD1 4.08Å; H457-L693 PolarHBondContact CE1-O 3.15Å
458P96Very high91.7Very high39 Ų3972.1 Ų72.125%0.25342%0.422SS..PPolyproline II helixtrans-57.8152.2173.524.6-35.5000111.1T694P458-T694 HydrophobicContact CB-CG2 3.93Å; P458-T694 HydrophobicContact CG-CG2 3.89Å
459A96.4Very high92Very high68 Ų6874.6 Ų74.656%0.56244%0.439SS*.PPolyproline II helixtrans-60154.2170.400000110.7T461A459-T461 PolarHBondContact O-N 3.43Å; A459-T461 PolarHBondContact O-OG1 2.92Å
460P97.5Very high92.4Very high54 Ų5472.8 Ų72.835%0.35142%0.415SS..PPolyproline II helixtrans-50.7117178-27.334.9000111.3F462 Y627P460-F462 HydrophobicContact CB-CE1 4.41Å; P460-F462 HydrophobicContact CB-CE2 4.49Å; P460-F462 HydrophobicContact CB-CZ 4.02Å; P460-Y627 HydrophobicContact CB-CE2 4.2Å; P460-Y627 HydrophobicContact CG-CE2 3.86Å; P460-Y627 WeakPolarHBondContact CG-OH 3.25Å
461T98.1Very high92.8Very high64 Ų6473.4 Ų73.439%0.39343%0.426SS..  trans-135.287.1-171.5-57.20000109.4A459 T694 E695 L696A459-T461 PolarHBondContact O-N 3.43Å; A459-T461 PolarHBondContact O-OG1 2.92Å; T461-T694 HydrophobicContact CG2-CG2 4.16Å; T461-E695 PolarHBondContact N-OE2 3.3Å; T461-L696 PolarHBondContact O-N 3.05Å
462F98Very high93.7Very high31 Ų3166.6 Ų66.614%0.13640%0.4CS..  trans-80.8-18.9-175.3-52.6-48.7000114.2P460 Y603 I607 E695P460-F462 HydrophobicContact CB-CE1 4.41Å; P460-F462 HydrophobicContact CB-CE2 4.49Å; P460-F462 HydrophobicContact CB-CZ 4.02Å; F462-Y603 WeakPolarHBondContact CA-OH 3.36Å; F462-Y603 WeakPolarHBondContact O-CE1 3.05Å; F462-Y603 PolarHBondContact O-OH 3.07Å; F462-I607 HydrophobicContact CB-CD1 4.27Å; F462-I607 HydrophobicContact CB-CG1 4.16Å; F462-I607 HydrophobicContact CB-CG2 3.74Å; F462-I607 HydrophobicContact CD1-CD1 3.62Å; F462-I607 HydrophobicContact CD1-CG1 4.41Å; F462-I607 HydrophobicContact CD1-CG2 4.33Å; F462-I607 HydrophobicContact CD2-CG2 3.59Å; F462-I607 HydrophobicContact CE1-CD1 4.16Å; F462-I607 HydrophobicContact CE2-CG2 4.27Å; F462-I607 HydrophobicContact CG-CD1 3.99Å; F462-I607 HydrophobicContact CG-CG1 4.3Å; F462-I607 HydrophobicContact CG-CG2 3.62Å; F462-E695 HydrophobicContact CD1-CB 3.86Å; F462-E695 HydrophobicContact CD1-CG 3.73Å; F462-E695 HydrophobicContact CE1-CB 4.37Å; F462-E695 HydrophobicContact CE1-CG 3.71Å
463G97Very high94.4Very high37 Ų3763.5 Ų63.538%0.38138%0.383SS..  trans85.2177.8-174.800000114L465G463-L465 PolarHBondContact O-N 2.93Å
464D97.5Very high95.6Very high92 Ų9259 Ų5949%0.49235%0.351SS..  trans-76.7108.9171.5-179.4-8.2000109.5S466 K467 L468D464-S466 VanDerWaalsContact CG-OG 3.29Å; D464-S466 PolarHBondContact O-N 3.44Å; D464-S466 VanDerWaalsContact O-N 3.12Å; D464-S466 WeakPolarHBondContact OD1-CB 3.32Å; D464-S466 PolarHBondContact OD1-N 3.15Å; D464-S466 PolarHBondContact OD1-OG 3.46Å; D464-S466 PolarHBondContact OD2-OG 2.99Å; D464-K467 HydrophobicContact CB-CB 4.47Å; D464-K467 CarbonylContact O-C 3.53Å; D464-K467 VanDerWaalsContact O-C 3.25Å; D464-K467 PolarHBondContact O-N 2.95Å; D464-L468 PolarHBondContact O-N 3.43Å
465L97.5Very high96.2Very high38 Ų3860.4 Ų60.420%0.19935%0.354CS..THydrogen-bonded Turntrans-64.5-15.3-177.7-57.9-174.3000113.6G463 L468 Y603 K604 I607 E608G463-L465 PolarHBondContact O-N 2.93Å; L465-L468 HydrophobicContact CD2-CD2 4.44Å; L465-Y603 HydrophobicContact CD2-CD1 4.4Å; L465-Y603 HydrophobicContact CD2-CE1 4.12Å; L465-K604 HydrophobicContact CB-CG 4.26Å; L465-I607 HydrophobicContact CD1-CB 4.13Å; L465-I607 HydrophobicContact CD1-CG2 3.95Å; L465-I607 HydrophobicContact CD2-CB 4.01Å; L465-I607 HydrophobicContact CD2-CG1 4.08Å; L465-I607 HydrophobicContact CD2-CG2 4.07Å; L465-E608 HydrophobicContact CD1-CG 4.07Å
466S96.3Very high96.5Very high105 Ų10562.3 Ų62.373%0.73437%0.37SS*.THydrogen-bonded Turntrans-88-16.7174.174.80000113.3D464D464-S466 VanDerWaalsContact CG-OG 3.29Å; D464-S466 PolarHBondContact O-N 3.44Å; D464-S466 VanDerWaalsContact O-N 3.12Å; D464-S466 WeakPolarHBondContact OD1-CB 3.32Å; D464-S466 PolarHBondContact OD1-N 3.15Å; D464-S466 PolarHBondContact OD1-OG 3.46Å; D464-S466 PolarHBondContact OD2-OG 2.99Å
467K97.3Very high96.5Very high173 Ų17357.6 Ų57.675%0.75236%0.363SS*.SBendtrans-141.264.4-175.4-164.2179.4179.91800111.4D464D464-K467 HydrophobicContact CB-CB 4.47Å; D464-K467 CarbonylContact O-C 3.53Å; D464-K467 VanDerWaalsContact O-C 3.25Å; D464-K467 PolarHBondContact O-N 2.95Å
468L97.9Very high96.5Very high32 Ų3264.2 Ų64.217%0.16839%0.391CS..  trans-74.6149.1178-66.3170000111.6D464 L465 F470 A600 Y603 L696D464-L468 PolarHBondContact O-N 3.43Å; L465-L468 HydrophobicContact CD2-CD2 4.44Å; L468-F470 HydrophobicContact CB-CD2 4.32Å; L468-F470 HydrophobicContact CB-CE2 4.17Å; L468-F470 HydrophobicContact CD1-CE2 3.98Å; L468-F470 HydrophobicContact CD2-CZ 4.32Å; L468-F470 HydrophobicContact CG-CE2 4.45Å; L468-F470 PolarHBondContact O-N 3.06Å; L468-A600 HydrophobicContact CD1-CB 4.15Å; L468-Y603 HydrophobicContact CD1-CD1 3.94Å; L468-Y603 HydrophobicContact CD2-CD1 3.95Å; L468-Y603 HydrophobicContact CD2-CE1 3.88Å; L468-L696 HydrophobicContact CD2-CD1 3.86Å
469P97Very high96.5Very high68 Ų6863.6 Ų63.644%0.44239%0.385SS..SBendtrans-77.65.9179.333.3-35.4000113.5L696P469-L696 HydrophobicContact CG-CD1 3.85Å; P469-L696 HydrophobicContact CG-CD2 4.37Å; P469-L696 HydrophobicContact CG-CG 4.09Å
470F97.4Very high96.6Very high18 Ų1860.5 Ų60.58%0.07936%0.359CS..  trans-138.9154.6177.142.6-102.4000109.2L468 L599 A600 Y603 L696 A699 H700 A703L468-F470 HydrophobicContact CB-CD2 4.32Å; L468-F470 HydrophobicContact CB-CE2 4.17Å; L468-F470 HydrophobicContact CD1-CE2 3.98Å; L468-F470 HydrophobicContact CD2-CZ 4.32Å; L468-F470 HydrophobicContact CG-CE2 4.45Å; L468-F470 PolarHBondContact O-N 3.06Å; F470-L599 HydrophobicContact CB-CD2 4.36Å; F470-L599 HydrophobicContact CD1-CD2 4.45Å; F470-L599 HydrophobicContact CD2-CB 4.3Å; F470-L599 HydrophobicContact CD2-CD2 3.81Å; F470-L599 HydrophobicContact CD2-CG 3.78Å; F470-L599 HydrophobicContact CE2-CD2 4.2Å; F470-L599 HydrophobicContact CE2-CG 3.96Å; F470-L599 HydrophobicContact CG-CD2 3.95Å; F470-L599 HydrophobicContact CG-CG 4.43Å; F470-A600 HydrophobicContact CD2-CB 4.41Å; F470-A600 WeakPolarHBondContact O-CB 3.29Å; F470-Y603 HydrophobicContact CE2-CD1 4.28Å; F470-Y603 HydrophobicContact CE2-CD2 4.47Å; F470-Y603 AromaticContact CE2-CG 3.99Å; F470-Y603 HydrophobicContact CE2-CG 3.99Å; F470-Y603 HydrophobicContact CZ-CD1 4.08Å; F470-Y603 HydrophobicContact CZ-CD2 4.04Å; F470-Y603 HydrophobicContact CZ-CE1 4.4Å; F470-Y603 HydrophobicContact CZ-CE2 4.36Å; F470-Y603 AromaticContact CZ-CG 3.89Å; F470-Y603 HydrophobicContact CZ-CG 3.89Å; F470-L696 HydrophobicContact CE1-CD1 4.01Å; F470-L696 HydrophobicContact CZ-CD1 4.22Å; F470-A699 HydrophobicContact CE1-CB 3.67Å; F470-A699 HydrophobicContact CZ-CB 3.66Å; F470-H700 HydrophobicContact CD1-CB 4.21Å; F470-H700 HydrophobicContact CE1-CB 4.35Å; F470-A703 HydrophobicContact CB-CB 3.92Å; F470-A703 HydrophobicContact CD1-CB 4.4Å; F470-A703 HydrophobicContact CG-CB 4.36Å
471G95.9Very high96.5Very high36 Ų3660 Ų6037%0.37136%0.355SS..  trans-127.7-134.8-178.900000111.7L599 A600G471-L599 PolarHBondContact O-N 3.28Å; G471-A600 PolarHBondContact O-N 3.11Å
472D97.6Very high96.4Very high67 Ų6758.5 Ų58.536%0.35835%0.347SS..BIsolated β-bridgetrans-83.3114.9166.9-165.3-22.9000110.3D474 P475 G597 N598D472-D474 VanDerWaalsContact C-N 3.31Å; D472-D474 VanDerWaalsContact OD1-C 3.23Å; D472-D474 PolarHBondContact OD1-N 2.75Å; D472-P475 HydrophobicContact CB-CG 4.23Å; D472-G597 WeakPolarHBondContact OD1-CA 3.38Å; D472-N598 HydrophobicContact CB-CB 4.24Å; D472-N598 PolarHBondContact OD1-N 2.66Å
473L97.1Very high96.4Very high32 Ų3257 Ų5717%0.16834%0.34CS..SBendtrans-75.6-21.8-176.6-58.8-179.6000112.5I480 G597 L599 A703 V706L473-I480 HydrophobicContact CB-CD1 3.63Å; L473-I480 HydrophobicContact CD1-CD1 4.43Å; L473-G597 PolarHBondContact N-O 3.04Å; L473-L599 HydrophobicContact CD1-CB 4.24Å; L473-L599 HydrophobicContact CD1-CD2 4.13Å; L473-L599 HydrophobicContact CG-CB 4.33Å; L473-A703 HydrophobicContact CD1-CB 4.31Å; L473-A703 HydrophobicContact CD2-CB 3.96Å; L473-V706 HydrophobicContact CD1-CB 4.43Å; L473-V706 HydrophobicContact CD1-CG1 4.18Å
474D97Very high96.4Very high4 Ų457.6 Ų57.62%0.02133%0.331CS..  trans-144.478176.8-178.619000111.2D472 T476 G477 K478 F479 I480 I710D472-D474 VanDerWaalsContact C-N 3.31Å; D472-D474 VanDerWaalsContact OD1-C 3.23Å; D472-D474 PolarHBondContact OD1-N 2.75Å; D474-T476 PolarHBondContact O-N 3.08Å; D474-T476 PolarHBondContact OD1-N 3.14Å; D474-T476 PolarHBondContact OD1-OG1 2.92Å; D474-G477 PolarHBondContact O-N 3.3Å; D474-G477 PolarHBondContact OD1-N 3.31Å; D474-G477 VanDerWaalsContact OD2-C 3.31Å; D474-G477 WeakPolarHBondContact OD2-CA 3.29Å; D474-G477 PolarHBondContact OD2-N 3.48Å; D474-K478 PolarHBondContact OD2-N 3.35Å; D474-F479 WeakPolarHBondContact OD2-CA 3.15Å; D474-F479 PolarHBondContact OD2-N 3.14Å; D474-I480 HydrophobicContact CB-CB 4.09Å; D474-I480 HydrophobicContact CB-CD1 3.79Å; D474-I480 HydrophobicContact CB-CG1 3.93Å; D474-I480 PolarHBondContact OD2-N 3.43Å; D474-I710 HydrophobicContact CB-CD1 4.45Å
475P94Very high96.5Very high105 Ų10553.2 Ų53.268%0.68231%0.308SS*.THydrogen-bonded Turntrans-61-11.5176.9-21.932.9000113.8D472D472-P475 HydrophobicContact CB-CG 4.23Å
476T93.8Very high96.5Very high86 Ų8652.4 Ų52.453%0.52830%0.302SS..THydrogen-bonded Turntrans-92.3-15.6179.7710000113.5D474 K478D474-T476 PolarHBondContact O-N 3.08Å; D474-T476 PolarHBondContact OD1-N 3.14Å; D474-T476 PolarHBondContact OD1-OG1 2.92Å; T476-K478 PolarHBondContact O-N 2.89Å; T476-K478 WeakPolarHBondContact OG1-CG 3.35Å
477G92.4Very high96.6Very high48 Ų4847.4 Ų47.450%0.49527%0.267SS..  trans63.416.9-175.500000114.8D474D474-G477 PolarHBondContact O-N 3.3Å; D474-G477 PolarHBondContact OD1-N 3.31Å; D474-G477 VanDerWaalsContact OD2-C 3.31Å; D474-G477 WeakPolarHBondContact OD2-CA 3.29Å; D474-G477 PolarHBondContact OD2-N 3.48Å
478K94.7Very high96.7Very high151 Ų15139.1 Ų39.166%0.65723%0.231SC*.SBendtrans-80.1-34.5-175.8-73.7-176.2177.6-176.60113.1D474 T476D474-K478 PolarHBondContact OD2-N 3.35Å; T476-K478 PolarHBondContact O-N 2.89Å; T476-K478 WeakPolarHBondContact OG1-CG 3.35Å
479F97.1Very high96.7Very high26 Ų2637.6 Ų37.611%0.11422%0.223CC..SBendtrans-109-47.5-171-53.9-82.3000111D474 L645 K646 I710 E713 K714D474-F479 WeakPolarHBondContact OD2-CA 3.15Å; D474-F479 PolarHBondContact OD2-N 3.14Å; F479-L645 HydrophobicContact CB-CD1 3.88Å; F479-K646 WeakPolarHBondContact O-CB 3.45Å; F479-K646 PolarHBondContact O-N 2.56Å; F479-I710 HydrophobicContact CB-CD1 4.17Å; F479-I710 HydrophobicContact CB-CG1 3.99Å; F479-I710 HydrophobicContact CD1-CG2 4.45Å; F479-I710 HydrophobicContact CD2-CG2 3.65Å; F479-I710 HydrophobicContact CE2-CG2 3.85Å; F479-I710 HydrophobicContact CG-CG1 4.15Å; F479-I710 HydrophobicContact CG-CG2 3.99Å; F479-I710 HydrophobicContact CZ-CG2 4.32Å; F479-E713 HydrophobicContact CD1-CG 3.99Å; F479-E713 HydrophobicContact CE1-CB 4.23Å; F479-E713 HydrophobicContact CE1-CG 3.72Å; F479-K714 HydrophobicContact CE1-CG 4.31Å; F479-K714 HydrophobicContact CE2-CD 4.36Å; F479-K714 HydrophobicContact CE2-CG 4.19Å; F479-K714 HydrophobicContact CZ-CD 4.21Å; F479-K714 HydrophobicContact CZ-CG 3.55Å
480I97.4Very high96.8Very high3 Ų334.4 Ų34.42%0.01520%0.202CC..EExtended strand (participates in β ladder)trans-92.8115.4-175.4-59.6172.6000109.8L473 D474 S482 G596 V643 L645 V706 I710L473-I480 HydrophobicContact CB-CD1 3.63Å; L473-I480 HydrophobicContact CD1-CD1 4.43Å; D474-I480 HydrophobicContact CB-CB 4.09Å; D474-I480 HydrophobicContact CB-CD1 3.79Å; D474-I480 HydrophobicContact CB-CG1 3.93Å; D474-I480 PolarHBondContact OD2-N 3.43Å; I480-S482 WeakPolarHBondContact CG2-O 3.15Å; I480-G596 WeakPolarHBondContact CG2-O 3.24Å; I480-V643 HydrophobicContact CD1-CG1 4.21Å; I480-V643 HydrophobicContact CG1-CB 4.49Å; I480-V643 HydrophobicContact CG2-CB 4.01Å; I480-V643 HydrophobicContact CG2-CG1 4.12Å; I480-L645 HydrophobicContact CG1-CD1 3.71Å; I480-V706 HydrophobicContact CD1-CG1 4.06Å; I480-I710 HydrophobicContact CD1-CD1 3.99Å; I480-I710 HydrophobicContact CG1-CD1 4.12Å
481V94.9Very high96.9Very high43 Ų4334 Ų3426%0.26120%0.202SC..EExtended strand (participates in β ladder)trans-71-52.6172.5178.70000109.8Q595 G596 L644 K646V481-Q595 PolarHBondContact O-OE1 3.44Å; V481-G596 PolarHBondContact O-N 3.08Å; V481-L644 HydrophobicContact CB-CB 4.21Å; V481-L644 HydrophobicContact CB-CD2 4.04Å; V481-L644 HydrophobicContact CB-CG 4.33Å; V481-L644 HydrophobicContact CG1-CD2 4.14Å; V481-L644 HydrophobicContact CG2-CD2 4.35Å; V481-L644 PolarHBondContact N-O 3.27Å; V481-K646 HydrophobicContact CG2-CD 4.03Å; V481-K646 VanDerWaalsContact CG2-CE 3.41Å; V481-K646 HydrophobicContact CG2-CG 4.08Å
482S95.8Very high97Very high33 Ų3336 Ų3623%0.23120%0.201CC..EExtended strand (participates in β ladder)trans-149.8154.9-177.462.80000111.5I480 Q594 G596 V643 L644I480-S482 WeakPolarHBondContact CG2-O 3.15Å; S482-Q594 WeakPolarHBondContact CA-O 3.37Å; S482-Q594 WeakPolarHBondContact CB-O 3.48Å; S482-G596 CarbonylContact C-O 3.57Å; S482-V643 WeakPolarHBondContact O-CA 3.32Å; S482-L644 PolarHBondContact O-N 3.16Å
483T98.1Very high96.8Very high0 Ų040.5 Ų40.50%023%0.225CC..EExtended strand (participates in β ladder)trans-118.5136.9175.9-57.40000109.3M593 Q594 G596 G597 L599 V602 V643T483-M593 WeakPolarHBondContact O-CA 3.3Å; T483-Q594 PolarHBondContact N-O 3.24Å; T483-Q594 PolarHBondContact O-N 3.42Å; T483-G596 WeakPolarHBondContact CB-O 3.42Å; T483-G596 PolarHBondContact N-O 2.91Å; T483-G596 PolarHBondContact OG1-O 2.79Å; T483-G597 WeakPolarHBondContact OG1-CA 3.28Å; T483-L599 HydrophobicContact CG2-CB 4.16Å; T483-L599 HydrophobicContact CG2-CD1 3.81Å; T483-V602 HydrophobicContact CG2-CB 4.34Å; T483-V602 HydrophobicContact CG2-CG2 4.15Å; T483-V643 HydrophobicContact CG2-CG1 4.05Å
484R98Very high96.8Very high50 Ų5040.9 Ų40.919%0.18923%0.225CC..EExtended strand (participates in β ladder)trans-143132.1-176.4178-177.2-172.9-86.31.8110.9R486 I591 S592 M593 S642R484-R486 VanDerWaalsContact NH1-CG 3.28Å; R484-I591 HydrophobicContact CG-CG2 4.1Å; R484-S592 CarbonylContact C-O 3.38Å; R484-S592 WeakPolarHBondContact CA-O 3.06Å; R484-M593 HydrophobicContact CB-CB 4.03Å; R484-M593 HydrophobicContact CB-CE 4.22Å; R484-M593 HydrophobicContact CG-CB 4.12Å; R484-M593 HydrophobicContact CG-CE 3.69Å; R484-S642 PolarHBondContact N-O 3.19Å; R484-S642 PolarHBondContact O-N 3.45Å; R484-S642 PolarHBondContact O-OG 3.28Å; R484-S642 VanDerWaalsContact O-OG 3.05Å
485V98.5Very high96.9Very high0 Ų041.4 Ų41.40%023%0.228CC..EExtended strand (participates in β ladder)trans-126.9132.3170.3-168.80000108.7S592 L599 V602 L606 M639 R640 A641V485-S592 PolarHBondContact N-O 3.34Å; V485-S592 PolarHBondContact O-N 3.37Å; V485-L599 HydrophobicContact CG2-CD1 3.61Å; V485-V602 HydrophobicContact CB-CG1 4.16Å; V485-V602 HydrophobicContact CG2-CG1 3.8Å; V485-L606 HydrophobicContact CB-CD2 3.76Å; V485-L606 HydrophobicContact CG1-CD2 3.38Å; V485-M639 HydrophobicContact CG1-CE 4.29Å; V485-M639 HydrophobicContact CG1-CG 3.78Å; V485-M639 HydrophobicContact CG1-SD 3.91Å; V485-R640 WeakPolarHBondContact CA-O 3.42Å; V485-A641 HydrophobicContact CG1-CB 4.1Å; V485-A641 HydrophobicContact CG2-CB 4Å
486R98.1Very high97.1Very high20 Ų2036.4 Ų36.48%0.07520%0.196CC..EExtended strand (participates in β ladder)trans-131157.6175.671.877.8170.4164.5-2.9112.8R484 I590 I591 N634 S638 M639 R640R484-R486 VanDerWaalsContact NH1-CG 3.28Å; R486-I590 CarbonylContact C-O 3.51Å; R486-I590 WeakPolarHBondContact CA-O 3.45Å; R486-I590 WeakPolarHBondContact CB-O 3.37Å; R486-I591 HydrophobicContact CB-CB 4.44Å; R486-I591 HydrophobicContact CB-CG1 3.9Å; R486-N634 PolarHBondContact NH1-OD1 2.75Å; R486-N634 PolarHBondContact NH2-OD1 2.8Å; R486-S638 PolarHBondContact NH1-O 2.96Å; R486-M639 CarbonylContact O-C 3.54Å; R486-M639 WeakPolarHBondContact O-CA 3.47Å; R486-R640 HydrophobicContact CG-CB 4.1Å; R486-R640 PolarHBondContact N-O 2.78Å; R486-R640 PolarHBondContact O-N 3.1Å
487V98.7Very high97.4Very high0 Ų032.3 Ų32.30%017%0.171CC..EExtended strand (participates in β ladder)trans-130.6151.6165.2-64.50000111.4R489 R589 I590 L606 I610 S638 M639V487-R489 HydrophobicContact CG2-CG 4.35Å; V487-R589 WeakPolarHBondContact O-CA 3.21Å; V487-I590 HydrophobicContact CG2-CB 3.93Å; V487-I590 HydrophobicContact CG2-CD1 4.32Å; V487-I590 HydrophobicContact CG2-CG1 4.46Å; V487-I590 PolarHBondContact N-O 2.64Å; V487-I590 PolarHBondContact O-N 3.36Å; V487-L606 HydrophobicContact CG1-CD2 4.43Å; V487-I610 HydrophobicContact CB-CD1 4.48Å; V487-I610 HydrophobicContact CG1-CD1 4.15Å; V487-I610 HydrophobicContact CG2-CD1 3.51Å; V487-I610 HydrophobicContact CG2-CG1 3.93Å; V487-S638 WeakPolarHBondContact CA-O 3.4Å; V487-M639 HydrophobicContact CG1-CB 4Å; V487-M639 HydrophobicContact CG1-CE 4.1Å; V487-M639 HydrophobicContact CG1-CG 4.34Å
488G98.5Very high97.7Very high0 Ų030.1 Ų30.10%015%0.148CC..EExtended strand (participates in β ladder)trans-92.9142.9161.300000110.4M588 S638G488-M588 WeakPolarHBondContact CA-O 3.34Å; G488-S638 WeakPolarHBondContact CA-OG 3.31Å; G488-S638 PolarHBondContact N-OG 3.15Å; G488-S638 WeakPolarHBondContact O-CB 3.35Å; G488-S638 PolarHBondContact O-OG 3.15Å
489R98.8Very high97.9Very high0 Ų023 Ų230%012%0.117CC..EExtended strand (participates in β ladder)trans-139.3136.1172.6-68.3-64.3179.7-99.96110.3V487 M588 I590 F619 Y627 T637V487-R489 HydrophobicContact CG2-CG 4.35Å; R489-M588 HydrophobicContact CB-CB 4.47Å; R489-M588 HydrophobicContact CB-CE 3.96Å; R489-M588 PolarHBondContact N-O 3.03Å; R489-M588 PolarHBondContact O-N 2.92Å; R489-I590 HydrophobicContact CG-CD1 4.12Å; R489-F619 HydrophobicContact CB-CD1 3.94Å; R489-F619 HydrophobicContact CB-CE1 4.14Å; R489-F619 HydrophobicContact CB-CG 4.33Å; R489-F619 HydrophobicContact CG-CD1 4.21Å; R489-F619 HydrophobicContact CG-CD2 4.28Å; R489-F619 HydrophobicContact CG-CE1 4.27Å; R489-F619 HydrophobicContact CG-CE2 4.33Å; R489-F619 HydrophobicContact CG-CG 4.23Å; R489-F619 HydrophobicContact CG-CZ 4.32Å; R489-Y627 VanDerWaalsContact CZ-CE2 3.49Å; R489-Y627 VanDerWaalsContact CZ-CG 3.5Å; R489-Y627 VanDerWaalsContact NH2-CD2 3.28Å; R489-T637 PolarHBondContact NH1-O 3.06Å
490S98.8Very high98Very high1 Ų121.8 Ų21.81%0.00711%0.111CC..PPolyproline II helixtrans-104133.9167.8-64.90000109.8F496 F619 A620 I628S490-F496 VanDerWaalsContact OG-CE1 3.26Å; S490-F496 WeakPolarHBondContact OG-CE1 3.42Å; S490-F619 CarbonylContact O-C 3.54Å; S490-F619 VanDerWaalsContact O-CA 3.29Å; S490-F619 WeakPolarHBondContact O-CA 3.47Å; S490-A620 PolarHBondContact O-N 2.84Å; S490-I628 WeakPolarHBondContact CB-O 3.28Å; S490-I628 PolarHBondContact OG-O 3.37Å
491V98.7Very high98Very high10 Ų1022.1 Ų22.16%0.06111%0.114CC..BIsolated β-bridgetrans-74.9136.6167.8-172.20000109.9F494 L508 I512 H587 M588 M617V491-F494 HydrophobicContact CB-CD2 4.19Å; V491-F494 HydrophobicContact CG1-CD2 3.96Å; V491-F494 HydrophobicContact CG1-CE2 4.22Å; V491-L508 HydrophobicContact CB-CD1 3.94Å; V491-L508 HydrophobicContact CG2-CD1 3.79Å; V491-I512 HydrophobicContact CG2-CD1 4.3Å; V491-I512 HydrophobicContact CG2-CG1 4.3Å; V491-H587 HydrophobicContact CG2-CB 4.28Å; V491-H587 PolarHBondContact N-ND1 2.89Å; V491-H587 PolarHBondContact O-ND1 2.94Å; V491-M588 HydrophobicContact CG2-CE 3.68Å; V491-M617 HydrophobicContact CG1-CB 4.19Å; V491-M617 HydrophobicContact CG2-CG 4.46Å; V491-M617 HydrophobicContact CG2-SD 3.61Å
492E98Very high98.2Very high78 Ų7824.9 Ų24.936%0.36412%0.123SC..THydrogen-bonded Turntrans-56.9154.8172.9-70-177.7170.300111.9F494 K618 A620E492-F494 VanDerWaalsContact O-CD2 3.32Å; E492-F494 WeakPolarHBondContact O-CD2 3.34Å; E492-F494 PolarHBondContact O-N 3.05Å; E492-F494 VanDerWaalsContact O-N 3.16Å; E492-K618 HydrophobicContact CB-CB 4.46Å; E492-K618 HydrophobicContact CG-CB 4.03Å; E492-K618 PolarHBondContact N-O 2.9Å; E492-K618 VanDerWaalsContact N-O 3.1Å; E492-K618 VanDerWaalsContact OE2-CB 3.25Å; E492-K618 WeakPolarHBondContact OE2-CB 3.42Å; E492-K618 WeakPolarHBondContact OE2-CD 3.46Å; E492-A620 HydrophobicContact CG-CB 4.42Å
493D93.2Very high98.3Very high161 Ų16127.1 Ų27.186%0.86114%0.135SC*.THydrogen-bonded Turntrans63.512.5176.1-51.7-36.5000116.9
494F98.7Very high98.3Very high39 Ų3929 Ų2917%0.17115%0.145CC..  trans-116.5135.3172.4-73.7-87.7000111.8V491 E492 D504 K507 L508 H587V491-F494 HydrophobicContact CB-CD2 4.19Å; V491-F494 HydrophobicContact CG1-CD2 3.96Å; V491-F494 HydrophobicContact CG1-CE2 4.22Å; E492-F494 VanDerWaalsContact O-CD2 3.32Å; E492-F494 WeakPolarHBondContact O-CD2 3.34Å; E492-F494 PolarHBondContact O-N 3.05Å; E492-F494 VanDerWaalsContact O-N 3.16Å; F494-D504 HydrophobicContact CD1-CB 4.42Å; F494-K507 HydrophobicContact CE1-CB 3.89Å; F494-K507 HydrophobicContact CZ-CB 4.19Å; F494-L508 HydrophobicContact CB-CD1 4.37Å; F494-L508 HydrophobicContact CD1-CB 3.88Å; F494-L508 HydrophobicContact CD1-CD1 4.21Å; F494-L508 HydrophobicContact CD2-CD1 3.85Å; F494-L508 HydrophobicContact CE1-CB 3.8Å; F494-L508 HydrophobicContact CE1-CD1 4.47Å; F494-L508 HydrophobicContact CE2-CD1 4.14Å; F494-L508 HydrophobicContact CG-CB 4.42Å; F494-L508 HydrophobicContact CG-CD1 3.89Å; F494-L508 HydrophobicContact CZ-CB 4.29Å; F494-L508 HydrophobicContact CZ-CD1 4.44Å; F494-H587 WeakPolarHBondContact CB-CE1 3.23Å; F494-H587 PolarHBondContact O-CE1 3.44Å
495L98.8Very high98.4Very high15 Ų1526.6 Ų26.68%0.07914%0.136CC..  trans-59.9148.7162.8-69.7178.2000110.1V363 H405 E429 I499 M500 H587V363-L495 HydrophobicContact CG2-CD1 3.71Å; H405-L495 HydrophobicContact CB-CD2 3.68Å; H405-L495 HydrophobicContact CB-CG 4.36Å; E429-L495 HydrophobicContact CB-CD2 3.8Å; E429-L495 HydrophobicContact CG-CD2 4.21Å; L495-I499 HydrophobicContact CB-CG1 4.39Å; L495-I499 HydrophobicContact CD1-CD1 4.47Å; L495-I499 HydrophobicContact CD1-CG1 4.33Å; L495-I499 HydrophobicContact CD2-CD1 4.06Å; L495-I499 HydrophobicContact CD2-CG1 4.35Å; L495-M500 HydrophobicContact CB-CB 3.63Å; L495-M500 WeakPolarHBondContact O-CB 3.42Å; L495-H587 PolarHBondContact O-NE2 3.49Å
496F98.9Very high98.4Very high1 Ų129.8 Ų29.80%0.00415%0.152CC..  trans-73160.9-179.6-66.7-11.3000113T427 G428 E429 A430 S490 T498 I499 M500 H587 I628 T629 C630T427-F496 WeakPolarHBondContact OG1-CD2 3.41Å; T427-F496 VanDerWaalsContact OG1-CE2 3.28Å; T427-F496 WeakPolarHBondContact OG1-CE2 3.47Å; G428-F496 WeakPolarHBondContact O-CB 3.2Å; G428-F496 PolarHBondContact O-N 3.01Å; E429-F496 VanDerWaalsContact C-CE2 3.42Å; A430-F496 HydrophobicContact CB-CZ 4.17Å; S490-F496 VanDerWaalsContact OG-CE1 3.26Å; S490-F496 WeakPolarHBondContact OG-CE1 3.42Å; F496-T498 PolarHBondContact O-N 3.31Å; F496-I499 PolarHBondContact O-N 3.03Å; F496-I499 VanDerWaalsContact O-N 3.12Å; F496-M500 WeakPolarHBondContact O-CB 3.42Å; F496-M500 WeakPolarHBondContact O-CG 3.33Å; F496-M500 PolarHBondContact O-N 3.06Å; F496-H587 AromaticContact CD1-CE1 3.83Å; F496-H587 AromaticContact CD1-NE2 3.7Å; F496-I628 HydrophobicContact CE2-CG2 4.44Å; F496-I628 HydrophobicContact CZ-CG2 3.96Å; F496-T629 WeakPolarHBondContact CE2-O 3.21Å; F496-C630 HydrophobicContact CD2-CB 3.96Å; F496-C630 HydrophobicContact CG-CB 4.47Å
497P98.8Very high98.4Very high0 Ų034.1 Ų34.10%017%0.171CC..THydrogen-bonded Turntrans-56.7-16.7-177.2-28.138.1000115.1M500 R505 G560 E584 E585P497-M500 HydrophobicContact CB-SD 4.48Å; P497-M500 HydrophobicContact CG-SD 4.46Å; P497-R505 PolarHBondContact O-NH1 3.41Å; P497-R505 PolarHBondContact O-NH2 3.11Å; P497-G560 WeakPolarHBondContact O-CA 3.19Å; P497-E584 VanDerWaalsContact CB-O 3.3Å; P497-E584 WeakPolarHBondContact CB-O 3.36Å; P497-E585 WeakPolarHBondContact CD-O 3.46Å; P497-E585 WeakPolarHBondContact CG-O 3.27Å
498T98.9Very high98.4Very high2 Ų234.1 Ų34.11%0.01217%0.171CC..THydrogen-bonded Turntrans-60.3-59.5172.347.40000111.6R426 T427 F496 A558 G559 R562 C630R426-T498 HydrophobicContact CB-CG2 3.86Å; T427-T498 PolarHBondContact O-OG1 2.95Å; F496-T498 PolarHBondContact O-N 3.31Å; T498-A558 VanDerWaalsContact CA-O 3.32Å; T498-A558 WeakPolarHBondContact CA-O 3.49Å; T498-A558 WeakPolarHBondContact CB-O 3.2Å; T498-A558 HydrophobicContact CG2-CB 3.98Å; T498-A558 WeakPolarHBondContact CG2-O 3.33Å; T498-G559 CarbonylContact O-C 3.59Å; T498-G559 VanDerWaalsContact O-C 3.27Å; T498-G559 VanDerWaalsContact O-CA 3.29Å; T498-G559 WeakPolarHBondContact O-CA 3.45Å; T498-G559 VanDerWaalsContact O-O 3.13Å; T498-R562 PolarHBondContact O-NE 3.33Å; T498-R562 PolarHBondContact O-NH2 3.05Å; T498-C630 WeakPolarHBondContact CG2-SG 3.38Å
499I98.8Very high98.4Very high1 Ų135.4 Ų35.41%0.00518%0.177CC..THydrogen-bonded Turntrans-115-10.7-167.871.3168.6000114.7V363 M364 A407 H411 L495 F496 R562V363-I499 VanDerWaalsContact CA-O 3.31Å; V363-I499 WeakPolarHBondContact CA-O 3.31Å; V363-I499 HydrophobicContact CG1-CB 4.07Å; V363-I499 HydrophobicContact CG1-CD1 4.19Å; V363-I499 HydrophobicContact CG1-CG1 4.38Å; M364-I499 HydrophobicContact CB-CB 4.29Å; M364-I499 HydrophobicContact CB-CG2 4.26Å; M364-I499 PolarHBondContact N-O 2.96Å; A407-I499 HydrophobicContact CB-CD1 3.53Å; H411-I499 HydrophobicContact CB-CG2 4.14Å; L495-I499 HydrophobicContact CB-CG1 4.39Å; L495-I499 HydrophobicContact CD1-CD1 4.47Å; L495-I499 HydrophobicContact CD1-CG1 4.33Å; L495-I499 HydrophobicContact CD2-CD1 4.06Å; L495-I499 HydrophobicContact CD2-CG1 4.35Å; F496-I499 PolarHBondContact O-N 3.03Å; F496-I499 VanDerWaalsContact O-N 3.12Å; I499-R562 PolarHBondContact O-NH2 3.38Å; I499-R562 VanDerWaalsContact O-NH2 3.14Å
500M98.7Very high98.4Very high0 Ų041.4 Ų41.40%021%0.206CC..  trans-57.5148.1-177.672.9-174-51.800114.1L495 F496 P497 D504 R505 L508 R562L495-M500 HydrophobicContact CB-CB 3.63Å; L495-M500 WeakPolarHBondContact O-CB 3.42Å; F496-M500 WeakPolarHBondContact O-CB 3.42Å; F496-M500 WeakPolarHBondContact O-CG 3.33Å; F496-M500 PolarHBondContact O-N 3.06Å; P497-M500 HydrophobicContact CB-SD 4.48Å; P497-M500 HydrophobicContact CG-SD 4.46Å; M500-D504 HydrophobicContact CB-CB 4.05Å; M500-D504 VanDerWaalsContact CE-C 3.48Å; M500-D504 HydrophobicContact CE-CB 3.55Å; M500-R505 HydrophobicContact CE-CB 4.44Å; M500-R505 HydrophobicContact CE-CG 3.88Å; M500-R505 HydrophobicContact CG-CG 3.76Å; M500-R505 HydrophobicContact SD-CG 3.64Å; M500-L508 HydrophobicContact CE-CB 4.19Å; M500-L508 HydrophobicContact CE-CD2 3.74Å; M500-L508 HydrophobicContact SD-CD2 4.31Å; M500-R562 PolarHBondContact O-NH1 2.89Å; M500-R562 PolarHBondContact O-NH2 2.9Å
501S98.7Very high98.3Very high11 Ų1144.1 Ų44.18%0.07722%0.222CC..  trans-74.1163.6179.573.50000112.4G362 T503 D504 R505G362-S501 WeakPolarHBondContact O-CA 3.29Å; S501-T503 PolarHBondContact O-N 2.71Å; S501-T503 PolarHBondContact OG-N 3.06Å; S501-D504 WeakPolarHBondContact CB-OD2 3.44Å; S501-D504 PolarHBondContact N-OD2 2.83Å; S501-D504 WeakPolarHBondContact O-CB 3.42Å; S501-D504 PolarHBondContact O-N 3.22Å; S501-D504 VanDerWaalsContact O-N 3.15Å; S501-D504 PolarHBondContact OG-N 2.96Å; S501-D504 VanDerWaalsContact OG-N 3.09Å; S501-D504 PolarHBondContact OG-OD1 3.41Å; S501-D504 PolarHBondContact OG-OD2 2.92Å; S501-R505 WeakPolarHBondContact O-CG 3.43Å; S501-R505 PolarHBondContact O-N 2.67Å
502K98.5Very high98.3Very high101 Ų10143.6 Ų43.644%0.43922%0.219SC..Hα-helixtrans-53.3-41169.8-175.8175.6171.71700112.3R505 I506 D563 V566K502-R505 WeakPolarHBondContact O-CB 3.26Å; K502-R505 PolarHBondContact O-N 3.04Å; K502-I506 HydrophobicContact CG-CD1 4.37Å; K502-I506 WeakPolarHBondContact O-CG1 3.23Å; K502-I506 PolarHBondContact O-N 2.86Å; K502-I506 VanDerWaalsContact O-N 3.15Å; K502-D563 HydrophobicContact CB-CB 4.14Å; K502-D563 HydrophobicContact CD-CB 4.35Å; K502-D563 HydrophobicContact CG-CB 4.15Å; K502-V566 HydrophobicContact CG-CB 4.45Å; K502-V566 HydrophobicContact CG-CG1 3.96Å
503T98.4Very high98.4Very high80 Ų8040.5 Ų40.549%0.49121%0.206SC..Hα-helixtrans-65.6-39.5178.9-57.40000111.5S501 R505 I506 K507S501-T503 PolarHBondContact O-N 2.71Å; S501-T503 PolarHBondContact OG-N 3.06Å; T503-R505 VanDerWaalsContact C-N 3.31Å; T503-R505 PolarHBondContact O-N 3.25Å; T503-I506 PolarHBondContact O-N 3.39Å; T503-K507 HydrophobicContact CG2-CD 4.38Å; T503-K507 WeakPolarHBondContact O-CG 3.12Å; T503-K507 PolarHBondContact O-N 3.19Å; T503-K507 VanDerWaalsContact O-N 3.09Å
504D98.5Very high98.6Very high39 Ų3935 Ų3521%0.20919%0.187CC..Hα-helixtrans-63.3-40175.2-58.3-35.1000110.7F494 M500 S501 I506 K507 L508F494-D504 HydrophobicContact CD1-CB 4.42Å; M500-D504 HydrophobicContact CB-CB 4.05Å; M500-D504 VanDerWaalsContact CE-C 3.48Å; M500-D504 HydrophobicContact CE-CB 3.55Å; S501-D504 WeakPolarHBondContact CB-OD2 3.44Å; S501-D504 PolarHBondContact N-OD2 2.83Å; S501-D504 WeakPolarHBondContact O-CB 3.42Å; S501-D504 PolarHBondContact O-N 3.22Å; S501-D504 VanDerWaalsContact O-N 3.15Å; S501-D504 PolarHBondContact OG-N 2.96Å; S501-D504 VanDerWaalsContact OG-N 3.09Å; S501-D504 PolarHBondContact OG-OD1 3.41Å; S501-D504 PolarHBondContact OG-OD2 2.92Å; D504-I506 PolarHBondContact O-N 3.19Å; D504-K507 PolarHBondContact O-N 3.33Å; D504-L508 WeakPolarHBondContact O-CB 3.34Å; D504-L508 PolarHBondContact O-N 3.37Å
505R98.7Very high98.6Very high0 Ų033.6 Ų33.60%018%0.183CC..Hα-helixtrans-62-43.6177.9-66.7-173.3-166.4-781.8112.2P497 M500 S501 K502 T503 L508 E509 V566 R568 C583P497-R505 PolarHBondContact O-NH1 3.41Å; P497-R505 PolarHBondContact O-NH2 3.11Å; M500-R505 HydrophobicContact CE-CB 4.44Å; M500-R505 HydrophobicContact CE-CG 3.88Å; M500-R505 HydrophobicContact CG-CG 3.76Å; M500-R505 HydrophobicContact SD-CG 3.64Å; S501-R505 WeakPolarHBondContact O-CG 3.43Å; S501-R505 PolarHBondContact O-N 2.67Å; K502-R505 WeakPolarHBondContact O-CB 3.26Å; K502-R505 PolarHBondContact O-N 3.04Å; T503-R505 VanDerWaalsContact C-N 3.31Å; T503-R505 PolarHBondContact O-N 3.25Å; R505-L508 PolarHBondContact O-N 3.08Å; R505-E509 VanDerWaalsContact O-CB 3.3Å; R505-E509 WeakPolarHBondContact O-CB 3.41Å; R505-E509 PolarHBondContact O-N 2.96Å; R505-V566 VanDerWaalsContact CD-O 3.3Å; R505-V566 WeakPolarHBondContact CD-O 3.47Å; R505-R568 VanDerWaalsContact NH1-CZ 3.29Å; R505-R568 VanDerWaalsContact NH1-NH2 3.1Å; R505-C583 PolarHBondContact NH1-SG 2.93Å
506I98.6Very high98.6Very high66 Ų6632.9 Ų32.934%0.33818%0.179SC..Hα-helixtrans-62.3-47.8177.7-66165.7000110.3K502 T503 D504 E509 Q510 V566K502-I506 HydrophobicContact CG-CD1 4.37Å; K502-I506 WeakPolarHBondContact O-CG1 3.23Å; K502-I506 PolarHBondContact O-N 2.86Å; K502-I506 VanDerWaalsContact O-N 3.15Å; T503-I506 PolarHBondContact O-N 3.39Å; D504-I506 PolarHBondContact O-N 3.19Å; I506-E509 PolarHBondContact O-N 3.25Å; I506-Q510 VanDerWaalsContact O-CG 3.31Å; I506-Q510 WeakPolarHBondContact O-CG 3.35Å; I506-Q510 PolarHBondContact O-N 3.25Å; I506-V566 HydrophobicContact CD1-CG1 4.1Å; I506-V566 HydrophobicContact CG1-CG1 3.63Å
507K98.5Very high98.6Very high111 Ų11139.5 Ų39.548%0.48321%0.208SC..Hα-helixtrans-64.1-44.1179-71.5175.8-179.1175.90111.9F494 T503 D504 Q510 V511F494-K507 HydrophobicContact CE1-CB 3.89Å; F494-K507 HydrophobicContact CZ-CB 4.19Å; T503-K507 HydrophobicContact CG2-CD 4.38Å; T503-K507 WeakPolarHBondContact O-CG 3.12Å; T503-K507 PolarHBondContact O-N 3.19Å; T503-K507 VanDerWaalsContact O-N 3.09Å; D504-K507 PolarHBondContact O-N 3.33Å; K507-Q510 PolarHBondContact O-N 2.95Å; K507-V511 WeakPolarHBondContact O-CG2 3.34Å; K507-V511 PolarHBondContact O-N 3.43Å; K507-V511 VanDerWaalsContact O-N 3.15Å
508L98.7Very high98.5Very high0 Ų042 Ų420%023%0.234CC..Hα-helixtrans-62-45.1178-179.666000111.3V491 F494 M500 D504 R505 Q510 V511 I512 C583 H587V491-L508 HydrophobicContact CB-CD1 3.94Å; V491-L508 HydrophobicContact CG2-CD1 3.79Å; F494-L508 HydrophobicContact CB-CD1 4.37Å; F494-L508 HydrophobicContact CD1-CB 3.88Å; F494-L508 HydrophobicContact CD1-CD1 4.21Å; F494-L508 HydrophobicContact CD2-CD1 3.85Å; F494-L508 HydrophobicContact CE1-CB 3.8Å; F494-L508 HydrophobicContact CE1-CD1 4.47Å; F494-L508 HydrophobicContact CE2-CD1 4.14Å; F494-L508 HydrophobicContact CG-CB 4.42Å; F494-L508 HydrophobicContact CG-CD1 3.89Å; F494-L508 HydrophobicContact CZ-CB 4.29Å; F494-L508 HydrophobicContact CZ-CD1 4.44Å; M500-L508 HydrophobicContact CE-CB 4.19Å; M500-L508 HydrophobicContact CE-CD2 3.74Å; M500-L508 HydrophobicContact SD-CD2 4.31Å; D504-L508 WeakPolarHBondContact O-CB 3.34Å; D504-L508 PolarHBondContact O-N 3.37Å; R505-L508 PolarHBondContact O-N 3.08Å; L508-Q510 VanDerWaalsContact C-N 3.33Å; L508-Q510 PolarHBondContact O-N 3.37Å; L508-V511 PolarHBondContact O-N 3.44Å; L508-I512 HydrophobicContact CD1-CD1 3.69Å; L508-I512 HydrophobicContact CD1-CG1 4.26Å; L508-I512 HydrophobicContact CD2-CD1 4.33Å; L508-I512 HydrophobicContact CG-CD1 3.7Å; L508-I512 WeakPolarHBondContact O-CG1 3.02Å; L508-I512 PolarHBondContact O-N 3.34Å; L508-C583 HydrophobicContact CD2-CB 4.5Å; L508-H587 HydrophobicContact CD1-CB 4.26Å; L508-H587 HydrophobicContact CD2-CB 3.91Å; L508-H587 VanDerWaalsContact CD2-CD2 3.42Å; L508-H587 WeakPolarHBondContact CD2-CD2 3.32Å
509E98.6Very high98.5Very high27 Ų2742.7 Ų42.713%0.12624%0.237CC..Hα-helixtrans-60.1-42176173.8174.3-134.900111.7R505 I506 V511 I512 S513 Y527 G567R505-E509 VanDerWaalsContact O-CB 3.3Å; R505-E509 WeakPolarHBondContact O-CB 3.41Å; R505-E509 PolarHBondContact O-N 2.96Å; I506-E509 PolarHBondContact O-N 3.25Å; E509-V511 PolarHBondContact O-N 3.16Å; E509-I512 PolarHBondContact O-N 3.37Å; E509-S513 WeakPolarHBondContact O-CB 3.42Å; E509-S513 PolarHBondContact O-N 3.32Å; E509-S513 PolarHBondContact O-OG 3.21Å; E509-Y527 HydrophobicContact CG-CE1 4.29Å; E509-Y527 WeakPolarHBondContact CG-OH 3.13Å; E509-Y527 WeakPolarHBondContact OE1-CE1 3.4Å; E509-Y527 PolarHBondContact OE1-OH 3.23Å; E509-G567 WeakPolarHBondContact OE2-CA 3.18Å
510Q98.4Very high98.5Very high127 Ų12748 Ų4859%0.59327%0.27SS*.Hα-helixtrans-60.6-44.8177.6-74.4171.8-11.700111.8I506 K507 L508 G514I506-Q510 VanDerWaalsContact O-CG 3.31Å; I506-Q510 WeakPolarHBondContact O-CG 3.35Å; I506-Q510 PolarHBondContact O-N 3.25Å; K507-Q510 PolarHBondContact O-N 2.95Å; L508-Q510 VanDerWaalsContact C-N 3.33Å; L508-Q510 PolarHBondContact O-N 3.37Å; Q510-G514 PolarHBondContact O-N 2.8Å
511V98.3Very high98.4Very high57 Ų5751.1 Ų51.135%0.34530%0.302SS..Hα-helixtrans-62.3-50177.3172.90000110.9K507 L508 E509 A515 M617K507-V511 WeakPolarHBondContact O-CG2 3.34Å; K507-V511 PolarHBondContact O-N 3.43Å; K507-V511 VanDerWaalsContact O-N 3.15Å; L508-V511 PolarHBondContact O-N 3.44Å; E509-V511 PolarHBondContact O-N 3.16Å; V511-A515 PolarHBondContact O-N 2.96Å; V511-M617 HydrophobicContact CG1-CB 4.26Å; V511-M617 HydrophobicContact CG1-CE 4Å; V511-M617 HydrophobicContact CG1-SD 4.5Å
512I98.7Very high98.4Very high0 Ų055.2 Ų55.20%032%0.32CS..Hα-helixtrans-69.6-52.2-176.3-65.4168.7000111V491 L508 E509 G514 A515 L516 V582 H587 M588 M617V491-I512 HydrophobicContact CG2-CD1 4.3Å; V491-I512 HydrophobicContact CG2-CG1 4.3Å; L508-I512 HydrophobicContact CD1-CD1 3.69Å; L508-I512 HydrophobicContact CD1-CG1 4.26Å; L508-I512 HydrophobicContact CD2-CD1 4.33Å; L508-I512 HydrophobicContact CG-CD1 3.7Å; L508-I512 WeakPolarHBondContact O-CG1 3.02Å; L508-I512 PolarHBondContact O-N 3.34Å; E509-I512 PolarHBondContact O-N 3.37Å; I512-G514 VanDerWaalsContact C-N 3.26Å; I512-G514 PolarHBondContact O-N 3.45Å; I512-A515 WeakPolarHBondContact O-CB 3.41Å; I512-A515 PolarHBondContact O-N 3.11Å; I512-A515 VanDerWaalsContact O-N 3.11Å; I512-L516 HydrophobicContact CG2-CD1 3.61Å; I512-L516 HydrophobicContact CG2-CG 4.09Å; I512-L516 VanDerWaalsContact O-CG 3.28Å; I512-L516 WeakPolarHBondContact O-CG 3.26Å; I512-L516 PolarHBondContact O-N 3.36Å; I512-V582 HydrophobicContact CB-CG1 4.3Å; I512-V582 HydrophobicContact CD1-CG1 3.99Å; I512-V582 HydrophobicContact CG2-CG1 4.12Å; I512-V582 HydrophobicContact CG2-CG2 3.68Å; I512-H587 HydrophobicContact CD1-CB 4.31Å; I512-M588 HydrophobicContact CD1-CG 3.69Å; I512-M588 HydrophobicContact CD1-SD 4.14Å; I512-M588 HydrophobicContact CG1-CG 4.18Å; I512-M588 HydrophobicContact CG1-SD 3.99Å; I512-M588 HydrophobicContact CG2-CG 3.98Å; I512-M588 HydrophobicContact CG2-SD 3.93Å; I512-M617 HydrophobicContact CG1-CE 4.22Å; I512-M617 HydrophobicContact CG1-SD 4.16Å
513S98.2Very high98.4Very high12 Ų1251.2 Ų51.28%0.08430%0.303CS..Hα-helixtrans-63.7-31.9-177.968.40000112.5E509 L516 K517E509-S513 WeakPolarHBondContact O-CB 3.42Å; E509-S513 PolarHBondContact O-N 3.32Å; E509-S513 PolarHBondContact O-OG 3.21Å; S513-L516 PolarHBondContact O-N 3.26Å; S513-K517 WeakPolarHBondContact O-CB 3.13Å; S513-K517 WeakPolarHBondContact O-CG 3.47Å; S513-K517 PolarHBondContact O-N 3.4Å
514G98.2Very high98.4Very high46 Ų4649 Ų4947%0.47429%0.293SS..Hα-helixtrans-60.2-46.6171.700000112.3Q510 I512 G518Q510-G514 PolarHBondContact O-N 2.8Å; I512-G514 VanDerWaalsContact C-N 3.26Å; I512-G514 PolarHBondContact O-N 3.45Å; G514-G518 PolarHBondContact O-N 2.94Å
515A98.5Very high98.4Very high9 Ų948.3 Ų48.37%0.07430%0.295CS..Hα-helixtrans-64.3-42.9175.500000112.2V511 I512 G518 M617V511-A515 PolarHBondContact O-N 2.96Å; I512-A515 WeakPolarHBondContact O-CB 3.41Å; I512-A515 PolarHBondContact O-N 3.11Å; I512-A515 VanDerWaalsContact O-N 3.11Å; A515-G518 PolarHBondContact O-N 2.99Å; A515-M617 HydrophobicContact CB-CE 3.62Å
516L98.7Very high98.3Very high0 Ų051.3 Ų51.30%031%0.314CS..Hα-helixtrans-65.7-42.1-178.6-64.9175000112.6I512 S513 G518 L519 Y527 F571 V580 V582 I613I512-L516 HydrophobicContact CG2-CD1 3.61Å; I512-L516 HydrophobicContact CG2-CG 4.09Å; I512-L516 VanDerWaalsContact O-CG 3.28Å; I512-L516 WeakPolarHBondContact O-CG 3.26Å; I512-L516 PolarHBondContact O-N 3.36Å; S513-L516 PolarHBondContact O-N 3.26Å; L516-G518 PolarHBondContact O-N 3.26Å; L516-L519 HydrophobicContact CD2-CD1 3.93Å; L516-L519 WeakPolarHBondContact O-CB 3.49Å; L516-L519 WeakPolarHBondContact O-CG 3.49Å; L516-L519 PolarHBondContact O-N 2.76Å; L516-L519 VanDerWaalsContact O-N 3.14Å; L516-Y527 HydrophobicContact CD1-CD2 4.29Å; L516-F571 HydrophobicContact CB-CB 4.42Å; L516-F571 HydrophobicContact CB-CD2 3.8Å; L516-F571 HydrophobicContact CB-CE2 4.15Å; L516-F571 HydrophobicContact CB-CG 4.06Å; L516-F571 HydrophobicContact CD1-CB 3.75Å; L516-F571 HydrophobicContact CD1-CG 4.24Å; L516-F571 HydrophobicContact CD2-CD1 4.31Å; L516-F571 HydrophobicContact CD2-CG 4.35Å; L516-F571 HydrophobicContact CG-CB 4.47Å; L516-F571 HydrophobicContact CG-CG 4.44Å; L516-F571 VanDerWaalsContact O-CE2 3.32Å; L516-F571 WeakPolarHBondContact O-CE2 3.49Å; L516-V580 HydrophobicContact CD1-CB 4.13Å; L516-V580 HydrophobicContact CD1-CG1 4.15Å; L516-V580 HydrophobicContact CD2-CB 4.08Å; L516-V580 HydrophobicContact CD2-CG1 4.31Å; L516-V580 HydrophobicContact CD2-CG2 3.7Å; L516-V582 HydrophobicContact CD1-CG2 3.94Å; L516-I613 HydrophobicContact CD2-CD1 3.67Å; L516-I613 HydrophobicContact CD2-CG1 3.93Å
517K98.3Very high98.2Very high140 Ų14049.2 Ų49.261%0.60930%0.302SS*.Hα-helixtrans-64.4-22.3176-72.5168.7-177173.10113S513S513-K517 WeakPolarHBondContact O-CB 3.13Å; S513-K517 WeakPolarHBondContact O-CG 3.47Å; S513-K517 PolarHBondContact O-N 3.4Å
518G97.7Very high98.1Very high54 Ų5446.1 Ų46.156%0.55729%0.287SS*.THydrogen-bonded Turntrans-87.1-1.3176.200000114.9G514 A515 L516G514-G518 PolarHBondContact O-N 2.94Å; A515-G518 PolarHBondContact O-N 2.99Å; L516-G518 PolarHBondContact O-N 3.26Å
519L98.5Very high98Very high15 Ų1547.9 Ų47.98%0.07930%0.299CS..  trans-66.7141.4177.4-67.1175.6000111.1L516 H523 A524 F571 F578 A612 I613L516-L519 HydrophobicContact CD2-CD1 3.93Å; L516-L519 WeakPolarHBondContact O-CB 3.49Å; L516-L519 WeakPolarHBondContact O-CG 3.49Å; L516-L519 PolarHBondContact O-N 2.76Å; L516-L519 VanDerWaalsContact O-N 3.14Å; L519-H523 HydrophobicContact CB-CB 4.02Å; L519-H523 WeakPolarHBondContact CB-O 3.48Å; L519-H523 HydrophobicContact CD1-CB 4.29Å; L519-A524 WeakPolarHBondContact O-CA 3.09Å; L519-F571 HydrophobicContact CB-CZ 4.34Å; L519-F571 HydrophobicContact CD1-CD1 4.47Å; L519-F571 HydrophobicContact CD1-CE1 3.69Å; L519-F571 HydrophobicContact CD1-CZ 3.83Å; L519-F578 HydrophobicContact CD1-CE1 3.96Å; L519-A612 HydrophobicContact CD2-CB 3.49Å; L519-A612 VanDerWaalsContact CD2-CB 3.49Å; L519-I613 HydrophobicContact CD1-CG1 4.41Å; L519-I613 HydrophobicContact CD2-CG1 4.32Å
520T98.4Very high97.9Very high113 Ų11347.7 Ų47.769%0.69330%0.299SS*.  trans-124.4172.2-175.262.60000111.6E522 H523 A524T520-E522 PolarHBondContact O-N 3.43Å; T520-H523 PolarHBondContact O-N 3.08Å; T520-A524 PolarHBondContact O-N 3.38Å
521G98Very high97.6Very high66 Ų6644.7 Ų44.768%0.6829%0.289SS*.G310 helixtrans62.9-134.5176.600000112.9H523 A524G521-H523 PolarHBondContact O-N 2.97Å; G521-A524 WeakPolarHBondContact O-CB 3.46Å; G521-A524 PolarHBondContact O-N 3.12Å
522E98.3Very high97.1Very high97 Ų9748.3 Ų48.345%0.45331%0.306SS..G310 helixtrans-60.7-23.8178.3-169.5-179.4-171.200112.5T520 N573 R605T520-E522 PolarHBondContact O-N 3.43Å; E522-N573 WeakPolarHBondContact O-CB 3.18Å; E522-N573 PolarHBondContact O-ND2 3.44Å; E522-R605 WeakPolarHBondContact OE1-CD 3.36Å; E522-R605 IonicContact OE1-CZ 2.74Å; E522-R605 IonicContact OE1-NE 3.35Å; E522-R605 IonicContact OE1-NH1 3.39Å; E522-R605 PolarHBondContact OE1-NH1 2.75Å
523H98.8Very high96.6Very high16 Ų1649.8 Ų49.87%0.07431%0.313CS..G310 helixtrans-92.5-6.2-178.2-56.485000113.7L519 T520 G521 G525 F571 F578 R605 E608 G609L519-H523 HydrophobicContact CB-CB 4.02Å; L519-H523 WeakPolarHBondContact CB-O 3.48Å; L519-H523 HydrophobicContact CD1-CB 4.29Å; T520-H523 PolarHBondContact O-N 3.08Å; G521-H523 PolarHBondContact O-N 2.97Å; H523-G525 PolarHBondContact O-N 3.39Å; H523-F571 WeakPolarHBondContact O-CE1 3.33Å; H523-F571 VanDerWaalsContact O-CZ 3.25Å; H523-F571 WeakPolarHBondContact O-CZ 3.3Å; H523-F578 AromaticContact CD2-CD1 3.9Å; H523-F578 AromaticContact CD2-CD2 3.8Å; H523-F578 AromaticContact CD2-CE2 3.96Å; H523-F578 AromaticContact CD2-CG 3.76Å; H523-R605 PolarHBondContact NE2-O 2.93Å; H523-E608 IonicContact CE1-OE2 3.92Å; H523-G609 PolarHBondContact NE2-N 3.03Å
524A98.6Very high96.2Very high33 Ų3356.2 Ų56.227%0.27334%0.34SS..  trans-61.1134176.200000110.6L519 T520 G521 N573L519-A524 WeakPolarHBondContact O-CA 3.09Å; T520-A524 PolarHBondContact O-N 3.38Å; G521-A524 WeakPolarHBondContact O-CB 3.46Å; G521-A524 PolarHBondContact O-N 3.12Å; A524-N573 VanDerWaalsContact O-CA 3.29Å; A524-N573 WeakPolarHBondContact O-CA 3.35Å; A524-N573 VanDerWaalsContact O-CB 3.31Å; A524-N573 WeakPolarHBondContact O-CB 3.2Å
525G97.3Very high95.6Very high26 Ų2659.7 Ų59.727%0.26834%0.344SS..EExtended strand (participates in β ladder)trans-166.1-170.7-169.500000113.7H523 H572H523-G525 PolarHBondContact O-N 3.39Å; G525-H572 WeakPolarHBondContact CA-O 3.47Å
526T96.7Very high95.1Very high63 Ų6367 Ų6739%0.38738%0.376SS..EExtended strand (participates in β ladder)trans-119.8139.7-178.3-61.20000110.1Y528 F571 H572T526-Y528 HydrophobicContact CG2-CD1 4.38Å; T526-Y528 HydrophobicContact CG2-CD2 4.22Å; T526-Y528 HydrophobicContact CG2-CE1 3.86Å; T526-Y528 HydrophobicContact CG2-CE2 3.66Å; T526-Y528 VanDerWaalsContact CG2-CZ 3.47Å; T526-Y528 WeakPolarHBondContact O-CE2 3.42Å; T526-F571 WeakPolarHBondContact O-CA 3.19Å; T526-F571 VanDerWaalsContact O-CD2 3.3Å; T526-F571 WeakPolarHBondContact O-CD2 3.5Å; T526-H572 PolarHBondContact N-O 3.45Å; T526-H572 PolarHBondContact O-N 2.99Å
527Y97.6Very high94.7Very high21 Ų2169.2 Ų69.28%0.08239%0.389CS..EExtended strand (participates in β ladder)trans-100126.3172.9-179.2-108.7000110E509 L516 P529 G569 F571 V582E509-Y527 HydrophobicContact CG-CE1 4.29Å; E509-Y527 WeakPolarHBondContact CG-OH 3.13Å; E509-Y527 WeakPolarHBondContact OE1-CE1 3.4Å; E509-Y527 PolarHBondContact OE1-OH 3.23Å; L516-Y527 HydrophobicContact CD1-CD2 4.29Å; Y527-P529 HydrophobicContact CE1-CB 4Å; Y527-P529 WeakPolarHBondContact O-CD 3.45Å; Y527-G569 WeakPolarHBondContact OH-CA 3.25Å; Y527-F571 HydrophobicContact CD2-CB 4.15Å; Y527-V582 HydrophobicContact CE2-CB 4.31Å; Y527-V582 HydrophobicContact CE2-CG2 3.7Å
528Y96Very high94.1Very high47 Ų4767.5 Ų67.518%0.18438%0.378CS..EExtended strand (participates in β ladder)trans-112.896.7-179.5-56.6-92.2000108.7T526 D537 G569 I570 H572T526-Y528 HydrophobicContact CG2-CD1 4.38Å; T526-Y528 HydrophobicContact CG2-CD2 4.22Å; T526-Y528 HydrophobicContact CG2-CE1 3.86Å; T526-Y528 HydrophobicContact CG2-CE2 3.66Å; T526-Y528 VanDerWaalsContact CG2-CZ 3.47Å; T526-Y528 WeakPolarHBondContact O-CE2 3.42Å; Y528-D537 HydrophobicContact CD1-CB 4.3Å; Y528-D537 HydrophobicContact CE1-CB 4.45Å; Y528-G569 VanDerWaalsContact O-CA 3.25Å; Y528-G569 WeakPolarHBondContact O-CA 3.43Å; Y528-I570 WeakPolarHBondContact CD2-O 3.23Å; Y528-I570 PolarHBondContact N-O 2.81Å; Y528-I570 PolarHBondContact O-N 2.94Å; Y528-H572 AromaticContact CE2-CD2 3.79Å; Y528-H572 AromaticContact CE2-CE1 3.84Å; Y528-H572 AromaticContact CE2-NE2 3.29Å; Y528-H572 VanDerWaalsContact CE2-NE2 3.29Å; Y528-H572 WeakPolarHBondContact CE2-NE2 3.48Å; Y528-H572 AromaticContact CZ-NE2 3.87Å
529P96.6Very high93.5Very high37 Ų3771 Ų7124%0.2438%0.378CS..EExtended strand (participates in β ladder)trans-65.5138.9171.328.7-33.1000109.4Y527 T531 M533Y527-P529 HydrophobicContact CE1-CB 4Å; Y527-P529 WeakPolarHBondContact O-CD 3.45Å; P529-T531 PolarHBondContact O-N 2.84Å; P529-M533 PolarHBondContact O-N 2.92Å
530L95.8Very high93.1Very high23 Ų2374.3 Ų74.312%0.1239%0.393CS..SBendtrans-72.2-17.7-179.7-92.266.1000113M533 L547 F548 W564 P565 R568 I570L530-M533 HydrophobicContact CD1-CE 3.7Å; L530-M533 HydrophobicContact CG-CE 4.11Å; L530-L547 HydrophobicContact CD1-CD1 4.24Å; L530-L547 HydrophobicContact CD2-CD1 4.45Å; L530-L547 HydrophobicContact CG-CD1 4.37Å; L530-F548 HydrophobicContact CD2-CE2 4.21Å; L530-F548 HydrophobicContact CD2-CZ 4.29Å; L530-W564 HydrophobicContact CD2-CH2 3.66Å; L530-W564 HydrophobicContact CD2-CZ2 3.56Å; L530-P565 HydrophobicContact CB-CB 3.73Å; L530-P565 HydrophobicContact CB-CG 4.31Å; L530-P565 HydrophobicContact CD2-CB 4.42Å; L530-R568 HydrophobicContact CB-CB 4.38Å; L530-R568 HydrophobicContact CD2-CB 4.08Å; L530-R568 PolarHBondContact N-O 2.97Å; L530-I570 HydrophobicContact CD1-CG1 4.34Å
531T92.3Very high92.6Very high63 Ų6369 Ų6939%0.38736%0.361SS..SBendtrans-67.6-39.2178.249.70000112.9P529 P565 V566P529-T531 PolarHBondContact O-N 2.84Å; T531-P565 HydrophobicContact CG2-CG 4.07Å; T531-V566 HydrophobicContact CG2-CG2 4.49Å
532D88.2Confident91.8Very high133 Ų13368.4 Ų68.471%0.71134%0.343SS*.SBendtrans-121.224.8-172.2-55.8-60.5000111.8K534D532-K534 PolarHBondContact O-N 3.25Å
533M88.3Confident91Very high31 Ų3169 Ų6915%0.15335%0.346CS..  trans-68.8125.9179.5-170.8174.7-75.200109.9P529 L530 D537 R538 L541 L547P529-M533 PolarHBondContact O-N 2.92Å; L530-M533 HydrophobicContact CD1-CE 3.7Å; L530-M533 HydrophobicContact CG-CE 4.11Å; M533-D537 HydrophobicContact CG-CB 4.04Å; M533-R538 HydrophobicContact CG-CB 4.04Å; M533-R538 VanDerWaalsContact SD-CA 3.58Å; M533-R538 HydrophobicContact SD-CB 3.75Å; M533-R538 HydrophobicContact SD-CG 4.04Å; M533-L541 HydrophobicContact CE-CD1 3.53Å; M533-L541 HydrophobicContact SD-CD1 3.87Å; M533-L547 HydrophobicContact CE-CD1 4.11Å; M533-L547 HydrophobicContact SD-CD1 4.19Å
534K89Confident90.3Very high147 Ų14770.2 Ų70.264%0.63935%0.353SS*.  trans-66.9146.9173.3-62.1176.1-177.5174.30109.5D532 E536 D537 R538D532-K534 PolarHBondContact O-N 3.25Å; K534-E536 PolarHBondContact O-N 2.88Å; K534-D537 HydrophobicContact CB-CB 4.47Å; K534-D537 PolarHBondContact O-N 3.18Å; K534-D537 VanDerWaalsContact O-N 3.1Å; K534-R538 PolarHBondContact O-N 2.96Å
535E85.9Confident89.5Confident120 Ų12075.2 Ų75.256%0.56137%0.371SS*.Hα-helixtrans-58.5-32.9178.8-80.5-61.3125.700113.3R538 K539E535-R538 VanDerWaalsContact CD-NE 3.33Å; E535-R538 PolarHBondContact O-N 3.44Å; E535-R538 IonicContact OE1-CZ 4Å; E535-R538 IonicContact OE1-NE 3.92Å; E535-R538 PolarHBondContact OE1-NE 3.46Å; E535-R538 IonicContact OE2-CZ 2.64Å; E535-R538 VanDerWaalsContact OE2-CZ 3.23Å; E535-R538 IonicContact OE2-NE 3.91Å; E535-R538 PolarHBondContact OE2-NE 2.81Å; E535-R538 IonicContact OE2-NH2 2.76Å; E535-R538 PolarHBondContact OE2-NH2 3.23Å; E535-K539 WeakPolarHBondContact O-CB 3.23Å; E535-K539 PolarHBondContact O-N 3.14Å
536E89.6Confident88.8Confident161 Ų16175 Ų7575%0.75236%0.363SS*.Hα-helixtrans-64.9-48.5174.3-172.7174.8-169.300111.8K534 R538 K539 Q540K534-E536 PolarHBondContact O-N 2.88Å; E536-R538 VanDerWaalsContact C-N 3.32Å; E536-R538 PolarHBondContact O-N 3.36Å; E536-K539 PolarHBondContact O-N 2.8Å; E536-Q540 WeakPolarHBondContact O-CB 3.41Å; E536-Q540 PolarHBondContact O-N 3.28Å
537D89.3Confident88.1Confident48 Ų4873.5 Ų73.526%0.25735%0.352SS..Hα-helixtrans-61.1-43.3175.9-64-35.2000110.7Y528 M533 K534 K539 Q540 L541Y528-D537 HydrophobicContact CD1-CB 4.3Å; Y528-D537 HydrophobicContact CE1-CB 4.45Å; M533-D537 HydrophobicContact CG-CB 4.04Å; K534-D537 HydrophobicContact CB-CB 4.47Å; K534-D537 PolarHBondContact O-N 3.18Å; K534-D537 VanDerWaalsContact O-N 3.1Å; D537-K539 PolarHBondContact O-N 3.22Å; D537-Q540 PolarHBondContact O-N 3.02Å; D537-L541 WeakPolarHBondContact O-CB 3.32Å; D537-L541 VanDerWaalsContact O-CG 3.26Å; D537-L541 WeakPolarHBondContact O-CG 3.39Å; D537-L541 PolarHBondContact O-N 2.86Å
538R85.7Confident87.5Confident103 Ų10373.1 Ų73.139%0.38935%0.351SS..Hα-helixtrans-58.8-48.4177.2-169.8-17470.176.71.9110.9M533 K534 E535 E536 L541 V542 L547M533-R538 HydrophobicContact CG-CB 4.04Å; M533-R538 VanDerWaalsContact SD-CA 3.58Å; M533-R538 HydrophobicContact SD-CB 3.75Å; M533-R538 HydrophobicContact SD-CG 4.04Å; K534-R538 PolarHBondContact O-N 2.96Å; E535-R538 VanDerWaalsContact CD-NE 3.33Å; E535-R538 PolarHBondContact O-N 3.44Å; E535-R538 IonicContact OE1-CZ 4Å; E535-R538 IonicContact OE1-NE 3.92Å; E535-R538 PolarHBondContact OE1-NE 3.46Å; E535-R538 IonicContact OE2-CZ 2.64Å; E535-R538 VanDerWaalsContact OE2-CZ 3.23Å; E535-R538 IonicContact OE2-NE 3.91Å; E535-R538 PolarHBondContact OE2-NE 2.81Å; E535-R538 IonicContact OE2-NH2 2.76Å; E535-R538 PolarHBondContact OE2-NH2 3.23Å; E536-R538 VanDerWaalsContact C-N 3.32Å; E536-R538 PolarHBondContact O-N 3.36Å; R538-L541 PolarHBondContact O-N 3.02Å; R538-V542 VanDerWaalsContact O-CG2 3.27Å; R538-V542 WeakPolarHBondContact O-CG2 2.92Å; R538-V542 PolarHBondContact O-N 2.83Å; R538-L547 HydrophobicContact CG-CD2 3.77Å
539K85.6Confident86.7Confident129 Ų12976.1 Ų76.156%0.56137%0.365SS*.Hα-helixtrans-62.6-45.5179.7-173.1179.1174.8-173.90111E535 E536 D537 L541 V542 E543E535-K539 WeakPolarHBondContact O-CB 3.23Å; E535-K539 PolarHBondContact O-N 3.14Å; E536-K539 PolarHBondContact O-N 2.8Å; D537-K539 PolarHBondContact O-N 3.22Å; K539-L541 PolarHBondContact O-N 2.89Å; K539-V542 WeakPolarHBondContact O-CB 3.46Å; K539-V542 PolarHBondContact O-N 2.69Å; K539-E543 WeakPolarHBondContact CE-OE1 3.45Å; K539-E543 WeakPolarHBondContact O-CG 3.48Å; K539-E543 PolarHBondContact O-N 2.76Å
540Q89.2Confident86.2Confident83 Ų8378.2 Ų78.239%0.38837%0.374SS..Hα-helixtrans-61.7-45.7178.2-173.460.26800111.8E536 D537 V542 E543 D544E536-Q540 WeakPolarHBondContact O-CB 3.41Å; E536-Q540 PolarHBondContact O-N 3.28Å; D537-Q540 PolarHBondContact O-N 3.02Å; Q540-V542 VanDerWaalsContact C-N 3.26Å; Q540-V542 PolarHBondContact O-N 3.02Å; Q540-E543 PolarHBondContact O-N 2.86Å; Q540-D544 PolarHBondContact NE2-OD1 2.69Å; Q540-D544 VanDerWaalsContact NE2-OD1 3.17Å; Q540-D544 PolarHBondContact NE2-OD2 3.26Å; Q540-D544 WeakPolarHBondContact O-CB 3.46Å; Q540-D544 VanDerWaalsContact O-CG 3.23Å; Q540-D544 PolarHBondContact O-N 2.77Å; Q540-D544 VanDerWaalsContact O-OD2 3.08Å
541L87.9Confident85.9Confident3 Ų382.3 Ų82.32%0.01640%0.396CS..Hα-helixtrans-65-29.4177.4-70.1170.2000112.8M533 D537 R538 K539 H545 F546 L547 I570M533-L541 HydrophobicContact CE-CD1 3.53Å; M533-L541 HydrophobicContact SD-CD1 3.87Å; D537-L541 WeakPolarHBondContact O-CB 3.32Å; D537-L541 VanDerWaalsContact O-CG 3.26Å; D537-L541 WeakPolarHBondContact O-CG 3.39Å; D537-L541 PolarHBondContact O-N 2.86Å; R538-L541 PolarHBondContact O-N 3.02Å; K539-L541 PolarHBondContact O-N 2.89Å; L541-H545 PolarHBondContact O-N 3.4Å; L541-F546 HydrophobicContact CD2-CB 4Å; L541-F546 HydrophobicContact CD2-CD2 4.12Å; L541-F546 PolarHBondContact O-N 3.23Å; L541-L547 HydrophobicContact CB-CB 3.96Å; L541-L547 PolarHBondContact O-N 2.9Å; L541-I570 HydrophobicContact CD1-CD1 4.39Å; L541-I570 HydrophobicContact CD2-CG2 4.33Å
542V80.6Confident85.8Confident52 Ų5282.1 Ų82.132%0.31539%0.393SS..Hα-helixtrans-70.1-46.6171.7169.30000110.9R538 K539 Q540 D544 H545 L547R538-V542 VanDerWaalsContact O-CG2 3.27Å; R538-V542 WeakPolarHBondContact O-CG2 2.92Å; R538-V542 PolarHBondContact O-N 2.83Å; K539-V542 WeakPolarHBondContact O-CB 3.46Å; K539-V542 PolarHBondContact O-N 2.69Å; Q540-V542 VanDerWaalsContact C-N 3.26Å; Q540-V542 PolarHBondContact O-N 3.02Å; V542-D544 VanDerWaalsContact C-N 3.3Å; V542-D544 PolarHBondContact O-N 2.92Å; V542-H545 PolarHBondContact O-N 2.98Å; V542-L547 HydrophobicContact CG2-CB 4.03Å; V542-L547 HydrophobicContact CG2-CD2 3.56Å; V542-L547 HydrophobicContact CG2-CG 4.42Å
543E82.4Confident86.2Confident110 Ų11078.3 Ų78.351%0.51438%0.375SS..Hα-helixtrans-62.2-36.9178.1-74.1176.7-172.700112.1K539 Q540 H545K539-E543 WeakPolarHBondContact CE-OE1 3.45Å; K539-E543 WeakPolarHBondContact O-CG 3.48Å; K539-E543 PolarHBondContact O-N 2.76Å; Q540-E543 PolarHBondContact O-N 2.86Å; E543-H545 PolarHBondContact O-N 3.26Å
544D84.2Confident86.6Confident42 Ų4278 Ų7823%0.22538%0.375CS..THydrogen-bonded Turntrans-75.8-3.1175.3-63.7-43.2000113.5Q540 V542 F546 K576Q540-D544 PolarHBondContact NE2-OD1 2.69Å; Q540-D544 VanDerWaalsContact NE2-OD1 3.17Å; Q540-D544 PolarHBondContact NE2-OD2 3.26Å; Q540-D544 WeakPolarHBondContact O-CB 3.46Å; Q540-D544 VanDerWaalsContact O-CG 3.23Å; Q540-D544 PolarHBondContact O-N 2.77Å; Q540-D544 VanDerWaalsContact O-OD2 3.08Å; V542-D544 VanDerWaalsContact C-N 3.3Å; V542-D544 PolarHBondContact O-N 2.92Å; D544-F546 HydrophobicContact CB-CB 4.48Å; D544-F546 HydrophobicContact CB-CD1 4.12Å; D544-F546 HydrophobicContact CB-CD2 3.56Å; D544-F546 HydrophobicContact CB-CE1 4.21Å; D544-F546 HydrophobicContact CB-CE2 3.67Å; D544-F546 HydrophobicContact CB-CG 3.79Å; D544-F546 HydrophobicContact CB-CZ 3.99Å; D544-F546 WeakPolarHBondContact O-CD1 3.46Å; D544-F546 VanDerWaalsContact O-CE1 3.25Å; D544-F546 WeakPolarHBondContact O-CE1 3.16Å; D544-F546 PolarHBondContact O-N 2.94Å; D544-K576 IonicContact OD1-NZ 3.37Å; D544-K576 PolarHBondContact OD1-NZ 3.42Å; D544-K576 VanDerWaalsContact OD1-NZ 3.12Å; D544-K576 WeakPolarHBondContact OD2-CE 3.32Å; D544-K576 IonicContact OD2-NZ 3.31Å; D544-K576 PolarHBondContact OD2-NZ 2.71Å
545H80.8Confident87Confident138 Ų13871.2 Ų71.264%0.63935%0.345SS*.THydrogen-bonded Turntrans57.231-171.8-61.2-79.2000114.1L541 V542 E543 Y672L541-H545 PolarHBondContact O-N 3.4Å; V542-H545 PolarHBondContact O-N 2.98Å; E543-H545 PolarHBondContact O-N 3.26Å; H545-Y672 AromaticContact CE1-CE1 3.97Å
546F84.1Confident87.6Confident22 Ų2268 Ų6810%0.09633%0.328CS..  trans-96.5-28.7179.1-63.9-15.2000113.5L541 D544 F548 I570 K576 L579 W581 M593L541-F546 HydrophobicContact CD2-CB 4Å; L541-F546 HydrophobicContact CD2-CD2 4.12Å; L541-F546 PolarHBondContact O-N 3.23Å; D544-F546 HydrophobicContact CB-CB 4.48Å; D544-F546 HydrophobicContact CB-CD1 4.12Å; D544-F546 HydrophobicContact CB-CD2 3.56Å; D544-F546 HydrophobicContact CB-CE1 4.21Å; D544-F546 HydrophobicContact CB-CE2 3.67Å; D544-F546 HydrophobicContact CB-CG 3.79Å; D544-F546 HydrophobicContact CB-CZ 3.99Å; D544-F546 WeakPolarHBondContact O-CD1 3.46Å; D544-F546 VanDerWaalsContact O-CE1 3.25Å; D544-F546 WeakPolarHBondContact O-CE1 3.16Å; D544-F546 PolarHBondContact O-N 2.94Å; F546-F548 PolarHBondContact O-N 3.14Å; F546-I570 VanDerWaalsContact O-CD1 3.31Å; F546-I570 WeakPolarHBondContact O-CD1 3.29Å; F546-K576 HydrophobicContact CE2-CB 3.63Å; F546-K576 HydrophobicContact CE2-CD 3.76Å; F546-K576 HydrophobicContact CE2-CG 3.76Å; F546-K576 HydrophobicContact CZ-CB 3.79Å; F546-K576 HydrophobicContact CZ-CD 4.35Å; F546-K576 HydrophobicContact CZ-CG 4.39Å; F546-L579 HydrophobicContact CB-CD2 4.06Å; F546-L579 HydrophobicContact CD1-CD2 3.56Å; F546-L579 HydrophobicContact CD2-CD2 3.47Å; F546-L579 VanDerWaalsContact CD2-CD2 3.47Å; F546-L579 HydrophobicContact CE1-CD2 3.78Å; F546-L579 HydrophobicContact CE2-CD2 3.67Å; F546-L579 HydrophobicContact CG-CD2 3.41Å; F546-L579 VanDerWaalsContact CG-CD2 3.41Å; F546-L579 HydrophobicContact CZ-CD2 3.84Å; F546-W581 WeakPolarHBondContact O-CZ2 3.33Å; F546-W581 PolarHBondContact O-NE1 2.92Å; F546-M593 HydrophobicContact CE1-SD 3.87Å; F546-M593 HydrophobicContact CZ-SD 4.49Å
547L82.3Confident88Confident31 Ų3160.5 Ų60.516%0.16229%0.293CS..  trans-72.6120.2-179.3-167.165.5000111.3L530 M533 R538 L541 V542 I570L530-L547 HydrophobicContact CD1-CD1 4.24Å; L530-L547 HydrophobicContact CD2-CD1 4.45Å; L530-L547 HydrophobicContact CG-CD1 4.37Å; M533-L547 HydrophobicContact CE-CD1 4.11Å; M533-L547 HydrophobicContact SD-CD1 4.19Å; R538-L547 HydrophobicContact CG-CD2 3.77Å; L541-L547 HydrophobicContact CB-CB 3.96Å; L541-L547 PolarHBondContact O-N 2.9Å; V542-L547 HydrophobicContact CG2-CB 4.03Å; V542-L547 HydrophobicContact CG2-CD2 3.56Å; V542-L547 HydrophobicContact CG2-CG 4.42Å; L547-I570 HydrophobicContact CB-CD1 4.34Å; L547-I570 HydrophobicContact CD1-CD1 3.59Å
548F83.9Confident88.4Confident13 Ų1358.3 Ų58.36%0.05728%0.282CS..  trans-80146.4165.362.1-91.7000110.4L530 F546 W564 R568 I570 W581 E584L530-F548 HydrophobicContact CD2-CE2 4.21Å; L530-F548 HydrophobicContact CD2-CZ 4.29Å; F546-F548 PolarHBondContact O-N 3.14Å; F548-W564 AromaticContact CD2-CH2 3.89Å; F548-W564 HydrophobicContact CD2-CH2 3.89Å; F548-W564 HydrophobicContact CD2-CZ3 4.46Å; F548-W564 AromaticContact CE2-CH2 3.63Å; F548-W564 HydrophobicContact CE2-CH2 3.63Å; F548-W564 AromaticContact CE2-CZ3 3.98Å; F548-W564 HydrophobicContact CE2-CZ3 3.98Å; F548-R568 HydrophobicContact CE2-CB 4.17Å; F548-R568 HydrophobicContact CE2-CG 3.95Å; F548-R568 HydrophobicContact CZ-CB 3.91Å; F548-R568 HydrophobicContact CZ-CG 4.02Å; F548-I570 HydrophobicContact CD1-CD1 4.21Å; F548-I570 HydrophobicContact CD1-CG1 4.24Å; F548-I570 HydrophobicContact CE1-CD1 4.33Å; F548-I570 HydrophobicContact CE1-CG1 3.91Å; F548-W581 HydrophobicContact CB-CD2 4.44Å; F548-W581 HydrophobicContact CB-CE3 4.21Å; F548-W581 HydrophobicContact CB-CH2 4.26Å; F548-W581 HydrophobicContact CB-CZ2 4.46Å; F548-W581 HydrophobicContact CB-CZ3 4.11Å; F548-W581 HydrophobicContact CD1-CB 4.02Å; F548-W581 AromaticContact CD1-CD1 3.97Å; F548-W581 AromaticContact CD1-CD2 3.73Å; F548-W581 HydrophobicContact CD1-CD2 3.73Å; F548-W581 HydrophobicContact CD1-CE3 4.11Å; F548-W581 AromaticContact CD1-CG 3.68Å; F548-W581 HydrophobicContact CD1-CG 3.68Å; F548-W581 HydrophobicContact CE1-CB 3.86Å; F548-W581 HydrophobicContact CE1-CD2 4.46Å; F548-W581 AromaticContact CE1-CG 3.96Å; F548-W581 HydrophobicContact CE1-CG 3.96Å; F548-W581 HydrophobicContact CG-CD2 4.47Å; F548-W581 HydrophobicContact CG-CE3 4.45Å; F548-E584 HydrophobicContact CB-CG 4.17Å; F548-E584 HydrophobicContact CD1-CB 4.46Å; F548-E584 HydrophobicContact CD1-CG 4.42Å; F548-E584 HydrophobicContact CD2-CB 4.03Å; F548-E584 HydrophobicContact CD2-CG 3.6Å; F548-E584 HydrophobicContact CE1-CB 4.38Å; F548-E584 HydrophobicContact CE2-CB 3.94Å; F548-E584 HydrophobicContact CE2-CG 4.01Å; F548-E584 HydrophobicContact CG-CB 4.29Å; F548-E584 HydrophobicContact CG-CG 3.83Å; F548-E584 HydrophobicContact CZ-CB 4.11Å
549K79.3Confident89.1Confident109 Ų10953.4 Ų53.447%0.47426%0.263SS..  trans-112.5166.4-176.2-63.8177.3-174.2175.90110.7D551 Y561K549-D551 VanDerWaalsContact C-N 3.34Å; K549-D551 HydrophobicContact CB-CB 4.46Å; K549-D551 VanDerWaalsContact CB-OD1 3.29Å; K549-D551 WeakPolarHBondContact CB-OD1 3.23Å; K549-D551 WeakPolarHBondContact CD-OD2 3.42Å; K549-Y561 PolarHBondContact O-OH 3.04Å; K549-Y561 VanDerWaalsContact O-OH 3.06Å
550N87.1Confident89.7Confident81 Ų8147.3 Ų47.343%0.43324%0.237SC..SBendtrans-97.237.2176.562.4-27.3000112.7Y561 W564N550-Y561 VanDerWaalsContact CA-CE2 3.47Å; N550-Y561 VanDerWaalsContact CA-CZ 3.47Å; N550-Y561 HydrophobicContact CB-CD1 3.97Å; N550-Y561 HydrophobicContact CB-CD2 3.89Å; N550-Y561 HydrophobicContact CB-CE1 4.24Å; N550-Y561 HydrophobicContact CB-CE2 4.17Å; N550-Y561 HydrophobicContact CB-CG 3.8Å; N550-Y561 WeakPolarHBondContact O-CD2 3.29Å; N550-Y561 WeakPolarHBondContact O-CE2 3.45Å; N550-W564 HydrophobicContact CB-CD2 3.84Å; N550-W564 HydrophobicContact CB-CE3 4.09Å; N550-W564 HydrophobicContact CB-CG 4.38Å; N550-W564 HydrophobicContact CB-CH2 4.17Å; N550-W564 HydrophobicContact CB-CZ2 3.93Å; N550-W564 HydrophobicContact CB-CZ3 4.24Å
551D88.9Confident90.1Very high109 Ų10944.5 Ų44.558%0.58322%0.223SC*.  trans-113.5-5.7-170.160.7-6.9000114.7K549 P553K549-D551 VanDerWaalsContact C-N 3.34Å; K549-D551 HydrophobicContact CB-CB 4.46Å; K549-D551 VanDerWaalsContact CB-OD1 3.29Å; K549-D551 WeakPolarHBondContact CB-OD1 3.23Å; K549-D551 WeakPolarHBondContact CD-OD2 3.42Å; D551-P553 WeakPolarHBondContact O-CD 3.46Å
552D90.4Very high90.5Very high60 Ų6045.5 Ų45.532%0.32123%0.226SC..  trans-75.1111.9171.6173.923.3000110.7V554 L555 R556 Y561D552-V554 PolarHBondContact O-N 2.87Å; D552-V554 WeakPolarHBondContact OD1-CB 3.3Å; D552-V554 PolarHBondContact OD1-N 3.42Å; D552-L555 HydrophobicContact CB-CB 4.32Å; D552-L555 PolarHBondContact O-N 3.43Å; D552-L555 WeakPolarHBondContact OD2-CB 3.44Å; D552-L555 PolarHBondContact OD2-N 3.41Å; D552-L555 VanDerWaalsContact OD2-N 3.08Å; D552-R556 VanDerWaalsContact O-CB 3.31Å; D552-R556 WeakPolarHBondContact O-CB 3.44Å; D552-R556 PolarHBondContact O-N 3.35Å; D552-Y561 WeakPolarHBondContact CB-OH 3.16Å; D552-Y561 PolarHBondContact N-OH 3.28Å; D552-Y561 VanDerWaalsContact O-CE2 3.3Å; D552-Y561 WeakPolarHBondContact O-CE2 3.42Å
553P95.5Very high91.3Very high53 Ų5346.2 Ų46.234%0.34423%0.228SC..Hα-helixtrans-64.4-25.3179.228.8-36.3000112.7N419 D551 D557N419-P553 PolarHBondContact ND2-O 2.94Å; D551-P553 WeakPolarHBondContact O-CD 3.46Å; P553-D557 VanDerWaalsContact O-CB 3.3Å; P553-D557 WeakPolarHBondContact O-CB 3.39Å; P553-D557 PolarHBondContact O-N 3.25Å
554V97.1Very high92Very high25 Ų2544.7 Ų44.715%0.15222%0.218CC..Hα-helixtrans-68.8-52.2178.8-1790000110.2N415 N419 S422 D552 D557 A558N415-V554 HydrophobicContact CB-CG1 4Å; N415-V554 WeakPolarHBondContact CB-O 3.46Å; N419-V554 HydrophobicContact CB-CG2 3.96Å; S422-V554 VanDerWaalsContact OG-CG1 3.31Å; S422-V554 WeakPolarHBondContact OG-CG1 3.47Å; D552-V554 PolarHBondContact O-N 2.87Å; D552-V554 WeakPolarHBondContact OD1-CB 3.3Å; D552-V554 PolarHBondContact OD1-N 3.42Å; V554-D557 PolarHBondContact O-N 3.41Å; V554-A558 PolarHBondContact O-N 2.81Å; V554-A558 VanDerWaalsContact O-N 3.14Å
555L97.4Very high92.6Very high3 Ų344.4 Ų44.42%0.01622%0.218CC..Hα-helixtrans-67.8-36.3176.8-177.157.6000112.2D552 D557 A558 G559 G560 Y561 E584 E585D552-L555 HydrophobicContact CB-CB 4.32Å; D552-L555 PolarHBondContact O-N 3.43Å; D552-L555 WeakPolarHBondContact OD2-CB 3.44Å; D552-L555 PolarHBondContact OD2-N 3.41Å; D552-L555 VanDerWaalsContact OD2-N 3.08Å; L555-D557 PolarHBondContact O-N 2.9Å; L555-A558 WeakPolarHBondContact O-CB 3.5Å; L555-A558 PolarHBondContact O-N 3.04Å; L555-G559 PolarHBondContact O-N 2.88Å; L555-G560 PolarHBondContact O-N 3Å; L555-Y561 HydrophobicContact CD2-CE1 3.68Å; L555-Y561 HydrophobicContact CG-CE1 4.03Å; L555-E584 HydrophobicContact CD2-CG 4.37Å; L555-E584 WeakPolarHBondContact CD2-OE1 3.29Å; L555-E585 HydrophobicContact CD1-CB 4.25Å; L555-E585 HydrophobicContact CD1-CG 4.22Å; L555-E585 HydrophobicContact CD2-CB 4.2Å
556R98Very high93.4Very high54 Ų5439 Ų3920%0.20420%0.195CC..Hα-helixtrans-55.2-52.6172.4-174.7-167.965.7-172.40.3111P291 E295 D552 A558 G559 Y561P291-R556 HydrophobicContact CB-CG 3.83Å; P291-R556 WeakPolarHBondContact CB-O 3.29Å; P291-R556 VanDerWaalsContact CG-O 3.3Å; P291-R556 WeakPolarHBondContact CG-O 3.37Å; E295-R556 IonicContact OE1-CZ 2.75Å; E295-R556 IonicContact OE1-NH1 2.67Å; E295-R556 PolarHBondContact OE1-NH1 3.09Å; E295-R556 IonicContact OE1-NH2 3.01Å; E295-R556 IonicContact OE2-NH1 3.8Å; D552-R556 VanDerWaalsContact O-CB 3.31Å; D552-R556 WeakPolarHBondContact O-CB 3.44Å; D552-R556 PolarHBondContact O-N 3.35Å; R556-A558 PolarHBondContact O-N 3.45Å; R556-G559 WeakPolarHBondContact O-CA 3.43Å; R556-G559 PolarHBondContact O-N 3.48Å; R556-Y561 HydrophobicContact CB-CD2 3.53Å; R556-Y561 HydrophobicContact CB-CE2 3.86Å; R556-Y561 HydrophobicContact CG-CD2 3.97Å
557D98.6Very high94Very high3 Ų338 Ų382%0.01619%0.191CC..Hα-helixtrans-74.4-15.3-174.2-65.2-6.9000112.6N292 R414 Y418 N419 P553 V554 L555 G559N292-D557 VanDerWaalsContact CB-OD1 3.25Å; N292-D557 WeakPolarHBondContact CB-OD1 3.3Å; N292-D557 PolarHBondContact ND2-OD1 3.05Å; N292-D557 PolarHBondContact ND2-OD2 2.99Å; R414-D557 WeakPolarHBondContact CD-O 3.24Å; R414-D557 WeakPolarHBondContact CG-O 3.33Å; R414-D557 PolarHBondContact NH1-O 3.05Å; Y418-D557 WeakPolarHBondContact CB-OD2 3.36Å; N419-D557 PolarHBondContact ND2-OD2 3.35Å; P553-D557 VanDerWaalsContact O-CB 3.3Å; P553-D557 WeakPolarHBondContact O-CB 3.39Å; P553-D557 PolarHBondContact O-N 3.25Å; V554-D557 PolarHBondContact O-N 3.41Å; L555-D557 PolarHBondContact O-N 2.9Å; D557-G559 VanDerWaalsContact C-N 3.29Å
558A98.7Very high94.8Very high2 Ų236.6 Ų36.62%0.01718%0.184CC..THydrogen-bonded Turntrans-77.4-9.4165.400000113.8N415 R426 T498 V554 L555 R556N415-A558 HydrophobicContact CB-CB 4Å; R426-A558 HydrophobicContact CB-CB 3.85Å; R426-A558 HydrophobicContact CG-CB 3.94Å; T498-A558 VanDerWaalsContact CA-O 3.32Å; T498-A558 WeakPolarHBondContact CA-O 3.49Å; T498-A558 WeakPolarHBondContact CB-O 3.2Å; T498-A558 HydrophobicContact CG2-CB 3.98Å; T498-A558 WeakPolarHBondContact CG2-O 3.33Å; V554-A558 PolarHBondContact O-N 2.81Å; V554-A558 VanDerWaalsContact O-N 3.14Å; L555-A558 WeakPolarHBondContact O-CB 3.5Å; L555-A558 PolarHBondContact O-N 3.04Å; R556-A558 PolarHBondContact O-N 3.45Å
559G98.6Very high95.4Very high0 Ų036 Ų360%018%0.181CC..THydrogen-bonded Turntrans96.43.3-177.800000115.5M364 T498 L555 R556 D557 Y561 R562M364-G559 WeakPolarHBondContact SD-CA 3.27Å; T498-G559 CarbonylContact O-C 3.59Å; T498-G559 VanDerWaalsContact O-C 3.27Å; T498-G559 VanDerWaalsContact O-CA 3.29Å; T498-G559 WeakPolarHBondContact O-CA 3.45Å; T498-G559 VanDerWaalsContact O-O 3.13Å; L555-G559 PolarHBondContact O-N 2.88Å; R556-G559 WeakPolarHBondContact O-CA 3.43Å; R556-G559 PolarHBondContact O-N 3.48Å; D557-G559 VanDerWaalsContact C-N 3.29Å; G559-Y561 PolarHBondContact O-N 3.02Å; G559-Y561 VanDerWaalsContact O-N 3.11Å; G559-R562 WeakPolarHBondContact O-CG 3.48Å; G559-R562 PolarHBondContact O-N 3.28Å; G559-R562 PolarHBondContact O-NE 3.05Å
560G98Very high96.3Very high0 Ų030.8 Ų30.80%016%0.158CC..THydrogen-bonded Turntrans-63.2-18.3-173.500000115.4P497 L555 R568P497-G560 WeakPolarHBondContact O-CA 3.19Å; L555-G560 PolarHBondContact O-N 3Å; G560-R568 PolarHBondContact O-NH2 2.86Å
561Y98.1Very high96.8Very high24 Ų2427 Ų279%0.09414%0.138CC..THydrogen-bonded Turntrans-111.414.2-179.2-54.1-35.4000114.5K549 N550 D552 L555 R556 G559 W564K549-Y561 PolarHBondContact O-OH 3.04Å; K549-Y561 VanDerWaalsContact O-OH 3.06Å; N550-Y561 VanDerWaalsContact CA-CE2 3.47Å; N550-Y561 VanDerWaalsContact CA-CZ 3.47Å; N550-Y561 HydrophobicContact CB-CD1 3.97Å; N550-Y561 HydrophobicContact CB-CD2 3.89Å; N550-Y561 HydrophobicContact CB-CE1 4.24Å; N550-Y561 HydrophobicContact CB-CE2 4.17Å; N550-Y561 HydrophobicContact CB-CG 3.8Å; N550-Y561 WeakPolarHBondContact O-CD2 3.29Å; N550-Y561 WeakPolarHBondContact O-CE2 3.45Å; D552-Y561 WeakPolarHBondContact CB-OH 3.16Å; D552-Y561 PolarHBondContact N-OH 3.28Å; D552-Y561 VanDerWaalsContact O-CE2 3.3Å; D552-Y561 WeakPolarHBondContact O-CE2 3.42Å; L555-Y561 HydrophobicContact CD2-CE1 3.68Å; L555-Y561 HydrophobicContact CG-CE1 4.03Å; R556-Y561 HydrophobicContact CB-CD2 3.53Å; R556-Y561 HydrophobicContact CB-CE2 3.86Å; R556-Y561 HydrophobicContact CG-CD2 3.97Å; G559-Y561 PolarHBondContact O-N 3.02Å; G559-Y561 VanDerWaalsContact O-N 3.11Å; Y561-W564 HydrophobicContact CD1-CE3 4.1Å; Y561-W564 HydrophobicContact CD1-CZ3 4.01Å; Y561-W564 HydrophobicContact CE1-CZ3 4.44Å; Y561-W564 WeakPolarHBondContact O-CB 3.12Å
562R97.8Very high97.2Very high25 Ų2522.5 Ų22.59%0.09411%0.113CC..THydrogen-bonded Turntrans-62.8148.5170.8-67.5-179.3-55.9102.110.2110.9P291 G362 T498 I499 M500 G559 W564 R568P291-R562 HydrophobicContact CG-CG 4.27Å; G362-R562 PolarHBondContact O-NH1 3.02Å; G362-R562 VanDerWaalsContact O-NH1 3.14Å; T498-R562 PolarHBondContact O-NE 3.33Å; T498-R562 PolarHBondContact O-NH2 3.05Å; I499-R562 PolarHBondContact O-NH2 3.38Å; I499-R562 VanDerWaalsContact O-NH2 3.14Å; M500-R562 PolarHBondContact O-NH1 2.89Å; M500-R562 PolarHBondContact O-NH2 2.9Å; G559-R562 WeakPolarHBondContact O-CG 3.48Å; G559-R562 PolarHBondContact O-N 3.28Å; G559-R562 PolarHBondContact O-NE 3.05Å; R562-W564 PolarHBondContact O-N 3.07Å; R562-R568 PolarHBondContact O-NH1 2.86Å; R562-R568 PolarHBondContact O-NH2 3.37Å
563D96.9Very high97.6Very high66 Ų6619.7 Ų19.735%0.35310%0.098SC..THydrogen-bonded Turntrans54.132.2-179.2-52.1-77.8000113.2K502 V566K502-D563 HydrophobicContact CB-CB 4.14Å; K502-D563 HydrophobicContact CD-CB 4.35Å; K502-D563 HydrophobicContact CG-CB 4.15Å; D563-V566 VanDerWaalsContact O-CB 3.27Å; D563-V566 WeakPolarHBondContact O-CB 3.35Å; D563-V566 WeakPolarHBondContact O-CG2 3.36Å; D563-V566 PolarHBondContact O-N 3.5Å
564W96.2Very high97.6Very high79 Ų7923.5 Ų23.530%0.29912%0.116SC..THydrogen-bonded Turntrans-61.9137.2-175.4-174.6-96.6000112.2L530 F548 N550 Y561 R562 R568L530-W564 HydrophobicContact CD2-CH2 3.66Å; L530-W564 HydrophobicContact CD2-CZ2 3.56Å; F548-W564 AromaticContact CD2-CH2 3.89Å; F548-W564 HydrophobicContact CD2-CH2 3.89Å; F548-W564 HydrophobicContact CD2-CZ3 4.46Å; F548-W564 AromaticContact CE2-CH2 3.63Å; F548-W564 HydrophobicContact CE2-CH2 3.63Å; F548-W564 AromaticContact CE2-CZ3 3.98Å; F548-W564 HydrophobicContact CE2-CZ3 3.98Å; N550-W564 HydrophobicContact CB-CD2 3.84Å; N550-W564 HydrophobicContact CB-CE3 4.09Å; N550-W564 HydrophobicContact CB-CG 4.38Å; N550-W564 HydrophobicContact CB-CH2 4.17Å; N550-W564 HydrophobicContact CB-CZ2 3.93Å; N550-W564 HydrophobicContact CB-CZ3 4.24Å; Y561-W564 HydrophobicContact CD1-CE3 4.1Å; Y561-W564 HydrophobicContact CD1-CZ3 4.01Å; Y561-W564 HydrophobicContact CE1-CZ3 4.44Å; Y561-W564 WeakPolarHBondContact O-CB 3.12Å; R562-W564 PolarHBondContact O-N 3.07Å; W564-R568 HydrophobicContact CE3-CG 4.43Å; W564-R568 HydrophobicContact CZ3-CG 3.9Å
565P96.2Very high97.6Very high35 Ų3526.6 Ų26.623%0.22714%0.139CC..THydrogen-bonded Turncis-99.923.8-0.738.5-34.7000114.5L530 T531 G567 R568L530-P565 HydrophobicContact CB-CB 3.73Å; L530-P565 HydrophobicContact CB-CG 4.31Å; L530-P565 HydrophobicContact CD2-CB 4.42Å; T531-P565 HydrophobicContact CG2-CG 4.07Å; P565-G567 PolarHBondContact O-N 2.84Å; P565-R568 WeakPolarHBondContact O-CB 3.49Å; P565-R568 PolarHBondContact O-N 2.85Å
566V98.1Very high97.5Very high26 Ų2629.7 Ų29.716%0.15815%0.152CC..THydrogen-bonded Turntrans-58.3130.9-169.1179.10000112.3K502 R505 I506 T531 D563 R568K502-V566 HydrophobicContact CG-CB 4.45Å; K502-V566 HydrophobicContact CG-CG1 3.96Å; R505-V566 VanDerWaalsContact CD-O 3.3Å; R505-V566 WeakPolarHBondContact CD-O 3.47Å; I506-V566 HydrophobicContact CD1-CG1 4.1Å; I506-V566 HydrophobicContact CG1-CG1 3.63Å; T531-V566 HydrophobicContact CG2-CG2 4.49Å; D563-V566 VanDerWaalsContact O-CB 3.27Å; D563-V566 WeakPolarHBondContact O-CB 3.35Å; D563-V566 WeakPolarHBondContact O-CG2 3.36Å; D563-V566 PolarHBondContact O-N 3.5Å; V566-R568 VanDerWaalsContact C-N 3.28Å; V566-R568 VanDerWaalsContact O-CD 3.24Å; V566-R568 WeakPolarHBondContact O-CD 3.36Å; V566-R568 PolarHBondContact O-N 2.87Å; V566-R568 PolarHBondContact O-NH1 3.17Å
567G97.7Very high97.5Very high1 Ų128.3 Ų28.31%0.0115%0.149CC..THydrogen-bonded Turntrans76.76.8178.700000115.5E509 P565 C583E509-G567 WeakPolarHBondContact OE2-CA 3.18Å; P565-G567 PolarHBondContact O-N 2.84Å; G567-C583 VanDerWaalsContact O-CB 3.31Å; G567-C583 WeakPolarHBondContact O-CB 3.43Å
568R98.1Very high97.5Very high1 Ų128.1 Ų28.10%0.00415%0.149CC..  trans-100.7141.9177.6-79.358.8164.4-130.3-9.9109.7R505 L530 F548 G560 R562 W564 P565 V566 V582 C583R505-R568 VanDerWaalsContact NH1-CZ 3.29Å; R505-R568 VanDerWaalsContact NH1-NH2 3.1Å; L530-R568 HydrophobicContact CB-CB 4.38Å; L530-R568 HydrophobicContact CD2-CB 4.08Å; L530-R568 PolarHBondContact N-O 2.97Å; F548-R568 HydrophobicContact CE2-CB 4.17Å; F548-R568 HydrophobicContact CE2-CG 3.95Å; F548-R568 HydrophobicContact CZ-CB 3.91Å; F548-R568 HydrophobicContact CZ-CG 4.02Å; G560-R568 PolarHBondContact O-NH2 2.86Å; R562-R568 PolarHBondContact O-NH1 2.86Å; R562-R568 PolarHBondContact O-NH2 3.37Å; W564-R568 HydrophobicContact CE3-CG 4.43Å; W564-R568 HydrophobicContact CZ3-CG 3.9Å; P565-R568 WeakPolarHBondContact O-CB 3.49Å; P565-R568 PolarHBondContact O-N 2.85Å; V566-R568 VanDerWaalsContact C-N 3.28Å; V566-R568 VanDerWaalsContact O-CD 3.24Å; V566-R568 WeakPolarHBondContact O-CD 3.36Å; V566-R568 PolarHBondContact O-N 2.87Å; V566-R568 PolarHBondContact O-NH1 3.17Å; R568-V582 WeakPolarHBondContact CA-O 3.43Å; R568-C583 WeakPolarHBondContact CD-O 3.09Å; R568-C583 HydrophobicContact CG-CB 4.47Å; R568-C583 WeakPolarHBondContact CG-O 3.27Å; R568-C583 PolarHBondContact NE-O 3.23Å
569G97.1Very high97.5Very high0 Ų028.1 Ų28.10%015%0.148CC..EExtended strand (participates in β ladder)trans-163.3168.8178.600000113.5Y527 Y528 V582Y527-G569 WeakPolarHBondContact OH-CA 3.25Å; Y528-G569 VanDerWaalsContact O-CA 3.25Å; Y528-G569 WeakPolarHBondContact O-CA 3.43Å; G569-V582 PolarHBondContact N-O 3.46Å; G569-V582 PolarHBondContact O-N 3.46Å
570I97.1Very high97.5Very high0 Ų028.1 Ų28.10%015%0.148CC..EExtended strand (participates in β ladder)trans-124131.2175-63.7-178.9000108.1Y528 L530 L541 F546 L547 F548 V580Y528-I570 WeakPolarHBondContact CD2-O 3.23Å; Y528-I570 PolarHBondContact N-O 2.81Å; Y528-I570 PolarHBondContact O-N 2.94Å; L530-I570 HydrophobicContact CD1-CG1 4.34Å; L541-I570 HydrophobicContact CD1-CD1 4.39Å; L541-I570 HydrophobicContact CD2-CG2 4.33Å; F546-I570 VanDerWaalsContact O-CD1 3.31Å; F546-I570 WeakPolarHBondContact O-CD1 3.29Å; L547-I570 HydrophobicContact CB-CD1 4.34Å; L547-I570 HydrophobicContact CD1-CD1 3.59Å; F548-I570 HydrophobicContact CD1-CD1 4.21Å; F548-I570 HydrophobicContact CD1-CG1 4.24Å; F548-I570 HydrophobicContact CE1-CD1 4.33Å; F548-I570 HydrophobicContact CE1-CG1 3.91Å; I570-V580 WeakPolarHBondContact CA-O 3.34Å
571F98Very high97.5Very high0 Ų029.9 Ų29.90%016%0.155CC..EExtended strand (participates in β ladder)trans-108141.9162.8176.9-93.3000109.2L516 L519 H523 T526 Y527 F578 L579 V580L516-F571 HydrophobicContact CB-CB 4.42Å; L516-F571 HydrophobicContact CB-CD2 3.8Å; L516-F571 HydrophobicContact CB-CE2 4.15Å; L516-F571 HydrophobicContact CB-CG 4.06Å; L516-F571 HydrophobicContact CD1-CB 3.75Å; L516-F571 HydrophobicContact CD1-CG 4.24Å; L516-F571 HydrophobicContact CD2-CD1 4.31Å; L516-F571 HydrophobicContact CD2-CG 4.35Å; L516-F571 HydrophobicContact CG-CB 4.47Å; L516-F571 HydrophobicContact CG-CG 4.44Å; L516-F571 VanDerWaalsContact O-CE2 3.32Å; L516-F571 WeakPolarHBondContact O-CE2 3.49Å; L519-F571 HydrophobicContact CB-CZ 4.34Å; L519-F571 HydrophobicContact CD1-CD1 4.47Å; L519-F571 HydrophobicContact CD1-CE1 3.69Å; L519-F571 HydrophobicContact CD1-CZ 3.83Å; H523-F571 WeakPolarHBondContact O-CE1 3.33Å; H523-F571 VanDerWaalsContact O-CZ 3.25Å; H523-F571 WeakPolarHBondContact O-CZ 3.3Å; T526-F571 WeakPolarHBondContact O-CA 3.19Å; T526-F571 VanDerWaalsContact O-CD2 3.3Å; T526-F571 WeakPolarHBondContact O-CD2 3.5Å; Y527-F571 HydrophobicContact CD2-CB 4.15Å; F571-F578 HydrophobicContact CD1-CD1 4.41Å; F571-F578 HydrophobicContact CD1-CE1 4.45Å; F571-F578 HydrophobicContact CE1-CD1 4.07Å; F571-F578 HydrophobicContact CE1-CE1 4.23Å; F571-L579 CarbonylContact O-C 3.6Å; F571-L579 WeakPolarHBondContact O-CA 3.49Å; F571-V580 HydrophobicContact CB-CB 4.21Å; F571-V580 HydrophobicContact CD1-CG2 4.36Å; F571-V580 PolarHBondContact N-O 3.32Å; F571-V580 PolarHBondContact O-N 3.24Å
572H97.8Very high97.5Very high16 Ų1628.8 Ų28.87%0.07415%0.151CC..EExtended strand (participates in β ladder)trans-146.4152.2160.963.376.7000111.6G525 T526 Y528 F578 L579G525-H572 WeakPolarHBondContact CA-O 3.47Å; T526-H572 PolarHBondContact N-O 3.45Å; T526-H572 PolarHBondContact O-N 2.99Å; Y528-H572 AromaticContact CE2-CD2 3.79Å; Y528-H572 AromaticContact CE2-CE1 3.84Å; Y528-H572 AromaticContact CE2-NE2 3.29Å; Y528-H572 VanDerWaalsContact CE2-NE2 3.29Å; Y528-H572 WeakPolarHBondContact CE2-NE2 3.48Å; Y528-H572 AromaticContact CZ-NE2 3.87Å; H572-F578 CarbonylContact C-O 3.54Å; H572-F578 VanDerWaalsContact CA-O 3.23Å; H572-F578 WeakPolarHBondContact CA-O 3.28Å; H572-L579 HydrophobicContact CB-CB 4.33Å; H572-L579 HydrophobicContact CB-CD2 4.05Å; H572-L579 HydrophobicContact CB-CG 3.78Å
573N98.3Very high97.6Very high1 Ų127.6 Ų27.61%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-69.2168.1169.773.4-14.5000111.3E522 A524 S575 K576 T577 F578E522-N573 WeakPolarHBondContact O-CB 3.18Å; E522-N573 PolarHBondContact O-ND2 3.44Å; A524-N573 VanDerWaalsContact O-CA 3.29Å; A524-N573 WeakPolarHBondContact O-CA 3.35Å; A524-N573 VanDerWaalsContact O-CB 3.31Å; A524-N573 WeakPolarHBondContact O-CB 3.2Å; N573-S575 PolarHBondContact O-N 3.07Å; N573-K576 PolarHBondContact O-N 3.25Å; N573-K576 WeakPolarHBondContact OD1-CA 3.33Å; N573-K576 PolarHBondContact OD1-N 3.03Å; N573-T577 PolarHBondContact ND2-OG1 3.37Å; N573-T577 PolarHBondContact OD1-N 2.76Å; N573-F578 HydrophobicContact CB-CB 4.46Å; N573-F578 PolarHBondContact N-O 3.36Å; N573-F578 PolarHBondContact OD1-N 2.71Å; N573-F578 PolarHBondContact OD1-O 2.83Å
574N95.3Very high97.6Very high133 Ų13325.5 Ų25.571%0.71113%0.134SC*.THydrogen-bonded Turntrans-59-36.2-177.3-63.8-28.4000112.8K576N574-K576 VanDerWaalsContact C-N 3.29Å; N574-K576 PolarHBondContact O-N 3.22Å
575S96.7Very high97.7Very high90 Ų9022.8 Ų22.863%0.62913%0.125SC*.THydrogen-bonded Turntrans-83.2-0.3-179.3-56.30000114.1N573 T577N573-S575 PolarHBondContact O-N 3.07Å; S575-T577 PolarHBondContact O-N 2.96Å
576K96.3Very high97.8Very high67 Ų6721.3 Ų21.329%0.29112%0.115SC..SBendtrans56.629.5-177.2-59.3174.5176.6-175.20113.3D544 F546 N573 N574D544-K576 IonicContact OD1-NZ 3.37Å; D544-K576 PolarHBondContact OD1-NZ 3.42Å; D544-K576 VanDerWaalsContact OD1-NZ 3.12Å; D544-K576 WeakPolarHBondContact OD2-CE 3.32Å; D544-K576 IonicContact OD2-NZ 3.31Å; D544-K576 PolarHBondContact OD2-NZ 2.71Å; F546-K576 HydrophobicContact CE2-CB 3.63Å; F546-K576 HydrophobicContact CE2-CD 3.76Å; F546-K576 HydrophobicContact CE2-CG 3.76Å; F546-K576 HydrophobicContact CZ-CB 3.79Å; F546-K576 HydrophobicContact CZ-CD 4.35Å; F546-K576 HydrophobicContact CZ-CG 4.39Å; N573-K576 PolarHBondContact O-N 3.25Å; N573-K576 WeakPolarHBondContact OD1-CA 3.33Å; N573-K576 PolarHBondContact OD1-N 3.03Å; N574-K576 VanDerWaalsContact C-N 3.29Å; N574-K576 PolarHBondContact O-N 3.22Å
577T98Very high97.8Very high25 Ų2520 Ų2015%0.15311%0.107CC..SBendtrans-104.6-10.9-179.657.50000113.7N573 S575 S592 M593 Q594 R605N573-T577 PolarHBondContact ND2-OG1 3.37Å; N573-T577 PolarHBondContact OD1-N 2.76Å; S575-T577 PolarHBondContact O-N 2.96Å; T577-S592 CarbonylContact O-C 3.52Å; T577-S592 WeakPolarHBondContact O-CA 3.24Å; T577-S592 PolarHBondContact O-OG 3.09Å; T577-M593 CarbonylContact C-O 3.42Å; T577-M593 WeakPolarHBondContact CA-O 3.43Å; T577-M593 WeakPolarHBondContact CB-O 3.37Å; T577-M593 WeakPolarHBondContact CG2-O 3.36Å; T577-M593 PolarHBondContact O-N 3.27Å; T577-M593 VanDerWaalsContact O-O 3.1Å; T577-Q594 HydrophobicContact CG2-CB 4.2Å; T577-R605 PolarHBondContact O-NE 3.08Å
578F98.7Very high97.9Very high0 Ų020 Ų200%011%0.107CC..EExtended strand (participates in β ladder)trans-135.5127.7171.4-179.1-97.2000109.2L519 H523 F571 H572 N573 V580 I590 I591 R605 I613L519-F578 HydrophobicContact CD1-CE1 3.96Å; H523-F578 AromaticContact CD2-CD1 3.9Å; H523-F578 AromaticContact CD2-CD2 3.8Å; H523-F578 AromaticContact CD2-CE2 3.96Å; H523-F578 AromaticContact CD2-CG 3.76Å; F571-F578 HydrophobicContact CD1-CD1 4.41Å; F571-F578 HydrophobicContact CD1-CE1 4.45Å; F571-F578 HydrophobicContact CE1-CD1 4.07Å; F571-F578 HydrophobicContact CE1-CE1 4.23Å; H572-F578 CarbonylContact C-O 3.54Å; H572-F578 VanDerWaalsContact CA-O 3.23Å; H572-F578 WeakPolarHBondContact CA-O 3.28Å; N573-F578 HydrophobicContact CB-CB 4.46Å; N573-F578 PolarHBondContact N-O 3.36Å; N573-F578 PolarHBondContact OD1-N 2.71Å; N573-F578 PolarHBondContact OD1-O 2.83Å; F578-V580 HydrophobicContact CE1-CG2 3.83Å; F578-V580 HydrophobicContact CZ-CG2 4.07Å; F578-I590 HydrophobicContact CE2-CG2 3.58Å; F578-I590 HydrophobicContact CZ-CG2 3.57Å; F578-I591 CarbonylContact C-O 3.51Å; F578-I591 WeakPolarHBondContact CA-O 3.26Å; F578-I591 WeakPolarHBondContact CD2-O 3.49Å; F578-R605 HydrophobicContact CB-CG 4.29Å; F578-R605 HydrophobicContact CD2-CG 4.31Å; F578-I613 HydrophobicContact CZ-CD1 4.12Å
579L98.4Very high97.9Very high2 Ų221.5 Ų21.51%0.0111%0.113CC..EExtended strand (participates in β ladder)trans-137.3150.4-174.7-52.290000111F546 F571 H572 I591 M593F546-L579 HydrophobicContact CB-CD2 4.06Å; F546-L579 HydrophobicContact CD1-CD2 3.56Å; F546-L579 HydrophobicContact CD2-CD2 3.47Å; F546-L579 VanDerWaalsContact CD2-CD2 3.47Å; F546-L579 HydrophobicContact CE1-CD2 3.78Å; F546-L579 HydrophobicContact CE2-CD2 3.67Å; F546-L579 HydrophobicContact CG-CD2 3.41Å; F546-L579 VanDerWaalsContact CG-CD2 3.41Å; F546-L579 HydrophobicContact CZ-CD2 3.84Å; F571-L579 CarbonylContact O-C 3.6Å; F571-L579 WeakPolarHBondContact O-CA 3.49Å; H572-L579 HydrophobicContact CB-CB 4.33Å; H572-L579 HydrophobicContact CB-CD2 4.05Å; H572-L579 HydrophobicContact CB-CG 3.78Å; L579-I591 HydrophobicContact CB-CB 4.27Å; L579-I591 HydrophobicContact CD1-CG2 4.38Å; L579-I591 PolarHBondContact N-O 3.33Å; L579-I591 PolarHBondContact O-N 3.34Å; L579-M593 HydrophobicContact CD1-CG 3.75Å; L579-M593 HydrophobicContact CD1-SD 3.92Å
580V98.6Very high98Very high0 Ų021.5 Ų21.50%011%0.113CC..EExtended strand (participates in β ladder)trans-133.4122.8171.3-173.60000109.4L516 I570 F571 F578 V582 M588 R589 I590 I613L516-V580 HydrophobicContact CD1-CB 4.13Å; L516-V580 HydrophobicContact CD1-CG1 4.15Å; L516-V580 HydrophobicContact CD2-CB 4.08Å; L516-V580 HydrophobicContact CD2-CG1 4.31Å; L516-V580 HydrophobicContact CD2-CG2 3.7Å; I570-V580 WeakPolarHBondContact CA-O 3.34Å; F571-V580 HydrophobicContact CB-CB 4.21Å; F571-V580 HydrophobicContact CD1-CG2 4.36Å; F571-V580 PolarHBondContact N-O 3.32Å; F571-V580 PolarHBondContact O-N 3.24Å; F578-V580 HydrophobicContact CE1-CG2 3.83Å; F578-V580 HydrophobicContact CZ-CG2 4.07Å; V580-V582 HydrophobicContact CG1-CG2 4.38Å; V580-M588 HydrophobicContact CG1-CB 4.24Å; V580-M588 HydrophobicContact CG1-CG 4.21Å; V580-R589 WeakPolarHBondContact CA-O 3.33Å; V580-I590 HydrophobicContact CG1-CG1 4.34Å; V580-I590 HydrophobicContact CG2-CG1 4.44Å; V580-I590 HydrophobicContact CG2-CG2 4.23Å; V580-I613 HydrophobicContact CG2-CD1 4.04Å
581W98.3Very high98Very high37 Ų3721.7 Ų21.714%0.1411%0.114CC..EExtended strand (participates in β ladder)trans-88.9130.9165-62.2-15000109.2F546 F548 E584 M588 R589 I591F546-W581 WeakPolarHBondContact O-CZ2 3.33Å; F546-W581 PolarHBondContact O-NE1 2.92Å; F548-W581 HydrophobicContact CB-CD2 4.44Å; F548-W581 HydrophobicContact CB-CE3 4.21Å; F548-W581 HydrophobicContact CB-CH2 4.26Å; F548-W581 HydrophobicContact CB-CZ2 4.46Å; F548-W581 HydrophobicContact CB-CZ3 4.11Å; F548-W581 HydrophobicContact CD1-CB 4.02Å; F548-W581 AromaticContact CD1-CD1 3.97Å; F548-W581 AromaticContact CD1-CD2 3.73Å; F548-W581 HydrophobicContact CD1-CD2 3.73Å; F548-W581 HydrophobicContact CD1-CE3 4.11Å; F548-W581 AromaticContact CD1-CG 3.68Å; F548-W581 HydrophobicContact CD1-CG 3.68Å; F548-W581 HydrophobicContact CE1-CB 3.86Å; F548-W581 HydrophobicContact CE1-CD2 4.46Å; F548-W581 AromaticContact CE1-CG 3.96Å; F548-W581 HydrophobicContact CE1-CG 3.96Å; F548-W581 HydrophobicContact CG-CD2 4.47Å; F548-W581 HydrophobicContact CG-CE3 4.45Å; W581-E584 HydrophobicContact CE3-CG 4.45Å; W581-M588 WeakPolarHBondContact O-CA 3.42Å; W581-R589 HydrophobicContact CB-CB 4.2Å; W581-R589 PolarHBondContact N-O 3.14Å; W581-R589 PolarHBondContact O-N 2.89Å; W581-I591 HydrophobicContact CD2-CD1 4.28Å; W581-I591 HydrophobicContact CG-CD1 4.48Å
582V98.6Very high98.1Very high0 Ų021.7 Ų21.70%011%0.114CC..EExtended strand (participates in β ladder)trans-105.1123.4-178.9-177.50000109.2I512 L516 Y527 R568 G569 V580 E584I512-V582 HydrophobicContact CB-CG1 4.3Å; I512-V582 HydrophobicContact CD1-CG1 3.99Å; I512-V582 HydrophobicContact CG2-CG1 4.12Å; I512-V582 HydrophobicContact CG2-CG2 3.68Å; L516-V582 HydrophobicContact CD1-CG2 3.94Å; Y527-V582 HydrophobicContact CE2-CB 4.31Å; Y527-V582 HydrophobicContact CE2-CG2 3.7Å; R568-V582 WeakPolarHBondContact CA-O 3.43Å; G569-V582 PolarHBondContact N-O 3.46Å; G569-V582 PolarHBondContact O-N 3.46Å; V580-V582 HydrophobicContact CG1-CG2 4.38Å; V582-E584 PolarHBondContact O-N 3.22Å
583C98.5Very high98.1Very high0 Ų023 Ų230%012%0.12CC..SBendtrans59.843.1169.9-156.30000115.6R505 L508 G567 R568 H587R505-C583 PolarHBondContact NH1-SG 2.93Å; L508-C583 HydrophobicContact CD2-CB 4.5Å; G567-C583 VanDerWaalsContact O-CB 3.31Å; G567-C583 WeakPolarHBondContact O-CB 3.43Å; R568-C583 WeakPolarHBondContact CD-O 3.09Å; R568-C583 HydrophobicContact CG-CB 4.47Å; R568-C583 WeakPolarHBondContact CG-O 3.27Å; R568-C583 PolarHBondContact NE-O 3.23Å; C583-H587 PolarHBondContact N-O 3.47Å
584E97.1Very high98Very high22 Ų2225.4 Ų25.410%0.10313%0.132CC..SBendtrans-86.4-96.8172.7-175.2-95.9150.300110.5P497 F548 L555 W581 V582 D586 R589P497-E584 VanDerWaalsContact CB-O 3.3Å; P497-E584 WeakPolarHBondContact CB-O 3.36Å; F548-E584 HydrophobicContact CB-CG 4.17Å; F548-E584 HydrophobicContact CD1-CB 4.46Å; F548-E584 HydrophobicContact CD1-CG 4.42Å; F548-E584 HydrophobicContact CD2-CB 4.03Å; F548-E584 HydrophobicContact CD2-CG 3.6Å; F548-E584 HydrophobicContact CE1-CB 4.38Å; F548-E584 HydrophobicContact CE2-CB 3.94Å; F548-E584 HydrophobicContact CE2-CG 4.01Å; F548-E584 HydrophobicContact CG-CB 4.29Å; F548-E584 HydrophobicContact CG-CG 3.83Å; F548-E584 HydrophobicContact CZ-CB 4.11Å; L555-E584 HydrophobicContact CD2-CG 4.37Å; L555-E584 WeakPolarHBondContact CD2-OE1 3.29Å; W581-E584 HydrophobicContact CE3-CG 4.45Å; V582-E584 PolarHBondContact O-N 3.22Å; E584-D586 PolarHBondContact N-O 3.32Å; E584-R589 IonicContact OE2-CZ 3.39Å; E584-R589 IonicContact OE2-NH1 3.75Å; E584-R589 PolarHBondContact OE2-NH1 2.83Å; E584-R589 IonicContact OE2-NH2 3.43Å
585E98Very high98.1Very high22 Ų2225.9 Ų25.910%0.10313%0.13CC..SBendtrans-88.9-40.9171.7-177.5-179.9-177.100111.9R426 P497 L555 R589 C630R426-E585 IonicContact CZ-OE1 2.95Å; R426-E585 IonicContact NE-OE1 2.56Å; R426-E585 PolarHBondContact NE-OE1 2.86Å; R426-E585 IonicContact NH2-OE1 3.74Å; P497-E585 WeakPolarHBondContact CD-O 3.46Å; P497-E585 WeakPolarHBondContact CG-O 3.27Å; L555-E585 HydrophobicContact CD1-CB 4.25Å; L555-E585 HydrophobicContact CD1-CG 4.22Å; L555-E585 HydrophobicContact CD2-CB 4.2Å; E585-R589 IonicContact OE2-NH2 3.28Å; E585-R589 PolarHBondContact OE2-NH2 3.03Å; E585-C630 WeakPolarHBondContact O-CB 3.36Å
586D98.7Very high98.1Very high4 Ų422.7 Ų22.72%0.02111%0.111CC..SBendtrans-110.3169.1173.2-63.9-62.2000109.8E584 M588 T629 C630E584-D586 PolarHBondContact N-O 3.32Å; D586-M588 VanDerWaalsContact C-N 3.26Å; D586-M588 PolarHBondContact O-N 2.93Å; D586-T629 VanDerWaalsContact OD1-CB 3.26Å; D586-T629 WeakPolarHBondContact OD1-CB 3.4Å; D586-C630 PolarHBondContact OD1-N 2.72Å
587H98.9Very high98.1Very high0 Ų019.6 Ų19.60%010%0.097CC..SBendtrans-58.9-40.9175.6-63.3165.8000111.5V491 F494 L495 F496 L508 I512 C583V491-H587 HydrophobicContact CG2-CB 4.28Å; V491-H587 PolarHBondContact N-ND1 2.89Å; V491-H587 PolarHBondContact O-ND1 2.94Å; F494-H587 WeakPolarHBondContact CB-CE1 3.23Å; F494-H587 PolarHBondContact O-CE1 3.44Å; L495-H587 PolarHBondContact O-NE2 3.49Å; F496-H587 AromaticContact CD1-CE1 3.83Å; F496-H587 AromaticContact CD1-NE2 3.7Å; L508-H587 HydrophobicContact CD1-CB 4.26Å; L508-H587 HydrophobicContact CD2-CB 3.91Å; L508-H587 VanDerWaalsContact CD2-CD2 3.42Å; L508-H587 WeakPolarHBondContact CD2-CD2 3.32Å; I512-H587 HydrophobicContact CD1-CB 4.31Å; C583-H587 PolarHBondContact N-O 3.47Å
588M98.8Very high98.2Very high0 Ų020.9 Ų20.90%010%0.103CC..EExtended strand (participates in β ladder)trans-137.4137.2174-68169-70.600111.5G488 R489 V491 I512 V580 W581 D586 I590 I613 M617 F619G488-M588 WeakPolarHBondContact CA-O 3.34Å; R489-M588 HydrophobicContact CB-CB 4.47Å; R489-M588 HydrophobicContact CB-CE 3.96Å; R489-M588 PolarHBondContact N-O 3.03Å; R489-M588 PolarHBondContact O-N 2.92Å; V491-M588 HydrophobicContact CG2-CE 3.68Å; I512-M588 HydrophobicContact CD1-CG 3.69Å; I512-M588 HydrophobicContact CD1-SD 4.14Å; I512-M588 HydrophobicContact CG1-CG 4.18Å; I512-M588 HydrophobicContact CG1-SD 3.99Å; I512-M588 HydrophobicContact CG2-CG 3.98Å; I512-M588 HydrophobicContact CG2-SD 3.93Å; V580-M588 HydrophobicContact CG1-CB 4.24Å; V580-M588 HydrophobicContact CG1-CG 4.21Å; W581-M588 WeakPolarHBondContact O-CA 3.42Å; D586-M588 VanDerWaalsContact C-N 3.26Å; D586-M588 PolarHBondContact O-N 2.93Å; M588-I590 HydrophobicContact CB-CG1 4.14Å; M588-I613 HydrophobicContact SD-CG2 3.88Å; M588-M617 HydrophobicContact CE-SD 3.61Å; M588-M617 HydrophobicContact SD-SD 3.95Å; M588-F619 HydrophobicContact CE-CD1 4.05Å; M588-F619 HydrophobicContact CE-CE1 3.56Å
589R98.5Very high98.2Very high32 Ų3220.9 Ų20.912%0.12110%0.103CC..EExtended strand (participates in β ladder)trans-112.4105.4159.1-173.1171.6-78163.4-0.6108.2V487 V580 W581 E584 E585 I591V487-R589 WeakPolarHBondContact O-CA 3.21Å; V580-R589 WeakPolarHBondContact CA-O 3.33Å; W581-R589 HydrophobicContact CB-CB 4.2Å; W581-R589 PolarHBondContact N-O 3.14Å; W581-R589 PolarHBondContact O-N 2.89Å; E584-R589 IonicContact OE2-CZ 3.39Å; E584-R589 IonicContact OE2-NH1 3.75Å; E584-R589 PolarHBondContact OE2-NH1 2.83Å; E584-R589 IonicContact OE2-NH2 3.43Å; E585-R589 IonicContact OE2-NH2 3.28Å; E585-R589 PolarHBondContact OE2-NH2 3.03Å; R589-I591 HydrophobicContact CG-CD1 4.15Å; R589-I591 HydrophobicContact CG-CG1 4.04Å
590I98.8Very high98.2Very high0 Ų021.8 Ų21.80%011%0.111CC..EExtended strand (participates in β ladder)trans-94.8124.5-176.6-51.4170.6000108R486 V487 R489 F578 V580 M588 L606 I610 I613R486-I590 CarbonylContact C-O 3.51Å; R486-I590 WeakPolarHBondContact CA-O 3.45Å; R486-I590 WeakPolarHBondContact CB-O 3.37Å; V487-I590 HydrophobicContact CG2-CB 3.93Å; V487-I590 HydrophobicContact CG2-CD1 4.32Å; V487-I590 HydrophobicContact CG2-CG1 4.46Å; V487-I590 PolarHBondContact N-O 2.64Å; V487-I590 PolarHBondContact O-N 3.36Å; R489-I590 HydrophobicContact CG-CD1 4.12Å; F578-I590 HydrophobicContact CE2-CG2 3.58Å; F578-I590 HydrophobicContact CZ-CG2 3.57Å; V580-I590 HydrophobicContact CG1-CG1 4.34Å; V580-I590 HydrophobicContact CG2-CG1 4.44Å; V580-I590 HydrophobicContact CG2-CG2 4.23Å; M588-I590 HydrophobicContact CB-CG1 4.14Å; I590-L606 HydrophobicContact CB-CD1 4.38Å; I590-L606 HydrophobicContact CG2-CD1 3.81Å; I590-I610 HydrophobicContact CB-CG1 4.49Å; I590-I610 HydrophobicContact CD1-CG1 3.99Å; I590-I610 HydrophobicContact CG2-CG1 4.1Å; I590-I613 HydrophobicContact CD1-CD1 3.99Å; I590-I613 HydrophobicContact CG1-CD1 4.3Å; I590-I613 HydrophobicContact CG2-CD1 4.38Å
591I98.6Very high98.2Very high4 Ų423.2 Ų23.22%0.02112%0.123CC..EExtended strand (participates in β ladder)trans-130.1133.6-166.2-55.4161.8000108.8R484 R486 F578 L579 W581 R589 M593R484-I591 HydrophobicContact CG-CG2 4.1Å; R486-I591 HydrophobicContact CB-CB 4.44Å; R486-I591 HydrophobicContact CB-CG1 3.9Å; F578-I591 CarbonylContact C-O 3.51Å; F578-I591 WeakPolarHBondContact CA-O 3.26Å; F578-I591 WeakPolarHBondContact CD2-O 3.49Å; L579-I591 HydrophobicContact CB-CB 4.27Å; L579-I591 HydrophobicContact CD1-CG2 4.38Å; L579-I591 PolarHBondContact N-O 3.33Å; L579-I591 PolarHBondContact O-N 3.34Å; W581-I591 HydrophobicContact CD2-CD1 4.28Å; W581-I591 HydrophobicContact CG-CD1 4.48Å; R589-I591 HydrophobicContact CG-CD1 4.15Å; R589-I591 HydrophobicContact CG-CG1 4.04Å; I591-M593 HydrophobicContact CG2-CE 4.12Å; I591-M593 HydrophobicContact CG2-CG 4.48Å
592S98.7Very high98.2Very high0 Ų021.5 Ų21.50%012%0.117CC..EExtended strand (participates in β ladder)trans-120.1137.1163.8-177.20000108.6R484 V485 T577 V602 R605R484-S592 CarbonylContact C-O 3.38Å; R484-S592 WeakPolarHBondContact CA-O 3.06Å; V485-S592 PolarHBondContact N-O 3.34Å; V485-S592 PolarHBondContact O-N 3.37Å; T577-S592 CarbonylContact O-C 3.52Å; T577-S592 WeakPolarHBondContact O-CA 3.24Å; T577-S592 PolarHBondContact O-OG 3.09Å; S592-V602 WeakPolarHBondContact CB-O 3.32Å; S592-V602 VanDerWaalsContact O-CG1 3.29Å; S592-V602 WeakPolarHBondContact O-CG1 3.37Å; S592-V602 PolarHBondContact OG-O 2.92Å; S592-R605 PolarHBondContact OG-NE 2.82Å; S592-R605 PolarHBondContact OG-NH2 3.04Å
593M97.8Very high98.2Very high43 Ų4321.5 Ų21.521%0.21212%0.117CC..EExtended strand (participates in β ladder)trans-153.7159.9177.753.9172.440.300112.4T483 R484 F546 T577 L579 I591 R605T483-M593 WeakPolarHBondContact O-CA 3.3Å; R484-M593 HydrophobicContact CB-CB 4.03Å; R484-M593 HydrophobicContact CB-CE 4.22Å; R484-M593 HydrophobicContact CG-CB 4.12Å; R484-M593 HydrophobicContact CG-CE 3.69Å; F546-M593 HydrophobicContact CE1-SD 3.87Å; F546-M593 HydrophobicContact CZ-SD 4.49Å; T577-M593 CarbonylContact C-O 3.42Å; T577-M593 WeakPolarHBondContact CA-O 3.43Å; T577-M593 WeakPolarHBondContact CB-O 3.37Å; T577-M593 WeakPolarHBondContact CG2-O 3.36Å; T577-M593 PolarHBondContact O-N 3.27Å; T577-M593 VanDerWaalsContact O-O 3.1Å; L579-M593 HydrophobicContact CD1-CG 3.75Å; L579-M593 HydrophobicContact CD1-SD 3.92Å; I591-M593 HydrophobicContact CG2-CE 4.12Å; I591-M593 HydrophobicContact CG2-CG 4.48Å; M593-R605 PolarHBondContact O-NH2 2.91Å
594Q97.2Very high98.2Very high53 Ų5325.2 Ų25.225%0.24813%0.133CC..EExtended strand (participates in β ladder)trans-163.4166.716664.1-167.665.500110.2S482 T483 T577 V602S482-Q594 WeakPolarHBondContact CA-O 3.37Å; S482-Q594 WeakPolarHBondContact CB-O 3.48Å; T483-Q594 PolarHBondContact N-O 3.24Å; T483-Q594 PolarHBondContact O-N 3.42Å; T577-Q594 HydrophobicContact CG2-CB 4.2Å; Q594-V602 HydrophobicContact CG-CG2 3.55Å
595Q96.1Very high98.3Very high143 Ų14324.5 Ų24.567%0.66813%0.129SC*.EExtended strand (participates in β ladder)trans-66150.8168.3-59.3-63.3-2400110.9V481V481-Q595 PolarHBondContact O-OE1 3.44Å
596G97.3Very high98.3Very high23 Ų2323.4 Ų23.424%0.23712%0.124CC..SBendtrans82.3-174.4-178.500000114.9I480 V481 S482 T483I480-G596 WeakPolarHBondContact CG2-O 3.24Å; V481-G596 PolarHBondContact O-N 3.08Å; S482-G596 CarbonylContact C-O 3.57Å; T483-G596 WeakPolarHBondContact CB-O 3.42Å; T483-G596 PolarHBondContact N-O 2.91Å; T483-G596 PolarHBondContact OG1-O 2.79Å
597G97.7Very high98.3Very high1 Ų123.3 Ų23.31%0.0112%0.124CC..SBendtrans-97.37-169.100000116.7D472 L473 T483 L599D472-G597 WeakPolarHBondContact OD1-CA 3.38Å; L473-G597 PolarHBondContact N-O 3.04Å; T483-G597 WeakPolarHBondContact OG1-CA 3.28Å; G597-L599 VanDerWaalsContact C-N 3.31Å; G597-L599 PolarHBondContact O-N 2.67Å
598N98.4Very high98.3Very high52 Ų5226.3 Ų26.328%0.27814%0.138SC..BIsolated β-bridgetrans-75.776.9-173.3-163.8-23.6000113.4D472 A600 A601 V602D472-N598 HydrophobicContact CB-CB 4.24Å; D472-N598 PolarHBondContact OD1-N 2.66Å; N598-A600 VanDerWaalsContact C-N 3.31Å; N598-A600 PolarHBondContact O-N 3.05Å; N598-A600 PolarHBondContact OD1-N 3.03Å; N598-A601 HydrophobicContact CB-CB 4.32Å; N598-A601 PolarHBondContact O-N 2.82Å; N598-A601 WeakPolarHBondContact OD1-CB 3.26Å; N598-A601 PolarHBondContact OD1-N 3.26Å; N598-V602 WeakPolarHBondContact O-CG2 3.37Å; N598-V602 PolarHBondContact O-N 3.37Å
599L98.6Very high98.3Very high0 Ų026.3 Ų26.30%014%0.138CC..Hα-helixtrans-61.2-37.6178.5178.561.4000112.3F470 G471 L473 T483 V485 G597 A601 V602 Y603 M702 A703F470-L599 HydrophobicContact CB-CD2 4.36Å; F470-L599 HydrophobicContact CD1-CD2 4.45Å; F470-L599 HydrophobicContact CD2-CB 4.3Å; F470-L599 HydrophobicContact CD2-CD2 3.81Å; F470-L599 HydrophobicContact CD2-CG 3.78Å; F470-L599 HydrophobicContact CE2-CD2 4.2Å; F470-L599 HydrophobicContact CE2-CG 3.96Å; F470-L599 HydrophobicContact CG-CD2 3.95Å; F470-L599 HydrophobicContact CG-CG 4.43Å; G471-L599 PolarHBondContact O-N 3.28Å; L473-L599 HydrophobicContact CD1-CB 4.24Å; L473-L599 HydrophobicContact CD1-CD2 4.13Å; L473-L599 HydrophobicContact CG-CB 4.33Å; T483-L599 HydrophobicContact CG2-CB 4.16Å; T483-L599 HydrophobicContact CG2-CD1 3.81Å; V485-L599 HydrophobicContact CG2-CD1 3.61Å; G597-L599 VanDerWaalsContact C-N 3.31Å; G597-L599 PolarHBondContact O-N 2.67Å; L599-A601 PolarHBondContact O-N 3.44Å; L599-V602 PolarHBondContact O-N 3.29Å; L599-Y603 WeakPolarHBondContact O-CB 3.19Å; L599-Y603 PolarHBondContact O-N 2.81Å; L599-M702 HydrophobicContact CD1-CE 3.66Å; L599-M702 HydrophobicContact CD2-CE 3.67Å; L599-M702 HydrophobicContact CG-CE 4.27Å; L599-A703 HydrophobicContact CD2-CB 3.75Å
600A98.5Very high98.3Very high21 Ų2124.9 Ų24.917%0.17413%0.133CC..Hα-helixtrans-59.2-46.8179.300000112.1L468 F470 G471 N598 K604L468-A600 HydrophobicContact CD1-CB 4.15Å; F470-A600 HydrophobicContact CD2-CB 4.41Å; F470-A600 WeakPolarHBondContact O-CB 3.29Å; G471-A600 PolarHBondContact O-N 3.11Å; N598-A600 VanDerWaalsContact C-N 3.31Å; N598-A600 PolarHBondContact O-N 3.05Å; N598-A600 PolarHBondContact OD1-N 3.03Å; A600-K604 VanDerWaalsContact O-CB 3.28Å; A600-K604 WeakPolarHBondContact O-CB 3.5Å; A600-K604 PolarHBondContact O-N 3.29Å
601A98.5Very high98.3Very high31 Ų3128.5 Ų28.526%0.25615%0.152SC..Hα-helixtrans-63.8-45.8177.500000111.8N598 L599 R605N598-A601 HydrophobicContact CB-CB 4.32Å; N598-A601 PolarHBondContact O-N 2.82Å; N598-A601 WeakPolarHBondContact OD1-CB 3.26Å; N598-A601 PolarHBondContact OD1-N 3.26Å; L599-A601 PolarHBondContact O-N 3.44Å; A601-R605 WeakPolarHBondContact O-CB 3.41Å; A601-R605 PolarHBondContact O-N 3.31Å
602V98.7Very high98.3Very high0 Ų029.9 Ų29.90%016%0.164CC..Hα-helixtrans-61-47.5178.3175.10000111.3T483 V485 S592 Q594 N598 L599 L606T483-V602 HydrophobicContact CG2-CB 4.34Å; T483-V602 HydrophobicContact CG2-CG2 4.15Å; V485-V602 HydrophobicContact CB-CG1 4.16Å; V485-V602 HydrophobicContact CG2-CG1 3.8Å; S592-V602 WeakPolarHBondContact CB-O 3.32Å; S592-V602 VanDerWaalsContact O-CG1 3.29Å; S592-V602 WeakPolarHBondContact O-CG1 3.37Å; S592-V602 PolarHBondContact OG-O 2.92Å; Q594-V602 HydrophobicContact CG-CG2 3.55Å; N598-V602 WeakPolarHBondContact O-CG2 3.37Å; N598-V602 PolarHBondContact O-N 3.37Å; L599-V602 PolarHBondContact O-N 3.29Å; V602-L606 PolarHBondContact O-N 3.3Å
603Y98.8Very high98.3Very high0 Ų029.9 Ų29.90%016%0.164CC..Hα-helixtrans-64.1-48.6-179.5-176.8-88.5000111.2F462 L465 L468 F470 L599 R605 L606 I607 M639 L696 A699F462-Y603 WeakPolarHBondContact CA-OH 3.36Å; F462-Y603 WeakPolarHBondContact O-CE1 3.05Å; F462-Y603 PolarHBondContact O-OH 3.07Å; L465-Y603 HydrophobicContact CD2-CD1 4.4Å; L465-Y603 HydrophobicContact CD2-CE1 4.12Å; L468-Y603 HydrophobicContact CD1-CD1 3.94Å; L468-Y603 HydrophobicContact CD2-CD1 3.95Å; L468-Y603 HydrophobicContact CD2-CE1 3.88Å; F470-Y603 HydrophobicContact CE2-CD1 4.28Å; F470-Y603 HydrophobicContact CE2-CD2 4.47Å; F470-Y603 AromaticContact CE2-CG 3.99Å; F470-Y603 HydrophobicContact CE2-CG 3.99Å; F470-Y603 HydrophobicContact CZ-CD1 4.08Å; F470-Y603 HydrophobicContact CZ-CD2 4.04Å; F470-Y603 HydrophobicContact CZ-CE1 4.4Å; F470-Y603 HydrophobicContact CZ-CE2 4.36Å; F470-Y603 AromaticContact CZ-CG 3.89Å; F470-Y603 HydrophobicContact CZ-CG 3.89Å; L599-Y603 WeakPolarHBondContact O-CB 3.19Å; L599-Y603 PolarHBondContact O-N 2.81Å; Y603-R605 PolarHBondContact O-N 3.48Å; Y603-L606 WeakPolarHBondContact O-CB 3.42Å; Y603-L606 PolarHBondContact O-N 2.93Å; Y603-L606 VanDerWaalsContact O-N 3.08Å; Y603-I607 HydrophobicContact CD1-CG1 3.94Å; Y603-I607 HydrophobicContact CE1-CD1 4.2Å; Y603-I607 HydrophobicContact CE1-CG1 3.59Å; Y603-I607 HydrophobicContact CE2-CD1 4.32Å; Y603-I607 WeakPolarHBondContact O-CG1 3.4Å; Y603-I607 PolarHBondContact O-N 2.84Å; Y603-M639 HydrophobicContact CD2-CE 4.39Å; Y603-M639 HydrophobicContact CD2-SD 4.35Å; Y603-M639 HydrophobicContact CE2-CE 3.73Å; Y603-M639 HydrophobicContact CE2-SD 3.78Å; Y603-L696 PolarHBondContact OH-N 2.7Å; Y603-A699 HydrophobicContact CD2-CB 3.73Å; Y603-A699 HydrophobicContact CE2-CB 3.68Å
604K98.8Very high98.3Very high79 Ų7929.3 Ų29.334%0.34317%0.169SC..Hα-helixtrans-55.5-50.6177.4177.6173.5179.7-65.10111.7L465 A600 L606 I607 E608L465-K604 HydrophobicContact CB-CG 4.26Å; A600-K604 VanDerWaalsContact O-CB 3.28Å; A600-K604 WeakPolarHBondContact O-CB 3.5Å; A600-K604 PolarHBondContact O-N 3.29Å; K604-L606 VanDerWaalsContact C-N 3.28Å; K604-L606 PolarHBondContact O-N 3.2Å; K604-I607 PolarHBondContact O-N 3.19Å; K604-E608 VanDerWaalsContact CE-OE1 3.28Å; K604-E608 WeakPolarHBondContact CE-OE1 3.19Å; K604-E608 IonicContact NZ-OE1 2.69Å; K604-E608 PolarHBondContact NZ-OE1 3.48Å; K604-E608 IonicContact NZ-OE2 3.94Å; K604-E608 PolarHBondContact NZ-OE2 3.47Å; K604-E608 WeakPolarHBondContact O-CG 3.31Å; K604-E608 PolarHBondContact O-N 3.26Å
605R98.8Very high98.3Very high6 Ų635.4 Ų35.42%0.02319%0.194CC..Hα-helixtrans-58.8-39176.5177.5172.456-100-1.3112E522 H523 T577 F578 S592 M593 A601 Y603 G609E522-R605 WeakPolarHBondContact OE1-CD 3.36Å; E522-R605 IonicContact OE1-CZ 2.74Å; E522-R605 IonicContact OE1-NE 3.35Å; E522-R605 IonicContact OE1-NH1 3.39Å; E522-R605 PolarHBondContact OE1-NH1 2.75Å; H523-R605 PolarHBondContact NE2-O 2.93Å; T577-R605 PolarHBondContact O-NE 3.08Å; F578-R605 HydrophobicContact CB-CG 4.29Å; F578-R605 HydrophobicContact CD2-CG 4.31Å; S592-R605 PolarHBondContact OG-NE 2.82Å; S592-R605 PolarHBondContact OG-NH2 3.04Å; M593-R605 PolarHBondContact O-NH2 2.91Å; A601-R605 WeakPolarHBondContact O-CB 3.41Å; A601-R605 PolarHBondContact O-N 3.31Å; Y603-R605 PolarHBondContact O-N 3.48Å; R605-G609 PolarHBondContact O-N 3.15Å; R605-G609 VanDerWaalsContact O-N 3.1Å
606L98.8Very high98.4Very high0 Ų032.3 Ų32.30%019%0.189CC..Hα-helixtrans-61.3-51.6176.3-179.864.5000111.4V485 V487 I590 V602 Y603 K604 E608 G609 I610 M639V485-L606 HydrophobicContact CB-CD2 3.76Å; V485-L606 HydrophobicContact CG1-CD2 3.38Å; V487-L606 HydrophobicContact CG1-CD2 4.43Å; I590-L606 HydrophobicContact CB-CD1 4.38Å; I590-L606 HydrophobicContact CG2-CD1 3.81Å; V602-L606 PolarHBondContact O-N 3.3Å; Y603-L606 WeakPolarHBondContact O-CB 3.42Å; Y603-L606 PolarHBondContact O-N 2.93Å; Y603-L606 VanDerWaalsContact O-N 3.08Å; K604-L606 VanDerWaalsContact C-N 3.28Å; K604-L606 PolarHBondContact O-N 3.2Å; L606-E608 PolarHBondContact O-N 3.27Å; L606-G609 PolarHBondContact O-N 3.03Å; L606-I610 HydrophobicContact CD1-CD1 4.04Å; L606-I610 HydrophobicContact CD1-CG1 4.25Å; L606-I610 HydrophobicContact CD2-CD1 4.32Å; L606-I610 HydrophobicContact CG-CD1 3.74Å; L606-I610 HydrophobicContact CG-CG1 4.36Å; L606-I610 VanDerWaalsContact O-CG1 3.31Å; L606-I610 WeakPolarHBondContact O-CG1 3.26Å; L606-I610 PolarHBondContact O-N 3.47Å; L606-M639 HydrophobicContact CD2-CE 4.22Å
607I98.7Very high98.4Very high1 Ų132.1 Ų32.11%0.00518%0.182CC..Hα-helixtrans-64.4-42.3-175.5-58.4-47.6000111.2F462 L465 Y603 K604 G609 I610 N611 M639F462-I607 HydrophobicContact CB-CD1 4.27Å; F462-I607 HydrophobicContact CB-CG1 4.16Å; F462-I607 HydrophobicContact CB-CG2 3.74Å; F462-I607 HydrophobicContact CD1-CD1 3.62Å; F462-I607 HydrophobicContact CD1-CG1 4.41Å; F462-I607 HydrophobicContact CD1-CG2 4.33Å; F462-I607 HydrophobicContact CD2-CG2 3.59Å; F462-I607 HydrophobicContact CE1-CD1 4.16Å; F462-I607 HydrophobicContact CE2-CG2 4.27Å; F462-I607 HydrophobicContact CG-CD1 3.99Å; F462-I607 HydrophobicContact CG-CG1 4.3Å; F462-I607 HydrophobicContact CG-CG2 3.62Å; L465-I607 HydrophobicContact CD1-CB 4.13Å; L465-I607 HydrophobicContact CD1-CG2 3.95Å; L465-I607 HydrophobicContact CD2-CB 4.01Å; L465-I607 HydrophobicContact CD2-CG1 4.08Å; L465-I607 HydrophobicContact CD2-CG2 4.07Å; Y603-I607 HydrophobicContact CD1-CG1 3.94Å; Y603-I607 HydrophobicContact CE1-CD1 4.2Å; Y603-I607 HydrophobicContact CE1-CG1 3.59Å; Y603-I607 HydrophobicContact CE2-CD1 4.32Å; Y603-I607 WeakPolarHBondContact O-CG1 3.4Å; Y603-I607 PolarHBondContact O-N 2.84Å; K604-I607 PolarHBondContact O-N 3.19Å; I607-G609 VanDerWaalsContact C-N 3.3Å; I607-G609 PolarHBondContact O-N 2.82Å; I607-I610 HydrophobicContact CD1-CD1 4.22Å; I607-I610 PolarHBondContact O-N 3.06Å; I607-N611 WeakPolarHBondContact O-CB 3.36Å; I607-N611 VanDerWaalsContact O-CG 3.28Å; I607-N611 PolarHBondContact O-N 3.2Å; I607-N611 PolarHBondContact O-ND2 2.93Å; I607-M639 HydrophobicContact CD1-CE 4.16Å
608E98.7Very high98.4Very high64 Ų6439.1 Ų39.130%0.29921%0.212SC..Hα-helixtrans-59.2-43.1175.3-72171.4164.700111.6L465 H523 K604 L606 N611 A612L465-E608 HydrophobicContact CD1-CG 4.07Å; H523-E608 IonicContact CE1-OE2 3.92Å; K604-E608 VanDerWaalsContact CE-OE1 3.28Å; K604-E608 WeakPolarHBondContact CE-OE1 3.19Å; K604-E608 IonicContact NZ-OE1 2.69Å; K604-E608 PolarHBondContact NZ-OE1 3.48Å; K604-E608 IonicContact NZ-OE2 3.94Å; K604-E608 PolarHBondContact NZ-OE2 3.47Å; K604-E608 WeakPolarHBondContact O-CG 3.31Å; K604-E608 PolarHBondContact O-N 3.26Å; L606-E608 PolarHBondContact O-N 3.27Å; E608-N611 PolarHBondContact O-N 3.36Å; E608-A612 WeakPolarHBondContact O-CB 3.41Å; E608-A612 PolarHBondContact O-N 3.4Å
609G98.6Very high98.4Very high0 Ų037.9 Ų37.90%020%0.204CC..Hα-helixtrans-65.7-43.8176.700000113.2H523 R605 L606 I607 N611 A612 I613H523-G609 PolarHBondContact NE2-N 3.03Å; R605-G609 PolarHBondContact O-N 3.15Å; R605-G609 VanDerWaalsContact O-N 3.1Å; L606-G609 PolarHBondContact O-N 3.03Å; I607-G609 VanDerWaalsContact C-N 3.3Å; I607-G609 PolarHBondContact O-N 2.82Å; G609-N611 VanDerWaalsContact C-N 3.34Å; G609-N611 PolarHBondContact O-N 3.04Å; G609-A612 PolarHBondContact O-N 3.33Å; G609-I613 VanDerWaalsContact O-CG1 3.31Å; G609-I613 WeakPolarHBondContact O-CG1 3.41Å; G609-I613 PolarHBondContact O-N 2.9Å
610I98.6Very high98.4Very high2 Ų238.2 Ų38.21%0.0121%0.207CC..Hα-helixtrans-58.6-48.1175.3-67.3165000110.2V487 I590 L606 I607 A612 I613 G614 F619V487-I610 HydrophobicContact CB-CD1 4.48Å; V487-I610 HydrophobicContact CG1-CD1 4.15Å; V487-I610 HydrophobicContact CG2-CD1 3.51Å; V487-I610 HydrophobicContact CG2-CG1 3.93Å; I590-I610 HydrophobicContact CB-CG1 4.49Å; I590-I610 HydrophobicContact CD1-CG1 3.99Å; I590-I610 HydrophobicContact CG2-CG1 4.1Å; L606-I610 HydrophobicContact CD1-CD1 4.04Å; L606-I610 HydrophobicContact CD1-CG1 4.25Å; L606-I610 HydrophobicContact CD2-CD1 4.32Å; L606-I610 HydrophobicContact CG-CD1 3.74Å; L606-I610 HydrophobicContact CG-CG1 4.36Å; L606-I610 VanDerWaalsContact O-CG1 3.31Å; L606-I610 WeakPolarHBondContact O-CG1 3.26Å; L606-I610 PolarHBondContact O-N 3.47Å; I607-I610 HydrophobicContact CD1-CD1 4.22Å; I607-I610 PolarHBondContact O-N 3.06Å; I610-A612 VanDerWaalsContact C-N 3.32Å; I610-A612 PolarHBondContact O-N 3.11Å; I610-I613 PolarHBondContact O-N 2.76Å; I610-G614 PolarHBondContact O-N 3.33Å; I610-F619 HydrophobicContact CG2-CE2 3.88Å
611N98.3Very high98.4Very high76 Ų7640.5 Ų40.541%0.40621%0.214SC..Hα-helixtrans-64.8-37-179.4-71.8-19.5000111.9I607 E608 G609 K615I607-N611 WeakPolarHBondContact O-CB 3.36Å; I607-N611 VanDerWaalsContact O-CG 3.28Å; I607-N611 PolarHBondContact O-N 3.2Å; I607-N611 PolarHBondContact O-ND2 2.93Å; E608-N611 PolarHBondContact O-N 3.36Å; G609-N611 VanDerWaalsContact C-N 3.34Å; G609-N611 PolarHBondContact O-N 3.04Å; N611-K615 WeakPolarHBondContact O-CG 3.42Å; N611-K615 PolarHBondContact O-N 3.07Å
612A98.6Very high98.4Very high33 Ų3340.7 Ų40.727%0.27321%0.213SC..Hα-helixtrans-65.4-45.9176.300000111.9L519 E608 G609 I610 K615L519-A612 HydrophobicContact CD2-CB 3.49Å; L519-A612 VanDerWaalsContact CD2-CB 3.49Å; E608-A612 WeakPolarHBondContact O-CB 3.41Å; E608-A612 PolarHBondContact O-N 3.4Å; G609-A612 PolarHBondContact O-N 3.33Å; I610-A612 VanDerWaalsContact C-N 3.32Å; I610-A612 PolarHBondContact O-N 3.11Å; A612-K615 WeakPolarHBondContact O-CB 3.43Å; A612-K615 PolarHBondContact O-N 3.46Å
613I98.5Very high98.2Very high0 Ų046.2 Ų46.20%024%0.243CC..Hα-helixtrans-64.5-43177.2-65.4165000110.9L516 L519 F578 V580 M588 I590 G609 I610 K615 S616 M617 F619L516-I613 HydrophobicContact CD2-CD1 3.67Å; L516-I613 HydrophobicContact CD2-CG1 3.93Å; L519-I613 HydrophobicContact CD1-CG1 4.41Å; L519-I613 HydrophobicContact CD2-CG1 4.32Å; F578-I613 HydrophobicContact CZ-CD1 4.12Å; V580-I613 HydrophobicContact CG2-CD1 4.04Å; M588-I613 HydrophobicContact SD-CG2 3.88Å; I590-I613 HydrophobicContact CD1-CD1 3.99Å; I590-I613 HydrophobicContact CG1-CD1 4.3Å; I590-I613 HydrophobicContact CG2-CD1 4.38Å; G609-I613 VanDerWaalsContact O-CG1 3.31Å; G609-I613 WeakPolarHBondContact O-CG1 3.41Å; G609-I613 PolarHBondContact O-N 2.9Å; I610-I613 PolarHBondContact O-N 2.76Å; I613-K615 PolarHBondContact O-N 2.85Å; I613-K615 VanDerWaalsContact O-N 3.08Å; I613-S616 PolarHBondContact O-N 2.83Å; I613-M617 HydrophobicContact CG2-CE 3.96Å; I613-M617 HydrophobicContact CG2-SD 4.1Å; I613-F619 HydrophobicContact CG2-CE1 4.35Å; I613-F619 HydrophobicContact CG2-CZ 4.18Å
614G97.6Very high98.1Very high30 Ų3049 Ų4931%0.30926%0.255SS..THydrogen-bonded Turntrans-64.8-9.9-179.200000114.9I610 S616 M617I610-G614 PolarHBondContact O-N 3.33Å; G614-S616 VanDerWaalsContact C-N 3.29Å; G614-M617 CarbonylContact C-O 3.55Å
615K97.8Very high98Very high182 Ų18245.7 Ų45.779%0.79124%0.24SC*.THydrogen-bonded Turntrans-70.5-26.3171-71.4175.2-178.4-1790112.8N611 A612 I613N611-K615 WeakPolarHBondContact O-CG 3.42Å; N611-K615 PolarHBondContact O-N 3.07Å; A612-K615 WeakPolarHBondContact O-CB 3.43Å; A612-K615 PolarHBondContact O-N 3.46Å; I613-K615 PolarHBondContact O-N 2.85Å; I613-K615 VanDerWaalsContact O-N 3.08Å
616S97.5Very high97.9Very high78 Ų7845.4 Ų45.455%0.54524%0.239SC..SBendtrans-99.7-8.8-174.8-610000113.6I613 G614I613-S616 PolarHBondContact O-N 2.83Å; G614-S616 VanDerWaalsContact C-N 3.29Å
617M97.6Very high97.9Very high18 Ų1846.5 Ų46.59%0.08924%0.244CC..SBendtrans-158.5152.9-177.265.7-164.774.700111.5V491 V511 I512 A515 M588 I613 G614 F619V491-M617 HydrophobicContact CG1-CB 4.19Å; V491-M617 HydrophobicContact CG2-CG 4.46Å; V491-M617 HydrophobicContact CG2-SD 3.61Å; V511-M617 HydrophobicContact CG1-CB 4.26Å; V511-M617 HydrophobicContact CG1-CE 4Å; V511-M617 HydrophobicContact CG1-SD 4.5Å; I512-M617 HydrophobicContact CG1-CE 4.22Å; I512-M617 HydrophobicContact CG1-SD 4.16Å; A515-M617 HydrophobicContact CB-CE 3.62Å; M588-M617 HydrophobicContact CE-SD 3.61Å; M588-M617 HydrophobicContact SD-SD 3.95Å; I613-M617 HydrophobicContact CG2-CE 3.96Å; I613-M617 HydrophobicContact CG2-SD 4.1Å; G614-M617 CarbonylContact C-O 3.55Å; M617-F619 HydrophobicContact CG-CD1 4.39Å; M617-F619 HydrophobicContact CG-CE1 3.94Å; M617-F619 HydrophobicContact SD-CE1 4.27Å
618K98.4Very high97.9Very high148 Ų14846.8 Ų46.864%0.64325%0.245SC*.PPolyproline II helixtrans-89.9135.3173.4-66.2-179.9180178.30110.6E492E492-K618 HydrophobicContact CB-CB 4.46Å; E492-K618 HydrophobicContact CG-CB 4.03Å; E492-K618 PolarHBondContact N-O 2.9Å; E492-K618 VanDerWaalsContact N-O 3.1Å; E492-K618 VanDerWaalsContact OE2-CB 3.25Å; E492-K618 WeakPolarHBondContact OE2-CB 3.42Å; E492-K618 WeakPolarHBondContact OE2-CD 3.46Å
619F98.6Very high97.9Very high26 Ų2643.7 Ų43.711%0.11423%0.231CC..BIsolated β-bridgetrans-89.8132.8174.4-58.4-39.8000110.3R489 S490 M588 I610 I613 M617 H621 Y627R489-F619 HydrophobicContact CB-CD1 3.94Å; R489-F619 HydrophobicContact CB-CE1 4.14Å; R489-F619 HydrophobicContact CB-CG 4.33Å; R489-F619 HydrophobicContact CG-CD1 4.21Å; R489-F619 HydrophobicContact CG-CD2 4.28Å; R489-F619 HydrophobicContact CG-CE1 4.27Å; R489-F619 HydrophobicContact CG-CE2 4.33Å; R489-F619 HydrophobicContact CG-CG 4.23Å; R489-F619 HydrophobicContact CG-CZ 4.32Å; S490-F619 CarbonylContact O-C 3.54Å; S490-F619 VanDerWaalsContact O-CA 3.29Å; S490-F619 WeakPolarHBondContact O-CA 3.47Å; M588-F619 HydrophobicContact CE-CD1 4.05Å; M588-F619 HydrophobicContact CE-CE1 3.56Å; I610-F619 HydrophobicContact CG2-CE2 3.88Å; I613-F619 HydrophobicContact CG2-CE1 4.35Å; I613-F619 HydrophobicContact CG2-CZ 4.18Å; M617-F619 HydrophobicContact CG-CD1 4.39Å; M617-F619 HydrophobicContact CG-CE1 3.94Å; M617-F619 HydrophobicContact SD-CE1 4.27Å; F619-H621 PolarHBondContact O-N 3.14Å; F619-Y627 HydrophobicContact CB-CD1 4.01Å; F619-Y627 HydrophobicContact CB-CE1 3.86Å; F619-Y627 HydrophobicContact CD2-CE1 4.03Å; F619-Y627 HydrophobicContact CG-CE1 4.4Å
620A98.4Very high97.9Very high7 Ų743.7 Ų43.76%0.05823%0.231CC..PPolyproline II helixtrans-59.7123174.600000110.4A430 S490 E492 I628A430-A620 HydrophobicContact CB-CB 4.33Å; S490-A620 PolarHBondContact O-N 2.84Å; E492-A620 HydrophobicContact CG-CB 4.42Å; A620-I628 HydrophobicContact CB-CB 4.15Å; A620-I628 PolarHBondContact O-N 3.35Å
621H98.3Very high97.9Very high69 Ų6943.6 Ų43.632%0.31923%0.23SC..EExtended strand (participates in β ladder)trans-143.1148.2-175.6-173.3-83.7000110.4F619 G626 Y627F619-H621 PolarHBondContact O-N 3.14Å; H621-G626 CarbonylContact C-O 3.56Å; H621-G626 WeakPolarHBondContact CA-O 3.44Å; H621-G626 WeakPolarHBondContact NE2-CA 3.41Å; H621-Y627 HydrophobicContact CB-CD1 4.49Å; H621-Y627 AromaticContact CD2-CD1 3.93Å; H621-Y627 PolarHBondContact CD2-N 2.93Å
622S97.2Very high97.9Very high35 Ų3540 Ų4025%0.24521%0.211CC..EExtended strand (participates in β ladder)trans-134.9151.417174.60000111.3K624 Y625 G626 I628S622-K624 PolarHBondContact O-N 3.34Å; S622-Y625 WeakPolarHBondContact OG-CB 3.33Å; S622-Y625 PolarHBondContact OG-N 3.12Å; S622-G626 PolarHBondContact N-O 2.95Å; S622-G626 VanDerWaalsContact O-CA 3.32Å; S622-G626 WeakPolarHBondContact O-CA 3.42Å; S622-G626 PolarHBondContact O-N 3.2Å; S622-I628 WeakPolarHBondContact OG-CD1 3.2Å
623D95.6Very high97.8Very high116 Ų11639.3 Ų39.362%0.6220%0.204SC*.THydrogen-bonded Turntrans-60.7-34.4176.5-69.80.2000112.7H457H457-D623 PolarHBondContact N-O 3.31Å
624K95.6Very high97.7Very high60 Ų6039.8 Ų39.826%0.26121%0.206SC..THydrogen-bonded Turntrans-78.7-45.3-177-164.9173-175.5-1730112.1D441 H457 S622D441-K624 WeakPolarHBondContact OD1-CE 3.43Å; D441-K624 IonicContact OD1-NZ 2.65Å; D441-K624 PolarHBondContact OD1-NZ 2.87Å; D441-K624 IonicContact OD2-NZ 3.4Å; D441-K624 PolarHBondContact OD2-NZ 3.38Å; H457-K624 PolarHBondContact N-O 2.99Å; S622-K624 PolarHBondContact O-N 3.34Å
625Y97.2Very high97.7Very high9 Ų938.3 Ų38.34%0.03519%0.192CC..THydrogen-bonded Turntrans-112.72.3-169.1-52-54.5000114.8Y433 D441 I444 S622 I628 L635 G636 L691Y433-Y625 HydrophobicContact CD1-CD2 4.28Å; Y433-Y625 HydrophobicContact CD1-CE2 4.31Å; Y433-Y625 HydrophobicContact CG-CD2 4.4Å; D441-Y625 WeakPolarHBondContact CB-OH 3.29Å; D441-Y625 WeakPolarHBondContact OD1-CE1 3.44Å; D441-Y625 PolarHBondContact OD1-OH 3.35Å; I444-Y625 HydrophobicContact CD1-CD1 4.08Å; I444-Y625 HydrophobicContact CD1-CE1 3.73Å; I444-Y625 HydrophobicContact CD1-CE2 4.4Å; I444-Y625 HydrophobicContact CG2-CD1 4.07Å; I444-Y625 HydrophobicContact CG2-CE1 4.06Å; S622-Y625 WeakPolarHBondContact OG-CB 3.33Å; S622-Y625 PolarHBondContact OG-N 3.12Å; Y625-I628 HydrophobicContact CD2-CD1 4.49Å; Y625-L635 HydrophobicContact CD1-CD1 4.46Å; Y625-L635 HydrophobicContact CG-CD1 4.31Å; Y625-G636 WeakPolarHBondContact O-CA 3.43Å; Y625-G636 PolarHBondContact O-N 2.9Å; Y625-L691 WeakPolarHBondContact O-CD1 3.28Å
626G97.9Very high97.7Very high0 Ų029.7 Ų29.70%015%0.154CC..EExtended strand (participates in β ladder)trans67.4-141.8-176.600000112.3H457 H621 S622 I628H457-G626 VanDerWaalsContact CD2-CA 3.45Å; H457-G626 WeakPolarHBondContact CD2-CA 3.37Å; H621-G626 CarbonylContact C-O 3.56Å; H621-G626 WeakPolarHBondContact CA-O 3.44Å; H621-G626 WeakPolarHBondContact NE2-CA 3.41Å; S622-G626 PolarHBondContact N-O 2.95Å; S622-G626 VanDerWaalsContact O-CA 3.32Å; S622-G626 WeakPolarHBondContact O-CA 3.42Å; S622-G626 PolarHBondContact O-N 3.2Å; G626-I628 PolarHBondContact O-N 2.93Å
627Y98.7Very high97.8Very high23 Ų2326 Ų269%0.0913%0.128CC..EExtended strand (participates in β ladder)trans-64.8128.3175-68.8-73.8000111.3P460 R489 F619 H621 G636P460-Y627 HydrophobicContact CB-CE2 4.2Å; P460-Y627 HydrophobicContact CG-CE2 3.86Å; P460-Y627 WeakPolarHBondContact CG-OH 3.25Å; R489-Y627 VanDerWaalsContact CZ-CE2 3.49Å; R489-Y627 VanDerWaalsContact CZ-CG 3.5Å; R489-Y627 VanDerWaalsContact NH2-CD2 3.28Å; F619-Y627 HydrophobicContact CB-CD1 4.01Å; F619-Y627 HydrophobicContact CB-CE1 3.86Å; F619-Y627 HydrophobicContact CD2-CE1 4.03Å; F619-Y627 HydrophobicContact CG-CE1 4.4Å; H621-Y627 HydrophobicContact CB-CD1 4.49Å; H621-Y627 AromaticContact CD2-CD1 3.93Å; H621-Y627 PolarHBondContact CD2-N 2.93Å; Y627-G636 WeakPolarHBondContact CB-O 3.45Å; Y627-G636 WeakPolarHBondContact CD2-O 3.33Å; Y627-G636 PolarHBondContact N-O 3.26Å
628I98.8Very high97.8Very high6 Ų625.1 Ų25.13%0.03112%0.124CC..  trans-87.5137.7-176.8-52.6-58.5000110.3A430 Y433 S490 F496 A620 S622 Y625 G626 L635A430-I628 HydrophobicContact CB-CB 4.4Å; A430-I628 HydrophobicContact CB-CG2 3.9Å; Y433-I628 HydrophobicContact CD2-CG2 3.5Å; Y433-I628 HydrophobicContact CE2-CG2 3.42Å; Y433-I628 VanDerWaalsContact CE2-CG2 3.42Å; S490-I628 WeakPolarHBondContact CB-O 3.28Å; S490-I628 PolarHBondContact OG-O 3.37Å; F496-I628 HydrophobicContact CE2-CG2 4.44Å; F496-I628 HydrophobicContact CZ-CG2 3.96Å; A620-I628 HydrophobicContact CB-CB 4.15Å; A620-I628 PolarHBondContact O-N 3.35Å; S622-I628 WeakPolarHBondContact OG-CD1 3.2Å; Y625-I628 HydrophobicContact CD2-CD1 4.49Å; G626-I628 PolarHBondContact O-N 2.93Å; I628-L635 HydrophobicContact CD1-CD2 4.15Å; I628-L635 HydrophobicContact CG2-CD2 4.48Å
629T98.8Very high97.8Very high0 Ų018 Ų180%09%0.093CC..  trans-137.5169-179.550.10000111.2Y433 F496 D586 C631 N634 L635 S638Y433-T629 WeakPolarHBondContact CE2-O 3.35Å; Y433-T629 PolarHBondContact OH-O 3.01Å; F496-T629 WeakPolarHBondContact CE2-O 3.21Å; D586-T629 VanDerWaalsContact OD1-CB 3.26Å; D586-T629 WeakPolarHBondContact OD1-CB 3.4Å; T629-C631 PolarHBondContact OG1-O 3.48Å; T629-N634 HydrophobicContact CG2-CB 4.12Å; T629-N634 WeakPolarHBondContact CG2-O 3.3Å; T629-N634 WeakPolarHBondContact OG1-CB 3.31Å; T629-N634 PolarHBondContact OG1-O 3.01Å; T629-N634 VanDerWaalsContact OG1-O 3.07Å; T629-L635 PolarHBondContact OG1-N 2.98Å; T629-S638 WeakPolarHBondContact CG2-OG 3.25Å
630C98.7Very high97.8Very high0 Ų017.6 Ų17.60%09%0.09CC..SBendtrans-64.2-45.6179.4176.90000112.6T427 F496 T498 E585 D586T427-C630 PolarHBondContact N-O 2.91Å; T427-C630 PolarHBondContact O-SG 2.93Å; T427-C630 PolarHBondContact OG1-O 3.12Å; T427-C630 VanDerWaalsContact OG1-O 3.08Å; F496-C630 HydrophobicContact CD2-CB 3.96Å; F496-C630 HydrophobicContact CG-CB 4.47Å; T498-C630 WeakPolarHBondContact CG2-SG 3.38Å; E585-C630 WeakPolarHBondContact O-CB 3.36Å; D586-C630 PolarHBondContact OD1-N 2.72Å
631C98.5Very high97.8Very high0 Ų017.2 Ų17.20%09%0.088CC..SBendtrans-94.9130.1177.6-1720000110.8R426 T629 S633 N634R426-C631 PolarHBondContact NH1-SG 3.46Å; R426-C631 VanDerWaalsContact NH1-SG 3.39Å; T629-C631 PolarHBondContact OG1-O 3.48Å; C631-S633 PolarHBondContact O-N 3.34Å; C631-S633 PolarHBondContact SG-OG 3.41Å; C631-N634 PolarHBondContact O-N 3Å
632P98.1Very high97.7Very high0 Ų014.1 Ų14.10%07%0.073CC..G310 helixtrans-56.9-21.2176.9-26.334.6000114.4P425 Y433 L440 L443 I444 H448 N634 L635P425-P632 HydrophobicContact CG-CG 3.9Å; P425-P632 WeakPolarHBondContact O-CD 3.49Å; Y433-P632 HydrophobicContact CE1-CB 4.38Å; Y433-P632 HydrophobicContact CE1-CG 4.21Å; L440-P632 HydrophobicContact CD2-CG 3.97Å; L443-P632 HydrophobicContact CD2-CB 3.83Å; L443-P632 HydrophobicContact CD2-CG 4.09Å; I444-P632 HydrophobicContact CG1-CB 3.86Å; H448-P632 PolarHBondContact NE2-O 3.04Å; P632-N634 PolarHBondContact O-N 3.08Å; P632-L635 HydrophobicContact CB-CD1 4.26Å; P632-L635 WeakPolarHBondContact O-CD1 3.48Å; P632-L635 WeakPolarHBondContact O-CG 3.46Å
633S95.7Very high97.7Very high18 Ų1812.6 Ų12.613%0.1266%0.063CC..G310 helixtrans-67.8-18.3175.769.10000114.1Y447 H448 C631Y447-S633 VanDerWaalsContact CE1-CB 3.41Å; Y447-S633 WeakPolarHBondContact OH-CB 3.35Å; H448-S633 PolarHBondContact CE1-O 2.83Å; C631-S633 PolarHBondContact O-N 3.34Å; C631-S633 PolarHBondContact SG-OG 3.41Å
634N97.3Very high97.7Very high10 Ų108.5 Ų8.55%0.0534%0.041CC..G310 helixtrans-107.916.1-175.8-74.1-46.4000113R486 T629 C631 P632 S638R486-N634 PolarHBondContact NH1-OD1 2.75Å; R486-N634 PolarHBondContact NH2-OD1 2.8Å; T629-N634 HydrophobicContact CG2-CB 4.12Å; T629-N634 WeakPolarHBondContact CG2-O 3.3Å; T629-N634 WeakPolarHBondContact OG1-CB 3.31Å; T629-N634 PolarHBondContact OG1-O 3.01Å; T629-N634 VanDerWaalsContact OG1-O 3.07Å; C631-N634 PolarHBondContact O-N 3Å; P632-N634 PolarHBondContact O-N 3.08Å; N634-S638 WeakPolarHBondContact O-CA 3.38Å; N634-S638 WeakPolarHBondContact O-CB 3.45Å; N634-S638 PolarHBondContact O-OG 3.3Å
635L97.9Very high97.7Very high0 Ų05.6 Ų5.60%03%0.028CC..  trans-68.8177.9173.7-64.9171.5000112.7Y433 I444 Y625 I628 T629 P632 T637 S638 R690 L691Y433-L635 HydrophobicContact CD1-CD1 4.3Å; Y433-L635 HydrophobicContact CE1-CD1 3.7Å; Y433-L635 HydrophobicContact CE1-CD2 3.99Å; Y433-L635 HydrophobicContact CE1-CG 4.31Å; Y433-L635 HydrophobicContact CE2-CD2 4.29Å; I444-L635 HydrophobicContact CD1-CD1 3.55Å; I444-L635 HydrophobicContact CG1-CD1 3.76Å; I444-L635 HydrophobicContact CG2-CD1 4.16Å; Y625-L635 HydrophobicContact CD1-CD1 4.46Å; Y625-L635 HydrophobicContact CG-CD1 4.31Å; I628-L635 HydrophobicContact CD1-CD2 4.15Å; I628-L635 HydrophobicContact CG2-CD2 4.48Å; T629-L635 PolarHBondContact OG1-N 2.98Å; P632-L635 HydrophobicContact CB-CD1 4.26Å; P632-L635 WeakPolarHBondContact O-CD1 3.48Å; P632-L635 WeakPolarHBondContact O-CG 3.46Å; L635-T637 PolarHBondContact O-N 2.91Å; L635-S638 PolarHBondContact O-N 3.48Å; L635-R690 VanDerWaalsContact O-CB 3.24Å; L635-R690 WeakPolarHBondContact O-CB 3.28Å; L635-L691 HydrophobicContact CB-CD1 4.5Å
636G97.8Very high97.7Very high0 Ų09.7 Ų9.70%05%0.046CC..BIsolated β-bridgetrans76.8-120176.800000111.3H457 Y625 Y627 S638H457-G636 WeakPolarHBondContact CE1-CA 3.43Å; H457-G636 WeakPolarHBondContact NE2-CA 3.42Å; Y625-G636 WeakPolarHBondContact O-CA 3.43Å; Y625-G636 PolarHBondContact O-N 2.9Å; Y627-G636 WeakPolarHBondContact CB-O 3.45Å; Y627-G636 WeakPolarHBondContact CD2-O 3.33Å; Y627-G636 PolarHBondContact N-O 3.26Å; G636-S638 PolarHBondContact O-N 3.47Å
637T98.3Very high97.6Very high0 Ų09.7 Ų9.70%05%0.046CC..THydrogen-bonded Turntrans-64.3-26.917258.50000111.8H457 R489 L635 M639 R690 L693 E695H457-T637 PolarHBondContact NE2-N 3.37Å; R489-T637 PolarHBondContact NH1-O 3.06Å; L635-T637 PolarHBondContact O-N 2.91Å; T637-M639 PolarHBondContact O-N 3.06Å; T637-M639 VanDerWaalsContact O-N 3.11Å; T637-M639 PolarHBondContact OG1-N 3.33Å; T637-R690 WeakPolarHBondContact CG2-O 3.41Å; T637-R690 PolarHBondContact N-O 2.77Å; T637-R690 PolarHBondContact OG1-O 3.11Å; T637-L693 VanDerWaalsContact CG2-O 3.23Å; T637-L693 WeakPolarHBondContact CG2-O 3.47Å; T637-E695 HydrophobicContact CG2-CG 3.96Å
638S98.4Very high97.4Very high0 Ų012 Ų120%06%0.064CC..  trans55.513.2-162.3-155.60000114R486 V487 G488 T629 N634 L635 G636R486-S638 PolarHBondContact NH1-O 2.96Å; V487-S638 WeakPolarHBondContact CA-O 3.4Å; G488-S638 WeakPolarHBondContact CA-OG 3.31Å; G488-S638 PolarHBondContact N-OG 3.15Å; G488-S638 WeakPolarHBondContact O-CB 3.35Å; G488-S638 PolarHBondContact O-OG 3.15Å; T629-S638 WeakPolarHBondContact CG2-OG 3.25Å; N634-S638 WeakPolarHBondContact O-CA 3.38Å; N634-S638 WeakPolarHBondContact O-CB 3.45Å; N634-S638 PolarHBondContact O-OG 3.3Å; L635-S638 PolarHBondContact O-N 3.48Å; G636-S638 PolarHBondContact O-N 3.47Å
639M98.5Very high97.3Very high0 Ų016.4 Ų16.40%08%0.083CC..  trans-90.9118.6-166.9-177.4174.7-7400112.5V485 R486 V487 Y603 L606 I607 T637 N687 R690 E695 A699V485-M639 HydrophobicContact CG1-CE 4.29Å; V485-M639 HydrophobicContact CG1-CG 3.78Å; V485-M639 HydrophobicContact CG1-SD 3.91Å; R486-M639 CarbonylContact O-C 3.54Å; R486-M639 WeakPolarHBondContact O-CA 3.47Å; V487-M639 HydrophobicContact CG1-CB 4Å; V487-M639 HydrophobicContact CG1-CE 4.1Å; V487-M639 HydrophobicContact CG1-CG 4.34Å; Y603-M639 HydrophobicContact CD2-CE 4.39Å; Y603-M639 HydrophobicContact CD2-SD 4.35Å; Y603-M639 HydrophobicContact CE2-CE 3.73Å; Y603-M639 HydrophobicContact CE2-SD 3.78Å; L606-M639 HydrophobicContact CD2-CE 4.22Å; I607-M639 HydrophobicContact CD1-CE 4.16Å; T637-M639 PolarHBondContact O-N 3.06Å; T637-M639 VanDerWaalsContact O-N 3.11Å; T637-M639 PolarHBondContact OG1-N 3.33Å; M639-N687 PolarHBondContact O-ND2 3.4Å; M639-R690 VanDerWaalsContact C-CD 3.5Å; M639-R690 WeakPolarHBondContact O-CD 3.38Å; M639-R690 VanDerWaalsContact O-CZ 3.25Å; M639-R690 PolarHBondContact O-NE 3.3Å; M639-R690 PolarHBondContact O-NH1 2.96Å; M639-E695 HydrophobicContact CE-CB 3.65Å; M639-E695 HydrophobicContact CE-CG 3.71Å; M639-E695 HydrophobicContact SD-CB 4.12Å; M639-A699 HydrophobicContact SD-CB 4.42Å
640R97.6Very high97.1Very high16 Ų1616.4 Ų16.46%0.068%0.083CC..EExtended strand (participates in β ladder)trans-108.4103.9166.2-178.1174.4-167.9-97.64.6109.2V485 R486 D684 S686 N687 R690V485-R640 WeakPolarHBondContact CA-O 3.42Å; R486-R640 HydrophobicContact CG-CB 4.1Å; R486-R640 PolarHBondContact N-O 2.78Å; R486-R640 PolarHBondContact O-N 3.1Å; R640-D684 IonicContact CZ-OD1 2.69Å; R640-D684 IonicContact CZ-OD2 3.66Å; R640-D684 IonicContact NH1-OD1 3.99Å; R640-D684 PolarHBondContact NH1-OD1 3.42Å; R640-D684 IonicContact NH1-OD2 3.05Å; R640-D684 PolarHBondContact NH1-OD2 3.22Å; R640-D684 IonicContact NH2-OD1 2.7Å; R640-D684 PolarHBondContact NH2-OD1 2.57Å; R640-D684 IonicContact NH2-OD2 3.21Å; R640-D684 PolarHBondContact NH2-OD2 3.2Å; R640-D684 VanDerWaalsContact NH2-OD2 3.11Å; R640-S686 PolarHBondContact NE-OG 3.48Å; R640-S686 PolarHBondContact NH2-OG 3.09Å; R640-N687 WeakPolarHBondContact CA-OD1 3.45Å; R640-R690 VanDerWaalsContact CG-NH2 3.31Å
641A98.1Very high96.8Very high0 Ų017.6 Ų17.60%09%0.092CC..EExtended strand (participates in β ladder)trans-88132.2165.200000108.3V485 S686 N687 M702V485-A641 HydrophobicContact CG1-CB 4.1Å; V485-A641 HydrophobicContact CG2-CB 4Å; A641-S686 WeakPolarHBondContact O-CA 3.31Å; A641-S686 VanDerWaalsContact O-CB 3.24Å; A641-S686 WeakPolarHBondContact O-CB 3.39Å; A641-N687 PolarHBondContact N-OD1 2.65Å; A641-N687 PolarHBondContact O-N 3.38Å; A641-N687 PolarHBondContact O-OD1 3.19Å; A641-N687 VanDerWaalsContact O-OD1 3.14Å; A641-M702 HydrophobicContact CB-CB 4.14Å; A641-M702 HydrophobicContact CB-CE 3.69Å; A641-M702 HydrophobicContact CB-CG 4.28Å
642S97.4Very high96.5Very high3 Ų321.9 Ų21.92%0.02112%0.121CC..EExtended strand (participates in β ladder)trans-147.9150.6-174.551.50000112.4R484 D684 I685R484-S642 PolarHBondContact N-O 3.19Å; R484-S642 PolarHBondContact O-N 3.45Å; R484-S642 PolarHBondContact O-OG 3.28Å; R484-S642 VanDerWaalsContact O-OG 3.05Å; S642-D684 WeakPolarHBondContact CB-OD1 3.48Å; S642-I685 CarbonylContact C-O 3.56Å; S642-I685 WeakPolarHBondContact CA-O 3.43Å
643V97.2Very high96.3Very high3 Ų325.4 Ų25.42%0.01814%0.138CC..EExtended strand (participates in β ladder)trans-128.3148.7169.1-65.70000109.6I480 S482 T483 L645 D684 I685 M702 V706I480-V643 HydrophobicContact CD1-CG1 4.21Å; I480-V643 HydrophobicContact CG1-CB 4.49Å; I480-V643 HydrophobicContact CG2-CB 4.01Å; I480-V643 HydrophobicContact CG2-CG1 4.12Å; S482-V643 WeakPolarHBondContact O-CA 3.32Å; T483-V643 HydrophobicContact CG2-CG1 4.05Å; V643-L645 HydrophobicContact CG2-CB 4.1Å; V643-D684 WeakPolarHBondContact O-CA 3.43Å; V643-I685 HydrophobicContact CG2-CB 4.14Å; V643-I685 PolarHBondContact N-O 2.83Å; V643-I685 PolarHBondContact O-N 3.22Å; V643-M702 HydrophobicContact CG1-CE 4.18Å; V643-M702 HydrophobicContact CG1-SD 4.1Å; V643-M702 HydrophobicContact CG2-SD 4.42Å; V643-V706 HydrophobicContact CG2-CB 4.4Å; V643-V706 HydrophobicContact CG2-CG1 3.9Å; V643-V706 HydrophobicContact CG2-CG2 3.56Å
644L95.5Very high95.9Very high30 Ų3028 Ų2816%0.15715%0.154CC..EExtended strand (participates in β ladder)trans-91.7103.6166.5-169.569000108.6V481 S482 L671 T682V481-L644 HydrophobicContact CB-CB 4.21Å; V481-L644 HydrophobicContact CB-CD2 4.04Å; V481-L644 HydrophobicContact CB-CG 4.33Å; V481-L644 HydrophobicContact CG1-CD2 4.14Å; V481-L644 HydrophobicContact CG2-CD2 4.35Å; V481-L644 PolarHBondContact N-O 3.27Å; S482-L644 PolarHBondContact O-N 3.16Å; L644-L671 HydrophobicContact CD1-CD1 3.71Å; L644-L671 HydrophobicContact CD2-CD1 3.61Å; L644-L671 HydrophobicContact CG-CD1 4.18Å; L644-T682 HydrophobicContact CD1-CG2 3.74Å; L644-T682 HydrophobicContact CD2-CG2 4.22Å; L644-T682 HydrophobicContact CG-CG2 3.65Å
645L96.5Very high95.8Very high0 Ų036.1 Ų36.10%019%0.189CC..EExtended strand (participates in β ladder)trans-110.5123.8-164.8-172.869.2000111.7F479 I480 V643 I647 T682 Y683 I685 V706 M709 I710F479-L645 HydrophobicContact CB-CD1 3.88Å; I480-L645 HydrophobicContact CG1-CD1 3.71Å; V643-L645 HydrophobicContact CG2-CB 4.1Å; L645-I647 HydrophobicContact CD2-CD1 4.38Å; L645-I647 HydrophobicContact CD2-CG1 4.47Å; L645-I647 HydrophobicContact CD2-CG2 3.74Å; L645-I647 HydrophobicContact CG-CG2 3.81Å; L645-T682 CarbonylContact O-C 3.57Å; L645-T682 WeakPolarHBondContact O-CA 3.38Å; L645-Y683 PolarHBondContact N-O 2.9Å; L645-Y683 PolarHBondContact O-N 3.33Å; L645-I685 HydrophobicContact CB-CG1 4Å; L645-I685 HydrophobicContact CD2-CG1 3.91Å; L645-V706 HydrophobicContact CD1-CG1 4.28Å; L645-V706 HydrophobicContact CD2-CG1 4.46Å; L645-M709 HydrophobicContact CD2-CB 4.01Å; L645-M709 HydrophobicContact CD2-SD 4.05Å; L645-I710 HydrophobicContact CD1-CD1 3.98Å; L645-I710 HydrophobicContact CD1-CG1 3.79Å
646K96.4Very high95.6Very high94 Ų9439.7 Ų39.741%0.40921%0.205SC..EExtended strand (participates in β ladder)trans-86.8107.2173-66.5173.7171.7171.10110F479 V481 T682F479-K646 WeakPolarHBondContact O-CB 3.45Å; F479-K646 PolarHBondContact O-N 2.56Å; V481-K646 HydrophobicContact CG2-CD 4.03Å; V481-K646 VanDerWaalsContact CG2-CE 3.41Å; V481-K646 HydrophobicContact CG2-CG 4.08Å; K646-T682 HydrophobicContact CG-CG2 4.38Å
647I95.5Very high95.4Very high0 Ų039.9 Ų39.90%021%0.206CC..  trans-135.157.5179.746.2162.9000111L645 K649 L650 S651 L657 G681 Y683 E713L645-I647 HydrophobicContact CD2-CD1 4.38Å; L645-I647 HydrophobicContact CD2-CG1 4.47Å; L645-I647 HydrophobicContact CD2-CG2 3.74Å; L645-I647 HydrophobicContact CG-CG2 3.81Å; I647-K649 PolarHBondContact O-N 3.13Å; I647-L650 HydrophobicContact CB-CB 4.22Å; I647-L650 HydrophobicContact CD1-CB 4.48Å; I647-L650 HydrophobicContact CD1-CD2 4.15Å; I647-L650 PolarHBondContact O-N 2.87Å; I647-S651 WeakPolarHBondContact O-CB 3.09Å; I647-S651 PolarHBondContact O-N 3.21Å; I647-L657 HydrophobicContact CD1-CD1 3.73Å; I647-L657 HydrophobicContact CD1-CD2 4.32Å; I647-G681 CarbonylContact C-O 3.5Å; I647-G681 PolarHBondContact N-O 2.98Å; I647-Y683 HydrophobicContact CD1-CD2 4.02Å; I647-Y683 HydrophobicContact CG1-CD2 3.98Å; I647-E713 HydrophobicContact CB-CG 4.4Å; I647-E713 HydrophobicContact CG2-CB 4.02Å; I647-E713 HydrophobicContact CG2-CG 4Å
648P94.6Very high95.1Very high73 Ų7344.8 Ų44.847%0.47423%0.232SC..Hα-helixtrans-57.3-34.6-17523.9-34.9000113.3S652 E713P648-S652 PolarHBondContact O-N 3.1Å; P648-E713 WeakPolarHBondContact CD-OE1 3.32Å
649K96.1Very high94.9Very high97 Ų9751.2 Ų51.242%0.42226%0.262SS..Hα-helixtrans-74.8-47.6-179.2-55.8176.2-179.9-167.80111.3I647 S651 S652 E713 L716I647-K649 PolarHBondContact O-N 3.13Å; K649-S651 VanDerWaalsContact C-N 3.29Å; K649-S651 PolarHBondContact O-N 2.82Å; K649-S652 WeakPolarHBondContact O-CB 3.44Å; K649-S652 PolarHBondContact O-N 2.67Å; K649-S652 PolarHBondContact O-OG 3.18Å; K649-E713 VanDerWaalsContact CB-OE1 3.28Å; K649-E713 WeakPolarHBondContact CB-OE1 3.38Å; K649-E713 WeakPolarHBondContact CB-OE2 3.36Å; K649-E713 VanDerWaalsContact CG-OE1 3.27Å; K649-E713 WeakPolarHBondContact CG-OE1 3.5Å; K649-E713 PolarHBondContact N-OE1 3.47Å; K649-E713 PolarHBondContact N-OE2 3.4Å; K649-L716 HydrophobicContact CB-CB 3.86Å; K649-L716 HydrophobicContact CB-CD1 4.12Å; K649-L716 VanDerWaalsContact CD-C 3.45Å; K649-L716 HydrophobicContact CD-CB 3.84Å; K649-L716 WeakPolarHBondContact CD-O 3.5Å; K649-L716 WeakPolarHBondContact CD-OXT 3.25Å; K649-L716 PolarHBondContact NZ-O 3.07Å; K649-L716 PolarHBondContact NZ-OXT 3.33Å
650L94.6Very high94.7Very high0 Ų051.8 Ų51.80%027%0.265CS..Hα-helixtrans-66.5-32.4176.5-178.260.4000111.9I647 S652 Q653 K656 L657 I660 M709 I712 E713 L716I647-L650 HydrophobicContact CB-CB 4.22Å; I647-L650 HydrophobicContact CD1-CB 4.48Å; I647-L650 HydrophobicContact CD1-CD2 4.15Å; I647-L650 PolarHBondContact O-N 2.87Å; L650-S652 PolarHBondContact O-N 3.27Å; L650-Q653 CarbonylContact O-C 3.6Å; L650-Q653 WeakPolarHBondContact O-CA 3.18Å; L650-Q653 PolarHBondContact O-N 3.11Å; L650-K656 HydrophobicContact CD1-CB 4.19Å; L650-K656 HydrophobicContact CD1-CD 4.11Å; L650-K656 HydrophobicContact CD1-CG 4.06Å; L650-L657 HydrophobicContact CD2-CD1 4.01Å; L650-L657 HydrophobicContact CG-CB 4.33Å; L650-L657 HydrophobicContact CG-CD1 4.37Å; L650-I660 HydrophobicContact CD1-CD1 3.96Å; L650-I660 HydrophobicContact CD2-CD1 3.76Å; L650-I660 HydrophobicContact CG-CD1 4.49Å; L650-M709 HydrophobicContact CD2-CB 4.36Å; L650-M709 HydrophobicContact CD2-CG 4.22Å; L650-I712 HydrophobicContact CD1-CG2 4.1Å; L650-E713 WeakPolarHBondContact CB-OE2 3.07Å; L650-E713 PolarHBondContact N-OE2 2.86Å; L650-L716 HydrophobicContact CB-CD1 4.31Å
651S92.8Very high94.6Very high26 Ų2651.4 Ų51.418%0.18227%0.265CS..Hα-helixtrans-58.3-34.4173.8-178.70000112.5I647 K649 Q653 Y683I647-S651 WeakPolarHBondContact O-CB 3.09Å; I647-S651 PolarHBondContact O-N 3.21Å; K649-S651 VanDerWaalsContact C-N 3.29Å; K649-S651 PolarHBondContact O-N 2.82Å; S651-Q653 PolarHBondContact O-N 3.13Å; S651-Q653 VanDerWaalsContact O-N 3.11Å; S651-Y683 WeakPolarHBondContact OG-CE2 3.46Å; S651-Y683 PolarHBondContact OG-OH 3.4Å
652S92.3Very high94.3Very high89 Ų8954.6 Ų54.662%0.62229%0.291SS*.THydrogen-bonded Turntrans-65.5-10.1173.5780000113.9P648 K649 L650 P654P648-S652 PolarHBondContact O-N 3.1Å; K649-S652 WeakPolarHBondContact O-CB 3.44Å; K649-S652 PolarHBondContact O-N 2.67Å; K649-S652 PolarHBondContact O-OG 3.18Å; L650-S652 PolarHBondContact O-N 3.27Å; S652-P654 VanDerWaalsContact C-CD 3.48Å; S652-P654 WeakPolarHBondContact O-CD 3.41Å
653Q93.2Very high94.1Very high75 Ų7561.6 Ų61.635%0.3532%0.321SS..  trans-120.967.8176.8-60.8-179.93200110.8L650 S651 K655 K656 L657L650-Q653 CarbonylContact O-C 3.6Å; L650-Q653 WeakPolarHBondContact O-CA 3.18Å; L650-Q653 PolarHBondContact O-N 3.11Å; S651-Q653 PolarHBondContact O-N 3.13Å; S651-Q653 VanDerWaalsContact O-N 3.11Å; Q653-K655 VanDerWaalsContact C-N 3.3Å; Q653-K655 PolarHBondContact O-N 3.21Å; Q653-K655 VanDerWaalsContact O-N 3.16Å; Q653-K656 HydrophobicContact CB-CB 3.98Å; Q653-K656 WeakPolarHBondContact O-CA 3.25Å; Q653-K656 WeakPolarHBondContact O-CB 3.31Å; Q653-K656 PolarHBondContact O-N 2.98Å; Q653-K656 VanDerWaalsContact OE1-CD 3.24Å; Q653-L657 PolarHBondContact O-N 2.94Å; Q653-L657 VanDerWaalsContact O-N 3.11Å
654P89Confident94Very high73 Ų7363.2 Ų63.247%0.47433%0.327SS..Hα-helixtrans-58.5-37.1-169.421.4-33.4000113.6S652 K656 L657 D658S652-P654 VanDerWaalsContact C-CD 3.48Å; S652-P654 WeakPolarHBondContact O-CD 3.41Å; P654-K656 VanDerWaalsContact C-N 3.27Å; P654-K656 PolarHBondContact O-N 3.45Å; P654-L657 WeakPolarHBondContact O-CB 3.36Å; P654-L657 PolarHBondContact O-N 3.4Å; P654-D658 PolarHBondContact O-N 3.12Å
655K93.2Very high93.8Very high179 Ų17965.6 Ų65.678%0.77834%0.338SS*.Hα-helixtrans-61.9-35.1175.7-68.3-173.7178.3-178.80113Q653 E659Q653-K655 VanDerWaalsContact C-N 3.3Å; Q653-K655 PolarHBondContact O-N 3.21Å; Q653-K655 VanDerWaalsContact O-N 3.16Å; K655-E659 WeakPolarHBondContact O-CB 3.35Å; K655-E659 PolarHBondContact O-N 3.1Å
656K93.8Very high93.7Very high76 Ų7665.9 Ų65.933%0.3334%0.34SS..Hα-helixtrans-74.5-37.9178.3-167.7176-176.71790110.8L650 Q653 P654 D658 E659 I660L650-K656 HydrophobicContact CD1-CB 4.19Å; L650-K656 HydrophobicContact CD1-CD 4.11Å; L650-K656 HydrophobicContact CD1-CG 4.06Å; Q653-K656 HydrophobicContact CB-CB 3.98Å; Q653-K656 WeakPolarHBondContact O-CA 3.25Å; Q653-K656 WeakPolarHBondContact O-CB 3.31Å; Q653-K656 PolarHBondContact O-N 2.98Å; Q653-K656 VanDerWaalsContact OE1-CD 3.24Å; P654-K656 VanDerWaalsContact C-N 3.27Å; P654-K656 PolarHBondContact O-N 3.45Å; K656-D658 VanDerWaalsContact C-N 3.34Å; K656-E659 PolarHBondContact O-N 3.49Å; K656-I660 HydrophobicContact CG-CD1 4.34Å; K656-I660 WeakPolarHBondContact O-CD1 3.37Å; K656-I660 VanDerWaalsContact O-CG1 3.25Å; K656-I660 WeakPolarHBondContact O-CG1 3.23Å; K656-I660 PolarHBondContact O-N 3.32Å
657L94.1Very high93.4Very high4 Ų464 Ų642%0.02133%0.333CS..Hα-helixtrans-59-47170.3179.458.8000110.9I647 L650 Q653 P654 E659 I660 C661 Y683 M709I647-L657 HydrophobicContact CD1-CD1 3.73Å; I647-L657 HydrophobicContact CD1-CD2 4.32Å; L650-L657 HydrophobicContact CD2-CD1 4.01Å; L650-L657 HydrophobicContact CG-CB 4.33Å; L650-L657 HydrophobicContact CG-CD1 4.37Å; Q653-L657 PolarHBondContact O-N 2.94Å; Q653-L657 VanDerWaalsContact O-N 3.11Å; P654-L657 WeakPolarHBondContact O-CB 3.36Å; P654-L657 PolarHBondContact O-N 3.4Å; L657-E659 PolarHBondContact O-N 3.32Å; L657-I660 PolarHBondContact O-N 2.47Å; L657-C661 WeakPolarHBondContact O-CB 3.35Å; L657-C661 PolarHBondContact O-N 2.86Å; L657-Y683 HydrophobicContact CD2-CD1 4.38Å; L657-Y683 HydrophobicContact CD2-CD2 4.33Å; L657-Y683 HydrophobicContact CD2-CE1 4.05Å; L657-Y683 HydrophobicContact CD2-CE2 4.02Å; L657-M709 HydrophobicContact CD1-CE 4.23Å; L657-M709 HydrophobicContact CD1-SD 4.17Å
658D92.2Very high93.1Very high103 Ų10365.5 Ų65.555%0.55135%0.345SS*.Hα-helixtrans-61.3-41.8177.4-70.9-18.2000112.3P654 K656 C661 A662P654-D658 PolarHBondContact O-N 3.12Å; K656-D658 VanDerWaalsContact C-N 3.34Å; D658-C661 PolarHBondContact O-N 3.29Å; D658-A662 WeakPolarHBondContact O-CB 3.45Å; D658-A662 PolarHBondContact O-N 2.74Å
659E95.2Very high92.7Very high134 Ų13464.2 Ų64.263%0.62633%0.331SS*.Hα-helixtrans-60.4-45.6175.6-173.1-170.7160.600111.6K655 K656 L657 A662 K663K655-E659 WeakPolarHBondContact O-CB 3.35Å; K655-E659 PolarHBondContact O-N 3.1Å; K656-E659 PolarHBondContact O-N 3.49Å; L657-E659 PolarHBondContact O-N 3.32Å; E659-A662 PolarHBondContact O-N 3.14Å; E659-K663 WeakPolarHBondContact O-CB 3.45Å; E659-K663 PolarHBondContact O-N 3.46Å
660I94.6Very high92Very high13 Ų1359.9 Ų59.97%0.06731%0.313CS..Hα-helixtrans-65.4-44.9177.7-62.8158.3000110.2L650 K656 L657 A662 K663 Y664 M709 I712L650-I660 HydrophobicContact CD1-CD1 3.96Å; L650-I660 HydrophobicContact CD2-CD1 3.76Å; L650-I660 HydrophobicContact CG-CD1 4.49Å; K656-I660 HydrophobicContact CG-CD1 4.34Å; K656-I660 WeakPolarHBondContact O-CD1 3.37Å; K656-I660 VanDerWaalsContact O-CG1 3.25Å; K656-I660 WeakPolarHBondContact O-CG1 3.23Å; K656-I660 PolarHBondContact O-N 3.32Å; L657-I660 PolarHBondContact O-N 2.47Å; I660-A662 VanDerWaalsContact C-N 3.34Å; I660-A662 PolarHBondContact O-N 3.38Å; I660-K663 PolarHBondContact O-N 3.46Å; I660-Y664 HydrophobicContact CG2-CD2 3.97Å; I660-Y664 HydrophobicContact CG2-CE2 4.35Å; I660-Y664 WeakPolarHBondContact O-CD2 3.2Å; I660-Y664 PolarHBondContact O-N 3.17Å; I660-M709 HydrophobicContact CB-CE 4.38Å; I660-M709 HydrophobicContact CG2-CE 3.69Å; I660-M709 HydrophobicContact CG2-CG 3.72Å; I660-I712 HydrophobicContact CD1-CD1 3.46Å; I660-I712 VanDerWaalsContact CD1-CD1 3.46Å; I660-I712 HydrophobicContact CG1-CD1 4.1Å
661C93.9Very high91.2Very high8 Ų862.2 Ų62.25%0.05433%0.325CS..Hα-helixtrans-58.7-45.2175.6-77.40000111.6L657 D658 M665 L666 M709L657-C661 WeakPolarHBondContact O-CB 3.35Å; L657-C661 PolarHBondContact O-N 2.86Å; D658-C661 PolarHBondContact O-N 3.29Å; C661-M665 PolarHBondContact O-N 3.33Å; C661-L666 HydrophobicContact CB-CB 4.45Å; C661-L666 PolarHBondContact O-N 3.14Å; C661-M709 VanDerWaalsContact SG-CE 3.58Å
662A91.5Very high90.2Very high67 Ų6768.8 Ų68.855%0.55435%0.347SS*.Hα-helixtrans-63.3-44.1177.200000111.9D658 E659 I660 Y664 M665D658-A662 WeakPolarHBondContact O-CB 3.45Å; D658-A662 PolarHBondContact O-N 2.74Å; E659-A662 PolarHBondContact O-N 3.14Å; I660-A662 VanDerWaalsContact C-N 3.34Å; I660-A662 PolarHBondContact O-N 3.38Å; A662-Y664 PolarHBondContact O-N 3.25Å; A662-M665 PolarHBondContact O-N 2.92Å
663K94.4Very high89Confident150 Ų15065.2 Ų65.265%0.65232%0.324SS*.Hα-helixtrans-60-44.3-180179.9176.7178177.90112.7E659 I660E659-K663 WeakPolarHBondContact O-CB 3.45Å; E659-K663 PolarHBondContact O-N 3.46Å; I660-K663 PolarHBondContact O-N 3.46Å
664Y93.6Very high87.5Confident36 Ų3666 Ų6614%0.14133%0.328CS..THydrogen-bonded Turntrans-94.59.6-177.8-72.6-86000113.5I660 A662 L666 E704 K708I660-Y664 HydrophobicContact CG2-CD2 3.97Å; I660-Y664 HydrophobicContact CG2-CE2 4.35Å; I660-Y664 WeakPolarHBondContact O-CD2 3.2Å; I660-Y664 PolarHBondContact O-N 3.17Å; A662-Y664 PolarHBondContact O-N 3.25Å; Y664-L666 VanDerWaalsContact C-N 3.26Å; Y664-L666 WeakPolarHBondContact O-CD2 3.15Å; Y664-L666 PolarHBondContact O-N 3.44Å; Y664-E704 HydrophobicContact CD1-CB 4.43Å; Y664-E704 HydrophobicContact CD1-CG 4.43Å; Y664-E704 HydrophobicContact CE1-CB 4.27Å; Y664-E704 HydrophobicContact CE1-CG 3.8Å; Y664-K708 HydrophobicContact CE2-CB 4.09Å; Y664-K708 HydrophobicContact CE2-CG 4.04Å
665M92.1Very high86.1Confident80 Ų8071.1 Ų71.139%0.39435%0.345SS..THydrogen-bonded Turntrans52.345.8-177.3-61.3-68.2-177.900112.2C661 A662 K688 R689C661-M665 PolarHBondContact O-N 3.33Å; A662-M665 PolarHBondContact O-N 2.92Å; M665-K688 WeakPolarHBondContact O-CA 3.45Å; M665-K688 WeakPolarHBondContact O-CB 3.47Å; M665-K688 PolarHBondContact O-N 3.42Å; M665-R689 HydrophobicContact CB-CG 4.21Å
666L93.8Very high84.9Confident7 Ų765.1 Ų65.14%0.03732%0.324CS..EExtended strand (participates in β ladder)trans-105.3166.3177.2-53.3-174.7000111.2C661 Y664 I685 S686 N687 M702 M709C661-L666 HydrophobicContact CB-CB 4.45Å; C661-L666 PolarHBondContact O-N 3.14Å; Y664-L666 VanDerWaalsContact C-N 3.26Å; Y664-L666 WeakPolarHBondContact O-CD2 3.15Å; Y664-L666 PolarHBondContact O-N 3.44Å; L666-I685 HydrophobicContact CB-CG2 4.48Å; L666-I685 HydrophobicContact CD1-CG2 3.82Å; L666-S686 CarbonylContact C-O 3.49Å; L666-S686 WeakPolarHBondContact CA-O 3.43Å; L666-S686 WeakPolarHBondContact CB-O 3.37Å; L666-N687 HydrophobicContact CD2-CB 4.39Å; L666-M702 HydrophobicContact CD2-CB 4.42Å; L666-M709 HydrophobicContact CD1-CE 3.84Å
667Q90.5Very high84.2Confident55 Ų5569.8 Ų69.826%0.25735%0.347SS..EExtended strand (participates in β ladder)trans-128.9129.9170.1-172.6-1778.200108.8R669 S686Q667-R669 HydrophobicContact CG-CG 4.29Å; Q667-S686 PolarHBondContact N-O 3.38Å; Q667-S686 PolarHBondContact O-N 3.36Å; Q667-S686 PolarHBondContact O-OG 2.93Å
668A89.6Confident83.3Confident31 Ų3170.9 Ų70.926%0.25636%0.355SS..EExtended strand (participates in β ladder)trans-94.9135.4169.500000110.3Y683 D684 I685A668-Y683 HydrophobicContact CB-CD1 3.99Å; A668-D684 CarbonylContact C-O 3.54Å; A668-D684 WeakPolarHBondContact CA-O 3.29Å; A668-I685 HydrophobicContact CB-CD1 3.58Å
669R87.2Confident82.7Confident46 Ų4669.1 Ų69.117%0.17435%0.349CS..EExtended strand (participates in β ladder)trans-133165.1176-57.3-177.6-175.9-153.4-14110.2Q667 E674 Y683 D684Q667-R669 HydrophobicContact CG-CG 4.29Å; R669-E674 IonicContact CZ-OE2 2.79Å; R669-E674 IonicContact NH1-OE2 3.05Å; R669-E674 PolarHBondContact NH1-OE2 3.31Å; R669-E674 IonicContact NH2-OE1 3.89Å; R669-E674 IonicContact NH2-OE2 2.67Å; R669-E674 PolarHBondContact NH2-OE2 2.86Å; R669-Y683 WeakPolarHBondContact O-CA 3.29Å; R669-D684 HydrophobicContact CB-CB 4.26Å; R669-D684 PolarHBondContact N-O 2.95Å; R669-D684 PolarHBondContact O-N 3.05Å
670G80.9Confident82.1Confident5 Ų569.7 Ų69.75%0.05236%0.356CS..BIsolated β-bridgetrans-62.8174.8174.200000114.2Y672 G673 T676 E677 S678G670-Y672 VanDerWaalsContact C-N 3.25Å; G670-Y672 PolarHBondContact O-N 3.46Å; G670-G673 PolarHBondContact N-O 2.92Å; G670-G673 PolarHBondContact O-N 3.21Å; G670-G673 VanDerWaalsContact O-N 3.1Å; G670-T676 WeakPolarHBondContact CA-O 3.45Å; G670-T676 VanDerWaalsContact CA-OG1 3.28Å; G670-T676 WeakPolarHBondContact CA-OG1 3.47Å; G670-E677 WeakPolarHBondContact CA-O 3.36Å; G670-S678 WeakPolarHBondContact CA-OG 3.26Å
671L76.3Confident81.8Confident49 Ų4969.4 Ų69.426%0.25736%0.357SS..THydrogen-bonded Turntrans-56.2-36.9-175.6176.760.4000113.3L644 T676 E677 P679 T682L644-L671 HydrophobicContact CD1-CD1 3.71Å; L644-L671 HydrophobicContact CD2-CD1 3.61Å; L644-L671 HydrophobicContact CG-CD1 4.18Å; L671-T676 PolarHBondContact N-OG1 2.97Å; L671-E677 PolarHBondContact N-O 2.94Å; L671-P679 HydrophobicContact CB-CG 4.5Å; L671-P679 HydrophobicContact CD2-CG 3.86Å; L671-T682 HydrophobicContact CD1-CG2 4.14Å
672Y72.9Confident81.8Confident164 Ų16469.7 Ų69.764%0.64336%0.358SS*.THydrogen-bonded Turntrans-105.721.2-177.6-62.1-74.9000112.6H545 G670 T676H545-Y672 AromaticContact CE1-CE1 3.97Å; G670-Y672 VanDerWaalsContact C-N 3.25Å; G670-Y672 PolarHBondContact O-N 3.46Å; Y672-T676 PolarHBondContact N-OG1 3.06Å
673G66.5Low81.9Confident14 Ų1468.5 Ų68.514%0.14434%0.34CS..BIsolated β-bridgetrans97.4-149176.700000113.7G670 H675 T676G670-G673 PolarHBondContact N-O 2.92Å; G670-G673 PolarHBondContact O-N 3.21Å; G670-G673 VanDerWaalsContact O-N 3.1Å; G673-H675 PolarHBondContact O-N 2.8Å; G673-T676 PolarHBondContact N-OG1 3.49Å; G673-T676 PolarHBondContact O-N 2.98Å; G673-T676 PolarHBondContact O-OG1 2.8Å
674E62.6Low81.9Confident91 Ų9162.4 Ų62.443%0.42531%0.314SS..THydrogen-bonded Turntrans-63.7136.9-172.4-146.7162.916800111.4R669 T676R669-E674 IonicContact CZ-OE2 2.79Å; R669-E674 IonicContact NH1-OE2 3.05Å; R669-E674 PolarHBondContact NH1-OE2 3.31Å; R669-E674 IonicContact NH2-OE1 3.89Å; R669-E674 IonicContact NH2-OE2 2.67Å; R669-E674 PolarHBondContact NH2-OE2 2.86Å; E674-T676 VanDerWaalsContact C-N 3.28Å; E674-T676 PolarHBondContact O-N 3.44Å
675H59.6Low82Confident182 Ų18260.7 Ų60.784%0.84331%0.307SS*.THydrogen-bonded Turntrans65.119.6178.9-44.4-59.5000116.2G673G673-H675 PolarHBondContact O-N 2.8Å
676T68Low82.2Confident53 Ų5356.9 Ų56.933%0.32529%0.289SS..  trans-104.9157.5173.664.60000111.7G670 L671 Y672 G673 E674G670-T676 WeakPolarHBondContact CA-O 3.45Å; G670-T676 VanDerWaalsContact CA-OG1 3.28Å; G670-T676 WeakPolarHBondContact CA-OG1 3.47Å; L671-T676 PolarHBondContact N-OG1 2.97Å; Y672-T676 PolarHBondContact N-OG1 3.06Å; G673-T676 PolarHBondContact N-OG1 3.49Å; G673-T676 PolarHBondContact O-N 2.98Å; G673-T676 PolarHBondContact O-OG1 2.8Å; E674-T676 VanDerWaalsContact C-N 3.28Å; E674-T676 PolarHBondContact O-N 3.44Å
677E78.1Confident82.3Confident173 Ų17356.5 Ų56.581%0.80829%0.287SS*.  trans-77.3162.5175-66.3-174.5172.100111.5G670 L671 P679G670-E677 WeakPolarHBondContact CA-O 3.36Å; L671-E677 PolarHBondContact N-O 2.94Å; E677-P679 VanDerWaalsContact C-CD 3.46Å; E677-P679 VanDerWaalsContact O-CD 3.22Å; E677-P679 WeakPolarHBondContact O-CD 3.49Å
678S75.9Confident82.3Confident28 Ų2859.7 Ų59.720%0.19630%0.3CS..  trans-113.176.8178.6-79.80000110.2G670 D680 G681 T682 Y683G670-S678 WeakPolarHBondContact CA-OG 3.26Å; S678-D680 PolarHBondContact O-N 2.69Å; S678-G681 PolarHBondContact O-N 3.46Å; S678-T682 WeakPolarHBondContact CB-O 3.44Å; S678-T682 PolarHBondContact OG-O 3.44Å; S678-Y683 VanDerWaalsContact OG-CD1 3.22Å; S678-Y683 WeakPolarHBondContact OG-CD1 3.38Å; S678-Y683 VanDerWaalsContact OG-CE1 3.3Å; S678-Y683 WeakPolarHBondContact OG-CE1 3.35Å
679P79Confident82.3Confident66 Ų6662.4 Ų62.443%0.42930%0.303SS..G310 helixtrans-57143.3172.925.6-33000110.1L671 E677 G681 T682L671-P679 HydrophobicContact CB-CG 4.5Å; L671-P679 HydrophobicContact CD2-CG 3.86Å; E677-P679 VanDerWaalsContact C-CD 3.46Å; E677-P679 VanDerWaalsContact O-CD 3.22Å; E677-P679 WeakPolarHBondContact O-CD 3.49Å; P679-G681 PolarHBondContact O-N 3.44Å; P679-G681 VanDerWaalsContact O-N 3.09Å; P679-T682 PolarHBondContact O-N 3.12Å; P679-T682 VanDerWaalsContact O-N 3.16Å
680D82.2Confident82.7Confident145 Ų14560.8 Ų60.878%0.77530%0.297SS*.G310 helixtrans5919.7177.3-49.3-36.9000115.8S678 T682S678-D680 PolarHBondContact O-N 2.69Å; D680-T682 VanDerWaalsContact C-N 3.31Å; D680-T682 PolarHBondContact O-N 3.09Å
681G89.8Confident83.4Confident7 Ų760.7 Ų60.77%0.07230%0.296CS..G310 helixtrans6831-177.300000113.3I647 S678 P679I647-G681 CarbonylContact C-O 3.5Å; I647-G681 PolarHBondContact N-O 2.98Å; S678-G681 PolarHBondContact O-N 3.46Å; P679-G681 PolarHBondContact O-N 3.44Å; P679-G681 VanDerWaalsContact O-N 3.09Å
682T93.3Very high84.3Confident14 Ų1460.2 Ų60.29%0.08630%0.303CS..EExtended strand (participates in β ladder)trans-93.9124.6173.7-54.50000110.7L644 L645 K646 L671 S678 P679 D680L644-T682 HydrophobicContact CD1-CG2 3.74Å; L644-T682 HydrophobicContact CD2-CG2 4.22Å; L644-T682 HydrophobicContact CG-CG2 3.65Å; L645-T682 CarbonylContact O-C 3.57Å; L645-T682 WeakPolarHBondContact O-CA 3.38Å; K646-T682 HydrophobicContact CG-CG2 4.38Å; L671-T682 HydrophobicContact CD1-CG2 4.14Å; S678-T682 WeakPolarHBondContact CB-O 3.44Å; S678-T682 PolarHBondContact OG-O 3.44Å; P679-T682 PolarHBondContact O-N 3.12Å; P679-T682 VanDerWaalsContact O-N 3.16Å; D680-T682 VanDerWaalsContact C-N 3.31Å; D680-T682 PolarHBondContact O-N 3.09Å
683Y94.2Very high85.3Confident42 Ų4252.7 Ų52.717%0.16527%0.273CS..EExtended strand (participates in β ladder)trans-124.5141.5-177.4-71.1-93.1000112.2L645 I647 S651 L657 A668 R669 S678 I685L645-Y683 PolarHBondContact N-O 2.9Å; L645-Y683 PolarHBondContact O-N 3.33Å; I647-Y683 HydrophobicContact CD1-CD2 4.02Å; I647-Y683 HydrophobicContact CG1-CD2 3.98Å; S651-Y683 WeakPolarHBondContact OG-CE2 3.46Å; S651-Y683 PolarHBondContact OG-OH 3.4Å; L657-Y683 HydrophobicContact CD2-CD1 4.38Å; L657-Y683 HydrophobicContact CD2-CD2 4.33Å; L657-Y683 HydrophobicContact CD2-CE1 4.05Å; L657-Y683 HydrophobicContact CD2-CE2 4.02Å; A668-Y683 HydrophobicContact CB-CD1 3.99Å; R669-Y683 WeakPolarHBondContact O-CA 3.29Å; S678-Y683 VanDerWaalsContact OG-CD1 3.22Å; S678-Y683 WeakPolarHBondContact OG-CD1 3.38Å; S678-Y683 VanDerWaalsContact OG-CE1 3.3Å; S678-Y683 WeakPolarHBondContact OG-CE1 3.35Å; Y683-I685 HydrophobicContact CG-CD1 4.45Å; Y683-I685 PolarHBondContact O-N 3.48Å
684D94Very high86.8Confident22 Ų2252.9 Ų52.912%0.11827%0.272CS..EExtended strand (participates in β ladder)trans-77.2107158.6175.8-35.8000107.7R640 S642 V643 A668 R669R640-D684 IonicContact CZ-OD1 2.69Å; R640-D684 IonicContact CZ-OD2 3.66Å; R640-D684 IonicContact NH1-OD1 3.99Å; R640-D684 PolarHBondContact NH1-OD1 3.42Å; R640-D684 IonicContact NH1-OD2 3.05Å; R640-D684 PolarHBondContact NH1-OD2 3.22Å; R640-D684 IonicContact NH2-OD1 2.7Å; R640-D684 PolarHBondContact NH2-OD1 2.57Å; R640-D684 IonicContact NH2-OD2 3.21Å; R640-D684 PolarHBondContact NH2-OD2 3.2Å; R640-D684 VanDerWaalsContact NH2-OD2 3.11Å; S642-D684 WeakPolarHBondContact CB-OD1 3.48Å; V643-D684 WeakPolarHBondContact O-CA 3.43Å; A668-D684 CarbonylContact C-O 3.54Å; A668-D684 WeakPolarHBondContact CA-O 3.29Å; R669-D684 HydrophobicContact CB-CB 4.26Å; R669-D684 PolarHBondContact N-O 2.95Å; R669-D684 PolarHBondContact O-N 3.05Å
685I96.5Very high88.5Confident0 Ų048.6 Ų48.60%025%0.252CS..EExtended strand (participates in β ladder)trans-99.5125.7175.8-56-58.4000108.4S642 V643 L645 L666 A668 Y683 V706 M709S642-I685 CarbonylContact C-O 3.56Å; S642-I685 WeakPolarHBondContact CA-O 3.43Å; V643-I685 HydrophobicContact CG2-CB 4.14Å; V643-I685 PolarHBondContact N-O 2.83Å; V643-I685 PolarHBondContact O-N 3.22Å; L645-I685 HydrophobicContact CB-CG1 4Å; L645-I685 HydrophobicContact CD2-CG1 3.91Å; L666-I685 HydrophobicContact CB-CG2 4.48Å; L666-I685 HydrophobicContact CD1-CG2 3.82Å; A668-I685 HydrophobicContact CB-CD1 3.58Å; Y683-I685 HydrophobicContact CG-CD1 4.45Å; Y683-I685 PolarHBondContact O-N 3.48Å; I685-V706 HydrophobicContact CB-CG2 4.24Å; I685-V706 HydrophobicContact CG2-CG2 3.74Å; I685-M709 HydrophobicContact CD1-CE 4.46Å; I685-M709 HydrophobicContact CD1-SD 4.1Å; I685-M709 HydrophobicContact CG1-SD 4.07Å; I685-M709 HydrophobicContact CG2-CE 4.05Å; I685-M709 HydrophobicContact CG2-SD 4.03Å
686S96.3Very high90.3Very high0 Ų041.9 Ų41.90%022%0.222CC..EExtended strand (participates in β ladder)trans-139.9157-17861.70000112.8R640 A641 L666 Q667R640-S686 PolarHBondContact NE-OG 3.48Å; R640-S686 PolarHBondContact NH2-OG 3.09Å; A641-S686 WeakPolarHBondContact O-CA 3.31Å; A641-S686 VanDerWaalsContact O-CB 3.24Å; A641-S686 WeakPolarHBondContact O-CB 3.39Å; L666-S686 CarbonylContact C-O 3.49Å; L666-S686 WeakPolarHBondContact CA-O 3.43Å; L666-S686 WeakPolarHBondContact CB-O 3.37Å; Q667-S686 PolarHBondContact N-O 3.38Å; Q667-S686 PolarHBondContact O-N 3.36Å; Q667-S686 PolarHBondContact O-OG 2.93Å
687N95.6Very high91.7Very high0 Ų044 Ų440%023%0.228CC..EExtended strand (participates in β ladder)trans-58.9143.716760.7-39.6000109.8M639 R640 A641 L666 R689 R690 A698 M702M639-N687 PolarHBondContact O-ND2 3.4Å; R640-N687 WeakPolarHBondContact CA-OD1 3.45Å; A641-N687 PolarHBondContact N-OD1 2.65Å; A641-N687 PolarHBondContact O-N 3.38Å; A641-N687 PolarHBondContact O-OD1 3.19Å; A641-N687 VanDerWaalsContact O-OD1 3.14Å; L666-N687 HydrophobicContact CD2-CB 4.39Å; N687-R689 PolarHBondContact ND2-O 3.32Å; N687-R689 VanDerWaalsContact ND2-O 3.07Å; N687-R690 VanDerWaalsContact C-NH1 3.27Å; N687-R690 PolarHBondContact ND2-NH1 2.97Å; N687-R690 PolarHBondContact O-NH1 3.42Å; N687-R690 PolarHBondContact O-NH2 3.3Å; N687-R690 PolarHBondContact OD1-NH1 3.47Å; N687-A698 WeakPolarHBondContact ND2-CB 3.19Å; N687-M702 HydrophobicContact CB-CB 4.21Å
688K89.6Confident92.6Very high121 Ų12135.7 Ų35.753%0.52619%0.189SC..  trans-89.4-43.9175.1-174.1179.1176.2179.50111.5M665 R690M665-K688 WeakPolarHBondContact O-CA 3.45Å; M665-K688 WeakPolarHBondContact O-CB 3.47Å; M665-K688 PolarHBondContact O-N 3.42Å; K688-R690 PolarHBondContact O-NH1 3.02Å
689R90.7Very high93.7Very high89 Ų8934.4 Ų34.434%0.33618%0.18SC..  trans-74144.8-177.4-65-173.4-68-169.9-8.9112.1M665 N687 L693 E701M665-R689 HydrophobicContact CB-CG 4.21Å; N687-R689 PolarHBondContact ND2-O 3.32Å; N687-R689 VanDerWaalsContact ND2-O 3.07Å; R689-L693 HydrophobicContact CB-CD1 4.13Å; R689-L693 HydrophobicContact CB-CD2 3.93Å; R689-E701 IonicContact CZ-OE1 3.57Å; R689-E701 IonicContact CZ-OE2 2.65Å; R689-E701 VanDerWaalsContact CZ-OE2 3.31Å; R689-E701 IonicContact NE-OE1 3.23Å; R689-E701 IonicContact NE-OE2 3.87Å; R689-E701 PolarHBondContact NE-OE2 2.94Å; R689-E701 IonicContact NH2-OE1 2.7Å; R689-E701 PolarHBondContact NH2-OE1 3.01Å; R689-E701 IonicContact NH2-OE2 3.83Å; R689-E701 PolarHBondContact NH2-OE2 3.3Å
690R95.6Very high94.6Very high11 Ų1134.6 Ų34.64%0.04218%0.175CC..  trans-131.8-38.7177.1-56.1-71.8177.6-89.5-4111.8L635 T637 M639 R640 N687 K688L635-R690 VanDerWaalsContact O-CB 3.24Å; L635-R690 WeakPolarHBondContact O-CB 3.28Å; T637-R690 WeakPolarHBondContact CG2-O 3.41Å; T637-R690 PolarHBondContact N-O 2.77Å; T637-R690 PolarHBondContact OG1-O 3.11Å; M639-R690 VanDerWaalsContact C-CD 3.5Å; M639-R690 WeakPolarHBondContact O-CD 3.38Å; M639-R690 VanDerWaalsContact O-CZ 3.25Å; M639-R690 PolarHBondContact O-NE 3.3Å; M639-R690 PolarHBondContact O-NH1 2.96Å; R640-R690 VanDerWaalsContact CG-NH2 3.31Å; N687-R690 VanDerWaalsContact C-NH1 3.27Å; N687-R690 PolarHBondContact ND2-NH1 2.97Å; N687-R690 PolarHBondContact O-NH1 3.42Å; N687-R690 PolarHBondContact O-NH2 3.3Å; N687-R690 PolarHBondContact OD1-NH1 3.47Å; K688-R690 PolarHBondContact O-NH1 3.02Å
691L95.7Very high95.3Very high4 Ų429.1 Ų29.12%0.02115%0.145CC..SBendtrans-99.2151.6173.9-169.472.9000109.2I444 H448 V450 F455 H457 Y625 L635 L693I444-L691 HydrophobicContact CG2-CD2 3.53Å; H448-L691 HydrophobicContact CB-CB 4.05Å; H448-L691 HydrophobicContact CB-CD2 4.27Å; V450-L691 HydrophobicContact CG2-CD2 4.18Å; F455-L691 HydrophobicContact CE1-CD1 4.17Å; F455-L691 HydrophobicContact CE1-CD2 4.45Å; F455-L691 HydrophobicContact CE1-CG 3.96Å; H457-L691 HydrophobicContact CB-CD1 4.08Å; Y625-L691 WeakPolarHBondContact O-CD1 3.28Å; L635-L691 HydrophobicContact CB-CD1 4.5Å; L691-L693 VanDerWaalsContact O-CD2 3.27Å; L691-L693 WeakPolarHBondContact O-CD2 3.31Å
692G93.8Very high95.7Very high39 Ų3928.8 Ų28.840%0.40214%0.142SC..SBendtrans99.9-11.4-178.200000116.5
693L94.7Very high95.9Very high5 Ų528.4 Ų28.43%0.02614%0.139CC..SBendtrans-151160.5-167.171.9177.6000111.3H457 T637 R689 L691 Q697 A698 E701H457-L693 PolarHBondContact CE1-O 3.15Å; T637-L693 VanDerWaalsContact CG2-O 3.23Å; T637-L693 WeakPolarHBondContact CG2-O 3.47Å; R689-L693 HydrophobicContact CB-CD1 4.13Å; R689-L693 HydrophobicContact CB-CD2 3.93Å; L691-L693 VanDerWaalsContact O-CD2 3.27Å; L691-L693 WeakPolarHBondContact O-CD2 3.31Å; L693-Q697 HydrophobicContact CB-CB 4.06Å; L693-Q697 HydrophobicContact CD1-CB 4.37Å; L693-Q697 HydrophobicContact CG-CB 4.49Å; L693-A698 HydrophobicContact CD1-CB 3.9Å; L693-A698 HydrophobicContact CG-CB 4.18Å; L693-E701 WeakPolarHBondContact CD1-OE1 3.43Å
694T97.6Very high96.1Very high19 Ų1931 Ų3112%0.11715%0.153CC..  trans-78.1165.4175.567.40000112.3P458 T461 L696 Q697 A698P458-T694 HydrophobicContact CB-CG2 3.93Å; P458-T694 HydrophobicContact CG-CG2 3.89Å; T461-T694 HydrophobicContact CG2-CG2 4.16Å; T694-L696 VanDerWaalsContact C-N 3.29Å; T694-L696 PolarHBondContact O-N 3.45Å; T694-Q697 PolarHBondContact O-N 3.5Å; T694-Q697 VanDerWaalsContact OG1-CG 3.31Å; T694-Q697 WeakPolarHBondContact OG1-CG 3.16Å; T694-Q697 PolarHBondContact OG1-N 3.46Å; T694-Q697 VanDerWaalsContact OG1-N 3.17Å; T694-Q697 PolarHBondContact OG1-OE1 3.25Å; T694-A698 WeakPolarHBondContact O-CB 3.45Å; T694-A698 PolarHBondContact O-N 3.21Å
695E98.5Very high96.2Very high1 Ų130 Ų301%0.00515%0.148CC..Hα-helixtrans-57.9-42.2172.9-69.485.1174.700112.3T461 F462 T637 M639 Q697 A698 A699T461-E695 PolarHBondContact N-OE2 3.3Å; F462-E695 HydrophobicContact CD1-CB 3.86Å; F462-E695 HydrophobicContact CD1-CG 3.73Å; F462-E695 HydrophobicContact CE1-CB 4.37Å; F462-E695 HydrophobicContact CE1-CG 3.71Å; T637-E695 HydrophobicContact CG2-CG 3.96Å; M639-E695 HydrophobicContact CE-CB 3.65Å; M639-E695 HydrophobicContact CE-CG 3.71Å; M639-E695 HydrophobicContact SD-CB 4.12Å; E695-Q697 VanDerWaalsContact C-N 3.34Å; E695-Q697 PolarHBondContact O-N 3.45Å; E695-A698 PolarHBondContact O-N 3.41Å; E695-A699 PolarHBondContact O-N 2.93Å
696L98.3Very high96.3Very high40 Ų4030 Ų3021%0.20915%0.148CC..Hα-helixtrans-61.9-42.8177.4-169.966.8000111.5T461 L468 P469 F470 Y603 T694 H700T461-L696 PolarHBondContact O-N 3.05Å; L468-L696 HydrophobicContact CD2-CD1 3.86Å; P469-L696 HydrophobicContact CG-CD1 3.85Å; P469-L696 HydrophobicContact CG-CD2 4.37Å; P469-L696 HydrophobicContact CG-CG 4.09Å; F470-L696 HydrophobicContact CE1-CD1 4.01Å; F470-L696 HydrophobicContact CZ-CD1 4.22Å; Y603-L696 PolarHBondContact OH-N 2.7Å; T694-L696 VanDerWaalsContact C-N 3.29Å; T694-L696 PolarHBondContact O-N 3.45Å; L696-H700 WeakPolarHBondContact O-CB 3.4Å; L696-H700 PolarHBondContact O-N 3.4Å
697Q97.3Very high96.3Very high97 Ų9732 Ų3245%0.45317%0.165SC..Hα-helixtrans-65.6-44.6176.3-74.2171.2-32.500111.6L693 T694 E695 A699 H700 E701L693-Q697 HydrophobicContact CB-CB 4.06Å; L693-Q697 HydrophobicContact CD1-CB 4.37Å; L693-Q697 HydrophobicContact CG-CB 4.49Å; T694-Q697 PolarHBondContact O-N 3.5Å; T694-Q697 VanDerWaalsContact OG1-CG 3.31Å; T694-Q697 WeakPolarHBondContact OG1-CG 3.16Å; T694-Q697 PolarHBondContact OG1-N 3.46Å; T694-Q697 VanDerWaalsContact OG1-N 3.17Å; T694-Q697 PolarHBondContact OG1-OE1 3.25Å; E695-Q697 VanDerWaalsContact C-N 3.34Å; E695-Q697 PolarHBondContact O-N 3.45Å; Q697-A699 VanDerWaalsContact C-N 3.34Å; Q697-A699 PolarHBondContact O-N 3.14Å; Q697-H700 PolarHBondContact O-N 3.05Å; Q697-E701 WeakPolarHBondContact O-CB 3.22Å; Q697-E701 WeakPolarHBondContact O-CG 3.38Å; Q697-E701 PolarHBondContact O-N 2.9Å
698A97.3Very high96.4Very high0 Ų035.1 Ų35.10%018%0.178CC..Hα-helixtrans-58.7-43.3177.700000112.6N687 L693 T694 E695 M702N687-A698 WeakPolarHBondContact ND2-CB 3.19Å; L693-A698 HydrophobicContact CD1-CB 3.9Å; L693-A698 HydrophobicContact CG-CB 4.18Å; T694-A698 WeakPolarHBondContact O-CB 3.45Å; T694-A698 PolarHBondContact O-N 3.21Å; E695-A698 PolarHBondContact O-N 3.41Å; A698-M702 PolarHBondContact O-N 3.38Å
699A98.2Very high96.7Very high0 Ų029.3 Ų29.30%015%0.153CC..Hα-helixtrans-69.8-40.3175.300000112.2F470 Y603 M639 E695 Q697 M702 A703F470-A699 HydrophobicContact CE1-CB 3.67Å; F470-A699 HydrophobicContact CZ-CB 3.66Å; Y603-A699 HydrophobicContact CD2-CB 3.73Å; Y603-A699 HydrophobicContact CE2-CB 3.68Å; M639-A699 HydrophobicContact SD-CB 4.42Å; E695-A699 PolarHBondContact O-N 2.93Å; Q697-A699 VanDerWaalsContact C-N 3.34Å; Q697-A699 PolarHBondContact O-N 3.14Å; A699-M702 PolarHBondContact O-N 3.02Å; A699-A703 WeakPolarHBondContact O-CB 3.31Å; A699-A703 PolarHBondContact O-N 3.31Å
700H97.8Very high97Very high70 Ų7025.3 Ų25.332%0.32414%0.138SC..Hα-helixtrans-65.6-39.6178.6-176.2-101.4000112.8F470 L696 Q697 M702 A703 E704F470-H700 HydrophobicContact CD1-CB 4.21Å; F470-H700 HydrophobicContact CE1-CB 4.35Å; L696-H700 WeakPolarHBondContact O-CB 3.4Å; L696-H700 PolarHBondContact O-N 3.4Å; Q697-H700 PolarHBondContact O-N 3.05Å; H700-M702 VanDerWaalsContact C-N 3.33Å; H700-M702 PolarHBondContact O-N 3.44Å; H700-A703 WeakPolarHBondContact O-CB 3.38Å; H700-A703 PolarHBondContact O-N 2.98Å; H700-E704 IonicContact CE1-OE2 3.75Å; H700-E704 PolarHBondContact O-N 3.08Å
701E97Very high97Very high31 Ų3130.1 Ų30.115%0.14516%0.161CC..Hα-helixtrans-59.7-43.2174.6-77.2175.8-160.700112.1R689 L693 Q697 G705R689-E701 IonicContact CZ-OE1 3.57Å; R689-E701 IonicContact CZ-OE2 2.65Å; R689-E701 VanDerWaalsContact CZ-OE2 3.31Å; R689-E701 IonicContact NE-OE1 3.23Å; R689-E701 IonicContact NE-OE2 3.87Å; R689-E701 PolarHBondContact NE-OE2 2.94Å; R689-E701 IonicContact NH2-OE1 2.7Å; R689-E701 PolarHBondContact NH2-OE1 3.01Å; R689-E701 IonicContact NH2-OE2 3.83Å; R689-E701 PolarHBondContact NH2-OE2 3.3Å; L693-E701 WeakPolarHBondContact CD1-OE1 3.43Å; Q697-E701 WeakPolarHBondContact O-CB 3.22Å; Q697-E701 WeakPolarHBondContact O-CG 3.38Å; Q697-E701 PolarHBondContact O-N 2.9Å; E701-G705 PolarHBondContact O-N 3.49Å; E701-G705 VanDerWaalsContact O-N 3.15Å
702M97.9Very high97Very high0 Ų031.5 Ų31.50%017%0.168CC..Hα-helixtrans-62.8-46.9173.6-171.6-81.8-71.900111L599 A641 V643 L666 N687 A698 A699 H700 E704 G705 V706L599-M702 HydrophobicContact CD1-CE 3.66Å; L599-M702 HydrophobicContact CD2-CE 3.67Å; L599-M702 HydrophobicContact CG-CE 4.27Å; A641-M702 HydrophobicContact CB-CB 4.14Å; A641-M702 HydrophobicContact CB-CE 3.69Å; A641-M702 HydrophobicContact CB-CG 4.28Å; V643-M702 HydrophobicContact CG1-CE 4.18Å; V643-M702 HydrophobicContact CG1-SD 4.1Å; V643-M702 HydrophobicContact CG2-SD 4.42Å; L666-M702 HydrophobicContact CD2-CB 4.42Å; N687-M702 HydrophobicContact CB-CB 4.21Å; A698-M702 PolarHBondContact O-N 3.38Å; A699-M702 PolarHBondContact O-N 3.02Å; H700-M702 VanDerWaalsContact C-N 3.33Å; H700-M702 PolarHBondContact O-N 3.44Å; M702-E704 PolarHBondContact O-N 2.99Å; M702-G705 PolarHBondContact O-N 2.88Å; M702-V706 HydrophobicContact CG-CG2 4.31Å; M702-V706 WeakPolarHBondContact O-CB 3.47Å; M702-V706 VanDerWaalsContact O-CG2 3.29Å; M702-V706 WeakPolarHBondContact O-CG2 3.32Å; M702-V706 PolarHBondContact O-N 2.92Å; M702-V706 HydrophobicContact SD-CB 4.31Å; M702-V706 HydrophobicContact SD-CG2 3.58Å; M702-V706 VanDerWaalsContact SD-CG2 3.58Å
703A98.1Very high97.1Very high5 Ų530 Ų304%0.04115%0.151CC..Hα-helixtrans-57.4-49.2-179.900000112.4F470 L473 L599 A699 H700 A707F470-A703 HydrophobicContact CB-CB 3.92Å; F470-A703 HydrophobicContact CD1-CB 4.4Å; F470-A703 HydrophobicContact CG-CB 4.36Å; L473-A703 HydrophobicContact CD1-CB 4.31Å; L473-A703 HydrophobicContact CD2-CB 3.96Å; L599-A703 HydrophobicContact CD2-CB 3.75Å; A699-A703 WeakPolarHBondContact O-CB 3.31Å; A699-A703 PolarHBondContact O-N 3.31Å; H700-A703 WeakPolarHBondContact O-CB 3.38Å; H700-A703 PolarHBondContact O-N 2.98Å; A703-A707 VanDerWaalsContact O-CB 3.29Å; A703-A707 WeakPolarHBondContact O-CB 3.44Å; A703-A707 PolarHBondContact O-N 2.84Å
704E97.4Very high97.1Very high97 Ų9736 Ų3645%0.45318%0.176SC..Hα-helixtrans-65.6-45.2-178-163.7-172.7160.500111.5Y664 H700 M702 A707 K708Y664-E704 HydrophobicContact CD1-CB 4.43Å; Y664-E704 HydrophobicContact CD1-CG 4.43Å; Y664-E704 HydrophobicContact CE1-CB 4.27Å; Y664-E704 HydrophobicContact CE1-CG 3.8Å; H700-E704 IonicContact CE1-OE2 3.75Å; H700-E704 PolarHBondContact O-N 3.08Å; M702-E704 PolarHBondContact O-N 2.99Å; E704-A707 PolarHBondContact O-N 2.97Å; E704-K708 PolarHBondContact O-N 2.86Å
705G96.9Very high97Very high0 Ų038.5 Ų38.50%021%0.207CC..Hα-helixtrans-67.7-38.6179.500000113E701 M702 K708 M709E701-G705 PolarHBondContact O-N 3.49Å; E701-G705 VanDerWaalsContact O-N 3.15Å; M702-G705 PolarHBondContact O-N 2.88Å; G705-K708 PolarHBondContact O-N 3.4Å; G705-M709 WeakPolarHBondContact O-CG 3.06Å; G705-M709 PolarHBondContact O-N 3.07Å
706V97.8Very high96.7Very high0 Ų042 Ų420%023%0.225CC..Hα-helixtrans-66.6-44.7174.3167.80000111.3L473 I480 V643 L645 I685 M702 K708 M709 I710L473-V706 HydrophobicContact CD1-CB 4.43Å; L473-V706 HydrophobicContact CD1-CG1 4.18Å; I480-V706 HydrophobicContact CD1-CG1 4.06Å; V643-V706 HydrophobicContact CG2-CB 4.4Å; V643-V706 HydrophobicContact CG2-CG1 3.9Å; V643-V706 HydrophobicContact CG2-CG2 3.56Å; L645-V706 HydrophobicContact CD1-CG1 4.28Å; L645-V706 HydrophobicContact CD2-CG1 4.46Å; I685-V706 HydrophobicContact CB-CG2 4.24Å; I685-V706 HydrophobicContact CG2-CG2 3.74Å; M702-V706 HydrophobicContact CG-CG2 4.31Å; M702-V706 WeakPolarHBondContact O-CB 3.47Å; M702-V706 VanDerWaalsContact O-CG2 3.29Å; M702-V706 WeakPolarHBondContact O-CG2 3.32Å; M702-V706 PolarHBondContact O-N 2.92Å; M702-V706 HydrophobicContact SD-CB 4.31Å; M702-V706 HydrophobicContact SD-CG2 3.58Å; M702-V706 VanDerWaalsContact SD-CG2 3.58Å; V706-K708 PolarHBondContact O-N 2.63Å; V706-M709 PolarHBondContact O-N 3.17Å; V706-M709 VanDerWaalsContact O-N 3.15Å; V706-I710 HydrophobicContact CG1-CD1 3.89Å; V706-I710 HydrophobicContact CG1-CG1 4.47Å; V706-I710 WeakPolarHBondContact O-CG1 3.45Å; V706-I710 PolarHBondContact O-N 2.75Å
707A96.9Very high96.6Very high44 Ų4442.1 Ų42.136%0.36423%0.226SC..Hα-helixtrans-57.5-40.5175.700000111A703 E704 I710 E711A703-A707 VanDerWaalsContact O-CB 3.29Å; A703-A707 WeakPolarHBondContact O-CB 3.44Å; A703-A707 PolarHBondContact O-N 2.84Å; E704-A707 PolarHBondContact O-N 2.97Å; A707-I710 PolarHBondContact O-N 3.05Å; A707-E711 PolarHBondContact O-N 2.79Å
708K96.5Very high96.5Very high64 Ų6439.2 Ų39.228%0.27821%0.214SC..Hα-helixtrans-68.3-39.7176-169.259.3178.9179.60113.2Y664 E704 G705 V706 I710 E711 I712Y664-K708 HydrophobicContact CE2-CB 4.09Å; Y664-K708 HydrophobicContact CE2-CG 4.04Å; E704-K708 PolarHBondContact O-N 2.86Å; G705-K708 PolarHBondContact O-N 3.4Å; V706-K708 PolarHBondContact O-N 2.63Å; K708-I710 VanDerWaalsContact C-N 3.32Å; K708-I710 PolarHBondContact O-N 3.25Å; K708-E711 WeakPolarHBondContact CD-OE2 3.33Å; K708-E711 IonicContact NZ-OE1 3.61Å; K708-E711 PolarHBondContact NZ-OE1 3.1Å; K708-E711 IonicContact NZ-OE2 2.59Å; K708-E711 PolarHBondContact NZ-OE2 3.21Å; K708-E711 PolarHBondContact O-N 3.34Å; K708-I712 HydrophobicContact CG-CD1 4.15Å; K708-I712 WeakPolarHBondContact O-CG1 3.23Å; K708-I712 PolarHBondContact O-N 3.16Å
709M97.2Very high96.5Very high0 Ų041.4 Ų41.40%023%0.226CC..Hα-helixtrans-60.1-42.9173.8-73.8178.6-165.400111.4L645 L650 L657 I660 C661 L666 I685 G705 V706 I712 E713L645-M709 HydrophobicContact CD2-CB 4.01Å; L645-M709 HydrophobicContact CD2-SD 4.05Å; L650-M709 HydrophobicContact CD2-CB 4.36Å; L650-M709 HydrophobicContact CD2-CG 4.22Å; L657-M709 HydrophobicContact CD1-CE 4.23Å; L657-M709 HydrophobicContact CD1-SD 4.17Å; I660-M709 HydrophobicContact CB-CE 4.38Å; I660-M709 HydrophobicContact CG2-CE 3.69Å; I660-M709 HydrophobicContact CG2-CG 3.72Å; C661-M709 VanDerWaalsContact SG-CE 3.58Å; L666-M709 HydrophobicContact CD1-CE 3.84Å; I685-M709 HydrophobicContact CD1-CE 4.46Å; I685-M709 HydrophobicContact CD1-SD 4.1Å; I685-M709 HydrophobicContact CG1-SD 4.07Å; I685-M709 HydrophobicContact CG2-CE 4.05Å; I685-M709 HydrophobicContact CG2-SD 4.03Å; G705-M709 WeakPolarHBondContact O-CG 3.06Å; G705-M709 PolarHBondContact O-N 3.07Å; V706-M709 PolarHBondContact O-N 3.17Å; V706-M709 VanDerWaalsContact O-N 3.15Å; M709-I712 PolarHBondContact O-N 3.28Å; M709-E713 WeakPolarHBondContact O-CB 3.35Å; M709-E713 PolarHBondContact O-N 2.88Å
710I96.9Very high96.4Very high5 Ų543.8 Ų43.83%0.02624%0.239CC..Hα-helixtrans-64.1-41.8176.8-68.4169.2000111.3D474 F479 I480 L645 V706 A707 K708 I712 E713 K714D474-I710 HydrophobicContact CB-CD1 4.45Å; F479-I710 HydrophobicContact CB-CD1 4.17Å; F479-I710 HydrophobicContact CB-CG1 3.99Å; F479-I710 HydrophobicContact CD1-CG2 4.45Å; F479-I710 HydrophobicContact CD2-CG2 3.65Å; F479-I710 HydrophobicContact CE2-CG2 3.85Å; F479-I710 HydrophobicContact CG-CG1 4.15Å; F479-I710 HydrophobicContact CG-CG2 3.99Å; F479-I710 HydrophobicContact CZ-CG2 4.32Å; I480-I710 HydrophobicContact CD1-CD1 3.99Å; I480-I710 HydrophobicContact CG1-CD1 4.12Å; L645-I710 HydrophobicContact CD1-CD1 3.98Å; L645-I710 HydrophobicContact CD1-CG1 3.79Å; V706-I710 HydrophobicContact CG1-CD1 3.89Å; V706-I710 HydrophobicContact CG1-CG1 4.47Å; V706-I710 WeakPolarHBondContact O-CG1 3.45Å; V706-I710 PolarHBondContact O-N 2.75Å; A707-I710 PolarHBondContact O-N 3.05Å; K708-I710 VanDerWaalsContact C-N 3.32Å; K708-I710 PolarHBondContact O-N 3.25Å; I710-I712 VanDerWaalsContact C-N 3.33Å; I710-I712 PolarHBondContact O-N 2.64Å; I710-E713 PolarHBondContact O-N 3.44Å; I710-K714 HydrophobicContact CG2-CD 4.25Å; I710-K714 WeakPolarHBondContact O-CG 3.22Å; I710-K714 PolarHBondContact O-N 2.9Å
711E95.9Very high96.3Very high111 Ų11142.2 Ų42.252%0.51923%0.234SC..Hα-helixtrans-59.6-44.2175.4-170.1-161.2141.500111.4A707 K708 K714 G715A707-E711 PolarHBondContact O-N 2.79Å; K708-E711 WeakPolarHBondContact CD-OE2 3.33Å; K708-E711 IonicContact NZ-OE1 3.61Å; K708-E711 PolarHBondContact NZ-OE1 3.1Å; K708-E711 IonicContact NZ-OE2 2.59Å; K708-E711 PolarHBondContact NZ-OE2 3.21Å; K708-E711 PolarHBondContact O-N 3.34Å; E711-K714 PolarHBondContact O-N 3.37Å; E711-G715 PolarHBondContact O-N 3.38Å
712I95.8Very high96.3Very high33 Ų3342.9 Ų42.917%0.16924%0.24CC..Hα-helixtrans-66.3-42.9178.1-67.4168.1000111L650 I660 K708 M709 I710 K714 G715 L716L650-I712 HydrophobicContact CD1-CG2 4.1Å; I660-I712 HydrophobicContact CD1-CD1 3.46Å; I660-I712 VanDerWaalsContact CD1-CD1 3.46Å; I660-I712 HydrophobicContact CG1-CD1 4.1Å; K708-I712 HydrophobicContact CG-CD1 4.15Å; K708-I712 WeakPolarHBondContact O-CG1 3.23Å; K708-I712 PolarHBondContact O-N 3.16Å; M709-I712 PolarHBondContact O-N 3.28Å; I710-I712 VanDerWaalsContact C-N 3.33Å; I710-I712 PolarHBondContact O-N 2.64Å; I712-K714 PolarHBondContact O-N 3.45Å; I712-G715 PolarHBondContact O-N 3.46Å; I712-G715 VanDerWaalsContact O-N 3.09Å; I712-L716 HydrophobicContact CG2-CD1 4.11Å; I712-L716 HydrophobicContact CG2-CG 4.4Å; I712-L716 WeakPolarHBondContact O-CG 3.14Å; I712-L716 PolarHBondContact O-N 3.08Å
713E96.3Very high96.2Very high8 Ų846 Ų464%0.03726%0.257CS..Hα-helixtrans-61.2-32.1177.5-175.164.8-16500112.6F479 I647 P648 K649 L650 M709 I710 L716F479-E713 HydrophobicContact CD1-CG 3.99Å; F479-E713 HydrophobicContact CE1-CB 4.23Å; F479-E713 HydrophobicContact CE1-CG 3.72Å; I647-E713 HydrophobicContact CB-CG 4.4Å; I647-E713 HydrophobicContact CG2-CB 4.02Å; I647-E713 HydrophobicContact CG2-CG 4Å; P648-E713 WeakPolarHBondContact CD-OE1 3.32Å; K649-E713 VanDerWaalsContact CB-OE1 3.28Å; K649-E713 WeakPolarHBondContact CB-OE1 3.38Å; K649-E713 WeakPolarHBondContact CB-OE2 3.36Å; K649-E713 VanDerWaalsContact CG-OE1 3.27Å; K649-E713 WeakPolarHBondContact CG-OE1 3.5Å; K649-E713 PolarHBondContact N-OE1 3.47Å; K649-E713 PolarHBondContact N-OE2 3.4Å; L650-E713 WeakPolarHBondContact CB-OE2 3.07Å; L650-E713 PolarHBondContact N-OE2 2.86Å; M709-E713 WeakPolarHBondContact O-CB 3.35Å; M709-E713 PolarHBondContact O-N 2.88Å; I710-E713 PolarHBondContact O-N 3.44Å; E713-L716 VanDerWaalsContact O-OXT 3.05Å
714K94.5Very high96Very high130 Ų13049.2 Ų49.257%0.56527%0.273SS*.Hα-helixtrans-73.9-30.2174.5-72.7170.1-178173.10113.2F479 I710 E711 I712F479-K714 HydrophobicContact CE1-CG 4.31Å; F479-K714 HydrophobicContact CE2-CD 4.36Å; F479-K714 HydrophobicContact CE2-CG 4.19Å; F479-K714 HydrophobicContact CZ-CD 4.21Å; F479-K714 HydrophobicContact CZ-CG 3.55Å; I710-K714 HydrophobicContact CG2-CD 4.25Å; I710-K714 WeakPolarHBondContact O-CG 3.22Å; I710-K714 PolarHBondContact O-N 2.9Å; E711-K714 PolarHBondContact O-N 3.37Å; I712-K714 PolarHBondContact O-N 3.45Å
715G94.2Very high95.9Very high73 Ų7345.2 Ų45.275%0.75326%0.258SS*.Hα-helixtrans-83.8-28.9-178.300000113.8E711 I712E711-G715 PolarHBondContact O-N 3.38Å; I712-G715 PolarHBondContact O-N 3.46Å; I712-G715 VanDerWaalsContact O-N 3.09Å
716L91.9Very high95.8Very high74 Ų7449.3 Ų49.339%0.38728%0.282SS..  trans-71.70160.2-60.8174000108.9K649 L650 I712 E713K649-L716 HydrophobicContact CB-CB 3.86Å; K649-L716 HydrophobicContact CB-CD1 4.12Å; K649-L716 VanDerWaalsContact CD-C 3.45Å; K649-L716 HydrophobicContact CD-CB 3.84Å; K649-L716 WeakPolarHBondContact CD-O 3.5Å; K649-L716 WeakPolarHBondContact CD-OXT 3.25Å; K649-L716 PolarHBondContact NZ-O 3.07Å; K649-L716 PolarHBondContact NZ-OXT 3.33Å; L650-L716 HydrophobicContact CB-CD1 4.31Å; I712-L716 HydrophobicContact CG2-CD1 4.11Å; I712-L716 HydrophobicContact CG2-CG 4.4Å; I712-L716 WeakPolarHBondContact O-CG 3.14Å; I712-L716 PolarHBondContact O-N 3.08Å; E713-L716 VanDerWaalsContact O-OXT 3.05Å

Retrieved 716 of 716 residues in 587.9 ms (Link to these results)

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