A0A077Z053_TRITR Loading...

Protein NHR-246, isoform a

AlphaFold DB , UniProt , Accession A0A077Z053, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 427 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M66.3Low87.5Confident76 Ų7670.6 Ų70.637%0.37439%0.392SS..  0-590-66.2-111.9-67.600111.2D3 E4 L5 A37 L47 F49M1-D3 PolarHBondContact O-N 2.67Å; M1-E4 WeakPolarHBondContact O-CB 3.22Å; M1-E4 PolarHBondContact O-N 3.46Å; M1-L5 PolarHBondContact O-N 2.97Å; M1-A37 HydrophobicContact CB-CB 4.02Å; M1-A37 HydrophobicContact CE-CB 3.65Å; M1-L47 HydrophobicContact CE-CD2 4.24Å; M1-L47 HydrophobicContact SD-CD1 4.36Å; M1-L47 HydrophobicContact SD-CD2 3.6Å; M1-L47 VanDerWaalsContact SD-CD2 3.6Å; M1-L47 HydrophobicContact SD-CG 4.44Å; M1-F49 HydrophobicContact CB-CE1 4.12Å; M1-F49 HydrophobicContact CB-CZ 4.39Å; M1-F49 WeakPolarHBondContact O-CZ 3.18Å
2P72.8Confident88.2Confident62 Ų6265.2 Ų65.240%0.40336%0.362SS..Hα-helixtrans-56.3-33.9174.5-2536000113.3E4 L5 N6P2-E4 VanDerWaalsContact C-N 3.25Å; P2-E4 PolarHBondContact O-N 3.1Å; P2-L5 PolarHBondContact O-N 3.29Å; P2-N6 PolarHBondContact O-N 3.26Å; P2-N6 VanDerWaalsContact O-N 3.08Å
3D83Confident88.8Confident128 Ų12865.5 Ų65.568%0.68436%0.359SS*.Hα-helixtrans-61-32.9176.2-48.9-48.6000112.9M1 A7M1-D3 PolarHBondContact O-N 2.67Å; D3-A7 WeakPolarHBondContact O-CB 3.33Å; D3-A7 PolarHBondContact O-N 3.09Å
4E87Confident89.3Confident62 Ų6266.9 Ų66.929%0.2937%0.365SS..Hα-helixtrans-70.8-41.8178.1-172.7-178.9155.500111.2M1 P2 N6 A7 R8 L47M1-E4 WeakPolarHBondContact O-CB 3.22Å; M1-E4 PolarHBondContact O-N 3.46Å; P2-E4 VanDerWaalsContact C-N 3.25Å; P2-E4 PolarHBondContact O-N 3.1Å; E4-N6 PolarHBondContact O-N 2.95Å; E4-A7 PolarHBondContact O-N 3.48Å; E4-R8 HydrophobicContact CG-CG 4.43Å; E4-R8 WeakPolarHBondContact O-CB 3.42Å; E4-R8 WeakPolarHBondContact O-CG 3.36Å; E4-R8 PolarHBondContact O-N 2.65Å; E4-R8 IonicContact OE1-NH1 3.43Å; E4-R8 PolarHBondContact OE1-NH1 3.46Å; E4-L47 VanDerWaalsContact OE2-CD1 3.23Å; E4-L47 WeakPolarHBondContact OE2-CD1 3.47Å
5L92Very high89.8Confident6 Ų664.7 Ų64.73%0.03135%0.351CS..Hα-helixtrans-58.9-49.1174.5178.961.9000110.6M1 P2 A7 R8 Y9 L12 V35 F49 I68 L70 I138M1-L5 PolarHBondContact O-N 2.97Å; P2-L5 PolarHBondContact O-N 3.29Å; L5-A7 VanDerWaalsContact C-N 3.35Å; L5-A7 PolarHBondContact O-N 2.95Å; L5-R8 PolarHBondContact O-N 2.92Å; L5-Y9 HydrophobicContact CD1-CD2 4.41Å; L5-Y9 PolarHBondContact O-N 3.37Å; L5-L12 HydrophobicContact CD1-CD2 3.76Å; L5-L12 HydrophobicContact CD2-CD2 3.98Å; L5-L12 HydrophobicContact CG-CD2 4Å; L5-V35 HydrophobicContact CD2-CB 4.26Å; L5-V35 HydrophobicContact CD2-CG1 3.5Å; L5-V35 VanDerWaalsContact CD2-CG1 3.5Å; L5-V35 HydrophobicContact CD2-CG2 4.08Å; L5-F49 HydrophobicContact CB-CE1 4.37Å; L5-F49 HydrophobicContact CB-CE2 4.39Å; L5-F49 HydrophobicContact CB-CZ 4.15Å; L5-F49 HydrophobicContact CD2-CD1 4.42Å; L5-F49 HydrophobicContact CD2-CD2 4.46Å; L5-F49 HydrophobicContact CD2-CG 4.26Å; L5-I68 HydrophobicContact CD1-CG2 4.15Å; L5-I68 HydrophobicContact CD2-CD1 4.27Å; L5-L70 HydrophobicContact CD1-CD1 3.58Å; L5-L70 HydrophobicContact CD1-CD2 3.87Å; L5-L70 HydrophobicContact CD1-CG 4.38Å; L5-I138 HydrophobicContact CD1-CD1 4.49Å
6N91.9Very high90.2Very high105 Ų10560.6 Ų60.656%0.56133%0.329SS*.Hα-helixtrans-66.7-35.5-179.8-17053.6000112.5P2 E4 Y9 P10P2-N6 PolarHBondContact O-N 3.26Å; P2-N6 VanDerWaalsContact O-N 3.08Å; E4-N6 PolarHBondContact O-N 2.95Å; N6-Y9 CarbonylContact O-C 3.51Å; N6-P10 VanDerWaalsContact O-CA 3.26Å; N6-P10 WeakPolarHBondContact O-CA 3.17Å; N6-P10 WeakPolarHBondContact O-CD 3.37Å; N6-P10 VanDerWaalsContact O-N 3.14Å
7A91.6Very high90.5Very high80 Ų8059.5 Ų59.566%0.66132%0.321SS*.Hα-helixtrans-66.9-38176.200000112.6D3 E4 L5D3-A7 WeakPolarHBondContact O-CB 3.33Å; D3-A7 PolarHBondContact O-N 3.09Å; E4-A7 PolarHBondContact O-N 3.48Å; L5-A7 VanDerWaalsContact C-N 3.35Å; L5-A7 PolarHBondContact O-N 2.95Å
8R92.8Very high90.7Very high21 Ų2162.8 Ų62.88%0.07933%0.334CS..Hα-helixtrans-83.3-31.2-179.5-66168.869.7175-1.5112.5E4 L5 P71 K135 G137E4-R8 HydrophobicContact CG-CG 4.43Å; E4-R8 WeakPolarHBondContact O-CB 3.42Å; E4-R8 WeakPolarHBondContact O-CG 3.36Å; E4-R8 PolarHBondContact O-N 2.65Å; E4-R8 IonicContact OE1-NH1 3.43Å; E4-R8 PolarHBondContact OE1-NH1 3.46Å; L5-R8 PolarHBondContact O-N 2.92Å; R8-P71 PolarHBondContact NH1-O 3.25Å; R8-K135 VanDerWaalsContact CZ-O 3.27Å; R8-K135 PolarHBondContact NE-O 3.42Å; R8-K135 PolarHBondContact NH2-O 3.4Å; R8-G137 PolarHBondContact NH2-O 2.91Å
9Y95.8Very high90.9Very high2 Ų265.6 Ų65.61%0.00834%0.34CS..  trans-134.167.4-177-67.5-95.2000112.1L5 N6 K11 L12 M126 E128 R136 G137 I138L5-Y9 HydrophobicContact CD1-CD2 4.41Å; L5-Y9 PolarHBondContact O-N 3.37Å; N6-Y9 CarbonylContact O-C 3.51Å; Y9-K11 PolarHBondContact O-N 3.42Å; Y9-K11 VanDerWaalsContact O-N 3.09Å; Y9-L12 HydrophobicContact CD1-CD1 4.24Å; Y9-L12 HydrophobicContact CG-CD1 4.43Å; Y9-L12 WeakPolarHBondContact O-CB 3.34Å; Y9-L12 PolarHBondContact O-N 2.96Å; Y9-L12 VanDerWaalsContact O-N 3.11Å; Y9-M126 HydrophobicContact CD1-CE 4.15Å; Y9-M126 HydrophobicContact CE1-CE 3.79Å; Y9-E128 WeakPolarHBondContact CE1-OE2 3.27Å; Y9-E128 PolarHBondContact OH-OE2 2.88Å; Y9-R136 VanDerWaalsContact CD1-CZ 3.46Å; Y9-R136 HydrophobicContact CE1-CG 4.35Å; Y9-R136 HydrophobicContact CE2-CG 4.41Å; Y9-R136 WeakPolarHBondContact OH-CB 3.49Å; Y9-G137 VanDerWaalsContact OH-C 3.31Å; Y9-G137 WeakPolarHBondContact OH-CA 3.4Å; Y9-G137 PolarHBondContact OH-N 3.06Å; Y9-I138 HydrophobicContact CD1-CD1 4.33Å; Y9-I138 HydrophobicContact CD2-CD1 4.26Å; Y9-I138 HydrophobicContact CE1-CB 4.13Å; Y9-I138 HydrophobicContact CE1-CD1 4.23Å; Y9-I138 HydrophobicContact CE1-CG2 3.7Å; Y9-I138 HydrophobicContact CE2-CB 3.9Å; Y9-I138 HydrophobicContact CE2-CD1 4.2Å; Y9-I138 HydrophobicContact CE2-CG2 4.38Å; Y9-I138 HydrophobicContact CG-CD1 4.37Å; Y9-I138 WeakPolarHBondContact OH-CB 3.49Å; Y9-I138 VanDerWaalsContact OH-CG2 3.27Å; Y9-I138 WeakPolarHBondContact OH-CG2 3.38Å; Y9-I138 PolarHBondContact OH-N 2.96Å
10P94.2Very high91.1Very high93 Ų9362.3 Ų62.360%0.60432%0.323SS*.THydrogen-bonded Turntrans-66-14.8-17726.3-35.9000114.2N6N6-P10 VanDerWaalsContact O-CA 3.26Å; N6-P10 WeakPolarHBondContact O-CA 3.17Å; N6-P10 WeakPolarHBondContact O-CD 3.37Å; N6-P10 VanDerWaalsContact O-N 3.14Å
11K95.2Very high91.1Very high142 Ų14260.3 Ų60.362%0.61731%0.314SS*.THydrogen-bonded Turntrans-11217.9177.4-64.1-174.7179.9-179.60113.1Y9 Q13 L14 E15Y9-K11 PolarHBondContact O-N 3.42Å; Y9-K11 VanDerWaalsContact O-N 3.09Å; K11-Q13 VanDerWaalsContact C-N 3.27Å; K11-Q13 PolarHBondContact O-N 2.91Å; K11-Q13 VanDerWaalsContact O-N 3.14Å; K11-L14 PolarHBondContact O-N 3.37Å; K11-E15 HydrophobicContact CB-CG 4.47Å; K11-E15 PolarHBondContact O-N 3.28Å
12L96.2Very high92.3Very high5 Ų560.1 Ų60.13%0.02633%0.325CS..Hα-helixtrans-53-41.5-171.9-173.459.1000113.7L5 Y9 L14 E15 L16 M33 I68 M126 I138L5-L12 HydrophobicContact CD1-CD2 3.76Å; L5-L12 HydrophobicContact CD2-CD2 3.98Å; L5-L12 HydrophobicContact CG-CD2 4Å; Y9-L12 HydrophobicContact CD1-CD1 4.24Å; Y9-L12 HydrophobicContact CG-CD1 4.43Å; Y9-L12 WeakPolarHBondContact O-CB 3.34Å; Y9-L12 PolarHBondContact O-N 2.96Å; Y9-L12 VanDerWaalsContact O-N 3.11Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L12-L14 PolarHBondContact O-N 3.41Å; L12-E15 PolarHBondContact O-N 2.98Å; L12-L16 HydrophobicContact CD1-CD1 4.08Å; L12-L16 HydrophobicContact CD1-CG 3.97Å; L12-L16 HydrophobicContact CD2-CD1 4.47Å; L12-L16 HydrophobicContact CG-CD1 3.87Å; L12-L16 HydrophobicContact CG-CG 4.18Å; L12-L16 WeakPolarHBondContact O-CB 3.2Å; L12-L16 WeakPolarHBondContact O-CG 3.43Å; L12-L16 PolarHBondContact O-N 3.42Å; L12-M33 HydrophobicContact CB-CE 4.1Å; L12-M33 HydrophobicContact CD2-CE 4.1Å; L12-M33 HydrophobicContact CG-CE 4.12Å; L12-I68 HydrophobicContact CD2-CD1 4.01Å; L12-M126 HydrophobicContact CD1-SD 4.08Å; L12-I138 HydrophobicContact CD1-CD1 3.82Å; L12-I138 HydrophobicContact CD2-CD1 4.46Å
13Q96Very high93Very high69 Ų6962.6 Ų62.632%0.32233%0.327SS..Hα-helixtrans-58.4-45.1178.7-176.5177.7-25.300111.8K11 Q17 L30 T31 M33K11-Q13 VanDerWaalsContact C-N 3.27Å; K11-Q13 PolarHBondContact O-N 2.91Å; K11-Q13 VanDerWaalsContact O-N 3.14Å; Q13-Q17 WeakPolarHBondContact O-CB 3.41Å; Q13-Q17 PolarHBondContact O-N 2.86Å; Q13-L30 HydrophobicContact CG-CD2 3.64Å; Q13-L30 HydrophobicContact CG-CG 3.89Å; Q13-L30 PolarHBondContact NE2-O 3.13Å; Q13-T31 PolarHBondContact NE2-O 3.46Å; Q13-M33 HydrophobicContact CB-CB 4.43Å; Q13-M33 HydrophobicContact CB-CE 4Å; Q13-M33 HydrophobicContact CB-SD 4.44Å; Q13-M33 HydrophobicContact CG-CB 4.1Å
14L95.8Very high93.3Very high85 Ų8559.7 Ų59.745%0.44531%0.306SS..Hα-helixtrans-67.6-46.2178.9-179.764000111K11 L12 L16 Q17 E18K11-L14 PolarHBondContact O-N 3.37Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L12-L14 PolarHBondContact O-N 3.41Å; L14-L16 VanDerWaalsContact C-N 3.3Å; L14-L16 PolarHBondContact O-N 3.38Å; L14-Q17 PolarHBondContact O-N 3.5Å; L14-E18 HydrophobicContact CD1-CG 4.5Å; L14-E18 WeakPolarHBondContact O-CG 3.5Å; L14-E18 PolarHBondContact O-N 3.44Å
15E96.3Very high93.5Very high34 Ų3465.5 Ų65.516%0.15933%0.331CS..Hα-helixtrans-60.4-40179.2-64.8-179.6-150.500111.7K11 L12 R19 M126 R136K11-E15 HydrophobicContact CB-CG 4.47Å; K11-E15 PolarHBondContact O-N 3.28Å; L12-E15 PolarHBondContact O-N 2.98Å; E15-R19 VanDerWaalsContact O-CG 3.29Å; E15-R19 WeakPolarHBondContact O-CG 3.1Å; E15-R19 PolarHBondContact O-N 2.89Å; E15-M126 WeakPolarHBondContact OE2-CE 3.24Å; E15-R136 IonicContact OE1-CZ 3.08Å; E15-R136 IonicContact OE1-NH1 2.69Å; E15-R136 PolarHBondContact OE1-NH1 3.41Å; E15-R136 VanDerWaalsContact OE1-NH1 3.1Å; E15-R136 IonicContact OE1-NH2 3.31Å; E15-R136 PolarHBondContact OE1-NH2 3.24Å; E15-R136 IonicContact OE2-CZ 3.01Å; E15-R136 IonicContact OE2-NH1 2.97Å; E15-R136 IonicContact OE2-NH2 3.64Å; E15-R136 PolarHBondContact OE2-NH2 3.3Å
16L96.5Very high93.5Very high0 Ų068.8 Ų68.80%034%0.343CS..Hα-helixtrans-68.7-44.1175.4-74.2177.5000112.1L12 L14 E18 R19 I20 M33 L66 M126 V140L12-L16 HydrophobicContact CD1-CD1 4.08Å; L12-L16 HydrophobicContact CD1-CG 3.97Å; L12-L16 HydrophobicContact CD2-CD1 4.47Å; L12-L16 HydrophobicContact CG-CD1 3.87Å; L12-L16 HydrophobicContact CG-CG 4.18Å; L12-L16 WeakPolarHBondContact O-CB 3.2Å; L12-L16 WeakPolarHBondContact O-CG 3.43Å; L12-L16 PolarHBondContact O-N 3.42Å; L14-L16 VanDerWaalsContact C-N 3.3Å; L14-L16 PolarHBondContact O-N 3.38Å; L16-E18 VanDerWaalsContact C-N 3.33Å; L16-E18 PolarHBondContact O-N 3.23Å; L16-R19 PolarHBondContact O-N 3.02Å; L16-I20 HydrophobicContact CB-CD1 4.3Å; L16-I20 WeakPolarHBondContact O-CB 3.41Å; L16-I20 WeakPolarHBondContact O-CD1 3.22Å; L16-I20 VanDerWaalsContact O-CG1 3.22Å; L16-I20 WeakPolarHBondContact O-CG1 3.24Å; L16-I20 PolarHBondContact O-N 3.36Å; L16-M33 HydrophobicContact CD1-SD 3.82Å; L16-L66 HydrophobicContact CD1-CD1 4.33Å; L16-L66 HydrophobicContact CD2-CD1 4.49Å; L16-M126 HydrophobicContact CD2-CB 4.23Å; L16-M126 HydrophobicContact CD2-SD 4.12Å; L16-V140 HydrophobicContact CD2-CB 4.23Å; L16-V140 HydrophobicContact CD2-CG1 3.89Å; L16-V140 HydrophobicContact CD2-CG2 4.13Å
17Q95.8Very high93.4Very high42 Ų4271.9 Ų71.920%0.19636%0.359CS..Hα-helixtrans-54.7-51.5176.2-173.5-171.6-80.800110.7Q13 L14 R19 I20 S21 L30 W55Q13-Q17 WeakPolarHBondContact O-CB 3.41Å; Q13-Q17 PolarHBondContact O-N 2.86Å; L14-Q17 PolarHBondContact O-N 3.5Å; Q17-R19 VanDerWaalsContact C-N 3.35Å; Q17-R19 PolarHBondContact O-N 3.28Å; Q17-I20 PolarHBondContact O-N 3.45Å; Q17-S21 WeakPolarHBondContact O-CB 3.33Å; Q17-S21 PolarHBondContact O-N 2.99Å; Q17-S21 PolarHBondContact O-OG 3.02Å; Q17-S21 VanDerWaalsContact O-OG 3.1Å; Q17-L30 HydrophobicContact CB-CB 3.93Å; Q17-L30 HydrophobicContact CB-CD2 4.38Å; Q17-L30 HydrophobicContact CG-CB 3.91Å; Q17-W55 HydrophobicContact CG-CH2 4.41Å; Q17-W55 HydrophobicContact CG-CZ3 4.02Å
18E94.3Very high93.4Very high119 Ų11968.3 Ų68.356%0.55633%0.33SS*.Hα-helixtrans-58-45.6-178.8-71.8174.717700112.1L14 L16 A22L14-E18 HydrophobicContact CD1-CG 4.5Å; L14-E18 WeakPolarHBondContact O-CG 3.5Å; L14-E18 PolarHBondContact O-N 3.44Å; L16-E18 VanDerWaalsContact C-N 3.33Å; L16-E18 PolarHBondContact O-N 3.23Å; E18-A22 WeakPolarHBondContact O-CB 3.45Å; E18-A22 PolarHBondContact O-N 2.76Å
19R93.7Very high93.6Very high115 Ų11573.5 Ų73.543%0.43435%0.353SS..Hα-helixtrans-67.5-45.1-179.8-69.7176.9-178.6-71.21.3112.7E15 L16 Q17 A22 Y23E15-R19 VanDerWaalsContact O-CG 3.29Å; E15-R19 WeakPolarHBondContact O-CG 3.1Å; E15-R19 PolarHBondContact O-N 2.89Å; L16-R19 PolarHBondContact O-N 3.02Å; Q17-R19 VanDerWaalsContact C-N 3.35Å; Q17-R19 PolarHBondContact O-N 3.28Å; R19-A22 PolarHBondContact O-N 3.4Å; R19-Y23 WeakPolarHBondContact O-CB 3.39Å; R19-Y23 PolarHBondContact O-N 2.92Å
20I94.2Very high93.6Very high0 Ų073.5 Ų73.50%035%0.353CS..Hα-helixtrans-65.2-49.4179.6-74.2169.9000110.5L16 Q17 A22 Y23 W24 L53 W55 L62 P63 L66 F125L16-I20 HydrophobicContact CB-CD1 4.3Å; L16-I20 WeakPolarHBondContact O-CB 3.41Å; L16-I20 WeakPolarHBondContact O-CD1 3.22Å; L16-I20 VanDerWaalsContact O-CG1 3.22Å; L16-I20 WeakPolarHBondContact O-CG1 3.24Å; L16-I20 PolarHBondContact O-N 3.36Å; Q17-I20 PolarHBondContact O-N 3.45Å; I20-A22 VanDerWaalsContact C-N 3.34Å; I20-A22 PolarHBondContact O-N 3.49Å; I20-Y23 PolarHBondContact O-N 2.89Å; I20-W24 HydrophobicContact CB-CE3 4.32Å; I20-W24 HydrophobicContact CB-CZ3 4.14Å; I20-W24 HydrophobicContact CG1-CZ3 4.11Å; I20-W24 HydrophobicContact CG2-CE3 3.62Å; I20-W24 HydrophobicContact CG2-CZ3 3.56Å; I20-W24 PolarHBondContact O-N 2.85Å; I20-L53 HydrophobicContact CD1-CD1 4.28Å; I20-W55 HydrophobicContact CB-CH2 4Å; I20-W55 HydrophobicContact CB-CZ2 4.37Å; I20-W55 HydrophobicContact CD1-CH2 4.28Å; I20-W55 HydrophobicContact CD1-CZ2 4.01Å; I20-W55 HydrophobicContact CG2-CH2 3.34Å; I20-W55 HydrophobicContact CG2-CZ2 3.52Å; I20-W55 HydrophobicContact CG2-CZ3 4.32Å; I20-L62 HydrophobicContact CG2-CD2 3.75Å; I20-P63 HydrophobicContact CD1-CG 4.18Å; I20-L66 HydrophobicContact CD1-CD1 3.9Å; I20-F125 HydrophobicContact CG1-CD1 4.32Å
21S92.6Very high93.7Very high20 Ų2072.1 Ų72.114%0.1434%0.343CS..Hα-helixtrans-59.9-42.8176.9-730000112.2Q17 K25 R26Q17-S21 WeakPolarHBondContact O-CB 3.33Å; Q17-S21 PolarHBondContact O-N 2.99Å; Q17-S21 PolarHBondContact O-OG 3.02Å; Q17-S21 VanDerWaalsContact O-OG 3.1Å; S21-K25 CarbonylContact O-C 3.5Å; S21-K25 WeakPolarHBondContact O-CA 3.47Å; S21-K25 PolarHBondContact O-N 2.89Å; S21-R26 WeakPolarHBondContact CA-O 3.26Å; S21-R26 WeakPolarHBondContact CB-O 3.48Å; S21-R26 PolarHBondContact O-N 3.14Å; S21-R26 PolarHBondContact OG-O 3.35Å; S21-R26 VanDerWaalsContact OG-O 3.13Å
22A90.2Very high93.8Very high73 Ų7367.2 Ų67.260%0.60333%0.326SS*.Hα-helixtrans-63.6-41.8176.600000112.2E18 R19 I20E18-A22 WeakPolarHBondContact O-CB 3.45Å; E18-A22 PolarHBondContact O-N 2.76Å; R19-A22 PolarHBondContact O-N 3.4Å; I20-A22 VanDerWaalsContact C-N 3.34Å; I20-A22 PolarHBondContact O-N 3.49Å
23Y88.2Confident93.8Very high114 Ų11468.9 Ų68.945%0.44734%0.335SS..Hα-helixtrans-65.2-53.5-179.2-178.7-93.9000112.4R19 I20 K25 R123R19-Y23 WeakPolarHBondContact O-CB 3.39Å; R19-Y23 PolarHBondContact O-N 2.92Å; I20-Y23 PolarHBondContact O-N 2.89Å; Y23-K25 VanDerWaalsContact C-N 3.31Å; Y23-K25 PolarHBondContact O-N 3.23Å; Y23-R123 PolarHBondContact OH-NE 3.5Å; Y23-R123 VanDerWaalsContact OH-NE 3.16Å; Y23-R123 PolarHBondContact OH-NH2 3.34Å
24W89.2Confident93.7Very high67 Ų6768.9 Ų68.925%0.25434%0.342SS..Hα-helixtrans-85.5-1.2-179.3-76.1-72.1000114.2I20 R26 L62 P63 F125I20-W24 HydrophobicContact CB-CE3 4.32Å; I20-W24 HydrophobicContact CB-CZ3 4.14Å; I20-W24 HydrophobicContact CG1-CZ3 4.11Å; I20-W24 HydrophobicContact CG2-CE3 3.62Å; I20-W24 HydrophobicContact CG2-CZ3 3.56Å; I20-W24 PolarHBondContact O-N 2.85Å; W24-R26 VanDerWaalsContact C-N 3.29Å; W24-R26 HydrophobicContact CB-CG 3.75Å; W24-R26 PolarHBondContact O-N 3.38Å; W24-L62 HydrophobicContact CB-CD2 4.22Å; W24-L62 HydrophobicContact CD2-CD2 4.17Å; W24-L62 HydrophobicContact CE3-CD2 3.79Å; W24-L62 HydrophobicContact CG-CD2 4.42Å; W24-L62 HydrophobicContact CZ3-CD2 4.43Å; W24-P63 HydrophobicContact CH2-CB 4.37Å; W24-P63 HydrophobicContact CH2-CG 3.7Å; W24-P63 HydrophobicContact CZ3-CG 3.8Å; W24-F125 HydrophobicContact CE3-CE1 4.46Å; W24-F125 HydrophobicContact CH2-CD1 4.09Å; W24-F125 AromaticContact CH2-CE1 3.05Å; W24-F125 HydrophobicContact CH2-CE1 3.05Å; W24-F125 HydrophobicContact CH2-CE2 4.37Å; W24-F125 AromaticContact CH2-CZ 3.24Å; W24-F125 HydrophobicContact CH2-CZ 3.24Å; W24-F125 AromaticContact CZ2-CE1 3.79Å; W24-F125 HydrophobicContact CZ2-CE1 3.79Å; W24-F125 AromaticContact CZ2-CZ 3.94Å; W24-F125 HydrophobicContact CZ2-CZ 3.94Å; W24-F125 HydrophobicContact CZ3-CD1 4.06Å; W24-F125 AromaticContact CZ3-CE1 3.43Å; W24-F125 HydrophobicContact CZ3-CE1 3.43Å; W24-F125 VanDerWaalsContact CZ3-CE1 3.43Å; W24-F125 HydrophobicContact CZ3-CZ 4.01Å
25K91.7Very high93.7Very high183 Ų18366.7 Ų66.780%0.79633%0.332SS*.THydrogen-bonded Turntrans53.347.3-174.9-57.1177.3-178.7176.30111.5S21 Y23S21-K25 CarbonylContact O-C 3.5Å; S21-K25 WeakPolarHBondContact O-CA 3.47Å; S21-K25 PolarHBondContact O-N 2.89Å; Y23-K25 VanDerWaalsContact C-N 3.31Å; Y23-K25 PolarHBondContact O-N 3.23Å
26R90.7Very high93.6Very high76 Ų7672.9 Ų72.929%0.28736%0.359SS..  trans-115.4143.9-178.1-62.3-59.2-178.2143.5-17.8111.2S21 W24 D59 L62S21-R26 WeakPolarHBondContact CA-O 3.26Å; S21-R26 WeakPolarHBondContact CB-O 3.48Å; S21-R26 PolarHBondContact O-N 3.14Å; S21-R26 PolarHBondContact OG-O 3.35Å; S21-R26 VanDerWaalsContact OG-O 3.13Å; W24-R26 VanDerWaalsContact C-N 3.29Å; W24-R26 HydrophobicContact CB-CG 3.75Å; W24-R26 PolarHBondContact O-N 3.38Å; R26-D59 VanDerWaalsContact CD-OD2 3.3Å; R26-D59 WeakPolarHBondContact CD-OD2 3.49Å; R26-D59 IonicContact CZ-OD2 3.44Å; R26-D59 IonicContact NE-OD2 3.54Å; R26-D59 IonicContact NH1-OD1 3.62Å; R26-D59 IonicContact NH1-OD2 2.77Å; R26-D59 PolarHBondContact NH1-OD2 3.38Å; R26-L62 HydrophobicContact CB-CD1 4.33Å; R26-L62 HydrophobicContact CB-CD2 4.13Å; R26-L62 HydrophobicContact CG-CD2 4.05Å; R26-L62 HydrophobicContact CG-CG 4.46Å
27N90.1Very high93.4Very high169 Ų16974.2 Ų74.290%0.90437%0.37SS*.  trans-104.37.7-178.3-64.3-22.9000113.5
28A93.1Very high93.1Very high6 Ų675.7 Ų75.75%0.0538%0.376CS..  trans-63.3142.4174.700000110.2W55 P57 L62A28-W55 HydrophobicContact CB-CB 4.36Å; A28-W55 HydrophobicContact CB-CE3 4.1Å; A28-W55 WeakPolarHBondContact O-CZ3 3.47Å; A28-P57 WeakPolarHBondContact CB-O 3.31Å; A28-L62 HydrophobicContact CB-CD1 3.65Å
29K95.8Very high92.4Very high129 Ų12970.3 Ų70.356%0.56135%0.352SS*.EExtended strand (participates in β ladder)trans-91.4133.5179.5-174.3-178.2178-175.90109.6T31 W55 D56K29-T31 PolarHBondContact O-N 3.28Å; K29-T31 VanDerWaalsContact O-N 3.16Å; K29-W55 CarbonylContact O-C 3.55Å; K29-W55 WeakPolarHBondContact O-CA 3.35Å; K29-D56 PolarHBondContact N-O 3.14Å; K29-D56 PolarHBondContact O-N 3.05Å
30L96.5Very high91.1Very high2 Ų268.7 Ų68.71%0.0136%0.358CS..EExtended strand (participates in β ladder)trans-76.598.4170.4-178.359.9000108Q13 Q17 S32 L53 E54 W55Q13-L30 HydrophobicContact CG-CD2 3.64Å; Q13-L30 HydrophobicContact CG-CG 3.89Å; Q13-L30 PolarHBondContact NE2-O 3.13Å; Q17-L30 HydrophobicContact CB-CB 3.93Å; Q17-L30 HydrophobicContact CB-CD2 4.38Å; Q17-L30 HydrophobicContact CG-CB 3.91Å; L30-S32 WeakPolarHBondContact CD1-O 3.25Å; L30-L53 HydrophobicContact CD1-CB 3.71Å; L30-L53 HydrophobicContact CD1-CD2 3.87Å; L30-L53 HydrophobicContact CD1-CG 4.23Å; L30-L53 HydrophobicContact CD2-CD2 4.15Å; L30-E54 WeakPolarHBondContact CD1-O 3.3Å; L30-W55 HydrophobicContact CB-CD2 4.47Å; L30-W55 HydrophobicContact CB-CE3 3.98Å; L30-W55 HydrophobicContact CB-CH2 3.89Å; L30-W55 HydrophobicContact CB-CZ2 4.37Å; L30-W55 HydrophobicContact CB-CZ3 3.7Å; L30-W55 HydrophobicContact CD1-CD2 4.19Å; L30-W55 HydrophobicContact CD1-CH2 4.34Å; L30-W55 HydrophobicContact CD1-CZ2 3.96Å; L30-W55 HydrophobicContact CD2-CH2 4.49Å; L30-W55 HydrophobicContact CG-CH2 4.47Å
31T96.4Very high89.5Confident65 Ų6574.9 Ų74.940%0.39939%0.391SS..EExtended strand (participates in β ladder)trans-79.8-36.2-173.251.80000112.1Q13 K29 E54 D56Q13-T31 PolarHBondContact NE2-O 3.46Å; K29-T31 PolarHBondContact O-N 3.28Å; K29-T31 VanDerWaalsContact O-N 3.16Å; T31-E54 PolarHBondContact N-O 3.22Å; T31-E54 PolarHBondContact OG1-O 3.1Å; T31-E54 VanDerWaalsContact OG1-O 3.1Å; T31-D56 HydrophobicContact CG2-CB 3.42Å; T31-D56 VanDerWaalsContact CG2-CB 3.42Å
32S96Very high88.1Confident38 Ų3878.8 Ų78.827%0.26641%0.409SS..EExtended strand (participates in β ladder)trans-140.6148.8177.786.90000111.8L30 E54L30-S32 WeakPolarHBondContact CD1-O 3.25Å; S32-E54 PolarHBondContact O-N 3.43Å; S32-E54 VanDerWaalsContact O-N 3.14Å; S32-E54 WeakPolarHBondContact OG-CB 3.24Å; S32-E54 WeakPolarHBondContact OG-CG 3.43Å; S32-E54 PolarHBondContact OG-OE2 3.08Å
33M96Very high86.6Confident41 Ų4176 Ų7620%0.20239%0.387CS..EExtended strand (participates in β ladder)trans-139.7118.6170.7178.6179.577.400108.5L12 Q13 L16 V35 A51 T52 L53L12-M33 HydrophobicContact CB-CE 4.1Å; L12-M33 HydrophobicContact CD2-CE 4.1Å; L12-M33 HydrophobicContact CG-CE 4.12Å; Q13-M33 HydrophobicContact CB-CB 4.43Å; Q13-M33 HydrophobicContact CB-CE 4Å; Q13-M33 HydrophobicContact CB-SD 4.44Å; Q13-M33 HydrophobicContact CG-CB 4.1Å; L16-M33 HydrophobicContact CD1-SD 3.82Å; M33-V35 HydrophobicContact CE-CG2 4.19Å; M33-V35 HydrophobicContact CG-CG2 4.19Å; M33-V35 HydrophobicContact SD-CG2 4.5Å; M33-A51 HydrophobicContact CG-CB 4.28Å; M33-A51 HydrophobicContact SD-CB 4.46Å; M33-T52 WeakPolarHBondContact CA-O 3.43Å; M33-L53 HydrophobicContact CB-CD2 4.09Å; M33-L53 HydrophobicContact CG-CD2 3.69Å; M33-L53 HydrophobicContact SD-CD2 4.13Å
34S95.6Very high85.8Confident69 Ų6973 Ų7348%0.48338%0.377SS..EExtended strand (participates in β ladder)trans-109.3144.6171.3640000110A51 T52S34-A51 CarbonylContact O-C 3.58Å; S34-A51 VanDerWaalsContact O-CA 3.26Å; S34-A51 WeakPolarHBondContact O-CA 3.36Å; S34-T52 PolarHBondContact N-O 3.48Å; S34-T52 PolarHBondContact O-N 3.06Å
35V95.4Very high85.4Confident38 Ų3870.4 Ų70.423%0.2337%0.369CS..EExtended strand (participates in β ladder)trans-129.5127.9-173.6-179.90000109.8L5 M33 F49 K50 A51L5-V35 HydrophobicContact CD2-CB 4.26Å; L5-V35 HydrophobicContact CD2-CG1 3.5Å; L5-V35 VanDerWaalsContact CD2-CG1 3.5Å; L5-V35 HydrophobicContact CD2-CG2 4.08Å; M33-V35 HydrophobicContact CE-CG2 4.19Å; M33-V35 HydrophobicContact CG-CG2 4.19Å; M33-V35 HydrophobicContact SD-CG2 4.5Å; V35-F49 HydrophobicContact CG1-CB 3.55Å; V35-F49 HydrophobicContact CG1-CD1 3.68Å; V35-F49 HydrophobicContact CG1-CG 3.93Å; V35-K50 WeakPolarHBondContact CA-O 3.29Å; V35-A51 HydrophobicContact CG2-CB 4.26Å
36K94.3Very high85.1Confident165 Ų16562 Ų6272%0.71734%0.335SS*.EExtended strand (participates in β ladder)trans-121.2129173.4-172.7179.5177.4-177.90110.7F49 K50K36-F49 CarbonylContact O-C 3.54Å; K36-F49 WeakPolarHBondContact O-CA 3.37Å; K36-K50 PolarHBondContact N-O 3.2Å; K36-K50 PolarHBondContact O-N 2.91Å
37A92.1Very high85Confident28 Ų2858.6 Ų58.623%0.23132%0.322CS..EExtended strand (participates in β ladder)trans-67.9142.8170.700000111.1M1 L48 F49M1-A37 HydrophobicContact CB-CB 4.02Å; M1-A37 HydrophobicContact CE-CB 3.65Å; A37-L48 WeakPolarHBondContact CA-O 3.44Å; A37-F49 HydrophobicContact CB-CD1 3.98Å; A37-F49 HydrophobicContact CB-CE1 4.02Å
38F89.9Confident85.2Confident73 Ų7351.5 Ų51.532%0.3228%0.284SS..EExtended strand (participates in β ladder)trans-146.7166.4174.572.7-87.8000111.5S40 L48 K50 V67F38-S40 VanDerWaalsContact C-N 3.26Å; F38-S40 PolarHBondContact O-N 3.4Å; F38-L48 HydrophobicContact CD1-CB 4.36Å; F38-L48 HydrophobicContact CD2-CB 4.46Å; F38-L48 HydrophobicContact CE1-CB 4.07Å; F38-L48 HydrophobicContact CE2-CB 4.16Å; F38-L48 HydrophobicContact CE2-CD1 4Å; F38-L48 HydrophobicContact CZ-CB 3.96Å; F38-L48 HydrophobicContact CZ-CD1 4.27Å; F38-L48 PolarHBondContact N-O 3.49Å; F38-K50 HydrophobicContact CD1-CB 3.85Å; F38-K50 HydrophobicContact CE1-CB 3.81Å; F38-V67 HydrophobicContact CE1-CG1 4.38Å; F38-V67 HydrophobicContact CZ-CG1 3.97Å; F38-V67 HydrophobicContact CZ-CG2 4.32Å
39G78.3Confident85.3Confident6 Ų651.2 Ų51.26%0.06228%0.282CS..  trans72.28.5174.900000115.7D41 M42 M44G39-D41 WeakPolarHBondContact CA-OD1 3.39Å; G39-D41 PolarHBondContact O-N 3.37Å; G39-M42 WeakPolarHBondContact O-CB 3.46Å; G39-M42 PolarHBondContact O-N 3.48Å; G39-M44 VanDerWaalsContact O-CG 3.29Å; G39-M44 WeakPolarHBondContact O-CG 3.47Å
40S67.2Low85.3Confident81 Ų8148.4 Ų48.457%0.56627%0.27SS*.THydrogen-bonded Turntrans-62-26.5178.349.30000113.5F38F38-S40 VanDerWaalsContact C-N 3.26Å; F38-S40 PolarHBondContact O-N 3.4Å
41D60.8Low85.3Confident129 Ų12948.3 Ų48.369%0.6927%0.269SS*.THydrogen-bonded Turntrans-80.4-19.3174.953.2-23000113.5G39 G43G39-D41 WeakPolarHBondContact CA-OD1 3.39Å; G39-D41 PolarHBondContact O-N 3.37Å; D41-G43 PolarHBondContact O-N 3.31Å
42M62.7Low85.3Confident103 Ų10348.2 Ų48.251%0.50727%0.269SS..THydrogen-bonded Turntrans-82.68-176.7-58.8-179.6-175.900113.9G39 M44G39-M42 WeakPolarHBondContact O-CB 3.46Å; G39-M42 PolarHBondContact O-N 3.48Å; M42-M44 VanDerWaalsContact C-N 3.29Å; M42-M44 HydrophobicContact CB-CG 4.05Å; M42-M44 HydrophobicContact CB-SD 4.2Å; M42-M44 PolarHBondContact O-N 2.91Å
43G59.4Low85.4Confident14 Ų1446.7 Ų46.714%0.14426%0.257CS..THydrogen-bonded Turntrans7317-179.200000114.8D41 S77 L79D41-G43 PolarHBondContact O-N 3.31Å; G43-S77 PolarHBondContact O-OG 2.86Å; G43-L79 VanDerWaalsContact O-CB 3.25Å; G43-L79 WeakPolarHBondContact O-CB 3.27Å
44M70.8Confident85.4Confident50 Ų5050.1 Ų50.125%0.24627%0.273CS..  trans-59.1137-172.7-59.4-57.6-79.700113.6G39 M42 L48 S77G39-M44 VanDerWaalsContact O-CG 3.29Å; G39-M44 WeakPolarHBondContact O-CG 3.47Å; M42-M44 VanDerWaalsContact C-N 3.29Å; M42-M44 HydrophobicContact CB-CG 4.05Å; M42-M44 HydrophobicContact CB-SD 4.2Å; M42-M44 PolarHBondContact O-N 2.91Å; M44-L48 HydrophobicContact CE-CD1 3.55Å; M44-L48 HydrophobicContact CG-CD1 4.12Å; M44-S77 WeakPolarHBondContact O-CB 3.41Å
45V80.5Confident85.5Confident14 Ų1447.9 Ų47.99%0.08525%0.254CS..SBendtrans-64.7-40.9178.3-178.10000111.1R72 V80 F96 L97V45-R72 VanDerWaalsContact O-CD 3.27Å; V45-R72 WeakPolarHBondContact O-CD 3.35Å; V45-R72 WeakPolarHBondContact O-CG 3.49Å; V45-V80 HydrophobicContact CG1-CG2 4.38Å; V45-V80 HydrophobicContact CG2-CG2 4.34Å; V45-F96 HydrophobicContact CB-CE1 4.46Å; V45-F96 HydrophobicContact CG1-CD1 4.34Å; V45-F96 HydrophobicContact CG1-CE1 3.76Å; V45-F96 HydrophobicContact CG2-CE1 3.78Å; V45-F96 HydrophobicContact CG2-CZ 4.27Å; V45-L97 HydrophobicContact CG1-CD2 3.46Å; V45-L97 VanDerWaalsContact CG1-CD2 3.46Å
46G85.8Confident85.6Confident7 Ų751.1 Ų51.17%0.07227%0.27CS..EExtended strand (participates in β ladder)trans-100.917417500000113.9L70G46-L70 CarbonylContact C-O 3.49Å; G46-L70 VanDerWaalsContact CA-O 3.29Å; G46-L70 WeakPolarHBondContact CA-O 3.46Å
47L89.5Confident85.6Confident4 Ų447.5 Ų47.52%0.02126%0.263CS..EExtended strand (participates in β ladder)trans-89.5125.3169.1-53.9-177.1000109.4M1 E4 F49 K69 L70 R72M1-L47 HydrophobicContact CE-CD2 4.24Å; M1-L47 HydrophobicContact SD-CD1 4.36Å; M1-L47 HydrophobicContact SD-CD2 3.6Å; M1-L47 VanDerWaalsContact SD-CD2 3.6Å; M1-L47 HydrophobicContact SD-CG 4.44Å; E4-L47 VanDerWaalsContact OE2-CD1 3.23Å; E4-L47 WeakPolarHBondContact OE2-CD1 3.47Å; L47-F49 HydrophobicContact CB-CE2 3.69Å; L47-F49 HydrophobicContact CB-CZ 4.16Å; L47-K69 WeakPolarHBondContact O-CA 3.29Å; L47-L70 HydrophobicContact CB-CB 4.23Å; L47-L70 PolarHBondContact N-O 3.16Å; L47-L70 PolarHBondContact O-N 2.87Å; L47-R72 HydrophobicContact CD2-CG 3.83Å; L47-R72 HydrophobicContact CG-CG 4.03Å
48L93Very high85.6Confident20 Ų2050.5 Ų50.511%0.10529%0.288CS..EExtended strand (participates in β ladder)trans-108.7138.5178.8-66.9179.1000112A37 F38 M44 V67 I68 K69A37-L48 WeakPolarHBondContact CA-O 3.44Å; F38-L48 HydrophobicContact CD1-CB 4.36Å; F38-L48 HydrophobicContact CD2-CB 4.46Å; F38-L48 HydrophobicContact CE1-CB 4.07Å; F38-L48 HydrophobicContact CE2-CB 4.16Å; F38-L48 HydrophobicContact CE2-CD1 4Å; F38-L48 HydrophobicContact CZ-CB 3.96Å; F38-L48 HydrophobicContact CZ-CD1 4.27Å; F38-L48 PolarHBondContact N-O 3.49Å; M44-L48 HydrophobicContact CE-CD1 3.55Å; M44-L48 HydrophobicContact CG-CD1 4.12Å; L48-V67 HydrophobicContact CD2-CG1 4.36Å; L48-I68 CarbonylContact C-O 3.54Å; L48-I68 WeakPolarHBondContact CA-O 3.41Å; L48-K69 HydrophobicContact CD2-CB 3.72Å; L48-K69 HydrophobicContact CD2-CD 4.28Å; L48-K69 HydrophobicContact CD2-CG 3.76Å
49F95.1Very high85.7Confident0 Ų048.3 Ų48.30%028%0.28CS..EExtended strand (participates in β ladder)trans-136.2139.3178.8-55.9-92.7000110.6M1 L5 V35 K36 A37 L47 V67 I68 L70M1-F49 HydrophobicContact CB-CE1 4.12Å; M1-F49 HydrophobicContact CB-CZ 4.39Å; M1-F49 WeakPolarHBondContact O-CZ 3.18Å; L5-F49 HydrophobicContact CB-CE1 4.37Å; L5-F49 HydrophobicContact CB-CE2 4.39Å; L5-F49 HydrophobicContact CB-CZ 4.15Å; L5-F49 HydrophobicContact CD2-CD1 4.42Å; L5-F49 HydrophobicContact CD2-CD2 4.46Å; L5-F49 HydrophobicContact CD2-CG 4.26Å; V35-F49 HydrophobicContact CG1-CB 3.55Å; V35-F49 HydrophobicContact CG1-CD1 3.68Å; V35-F49 HydrophobicContact CG1-CG 3.93Å; K36-F49 CarbonylContact O-C 3.54Å; K36-F49 WeakPolarHBondContact O-CA 3.37Å; A37-F49 HydrophobicContact CB-CD1 3.98Å; A37-F49 HydrophobicContact CB-CE1 4.02Å; L47-F49 HydrophobicContact CB-CE2 3.69Å; L47-F49 HydrophobicContact CB-CZ 4.16Å; F49-V67 CarbonylContact O-C 3.56Å; F49-V67 WeakPolarHBondContact O-CA 3.44Å; F49-I68 HydrophobicContact CB-CB 4.15Å; F49-I68 HydrophobicContact CD2-CG2 4.41Å; F49-I68 PolarHBondContact N-O 3.15Å; F49-I68 PolarHBondContact O-N 3.22Å; F49-L70 HydrophobicContact CD2-CD1 4.23Å; F49-L70 HydrophobicContact CE2-CD1 4.14Å; F49-L70 HydrophobicContact CE2-CD2 4.44Å
50K95.8Very high86.3Confident70 Ų7054.4 Ų54.430%0.30432%0.318SS..EExtended strand (participates in β ladder)trans-99.6118.7168.8177.9164.5173146.50107.6V35 K36 F38 L66 D143V35-K50 WeakPolarHBondContact CA-O 3.29Å; K36-K50 PolarHBondContact N-O 3.2Å; K36-K50 PolarHBondContact O-N 2.91Å; F38-K50 HydrophobicContact CD1-CB 3.85Å; F38-K50 HydrophobicContact CE1-CB 3.81Å; K50-L66 WeakPolarHBondContact CA-O 3.11Å; K50-D143 WeakPolarHBondContact CE-OD2 3.29Å; K50-D143 IonicContact NZ-OD2 2.74Å; K50-D143 PolarHBondContact NZ-OD2 3.41Å
51A96.7Very high87.4Confident0 Ų055.8 Ų55.80%032%0.315CS..EExtended strand (participates in β ladder)trans-92.2133.8169.900000109.5M33 S34 V35 L53 S65 L66 I68M33-A51 HydrophobicContact CG-CB 4.28Å; M33-A51 HydrophobicContact SD-CB 4.46Å; S34-A51 CarbonylContact O-C 3.58Å; S34-A51 VanDerWaalsContact O-CA 3.26Å; S34-A51 WeakPolarHBondContact O-CA 3.36Å; V35-A51 HydrophobicContact CG2-CB 4.26Å; A51-L53 HydrophobicContact CB-CD2 4.34Å; A51-S65 CarbonylContact O-C 3.59Å; A51-S65 WeakPolarHBondContact O-CA 3.46Å; A51-S65 WeakPolarHBondContact O-CB 3.4Å; A51-L66 HydrophobicContact CB-CB 4.38Å; A51-L66 PolarHBondContact N-O 3.25Å; A51-L66 PolarHBondContact O-N 3.44Å; A51-I68 HydrophobicContact CB-CD1 3.73Å
52T97.3Very high89Confident63 Ų6350 Ų5039%0.38729%0.285SS..EExtended strand (participates in β ladder)trans-107.9131.3169-56.60000108.1M33 S34 T64M33-T52 WeakPolarHBondContact CA-O 3.43Å; S34-T52 PolarHBondContact N-O 3.48Å; S34-T52 PolarHBondContact O-N 3.06Å; T52-T64 WeakPolarHBondContact CA-O 3.48Å
53L97Very high90.5Very high5 Ų546 Ų463%0.02627%0.267CS..EExtended strand (participates in β ladder)trans-119.1137-169-55.1-177.8000111I20 L30 M33 A51 W55 P63 T64 L66I20-L53 HydrophobicContact CD1-CD1 4.28Å; L30-L53 HydrophobicContact CD1-CB 3.71Å; L30-L53 HydrophobicContact CD1-CD2 3.87Å; L30-L53 HydrophobicContact CD1-CG 4.23Å; L30-L53 HydrophobicContact CD2-CD2 4.15Å; M33-L53 HydrophobicContact CB-CD2 4.09Å; M33-L53 HydrophobicContact CG-CD2 3.69Å; M33-L53 HydrophobicContact SD-CD2 4.13Å; A51-L53 HydrophobicContact CB-CD2 4.34Å; L53-W55 HydrophobicContact CD1-CZ2 4.23Å; L53-P63 HydrophobicContact CD1-CG 4.18Å; L53-P63 WeakPolarHBondContact CD1-O 3.32Å; L53-T64 PolarHBondContact N-O 3.29Å; L53-L66 HydrophobicContact CD1-CD1 3.65Å; L53-L66 HydrophobicContact CD1-CG 3.8Å
54E97.5Very high92.2Very high114 Ų11449.5 Ų49.553%0.53329%0.285SS..EExtended strand (participates in β ladder)trans-121.1131.1172-62.2176.5165.100110.5L30 T31 S32L30-E54 WeakPolarHBondContact CD1-O 3.3Å; T31-E54 PolarHBondContact N-O 3.22Å; T31-E54 PolarHBondContact OG1-O 3.1Å; T31-E54 VanDerWaalsContact OG1-O 3.1Å; S32-E54 PolarHBondContact O-N 3.43Å; S32-E54 VanDerWaalsContact O-N 3.14Å; S32-E54 WeakPolarHBondContact OG-CB 3.24Å; S32-E54 WeakPolarHBondContact OG-CG 3.43Å; S32-E54 PolarHBondContact OG-OE2 3.08Å
55W97.2Very high93.5Very high22 Ų2247.6 Ų47.68%0.08328%0.277CS..EExtended strand (participates in β ladder)trans-114.6143-174.8-63.194.2000111.4Q17 I20 A28 K29 L30 L53 P57 A58 L62 P63Q17-W55 HydrophobicContact CG-CH2 4.41Å; Q17-W55 HydrophobicContact CG-CZ3 4.02Å; I20-W55 HydrophobicContact CB-CH2 4Å; I20-W55 HydrophobicContact CB-CZ2 4.37Å; I20-W55 HydrophobicContact CD1-CH2 4.28Å; I20-W55 HydrophobicContact CD1-CZ2 4.01Å; I20-W55 HydrophobicContact CG2-CH2 3.34Å; I20-W55 HydrophobicContact CG2-CZ2 3.52Å; I20-W55 HydrophobicContact CG2-CZ3 4.32Å; A28-W55 HydrophobicContact CB-CB 4.36Å; A28-W55 HydrophobicContact CB-CE3 4.1Å; A28-W55 WeakPolarHBondContact O-CZ3 3.47Å; K29-W55 CarbonylContact O-C 3.55Å; K29-W55 WeakPolarHBondContact O-CA 3.35Å; L30-W55 HydrophobicContact CB-CD2 4.47Å; L30-W55 HydrophobicContact CB-CE3 3.98Å; L30-W55 HydrophobicContact CB-CH2 3.89Å; L30-W55 HydrophobicContact CB-CZ2 4.37Å; L30-W55 HydrophobicContact CB-CZ3 3.7Å; L30-W55 HydrophobicContact CD1-CD2 4.19Å; L30-W55 HydrophobicContact CD1-CH2 4.34Å; L30-W55 HydrophobicContact CD1-CZ2 3.96Å; L30-W55 HydrophobicContact CD2-CH2 4.49Å; L30-W55 HydrophobicContact CG-CH2 4.47Å; L53-W55 HydrophobicContact CD1-CZ2 4.23Å; W55-P57 CarbonylContact C-O 3.54Å; W55-P57 CarbonylContact O-C 3.6Å; W55-A58 WeakPolarHBondContact O-CA 3.25Å; W55-A58 PolarHBondContact O-N 3.39Å; W55-L62 HydrophobicContact CB-CD1 4.37Å; W55-L62 HydrophobicContact CD2-CB 4.16Å; W55-L62 HydrophobicContact CD2-CD1 3.52Å; W55-L62 HydrophobicContact CD2-CG 4.44Å; W55-L62 HydrophobicContact CE3-CD1 3.55Å; W55-L62 HydrophobicContact CG-CB 4.15Å; W55-L62 HydrophobicContact CG-CD1 3.88Å; W55-L62 HydrophobicContact CH2-CD1 4.48Å; W55-L62 HydrophobicContact CZ2-CD1 4.47Å; W55-L62 HydrophobicContact CZ3-CD1 4.02Å; W55-P63 PolarHBondContact NE1-O 2.91Å
56D95.9Very high94.3Very high105 Ų10547 Ų4756%0.56127%0.273SS*.EExtended strand (participates in β ladder)trans-127117.8172.2-175.322.7000111.6K29 T31K29-D56 PolarHBondContact N-O 3.14Å; K29-D56 PolarHBondContact O-N 3.05Å; T31-D56 HydrophobicContact CG2-CB 3.42Å; T31-D56 VanDerWaalsContact CG2-CB 3.42Å
57P94.8Very high94.8Very high90 Ų9048 Ų4858%0.58428%0.278SS*.SBendcis-65.9156.5-7.330.3-35.7000111.2A28 W55 D59A28-P57 WeakPolarHBondContact CB-O 3.31Å; W55-P57 CarbonylContact C-O 3.54Å; W55-P57 CarbonylContact O-C 3.6Å; P57-D59 PolarHBondContact O-N 3.22Å
58A93.1Very high95.1Very high90 Ų9047.9 Ų47.974%0.74428%0.277SS*.  trans-58.4126.6172.700000109.8W55W55-A58 WeakPolarHBondContact O-CA 3.25Å; W55-A58 PolarHBondContact O-N 3.39Å
59D92.3Very high95.2Very high28 Ų2847.6 Ų47.615%0.1528%0.275CS..  trans-125116.7-179.4-169.4-29.8000109.5R26 P57 Q61 L62R26-D59 VanDerWaalsContact CD-OD2 3.3Å; R26-D59 WeakPolarHBondContact CD-OD2 3.49Å; R26-D59 IonicContact CZ-OD2 3.44Å; R26-D59 IonicContact NE-OD2 3.54Å; R26-D59 IonicContact NH1-OD1 3.62Å; R26-D59 IonicContact NH1-OD2 2.77Å; R26-D59 PolarHBondContact NH1-OD2 3.38Å; P57-D59 PolarHBondContact O-N 3.22Å; D59-Q61 PolarHBondContact O-N 2.85Å; D59-Q61 VanDerWaalsContact O-N 3.14Å; D59-Q61 WeakPolarHBondContact OD1-CB 3.45Å; D59-Q61 PolarHBondContact OD1-N 3.45Å; D59-L62 HydrophobicContact CB-CB 4.31Å; D59-L62 HydrophobicContact CB-CD1 3.79Å; D59-L62 HydrophobicContact CB-CG 3.87Å; D59-L62 PolarHBondContact O-N 3.39Å; D59-L62 VanDerWaalsContact O-N 3.07Å
60P89.8Confident95.1Very high134 Ų13447.6 Ų47.687%0.8728%0.275SS*.THydrogen-bonded Turntrans-67.2-11.5-178.528.4-35.9000113.8
61Q90.1Very high94.8Very high109 Ų10945 Ų4551%0.50927%0.265SS..THydrogen-bonded Turntrans-86.1-15.2174-61.5-168.49.400113.1D59D59-Q61 PolarHBondContact O-N 2.85Å; D59-Q61 VanDerWaalsContact O-N 3.14Å; D59-Q61 WeakPolarHBondContact OD1-CB 3.45Å; D59-Q61 PolarHBondContact OD1-N 3.45Å
62L94Very high94.3Very high8 Ų847.4 Ų47.44%0.04227%0.274CS..SBendtrans-88.9146.7179.9-65.5-179.9000111.1I20 W24 R26 A28 W55 D59 T64I20-L62 HydrophobicContact CG2-CD2 3.75Å; W24-L62 HydrophobicContact CB-CD2 4.22Å; W24-L62 HydrophobicContact CD2-CD2 4.17Å; W24-L62 HydrophobicContact CE3-CD2 3.79Å; W24-L62 HydrophobicContact CG-CD2 4.42Å; W24-L62 HydrophobicContact CZ3-CD2 4.43Å; R26-L62 HydrophobicContact CB-CD1 4.33Å; R26-L62 HydrophobicContact CB-CD2 4.13Å; R26-L62 HydrophobicContact CG-CD2 4.05Å; R26-L62 HydrophobicContact CG-CG 4.46Å; A28-L62 HydrophobicContact CB-CD1 3.65Å; W55-L62 HydrophobicContact CB-CD1 4.37Å; W55-L62 HydrophobicContact CD2-CB 4.16Å; W55-L62 HydrophobicContact CD2-CD1 3.52Å; W55-L62 HydrophobicContact CD2-CG 4.44Å; W55-L62 HydrophobicContact CE3-CD1 3.55Å; W55-L62 HydrophobicContact CG-CB 4.15Å; W55-L62 HydrophobicContact CG-CD1 3.88Å; W55-L62 HydrophobicContact CH2-CD1 4.48Å; W55-L62 HydrophobicContact CZ2-CD1 4.47Å; W55-L62 HydrophobicContact CZ3-CD1 4.02Å; D59-L62 HydrophobicContact CB-CB 4.31Å; D59-L62 HydrophobicContact CB-CD1 3.79Å; D59-L62 HydrophobicContact CB-CG 3.87Å; D59-L62 PolarHBondContact O-N 3.39Å; D59-L62 VanDerWaalsContact O-N 3.07Å; L62-T64 PolarHBondContact O-N 3.16Å
63P94.6Very high93.3Very high20 Ų2047.5 Ų47.513%0.1327%0.271CS..  trans-70.9133.3-177.628.4-32.2000109.5I20 W24 L53 W55 L66I20-P63 HydrophobicContact CD1-CG 4.18Å; W24-P63 HydrophobicContact CH2-CB 4.37Å; W24-P63 HydrophobicContact CH2-CG 3.7Å; W24-P63 HydrophobicContact CZ3-CG 3.8Å; L53-P63 HydrophobicContact CD1-CG 4.18Å; L53-P63 WeakPolarHBondContact CD1-O 3.32Å; W55-P63 PolarHBondContact NE1-O 2.91Å; P63-L66 HydrophobicContact CB-CD2 3.89Å; P63-L66 HydrophobicContact CG-CD2 4.02Å
64T95.8Very high92.2Very high86 Ų8651.6 Ų51.653%0.52831%0.314SS..SBendtrans-88.8-13.2171.454.60000112.1T52 L53 L62T52-T64 WeakPolarHBondContact CA-O 3.48Å; L53-T64 PolarHBondContact N-O 3.29Å; L62-T64 PolarHBondContact O-N 3.16Å
65S97.1Very high91.3Very high11 Ų1149.8 Ų49.88%0.07731%0.311CS..EExtended strand (participates in β ladder)trans-151.2150.3174.653.80000113.1A51 D143A51-S65 CarbonylContact O-C 3.59Å; A51-S65 WeakPolarHBondContact O-CA 3.46Å; A51-S65 WeakPolarHBondContact O-CB 3.4Å; S65-D143 WeakPolarHBondContact CB-OD2 3.07Å; S65-D143 WeakPolarHBondContact O-CB 3.37Å; S65-D143 WeakPolarHBondContact OG-CB 3.43Å; S65-D143 PolarHBondContact OG-OD2 3.35Å
66L97.3Very high90.5Very high0 Ų052.4 Ų52.40%032%0.323CS..EExtended strand (participates in β ladder)trans-135.7155.7177.8-61.6176.5000110.8L16 I20 K50 A51 L53 P63 F125 V140L16-L66 HydrophobicContact CD1-CD1 4.33Å; L16-L66 HydrophobicContact CD2-CD1 4.49Å; I20-L66 HydrophobicContact CD1-CD1 3.9Å; K50-L66 WeakPolarHBondContact CA-O 3.11Å; A51-L66 HydrophobicContact CB-CB 4.38Å; A51-L66 PolarHBondContact N-O 3.25Å; A51-L66 PolarHBondContact O-N 3.44Å; L53-L66 HydrophobicContact CD1-CD1 3.65Å; L53-L66 HydrophobicContact CD1-CG 3.8Å; P63-L66 HydrophobicContact CB-CD2 3.89Å; P63-L66 HydrophobicContact CG-CD2 4.02Å; L66-F125 HydrophobicContact CD2-CD2 3.44Å; L66-F125 VanDerWaalsContact CD2-CD2 3.44Å; L66-F125 HydrophobicContact CD2-CE2 3.38Å; L66-F125 HydrophobicContact CD2-CG 4.48Å; L66-F125 HydrophobicContact CD2-CZ 4.42Å; L66-V140 HydrophobicContact CB-CG1 4.06Å; L66-V140 HydrophobicContact CD1-CG1 3.79Å; L66-V140 HydrophobicContact CG-CG1 4.43Å
67V96.8Very high89.7Confident30 Ų3047.6 Ų47.618%0.18230%0.298CS..EExtended strand (participates in β ladder)trans-103.4128.1168.8176.60000108.7F38 L48 F49 V140 L141 D143F38-V67 HydrophobicContact CE1-CG1 4.38Å; F38-V67 HydrophobicContact CZ-CG1 3.97Å; F38-V67 HydrophobicContact CZ-CG2 4.32Å; L48-V67 HydrophobicContact CD2-CG1 4.36Å; F49-V67 CarbonylContact O-C 3.56Å; F49-V67 WeakPolarHBondContact O-CA 3.44Å; V67-V140 CarbonylContact O-C 3.51Å; V67-V140 WeakPolarHBondContact O-CA 3.32Å; V67-L141 PolarHBondContact N-O 2.97Å; V67-L141 PolarHBondContact O-N 2.81Å; V67-D143 HydrophobicContact CG2-CB 4.24Å
68I96.9Very high89Confident0 Ų049.4 Ų49.40%030%0.302CS..EExtended strand (participates in β ladder)trans-114.8124.8178.7-61.4161.7000108L5 L12 L48 F49 A51 L70 I138 I139 V140L5-I68 HydrophobicContact CD1-CG2 4.15Å; L5-I68 HydrophobicContact CD2-CD1 4.27Å; L12-I68 HydrophobicContact CD2-CD1 4.01Å; L48-I68 CarbonylContact C-O 3.54Å; L48-I68 WeakPolarHBondContact CA-O 3.41Å; F49-I68 HydrophobicContact CB-CB 4.15Å; F49-I68 HydrophobicContact CD2-CG2 4.41Å; F49-I68 PolarHBondContact N-O 3.15Å; F49-I68 PolarHBondContact O-N 3.22Å; A51-I68 HydrophobicContact CB-CD1 3.73Å; I68-L70 HydrophobicContact CG2-CD1 3.39Å; I68-I138 HydrophobicContact CG2-CD1 3.78Å; I68-I138 HydrophobicContact CG2-CG1 3.91Å; I68-I139 CarbonylContact C-O 3.49Å; I68-I139 WeakPolarHBondContact CA-O 3.27Å; I68-V140 HydrophobicContact CG1-CG1 3.96Å; I68-V140 HydrophobicContact CG1-CG2 4.02Å; I68-V140 HydrophobicContact CG2-CG2 4.37Å
69K94.9Very high88.4Confident15 Ų1547.3 Ų47.37%0.06528%0.279CS..EExtended strand (participates in β ladder)trans-112.6125.2176.4-173.8177.4-177.1-173.40109.5L47 L48 E104 I138 I139 D269L47-K69 WeakPolarHBondContact O-CA 3.29Å; L48-K69 HydrophobicContact CD2-CB 3.72Å; L48-K69 HydrophobicContact CD2-CD 4.28Å; L48-K69 HydrophobicContact CD2-CG 3.76Å; K69-E104 WeakPolarHBondContact CE-OE2 3.38Å; K69-E104 IonicContact NZ-OE1 3.79Å; K69-E104 IonicContact NZ-OE2 3.55Å; K69-E104 PolarHBondContact NZ-OE2 3.43Å; K69-I138 WeakPolarHBondContact O-CA 3.38Å; K69-I139 HydrophobicContact CB-CB 4.37Å; K69-I139 PolarHBondContact N-O 3.3Å; K69-I139 PolarHBondContact O-N 3.12Å; K69-D269 IonicContact NZ-OD1 3.26Å; K69-D269 PolarHBondContact NZ-OD1 3.13Å
70L92.2Very high87.9Confident0 Ų046 Ų460%027%0.272CS..EExtended strand (participates in β ladder)trans-115.4140.1173.3-87.470.5000109.4L5 G46 L47 F49 I68 I138L5-L70 HydrophobicContact CD1-CD1 3.58Å; L5-L70 HydrophobicContact CD1-CD2 3.87Å; L5-L70 HydrophobicContact CD1-CG 4.38Å; G46-L70 CarbonylContact C-O 3.49Å; G46-L70 VanDerWaalsContact CA-O 3.29Å; G46-L70 WeakPolarHBondContact CA-O 3.46Å; L47-L70 HydrophobicContact CB-CB 4.23Å; L47-L70 PolarHBondContact N-O 3.16Å; L47-L70 PolarHBondContact O-N 2.87Å; F49-L70 HydrophobicContact CD2-CD1 4.23Å; F49-L70 HydrophobicContact CE2-CD1 4.14Å; F49-L70 HydrophobicContact CE2-CD2 4.44Å; I68-L70 HydrophobicContact CG2-CD1 3.39Å; L70-I138 HydrophobicContact CD1-CD1 4.19Å; L70-I138 HydrophobicContact CD1-CG1 3.92Å
71P89.9Confident87.7Confident14 Ų1444.4 Ų44.49%0.09125%0.252CS..EExtended strand (participates in β ladder)trans-70142.3168.629.9-30.3000109.5R8 H101 M130 G137R8-P71 PolarHBondContact NH1-O 3.25Å; P71-H101 HydrophobicContact CB-CB 3.99Å; P71-H101 WeakPolarHBondContact CD-ND1 3.45Å; P71-H101 HydrophobicContact CG-CB 4.46Å; P71-M130 HydrophobicContact CB-SD 4.35Å; P71-M130 HydrophobicContact CG-CG 4.49Å; P71-M130 HydrophobicContact CG-SD 3.44Å; P71-M130 WeakPolarHBondContact CG-SD 3.31Å; P71-G137 WeakPolarHBondContact CD-O 3.26Å
72R85.1Confident87.3Confident52 Ų5242.6 Ų42.620%0.19624%0.244CC..  trans-69.2141.4174-71.8179.7175.4-91.3-0.4110.3V45 L47 T75V45-R72 VanDerWaalsContact O-CD 3.27Å; V45-R72 WeakPolarHBondContact O-CD 3.35Å; V45-R72 WeakPolarHBondContact O-CG 3.49Å; L47-R72 HydrophobicContact CD2-CG 3.83Å; L47-R72 HydrophobicContact CG-CG 4.03Å; R72-T75 WeakPolarHBondContact CB-O 3.19Å
73M77.7Confident86.8Confident64 Ų6443.2 Ų43.232%0.31525%0.247SC..SBendtrans-117122.2176.4-72.9-62.5-75.900110.6T75 M130 L132M73-T75 PolarHBondContact O-N 3.17Å; M73-M130 HydrophobicContact CE-CE 3.48Å; M73-M130 VanDerWaalsContact CE-CE 3.48Å; M73-M130 HydrophobicContact CG-CE 3.95Å; M73-M130 HydrophobicContact SD-CE 3.16Å; M73-M130 WeakPolarHBondContact SD-CE 3.36Å; M73-M130 HydrophobicContact SD-SD 3.97Å; M73-L132 HydrophobicContact CE-CD2 3.89Å; M73-L132 HydrophobicContact SD-CD2 4.48Å
74G74.2Confident86.3Confident91 Ų9143.6 Ų43.694%0.93825%0.247SC*.SBendtrans66.4217600000115.9
75T77.5Confident85.9Confident76 Ų7647.1 Ų47.147%0.46626%0.255SS..  trans-130.8142.1176.256.50000109.5R72 M73R72-T75 WeakPolarHBondContact CB-O 3.19Å; M73-T75 PolarHBondContact O-N 3.17Å
76K80.3Confident85.3Confident77 Ų7748.9 Ų48.934%0.33526%0.262SS..  trans-97154.8175.6-61175.6-171.2-178.10108.8V80 E81 E84 A93 L97K76-V80 HydrophobicContact CB-CB 4.43Å; K76-V80 HydrophobicContact CB-CG1 4.31Å; K76-V80 HydrophobicContact CG-CG1 4.4Å; K76-E81 HydrophobicContact CB-CG 3.54Å; K76-E81 HydrophobicContact CD-CG 4.07Å; K76-E81 HydrophobicContact CG-CG 4.42Å; K76-E84 IonicContact NZ-OE1 3.79Å; K76-E84 PolarHBondContact NZ-OE1 2.86Å; K76-E84 IonicContact NZ-OE2 2.76Å; K76-E84 PolarHBondContact NZ-OE2 3.32Å; K76-A93 HydrophobicContact CD-CB 3.79Å; K76-A93 VanDerWaalsContact CE-CB 3.4Å; K76-A93 HydrophobicContact CG-CB 4.32Å; K76-L97 HydrophobicContact CG-CD1 4.33Å
77S80.1Confident84.6Confident4 Ų449 Ų493%0.02826%0.263CS..  trans-80.4157.8165.973.30000109.3G43 M44 L79 V80 E81G43-S77 PolarHBondContact O-OG 2.86Å; M44-S77 WeakPolarHBondContact O-CB 3.41Å; S77-L79 PolarHBondContact O-N 3.31Å; S77-L79 VanDerWaalsContact O-N 3.16Å; S77-V80 PolarHBondContact O-N 3.43Å; S77-V80 WeakPolarHBondContact OG-CG2 3.49Å; S77-V80 PolarHBondContact OG-N 2.87Å; S77-E81 PolarHBondContact O-N 3.02Å
78N80.2Confident84Confident128 Ų12854.9 Ų54.968%0.68429%0.289SS*.Hα-helixtrans-54-36.3175.3-650.4000112Q82N78-Q82 VanDerWaalsContact O-CB 3.31Å; N78-Q82 WeakPolarHBondContact O-CB 3.41Å; N78-Q82 PolarHBondContact O-N 3.42Å
79L79.2Confident83.4Confident47 Ų4756.1 Ų56.125%0.24630%0.295CS..Hα-helixtrans-63.7-45.2176.6179.263.5000111.7G43 S77 Q82 L83 M347G43-L79 VanDerWaalsContact O-CB 3.25Å; G43-L79 WeakPolarHBondContact O-CB 3.27Å; S77-L79 PolarHBondContact O-N 3.31Å; S77-L79 VanDerWaalsContact O-N 3.16Å; L79-Q82 PolarHBondContact O-N 3.48Å; L79-L83 HydrophobicContact CD1-CD1 4.15Å; L79-L83 HydrophobicContact CD1-CG 4.35Å; L79-L83 HydrophobicContact CG-CD1 3.97Å; L79-L83 WeakPolarHBondContact O-CB 3.45Å; L79-L83 VanDerWaalsContact O-CG 3.3Å; L79-L83 WeakPolarHBondContact O-CG 3.29Å; L79-L83 PolarHBondContact O-N 2.97Å; L79-M347 HydrophobicContact CD1-CG 4.3Å; L79-M347 HydrophobicContact CD1-SD 3.63Å
80V82.6Confident82.8Confident0 Ų062.2 Ų62.20%033%0.328CS..Hα-helixtrans-68.1-40.3180173.10000111.2V45 K76 S77 Q82 L83 E84 F92 A93 F96 L97V45-V80 HydrophobicContact CG1-CG2 4.38Å; V45-V80 HydrophobicContact CG2-CG2 4.34Å; K76-V80 HydrophobicContact CB-CB 4.43Å; K76-V80 HydrophobicContact CB-CG1 4.31Å; K76-V80 HydrophobicContact CG-CG1 4.4Å; S77-V80 PolarHBondContact O-N 3.43Å; S77-V80 WeakPolarHBondContact OG-CG2 3.49Å; S77-V80 PolarHBondContact OG-N 2.87Å; V80-Q82 VanDerWaalsContact C-N 3.33Å; V80-Q82 PolarHBondContact O-N 3.41Å; V80-L83 PolarHBondContact O-N 3.41Å; V80-E84 WeakPolarHBondContact O-CB 3.44Å; V80-E84 PolarHBondContact O-N 3.39Å; V80-F92 HydrophobicContact CG1-CD1 4.42Å; V80-F92 HydrophobicContact CG1-CE1 4.43Å; V80-A93 HydrophobicContact CG1-CB 3.91Å; V80-F96 HydrophobicContact CG2-CD1 4.15Å; V80-F96 HydrophobicContact CG2-CE1 4.09Å; V80-L97 HydrophobicContact CG1-CD1 4.32Å; V80-L97 HydrophobicContact CG1-CG 4.38Å; V80-L97 HydrophobicContact CG2-CD2 4.11Å
81E84.7Confident82.3Confident100 Ų10067.1 Ų67.147%0.46735%0.354SS..Hα-helixtrans-62.1-41.4174.1-67.3-179.6177.700111.7K76 S77 K85K76-E81 HydrophobicContact CB-CG 3.54Å; K76-E81 HydrophobicContact CD-CG 4.07Å; K76-E81 HydrophobicContact CG-CG 4.42Å; S77-E81 PolarHBondContact O-N 3.02Å; E81-K85 WeakPolarHBondContact O-CB 3.26Å; E81-K85 PolarHBondContact O-N 3.11Å; E81-K85 VanDerWaalsContact O-N 3.11Å
82Q82.5Confident82Confident71 Ų7167 Ų6733%0.33235%0.352SS..Hα-helixtrans-66.7-44.6176.9-170.2176.6-1.900111.5N78 L79 V80 K85 E86 M347N78-Q82 VanDerWaalsContact O-CB 3.31Å; N78-Q82 WeakPolarHBondContact O-CB 3.41Å; N78-Q82 PolarHBondContact O-N 3.42Å; L79-Q82 PolarHBondContact O-N 3.48Å; V80-Q82 VanDerWaalsContact C-N 3.33Å; V80-Q82 PolarHBondContact O-N 3.41Å; Q82-K85 PolarHBondContact O-N 3.35Å; Q82-E86 HydrophobicContact CG-CG 4.24Å; Q82-E86 WeakPolarHBondContact O-CB 3.31Å; Q82-E86 VanDerWaalsContact O-CG 3.29Å; Q82-E86 WeakPolarHBondContact O-CG 3.3Å; Q82-E86 PolarHBondContact O-N 2.68Å; Q82-M347 HydrophobicContact CG-CE 3.98Å
83L82.9Confident81.8Confident21 Ų2164.8 Ų64.811%0.1135%0.345CS..Hα-helixtrans-63.2-42.7177.6-74.7168000112.2L79 V80 K85 E86 T87 F92 M204 M347L79-L83 HydrophobicContact CD1-CD1 4.15Å; L79-L83 HydrophobicContact CD1-CG 4.35Å; L79-L83 HydrophobicContact CG-CD1 3.97Å; L79-L83 WeakPolarHBondContact O-CB 3.45Å; L79-L83 VanDerWaalsContact O-CG 3.3Å; L79-L83 WeakPolarHBondContact O-CG 3.29Å; L79-L83 PolarHBondContact O-N 2.97Å; V80-L83 PolarHBondContact O-N 3.41Å; L83-K85 VanDerWaalsContact C-N 3.31Å; L83-K85 PolarHBondContact O-N 3.34Å; L83-E86 PolarHBondContact O-N 2.89Å; L83-T87 VanDerWaalsContact O-CB 3.3Å; L83-T87 WeakPolarHBondContact O-CB 3.31Å; L83-T87 VanDerWaalsContact O-CG2 3.24Å; L83-T87 WeakPolarHBondContact O-CG2 3.46Å; L83-T87 PolarHBondContact O-N 3.01Å; L83-T87 PolarHBondContact O-OG1 2.61Å; L83-F92 HydrophobicContact CB-CD1 4.23Å; L83-F92 HydrophobicContact CB-CE1 3.61Å; L83-F92 HydrophobicContact CB-CE2 4.45Å; L83-F92 HydrophobicContact CB-CZ 3.75Å; L83-F92 HydrophobicContact CD1-CE1 4.14Å; L83-F92 HydrophobicContact CD1-CZ 3.95Å; L83-F92 HydrophobicContact CG-CZ 4.39Å; L83-M204 HydrophobicContact CD2-SD 3.65Å; L83-M347 HydrophobicContact CD2-CE 3.86Å; L83-M347 HydrophobicContact CD2-SD 4Å; L83-M347 HydrophobicContact CG-CE 4.37Å; L83-M347 HydrophobicContact CG-SD 4.34Å
84E85.2Confident81.7Confident28 Ų2864.3 Ų64.313%0.13135%0.348CS..Hα-helixtrans-59.7-42.8175.9-177.8174.7-131.600111.6K76 V80 T87 E88 N89 F92 A93K76-E84 IonicContact NZ-OE1 3.79Å; K76-E84 PolarHBondContact NZ-OE1 2.86Å; K76-E84 IonicContact NZ-OE2 2.76Å; K76-E84 PolarHBondContact NZ-OE2 3.32Å; V80-E84 WeakPolarHBondContact O-CB 3.44Å; V80-E84 PolarHBondContact O-N 3.39Å; E84-T87 PolarHBondContact O-OG1 2.87Å; E84-E88 PolarHBondContact O-N 2.99Å; E84-N89 PolarHBondContact O-N 3.44Å; E84-F92 HydrophobicContact CB-CB 4.14Å; E84-F92 HydrophobicContact CB-CD1 4.25Å; E84-F92 HydrophobicContact CB-CG 4.49Å; E84-F92 HydrophobicContact CG-CB 4.2Å; E84-A93 WeakPolarHBondContact OE1-CB 3.38Å
85K87.5Confident82Confident161 Ų16160.8 Ų60.870%0.731%0.307SS*.Hα-helixtrans-66.3-47.9175.8-175.5-176.4175.4-171.60112.6E81 Q82 L83 T87 E88E81-K85 WeakPolarHBondContact O-CB 3.26Å; E81-K85 PolarHBondContact O-N 3.11Å; E81-K85 VanDerWaalsContact O-N 3.11Å; Q82-K85 PolarHBondContact O-N 3.35Å; L83-K85 VanDerWaalsContact C-N 3.31Å; L83-K85 PolarHBondContact O-N 3.34Å; K85-T87 VanDerWaalsContact C-N 3.31Å; K85-T87 PolarHBondContact O-N 2.93Å; K85-E88 PolarHBondContact O-N 3.23Å
86E83.8Confident82.3Confident48 Ų4858.3 Ų58.322%0.22429%0.29CS..Hα-helixtrans-72.3-23.2-177.4-68.5-63.6158.100113.1Q82 L83 M204 N207 M347Q82-E86 HydrophobicContact CG-CG 4.24Å; Q82-E86 WeakPolarHBondContact O-CB 3.31Å; Q82-E86 VanDerWaalsContact O-CG 3.29Å; Q82-E86 WeakPolarHBondContact O-CG 3.3Å; Q82-E86 PolarHBondContact O-N 2.68Å; L83-E86 PolarHBondContact O-N 2.89Å; E86-M204 HydrophobicContact CB-CB 4Å; E86-M204 HydrophobicContact CB-CG 3.94Å; E86-M204 WeakPolarHBondContact O-CA 3.44Å; E86-M204 PolarHBondContact O-N 2.96Å; E86-M204 VanDerWaalsContact O-N 3.1Å; E86-N207 PolarHBondContact OE2-ND2 2.95Å; E86-M347 HydrophobicContact CG-CE 4.4Å
87T82.7Confident82.3Confident2 Ų256.1 Ų56.11%0.01228%0.282CS..Hα-helixtrans-89.7-7.7174.657.40000113.2L83 E84 K85 N89 F92 M204L83-T87 VanDerWaalsContact O-CB 3.3Å; L83-T87 WeakPolarHBondContact O-CB 3.31Å; L83-T87 VanDerWaalsContact O-CG2 3.24Å; L83-T87 WeakPolarHBondContact O-CG2 3.46Å; L83-T87 PolarHBondContact O-N 3.01Å; L83-T87 PolarHBondContact O-OG1 2.61Å; E84-T87 PolarHBondContact O-OG1 2.87Å; K85-T87 VanDerWaalsContact C-N 3.31Å; K85-T87 PolarHBondContact O-N 2.93Å; T87-N89 PolarHBondContact O-N 3.05Å; T87-F92 HydrophobicContact CG2-CD2 4.45Å; T87-M204 HydrophobicContact CG2-CB 4.49Å
88E84.2Confident82Confident154 Ų15459.6 Ų59.672%0.7230%0.3SS*.THydrogen-bonded Turntrans49.539.1-174.3-59.1-178.9-175.200112.2E84 K85E84-E88 PolarHBondContact O-N 2.99Å; K85-E88 PolarHBondContact O-N 3.23Å
89N83.4Confident82.1Confident25 Ų2554 Ų5413%0.13427%0.27CS..  trans-12697.3-174-174.5-14.8000111.2E84 T87 L91 F92 K197E84-N89 PolarHBondContact O-N 3.44Å; T87-N89 PolarHBondContact O-N 3.05Å; N89-L91 PolarHBondContact O-N 3.31Å; N89-L91 WeakPolarHBondContact OD1-CB 3.46Å; N89-L91 PolarHBondContact OD1-N 2.92Å; N89-F92 HydrophobicContact CB-CB 4.25Å; N89-F92 WeakPolarHBondContact O-CB 3.48Å; N89-F92 PolarHBondContact O-N 3.26Å; N89-F92 PolarHBondContact OD1-N 3.46Å; N89-K197 PolarHBondContact ND2-O 3.28Å; N89-K197 VanDerWaalsContact ND2-O 3.14Å
90D82.7Confident82.6Confident143 Ų14352.1 Ų52.177%0.76526%0.261SS*.THydrogen-bonded Turntrans-61.4-15.6180-64.1-26.1000114.2
91L81.9Confident83.1Confident103 Ų10352.5 Ų52.554%0.53926%0.263SS..THydrogen-bonded Turntrans-93.4-0.7175-59.7176.8000112.6N89 S94 N95N89-L91 PolarHBondContact O-N 3.31Å; N89-L91 WeakPolarHBondContact OD1-CB 3.46Å; N89-L91 PolarHBondContact OD1-N 2.92Å; L91-S94 PolarHBondContact O-OG 3.46Å; L91-N95 WeakPolarHBondContact O-CB 3.46Å; L91-N95 PolarHBondContact O-N 3.49Å; L91-N95 PolarHBondContact O-ND2 2.78Å
92F82.8Confident83.5Confident13 Ų1349.5 Ų49.56%0.05725%0.25CS..Hα-helixtrans-56.3-57.4-178.1-176.5-88.5000110.4V80 L83 E84 T87 N89 S94 N95 F96 I198V80-F92 HydrophobicContact CG1-CD1 4.42Å; V80-F92 HydrophobicContact CG1-CE1 4.43Å; L83-F92 HydrophobicContact CB-CD1 4.23Å; L83-F92 HydrophobicContact CB-CE1 3.61Å; L83-F92 HydrophobicContact CB-CE2 4.45Å; L83-F92 HydrophobicContact CB-CZ 3.75Å; L83-F92 HydrophobicContact CD1-CE1 4.14Å; L83-F92 HydrophobicContact CD1-CZ 3.95Å; L83-F92 HydrophobicContact CG-CZ 4.39Å; E84-F92 HydrophobicContact CB-CB 4.14Å; E84-F92 HydrophobicContact CB-CD1 4.25Å; E84-F92 HydrophobicContact CB-CG 4.49Å; E84-F92 HydrophobicContact CG-CB 4.2Å; T87-F92 HydrophobicContact CG2-CD2 4.45Å; N89-F92 HydrophobicContact CB-CB 4.25Å; N89-F92 WeakPolarHBondContact O-CB 3.48Å; N89-F92 PolarHBondContact O-N 3.26Å; N89-F92 PolarHBondContact OD1-N 3.46Å; F92-S94 PolarHBondContact O-N 3.05Å; F92-N95 PolarHBondContact O-N 3.49Å; F92-F96 HydrophobicContact CD1-CB 4.3Å; F92-F96 HydrophobicContact CE1-CB 4.05Å; F92-F96 HydrophobicContact CE1-CD1 4.19Å; F92-F96 HydrophobicContact CE1-CD2 4.35Å; F92-F96 AromaticContact CE1-CG 3.95Å; F92-F96 HydrophobicContact CE1-CG 3.95Å; F92-F96 HydrophobicContact CZ-CB 4.35Å; F92-F96 AromaticContact CZ-CD2 4Å; F92-F96 HydrophobicContact CZ-CD2 4Å; F92-F96 HydrophobicContact CZ-CE2 4.43Å; F92-F96 HydrophobicContact CZ-CG 4.07Å; F92-F96 WeakPolarHBondContact O-CB 3.41Å; F92-F96 PolarHBondContact O-N 3.43Å; F92-I198 HydrophobicContact CD2-CB 3.89Å; F92-I198 HydrophobicContact CD2-CD1 4.27Å; F92-I198 HydrophobicContact CD2-CG2 4.31Å; F92-I198 HydrophobicContact CE2-CB 4.34Å; F92-I198 HydrophobicContact CE2-CD1 4.05Å
93A80.8Confident84.1Confident5 Ų546.2 Ų46.24%0.04124%0.235CC..Hα-helixtrans-62.2-43.6-174.200000112.6K76 V80 E84 F96 L97K76-A93 HydrophobicContact CD-CB 3.79Å; K76-A93 VanDerWaalsContact CE-CB 3.4Å; K76-A93 HydrophobicContact CG-CB 4.32Å; V80-A93 HydrophobicContact CG1-CB 3.91Å; E84-A93 WeakPolarHBondContact OE1-CB 3.38Å; A93-F96 PolarHBondContact O-N 2.78Å; A93-L97 HydrophobicContact CB-CD1 4.43Å; A93-L97 VanDerWaalsContact O-CB 3.24Å; A93-L97 WeakPolarHBondContact O-CB 3.27Å; A93-L97 WeakPolarHBondContact O-CG 3.29Å; A93-L97 PolarHBondContact O-N 3.28Å
94S77.6Confident84.7Confident53 Ų5345.3 Ų45.337%0.37123%0.23SC..Hα-helixtrans-66.7-41.6179.754.30000112.6L91 F92 D98L91-S94 PolarHBondContact O-OG 3.46Å; F92-S94 PolarHBondContact O-N 3.05Å; S94-D98 VanDerWaalsContact O-CB 3.29Å; S94-D98 WeakPolarHBondContact O-CB 3.26Å; S94-D98 VanDerWaalsContact O-CG 3.25Å
95N80.5Confident85.2Confident17 Ų1744.1 Ų44.19%0.09123%0.225CC..Hα-helixtrans-76.4-27.6178.4-74.4-45.1000112.5L91 F92 V99 R194 I198L91-N95 WeakPolarHBondContact O-CB 3.46Å; L91-N95 PolarHBondContact O-N 3.49Å; L91-N95 PolarHBondContact O-ND2 2.78Å; F92-N95 PolarHBondContact O-N 3.49Å; N95-V99 VanDerWaalsContact O-CB 3.27Å; N95-V99 WeakPolarHBondContact O-CB 3.21Å; N95-V99 WeakPolarHBondContact O-CG2 3.4Å; N95-R194 HydrophobicContact CB-CB 4.49Å; N95-I198 HydrophobicContact CB-CG2 3.58Å
96F82.5Confident85.6Confident25 Ų2537.7 Ų37.711%0.1120%0.197CC..Hα-helixtrans-82-52.9-179.3-174.8-101.1000111.9V45 V80 F92 A93 V99 T100 I198 L272V45-F96 HydrophobicContact CB-CE1 4.46Å; V45-F96 HydrophobicContact CG1-CD1 4.34Å; V45-F96 HydrophobicContact CG1-CE1 3.76Å; V45-F96 HydrophobicContact CG2-CE1 3.78Å; V45-F96 HydrophobicContact CG2-CZ 4.27Å; V80-F96 HydrophobicContact CG2-CD1 4.15Å; V80-F96 HydrophobicContact CG2-CE1 4.09Å; F92-F96 HydrophobicContact CD1-CB 4.3Å; F92-F96 HydrophobicContact CE1-CB 4.05Å; F92-F96 HydrophobicContact CE1-CD1 4.19Å; F92-F96 HydrophobicContact CE1-CD2 4.35Å; F92-F96 AromaticContact CE1-CG 3.95Å; F92-F96 HydrophobicContact CE1-CG 3.95Å; F92-F96 HydrophobicContact CZ-CB 4.35Å; F92-F96 AromaticContact CZ-CD2 4Å; F92-F96 HydrophobicContact CZ-CD2 4Å; F92-F96 HydrophobicContact CZ-CE2 4.43Å; F92-F96 HydrophobicContact CZ-CG 4.07Å; F92-F96 WeakPolarHBondContact O-CB 3.41Å; F92-F96 PolarHBondContact O-N 3.43Å; A93-F96 PolarHBondContact O-N 2.78Å; F96-V99 PolarHBondContact O-N 3.15Å; F96-T100 HydrophobicContact CD1-CG2 4.27Å; F96-T100 HydrophobicContact CD2-CG2 3.89Å; F96-T100 HydrophobicContact CE1-CG2 4.15Å; F96-T100 HydrophobicContact CE2-CG2 3.77Å; F96-T100 HydrophobicContact CG-CG2 4.14Å; F96-T100 HydrophobicContact CZ-CG2 3.9Å; F96-T100 WeakPolarHBondContact O-CB 3.04Å; F96-T100 WeakPolarHBondContact O-CG2 3.38Å; F96-T100 PolarHBondContact O-N 3.24Å; F96-T100 PolarHBondContact O-OG1 3.3Å; F96-I198 HydrophobicContact CB-CD1 3.96Å; F96-I198 HydrophobicContact CD2-CD1 3.86Å; F96-I198 HydrophobicContact CG-CD1 4.41Å; F96-L272 HydrophobicContact CE2-CD2 3.46Å; F96-L272 VanDerWaalsContact CE2-CD2 3.46Å; F96-L272 HydrophobicContact CZ-CD2 3.78Å
97L80.6Confident86.2Confident31 Ų3135.4 Ų35.416%0.16219%0.187CC..Hα-helixtrans-67.6-40.8-174.6-67.2175.1000112.6V45 K76 V80 A93 V99 T100V45-L97 HydrophobicContact CG1-CD2 3.46Å; V45-L97 VanDerWaalsContact CG1-CD2 3.46Å; K76-L97 HydrophobicContact CG-CD1 4.33Å; V80-L97 HydrophobicContact CG1-CD1 4.32Å; V80-L97 HydrophobicContact CG1-CG 4.38Å; V80-L97 HydrophobicContact CG2-CD2 4.11Å; A93-L97 HydrophobicContact CB-CD1 4.43Å; A93-L97 VanDerWaalsContact O-CB 3.24Å; A93-L97 WeakPolarHBondContact O-CB 3.27Å; A93-L97 WeakPolarHBondContact O-CG 3.29Å; A93-L97 PolarHBondContact O-N 3.28Å; L97-V99 VanDerWaalsContact C-N 3.27Å; L97-V99 PolarHBondContact O-N 2.96Å; L97-T100 PolarHBondContact O-OG1 2.86Å
98D73Confident86.9Confident77 Ų7735.3 Ų35.341%0.41219%0.186SC..Hα-helixtrans-69-28-178.3-68.9-12000112.4S94 N102S94-D98 VanDerWaalsContact O-CB 3.29Å; S94-D98 WeakPolarHBondContact O-CB 3.26Å; S94-D98 VanDerWaalsContact O-CG 3.25Å; D98-N102 PolarHBondContact O-ND2 3.04Å
99V83.5Confident87.4Confident9 Ų931.6 Ų31.66%0.05517%0.171CC..Hα-helixtrans-89.3-47.9-174.6174.90000111.5N95 F96 L97 H101 N102 V103 A191 R194N95-V99 VanDerWaalsContact O-CB 3.27Å; N95-V99 WeakPolarHBondContact O-CB 3.21Å; N95-V99 WeakPolarHBondContact O-CG2 3.4Å; F96-V99 PolarHBondContact O-N 3.15Å; L97-V99 VanDerWaalsContact C-N 3.27Å; L97-V99 PolarHBondContact O-N 2.96Å; V99-H101 PolarHBondContact O-N 3.25Å; V99-N102 PolarHBondContact O-N 3.04Å; V99-V103 HydrophobicContact CG1-CG1 3.74Å; V99-V103 WeakPolarHBondContact O-CG2 3.39Å; V99-V103 PolarHBondContact O-N 2.99Å; V99-A191 HydrophobicContact CG1-CB 3.41Å; V99-A191 VanDerWaalsContact CG1-CB 3.41Å; V99-R194 HydrophobicContact CG2-CB 3.78Å; V99-R194 HydrophobicContact CG2-CG 4.16Å
100T89.8Confident88.1Confident9 Ų931.2 Ų31.26%0.05517%0.169CC..Hα-helixtrans-58.3-42.9-167.7470000113.4F96 L97 V103 E104 Q271 L272F96-T100 HydrophobicContact CD1-CG2 4.27Å; F96-T100 HydrophobicContact CD2-CG2 3.89Å; F96-T100 HydrophobicContact CE1-CG2 4.15Å; F96-T100 HydrophobicContact CE2-CG2 3.77Å; F96-T100 HydrophobicContact CG-CG2 4.14Å; F96-T100 HydrophobicContact CZ-CG2 3.9Å; F96-T100 WeakPolarHBondContact O-CB 3.04Å; F96-T100 WeakPolarHBondContact O-CG2 3.38Å; F96-T100 PolarHBondContact O-N 3.24Å; F96-T100 PolarHBondContact O-OG1 3.3Å; L97-T100 PolarHBondContact O-OG1 2.86Å; T100-V103 WeakPolarHBondContact O-CG2 3.27Å; T100-E104 PolarHBondContact O-N 3.18Å; T100-Q271 WeakPolarHBondContact CA-O 3.16Å; T100-Q271 WeakPolarHBondContact CB-O 3Å; T100-Q271 WeakPolarHBondContact CG2-O 3.16Å; T100-L272 HydrophobicContact CG2-CD2 3.85Å
101H92.4Very high88.7Confident8 Ų824.5 Ų24.54%0.03713%0.133CC..Hα-helixtrans-63.7-45.4174.4179.887.1000112.3P71 V99 E104 V105 E128P71-H101 HydrophobicContact CB-CB 3.99Å; P71-H101 WeakPolarHBondContact CD-ND1 3.45Å; P71-H101 HydrophobicContact CG-CB 4.46Å; V99-H101 PolarHBondContact O-N 3.25Å; H101-E104 PolarHBondContact O-N 3.44Å; H101-V105 WeakPolarHBondContact O-CG2 3.47Å; H101-V105 PolarHBondContact O-N 3.17Å; H101-V105 VanDerWaalsContact O-N 3.09Å; H101-E128 PolarHBondContact NE2-O 3.14Å
102N93.4Very high89.2Confident37 Ų3721.8 Ų21.820%0.19812%0.119CC..Hα-helixtrans-72.2-32.4-174.4-76.9-20.2000113D98 V99 Q106 K129 M130D98-N102 PolarHBondContact O-ND2 3.04Å; V99-N102 PolarHBondContact O-N 3.04Å; N102-Q106 VanDerWaalsContact O-CG 3.23Å; N102-Q106 WeakPolarHBondContact O-CG 3.44Å; N102-Q106 PolarHBondContact O-N 3.02Å; N102-Q106 VanDerWaalsContact O-N 3.14Å; N102-K129 VanDerWaalsContact OD1-CA 3.28Å; N102-K129 WeakPolarHBondContact OD1-CA 3.44Å; N102-K129 VanDerWaalsContact OD1-CB 3.29Å; N102-K129 WeakPolarHBondContact OD1-CB 3.29Å; N102-M130 PolarHBondContact OD1-N 3.31Å
103V94.1Very high89.7Confident2 Ų225.1 Ų25.11%0.01214%0.144CC..Hα-helixtrans-70.8-36.7173.6-63.50000111.8V99 T100 V105 Q106 V107 F188 A191 Q271 V273V99-V103 HydrophobicContact CG1-CG1 3.74Å; V99-V103 WeakPolarHBondContact O-CG2 3.39Å; V99-V103 PolarHBondContact O-N 2.99Å; T100-V103 WeakPolarHBondContact O-CG2 3.27Å; V103-V105 VanDerWaalsContact C-N 3.35Å; V103-V105 PolarHBondContact O-N 3.47Å; V103-Q106 WeakPolarHBondContact O-CB 3.43Å; V103-Q106 PolarHBondContact O-N 3.14Å; V103-Q106 VanDerWaalsContact O-N 3.14Å; V103-V107 PolarHBondContact O-N 2.93Å; V103-F188 HydrophobicContact CB-CD1 4.28Å; V103-F188 HydrophobicContact CB-CE1 4.35Å; V103-F188 HydrophobicContact CG1-CD1 4.28Å; V103-A191 HydrophobicContact CG1-CB 3.2Å; V103-Q271 WeakPolarHBondContact CG2-O 3.44Å; V103-V273 HydrophobicContact CB-CG1 3.68Å; V103-V273 HydrophobicContact CG2-CG1 3.82Å
104E95.8Very high90.4Very high2 Ų226.2 Ų26.21%0.00915%0.149CC..Hα-helixtrans-62.9-43.8175.2-166.1178.1-179.500110.9K69 T100 H101 Q106 V107 Y108 I139 W270 Q271K69-E104 WeakPolarHBondContact CE-OE2 3.38Å; K69-E104 IonicContact NZ-OE1 3.79Å; K69-E104 IonicContact NZ-OE2 3.55Å; K69-E104 PolarHBondContact NZ-OE2 3.43Å; T100-E104 PolarHBondContact O-N 3.18Å; H101-E104 PolarHBondContact O-N 3.44Å; E104-Q106 VanDerWaalsContact C-N 3.3Å; E104-Q106 PolarHBondContact O-N 2.69Å; E104-V107 PolarHBondContact O-N 2.73Å; E104-Y108 HydrophobicContact CG-CD2 4.11Å; E104-Y108 HydrophobicContact CG-CE2 3.74Å; E104-Y108 WeakPolarHBondContact O-CD2 3.14Å; E104-Y108 PolarHBondContact O-N 3.4Å; E104-I139 HydrophobicContact CB-CD1 3.77Å; E104-I139 VanDerWaalsContact CD-CD1 3.47Å; E104-I139 HydrophobicContact CG-CD1 3.62Å; E104-I139 WeakPolarHBondContact OE2-CD1 3.26Å; E104-W270 HydrophobicContact CG-CB 4.18Å; E104-Q271 HydrophobicContact CB-CB 4.39Å
105V96.1Very high91Very high3 Ų331.8 Ų31.82%0.01817%0.169CC..Hα-helixtrans-56.6-44.3172.4173.40000111.2H101 V103 V107 Y108 D109 R127 K129 I139H101-V105 WeakPolarHBondContact O-CG2 3.47Å; H101-V105 PolarHBondContact O-N 3.17Å; H101-V105 VanDerWaalsContact O-N 3.09Å; V103-V105 VanDerWaalsContact C-N 3.35Å; V103-V105 PolarHBondContact O-N 3.47Å; V105-V107 PolarHBondContact O-N 2.74Å; V105-Y108 PolarHBondContact O-N 2.71Å; V105-D109 PolarHBondContact O-N 3.05Å; V105-R127 HydrophobicContact CG1-CB 4.17Å; V105-R127 HydrophobicContact CG1-CG 4.2Å; V105-R127 HydrophobicContact CG2-CB 4.3Å; V105-K129 HydrophobicContact CB-CG 4.19Å; V105-K129 HydrophobicContact CG1-CG 3.76Å; V105-I139 HydrophobicContact CG2-CD1 3.98Å; V105-I139 HydrophobicContact CG2-CG1 3.88Å
106Q96Very high91.6Very high26 Ų2638.4 Ų38.412%0.12120%0.197CC..Hα-helixtrans-64.7-39.4-179.2-72.3170.229.800113N102 V103 E104 Y108 D109 I110 P187 F188N102-Q106 VanDerWaalsContact O-CG 3.23Å; N102-Q106 WeakPolarHBondContact O-CG 3.44Å; N102-Q106 PolarHBondContact O-N 3.02Å; N102-Q106 VanDerWaalsContact O-N 3.14Å; V103-Q106 WeakPolarHBondContact O-CB 3.43Å; V103-Q106 PolarHBondContact O-N 3.14Å; V103-Q106 VanDerWaalsContact O-N 3.14Å; E104-Q106 VanDerWaalsContact C-N 3.3Å; E104-Q106 PolarHBondContact O-N 2.69Å; Q106-Y108 VanDerWaalsContact C-N 3.33Å; Q106-Y108 PolarHBondContact O-N 2.99Å; Q106-D109 WeakPolarHBondContact O-CB 3.32Å; Q106-D109 PolarHBondContact O-N 2.88Å; Q106-I110 WeakPolarHBondContact O-CG1 3.36Å; Q106-I110 PolarHBondContact O-N 3.36Å; Q106-P187 PolarHBondContact OE1-O 2.98Å; Q106-F188 HydrophobicContact CB-CE1 3.89Å; Q106-F188 HydrophobicContact CB-CZ 4.27Å
107V96.6Very high92.3Very high0 Ų038.9 Ų38.90%020%0.203CC..Hα-helixtrans-60.9-45.6174.7169.60000110.9V103 E104 V105 D109 I110 F111 F188 L240 W270 V273V103-V107 PolarHBondContact O-N 2.93Å; E104-V107 PolarHBondContact O-N 2.73Å; V105-V107 PolarHBondContact O-N 2.74Å; V107-D109 VanDerWaalsContact C-N 3.33Å; V107-D109 PolarHBondContact O-N 2.77Å; V107-I110 PolarHBondContact O-N 3.45Å; V107-F111 HydrophobicContact CG1-CD2 3.53Å; V107-F111 HydrophobicContact CG1-CE1 4.39Å; V107-F111 HydrophobicContact CG1-CE2 3.27Å; V107-F111 HydrophobicContact CG1-CG 4.23Å; V107-F111 HydrophobicContact CG1-CZ 3.75Å; V107-F111 WeakPolarHBondContact O-CB 3.42Å; V107-F111 WeakPolarHBondContact O-CG 3.34Å; V107-F111 PolarHBondContact O-N 2.81Å; V107-F188 HydrophobicContact CG2-CE1 3.75Å; V107-F188 HydrophobicContact CG2-CZ 3.54Å; V107-L240 HydrophobicContact CG2-CD2 4.47Å; V107-W270 HydrophobicContact CB-CB 4.28Å; V107-W270 HydrophobicContact CG1-CB 4.07Å; V107-W270 HydrophobicContact CG1-CD2 3.98Å; V107-W270 HydrophobicContact CG1-CE3 4.07Å; V107-W270 HydrophobicContact CG1-CG 3.99Å; V107-W270 HydrophobicContact CG2-CB 4.41Å; V107-V273 HydrophobicContact CG2-CB 3.8Å; V107-V273 HydrophobicContact CG2-CG1 3.36Å; V107-V273 HydrophobicContact CG2-CG2 3.58Å
108Y97Very high93.1Very high0 Ų038.3 Ų38.30%020%0.201CC..Hα-helixtrans-66.9-33.7177.6-73.8-60.8000112.7E104 V105 Q106 D112 I121 C124 R127 I139 L141E104-Y108 HydrophobicContact CG-CD2 4.11Å; E104-Y108 HydrophobicContact CG-CE2 3.74Å; E104-Y108 WeakPolarHBondContact O-CD2 3.14Å; E104-Y108 PolarHBondContact O-N 3.4Å; V105-Y108 PolarHBondContact O-N 2.71Å; Q106-Y108 VanDerWaalsContact C-N 3.33Å; Q106-Y108 PolarHBondContact O-N 2.99Å; Y108-D112 WeakPolarHBondContact O-CB 3.33Å; Y108-D112 PolarHBondContact O-N 3Å; Y108-I121 HydrophobicContact CD1-CD1 4.39Å; Y108-I121 HydrophobicContact CE1-CD1 4.38Å; Y108-C124 HydrophobicContact CD1-CB 3.59Å; Y108-C124 HydrophobicContact CD2-CB 4.39Å; Y108-C124 HydrophobicContact CE1-CB 4.08Å; Y108-C124 HydrophobicContact CG-CB 3.78Å; Y108-R127 VanDerWaalsContact CB-CD 3.46Å; Y108-R127 PolarHBondContact O-NH2 2.9Å; Y108-I139 HydrophobicContact CD2-CG2 4.23Å; Y108-I139 HydrophobicContact CE2-CG2 4.07Å; Y108-L141 HydrophobicContact CE1-CD2 4.03Å; Y108-L141 HydrophobicContact CE2-CD2 3.85Å
109D95.9Very high94.3Very high75 Ų7534.9 Ų34.940%0.40118%0.183SC..Hα-helixtrans-60.9-45.7171.4-76-24.8000111.5V105 Q106 V107 S113 R127V105-D109 PolarHBondContact O-N 3.05Å; Q106-D109 WeakPolarHBondContact O-CB 3.32Å; Q106-D109 PolarHBondContact O-N 2.88Å; V107-D109 VanDerWaalsContact C-N 3.33Å; V107-D109 PolarHBondContact O-N 2.77Å; D109-S113 WeakPolarHBondContact O-CB 3.37Å; D109-S113 PolarHBondContact O-N 3.45Å; D109-R127 WeakPolarHBondContact OD1-CD 3.25Å; D109-R127 IonicContact OD1-CZ 3.67Å; D109-R127 IonicContact OD1-NE 3.89Å; D109-R127 PolarHBondContact OD1-NE 3.21Å; D109-R127 IonicContact OD1-NH2 3.51Å
110I96.4Very high94.9Very high18 Ų1836.8 Ų36.89%0.09220%0.196CC..Hα-helixtrans-62.8-53.3176.6-67.7167.1000109.9Q106 V107 D112 S113 L114 W176 W184 P187 F188Q106-I110 WeakPolarHBondContact O-CG1 3.36Å; Q106-I110 PolarHBondContact O-N 3.36Å; V107-I110 PolarHBondContact O-N 3.45Å; I110-D112 PolarHBondContact O-N 3.05Å; I110-S113 WeakPolarHBondContact O-CB 3.29Å; I110-S113 PolarHBondContact O-N 3.19Å; I110-S113 VanDerWaalsContact O-N 3.12Å; I110-S113 PolarHBondContact O-OG 3.04Å; I110-L114 WeakPolarHBondContact O-CG 3.34Å; I110-W176 HydrophobicContact CG2-CH2 3.61Å; I110-W176 HydrophobicContact CG2-CZ2 4.09Å; I110-W184 HydrophobicContact CD1-CB 4.28Å; I110-P187 HydrophobicContact CD1-CG 4.43Å; I110-F188 HydrophobicContact CD1-CE2 3.64Å; I110-F188 HydrophobicContact CD1-CZ 3.74Å
111F95.9Very high95.2Very high1 Ų137.6 Ų37.60%0.00420%0.199CC..Hα-helixtrans-66.2-35.8-173.2-69.9-13.1000114V107 S113 L114 P117 P118 V119 I121 L173 L240 W270V107-F111 HydrophobicContact CG1-CD2 3.53Å; V107-F111 HydrophobicContact CG1-CE1 4.39Å; V107-F111 HydrophobicContact CG1-CE2 3.27Å; V107-F111 HydrophobicContact CG1-CG 4.23Å; V107-F111 HydrophobicContact CG1-CZ 3.75Å; V107-F111 WeakPolarHBondContact O-CB 3.42Å; V107-F111 WeakPolarHBondContact O-CG 3.34Å; V107-F111 PolarHBondContact O-N 2.81Å; F111-S113 VanDerWaalsContact C-N 3.32Å; F111-L114 HydrophobicContact CD1-CD1 4.47Å; F111-L114 WeakPolarHBondContact O-CB 3.4Å; F111-L114 PolarHBondContact O-N 2.95Å; F111-P117 HydrophobicContact CB-CB 4.24Å; F111-P117 HydrophobicContact CB-CG 4.43Å; F111-P117 HydrophobicContact CG-CB 4.47Å; F111-P118 HydrophobicContact CD1-CG 4.32Å; F111-P118 HydrophobicContact CE1-CG 3.9Å; F111-V119 HydrophobicContact CE2-CG1 3.87Å; F111-V119 HydrophobicContact CZ-CG1 3.96Å; F111-I121 HydrophobicContact CB-CD1 3.79Å; F111-I121 HydrophobicContact CD2-CD1 3.75Å; F111-I121 HydrophobicContact CD2-CG2 3.91Å; F111-I121 HydrophobicContact CE2-CG2 3.97Å; F111-I121 HydrophobicContact CG-CD1 4.22Å; F111-L173 HydrophobicContact CE1-CD1 4.25Å; F111-L173 HydrophobicContact CZ-CD1 4.06Å; F111-L240 HydrophobicContact CE1-CD2 4.2Å; F111-L240 HydrophobicContact CZ-CD2 3.95Å; F111-W270 HydrophobicContact CE2-CD2 4.36Å; F111-W270 HydrophobicContact CE2-CE3 4.44Å; F111-W270 HydrophobicContact CE2-CH2 4.19Å; F111-W270 HydrophobicContact CE2-CZ2 4.08Å; F111-W270 HydrophobicContact CE2-CZ3 4.36Å; F111-W270 HydrophobicContact CZ-CH2 4.33Å; F111-W270 HydrophobicContact CZ-CZ3 4.34Å
112D92.5Very high95.4Very high46 Ų4637.2 Ų37.225%0.24620%0.198CC..Hα-helixtrans-78.5-14.6175.3-84.3-16000113.3Y108 I110 L114 R123 R127Y108-D112 WeakPolarHBondContact O-CB 3.33Å; Y108-D112 PolarHBondContact O-N 3Å; I110-D112 PolarHBondContact O-N 3.05Å; D112-L114 PolarHBondContact O-N 2.69Å; D112-R123 IonicContact OD1-NH1 3.69Å; D112-R123 PolarHBondContact OD1-NH1 3.35Å; D112-R127 IonicContact OD2-CZ 2.69Å; D112-R127 IonicContact OD2-NH1 2.77Å; D112-R127 PolarHBondContact OD2-NH1 2.93Å; D112-R127 IonicContact OD2-NH2 2.59Å; D112-R127 PolarHBondContact OD2-NH2 2.65Å
113S93.2Very high95.4Very high83 Ų8338.9 Ų38.958%0.5820%0.201SC*.THydrogen-bonded Turntrans-73.5-14.3170.379.10000112.7D109 I110 F111D109-S113 WeakPolarHBondContact O-CB 3.37Å; D109-S113 PolarHBondContact O-N 3.45Å; I110-S113 WeakPolarHBondContact O-CB 3.29Å; I110-S113 PolarHBondContact O-N 3.19Å; I110-S113 VanDerWaalsContact O-N 3.12Å; I110-S113 PolarHBondContact O-OG 3.04Å; F111-S113 VanDerWaalsContact C-N 3.32Å
114L95.1Very high95.4Very high29 Ų2939 Ų3915%0.15220%0.202CC..SBendtrans-91148.3178.3-52.9175.1000110.2I110 F111 D112 F116 P118 W176 I182I110-L114 WeakPolarHBondContact O-CG 3.34Å; F111-L114 HydrophobicContact CD1-CD1 4.47Å; F111-L114 WeakPolarHBondContact O-CB 3.4Å; F111-L114 PolarHBondContact O-N 2.95Å; D112-L114 PolarHBondContact O-N 2.69Å; L114-F116 PolarHBondContact O-N 3.36Å; L114-P118 HydrophobicContact CD1-CG 4.46Å; L114-W176 HydrophobicContact CD1-CZ2 3.83Å; L114-W176 HydrophobicContact CD2-CZ2 4.24Å; L114-I182 HydrophobicContact CD2-CD1 3.29Å
115E91.3Very high95.4Very high170 Ų17039.9 Ų39.979%0.79421%0.206SC*.SBendtrans-60.2-40.6171.6-168.7-178176.700111
116F93.4Very high95.4Very high155 Ų15539.9 Ų39.968%0.6821%0.206SC*.SBendtrans-134.4125.6174.1-55-74.9000109.8L114L114-F116 PolarHBondContact O-N 3.36Å
117P96.5Very high95.4Very high35 Ų3541 Ų4123%0.22721%0.209CC..  trans-57.5141.3169.6-25.134.9000110.8F111 V119 I121F111-P117 HydrophobicContact CB-CB 4.24Å; F111-P117 HydrophobicContact CB-CG 4.43Å; F111-P117 HydrophobicContact CG-CB 4.47Å; P117-V119 PolarHBondContact O-N 2.96Å; P117-V119 VanDerWaalsContact O-N 3.11Å; P117-I121 HydrophobicContact CB-CD1 3.9Å; P117-I121 HydrophobicContact CB-CG1 4.13Å; P117-I121 HydrophobicContact CG-CD1 3.76Å; P117-I121 HydrophobicContact CG-CG1 4.08Å
118P96.9Very high95.4Very high20 Ų2043 Ų4313%0.1322%0.218CC..SBendtrans-75.71.4-176.434.8-39.7000113F111 L114 D172 L173 W176F111-P118 HydrophobicContact CD1-CG 4.32Å; F111-P118 HydrophobicContact CE1-CG 3.9Å; L114-P118 HydrophobicContact CD1-CG 4.46Å; P118-D172 CarbonylContact O-C 3.56Å; P118-D172 VanDerWaalsContact O-CB 3.29Å; P118-D172 WeakPolarHBondContact O-CB 3.44Å; P118-L173 HydrophobicContact CB-CD1 4.41Å; P118-L173 HydrophobicContact CG-CD1 3.69Å; P118-L173 PolarHBondContact O-N 3.39Å; P118-W176 HydrophobicContact CB-CB 3.55Å; P118-W176 HydrophobicContact CB-CD2 4.11Å; P118-W176 HydrophobicContact CB-CE3 4.49Å; P118-W176 HydrophobicContact CB-CG 3.68Å; P118-W176 HydrophobicContact CG-CB 4.26Å; P118-W176 HydrophobicContact CG-CD2 3.87Å; P118-W176 HydrophobicContact CG-CE3 3.94Å; P118-W176 HydrophobicContact CG-CG 4Å
119V97.8Very high95.2Very high4 Ų447.9 Ų47.92%0.02424%0.239CC..SBendtrans-148.3145.8179.863.80000108.8F111 P117 I121 A169 L173 I267 W270F111-V119 HydrophobicContact CE2-CG1 3.87Å; F111-V119 HydrophobicContact CZ-CG1 3.96Å; P117-V119 PolarHBondContact O-N 2.96Å; P117-V119 VanDerWaalsContact O-N 3.11Å; V119-I121 HydrophobicContact CG1-CG2 3.79Å; V119-I121 PolarHBondContact O-N 2.95Å; V119-A169 HydrophobicContact CG2-CB 4.22Å; V119-L173 HydrophobicContact CB-CB 4.31Å; V119-L173 HydrophobicContact CG1-CD1 4.43Å; V119-I267 HydrophobicContact CG2-CD1 3.86Å; V119-W270 HydrophobicContact CG1-CH2 3.72Å; V119-W270 HydrophobicContact CG1-CZ2 3.7Å; V119-W270 HydrophobicContact CG2-CH2 4.49Å; V119-W270 HydrophobicContact CG2-CZ2 4.5Å
120P97.3Very high95Very high50 Ų5045.8 Ų45.833%0.32523%0.227SC..  trans-62.8121.1174.9-22.634.8000111.2L264 A265 A266 I267P120-L264 HydrophobicContact CG-CD2 4.13Å; P120-A265 WeakPolarHBondContact CB-O 3.5Å; P120-A266 CarbonylContact O-C 3.52Å; P120-A266 WeakPolarHBondContact O-CA 3.43Å; P120-I267 PolarHBondContact O-N 3.31Å
121I96.7Very high94.7Very high25 Ų2548.1 Ų48.113%0.12824%0.24CC..BIsolated β-bridgetrans-127.5159.6179.662.2175.3000111.4Y108 F111 P117 V119 W270Y108-I121 HydrophobicContact CD1-CD1 4.39Å; Y108-I121 HydrophobicContact CE1-CD1 4.38Å; F111-I121 HydrophobicContact CB-CD1 3.79Å; F111-I121 HydrophobicContact CD2-CD1 3.75Å; F111-I121 HydrophobicContact CD2-CG2 3.91Å; F111-I121 HydrophobicContact CE2-CG2 3.97Å; F111-I121 HydrophobicContact CG-CD1 4.22Å; P117-I121 HydrophobicContact CB-CD1 3.9Å; P117-I121 HydrophobicContact CB-CG1 4.13Å; P117-I121 HydrophobicContact CG-CD1 3.76Å; P117-I121 HydrophobicContact CG-CG1 4.08Å; V119-I121 HydrophobicContact CG1-CG2 3.79Å; V119-I121 PolarHBondContact O-N 2.95Å; I121-W270 HydrophobicContact CG2-CZ2 4.02Å
122A95Very high94.2Very high1 Ų153.4 Ų53.41%0.00827%0.268CS..  trans-67137.5161.400000109.8C124 L141 L144 I268A122-C124 PolarHBondContact O-N 3Å; A122-L141 HydrophobicContact CB-CB 4.4Å; A122-L144 HydrophobicContact CB-CD1 4.02Å; A122-L144 HydrophobicContact CB-CD2 4.32Å; A122-L144 HydrophobicContact CB-CG 4.16Å; A122-I268 HydrophobicContact CB-CG2 3.93Å
123R93.3Very high94Very high72 Ų7258.5 Ų58.527%0.27230%0.295SS..  trans-63.2133.1174.6179.263.565.1-169.71.5109.8Y23 D112 F125 L141 E142Y23-R123 PolarHBondContact OH-NE 3.5Å; Y23-R123 VanDerWaalsContact OH-NE 3.16Å; Y23-R123 PolarHBondContact OH-NH2 3.34Å; D112-R123 IonicContact OD1-NH1 3.69Å; D112-R123 PolarHBondContact OD1-NH1 3.35Å; R123-F125 HydrophobicContact CB-CE1 4.4Å; R123-F125 HydrophobicContact CB-CE2 4.39Å; R123-F125 HydrophobicContact CB-CZ 4.01Å; R123-F125 HydrophobicContact CG-CD1 4.08Å; R123-F125 HydrophobicContact CG-CE1 3.55Å; R123-F125 HydrophobicContact CG-CE2 4.28Å; R123-F125 HydrophobicContact CG-CZ 3.67Å; R123-L141 CarbonylContact O-C 3.38Å; R123-L141 VanDerWaalsContact O-CA 3.29Å; R123-L141 WeakPolarHBondContact O-CA 3.32Å; R123-E142 HydrophobicContact CB-CB 4.12Å; R123-E142 PolarHBondContact O-N 3.25Å
124C95.8Very high93.8Very high5 Ų558.3 Ų58.33%0.03429%0.291CS..EExtended strand (participates in β ladder)trans-99.5113.4172.9-176.10000110.1Y108 A122 M126 R127 V140 L141Y108-C124 HydrophobicContact CD1-CB 3.59Å; Y108-C124 HydrophobicContact CD2-CB 4.39Å; Y108-C124 HydrophobicContact CE1-CB 4.08Å; Y108-C124 HydrophobicContact CG-CB 3.78Å; A122-C124 PolarHBondContact O-N 3Å; C124-M126 PolarHBondContact SG-O 3.19Å; C124-R127 PolarHBondContact O-NH1 2.99Å; C124-R127 PolarHBondContact SG-NH1 3.33Å; C124-V140 CarbonylContact C-O 3.54Å; C124-V140 WeakPolarHBondContact CA-O 3.34Å; C124-L141 HydrophobicContact CB-CD2 3.69Å
125F94.8Very high93.5Very high20 Ų2062.9 Ų62.99%0.08831%0.309CS..EExtended strand (participates in β ladder)trans-86.6-27.3-178.3-64-67.8000113.5I20 W24 L66 R123 V140 E142I20-F125 HydrophobicContact CG1-CD1 4.32Å; W24-F125 HydrophobicContact CE3-CE1 4.46Å; W24-F125 HydrophobicContact CH2-CD1 4.09Å; W24-F125 AromaticContact CH2-CE1 3.05Å; W24-F125 HydrophobicContact CH2-CE1 3.05Å; W24-F125 HydrophobicContact CH2-CE2 4.37Å; W24-F125 AromaticContact CH2-CZ 3.24Å; W24-F125 HydrophobicContact CH2-CZ 3.24Å; W24-F125 AromaticContact CZ2-CE1 3.79Å; W24-F125 HydrophobicContact CZ2-CE1 3.79Å; W24-F125 AromaticContact CZ2-CZ 3.94Å; W24-F125 HydrophobicContact CZ2-CZ 3.94Å; W24-F125 HydrophobicContact CZ3-CD1 4.06Å; W24-F125 AromaticContact CZ3-CE1 3.43Å; W24-F125 HydrophobicContact CZ3-CE1 3.43Å; W24-F125 VanDerWaalsContact CZ3-CE1 3.43Å; W24-F125 HydrophobicContact CZ3-CZ 4.01Å; L66-F125 HydrophobicContact CD2-CD2 3.44Å; L66-F125 VanDerWaalsContact CD2-CD2 3.44Å; L66-F125 HydrophobicContact CD2-CE2 3.38Å; L66-F125 HydrophobicContact CD2-CG 4.48Å; L66-F125 HydrophobicContact CD2-CZ 4.42Å; R123-F125 HydrophobicContact CB-CE1 4.4Å; R123-F125 HydrophobicContact CB-CE2 4.39Å; R123-F125 HydrophobicContact CB-CZ 4.01Å; R123-F125 HydrophobicContact CG-CD1 4.08Å; R123-F125 HydrophobicContact CG-CE1 3.55Å; R123-F125 HydrophobicContact CG-CE2 4.28Å; R123-F125 HydrophobicContact CG-CZ 3.67Å; F125-V140 PolarHBondContact N-O 3.43Å; F125-E142 HydrophobicContact CE2-CB 3.85Å; F125-E142 HydrophobicContact CZ-CB 4.35Å
126M96.2Very high93.6Very high2 Ų257.5 Ų57.51%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-154.2137.3-179-178.4178.3178.800108.7Y9 L12 E15 L16 C124 E128 I138 I139 V140Y9-M126 HydrophobicContact CD1-CE 4.15Å; Y9-M126 HydrophobicContact CE1-CE 3.79Å; L12-M126 HydrophobicContact CD1-SD 4.08Å; E15-M126 WeakPolarHBondContact OE2-CE 3.24Å; L16-M126 HydrophobicContact CD2-CB 4.23Å; L16-M126 HydrophobicContact CD2-SD 4.12Å; C124-M126 PolarHBondContact SG-O 3.19Å; M126-E128 HydrophobicContact CE-CG 4.41Å; M126-E128 WeakPolarHBondContact CE-OE1 3.23Å; M126-I138 HydrophobicContact CE-CG2 3.83Å; M126-I138 HydrophobicContact CG-CG2 4.12Å; M126-I138 HydrophobicContact SD-CG2 4.23Å; M126-I139 CarbonylContact O-C 3.51Å; M126-I139 WeakPolarHBondContact O-CA 3.34Å; M126-V140 HydrophobicContact CB-CB 3.95Å; M126-V140 HydrophobicContact CB-CG2 3.89Å; M126-V140 HydrophobicContact CG-CG2 4.46Å; M126-V140 PolarHBondContact O-N 2.84Å; M126-V140 HydrophobicContact SD-CG2 4.42Å
127R95.8Very high93.7Very high51 Ų5150.1 Ų50.119%0.19225%0.249CC..EExtended strand (participates in β ladder)trans-149.7139.2174.756.3-169.2166.3-94.5-0.9110V105 Y108 D109 D112 C124 I138 I139V105-R127 HydrophobicContact CG1-CB 4.17Å; V105-R127 HydrophobicContact CG1-CG 4.2Å; V105-R127 HydrophobicContact CG2-CB 4.3Å; Y108-R127 VanDerWaalsContact CB-CD 3.46Å; Y108-R127 PolarHBondContact O-NH2 2.9Å; D109-R127 WeakPolarHBondContact OD1-CD 3.25Å; D109-R127 IonicContact OD1-CZ 3.67Å; D109-R127 IonicContact OD1-NE 3.89Å; D109-R127 PolarHBondContact OD1-NE 3.21Å; D109-R127 IonicContact OD1-NH2 3.51Å; D112-R127 IonicContact OD2-CZ 2.69Å; D112-R127 IonicContact OD2-NH1 2.77Å; D112-R127 PolarHBondContact OD2-NH1 2.93Å; D112-R127 IonicContact OD2-NH2 2.59Å; D112-R127 PolarHBondContact OD2-NH2 2.65Å; C124-R127 PolarHBondContact O-NH1 2.99Å; C124-R127 PolarHBondContact SG-NH1 3.33Å; R127-I138 CarbonylContact C-O 3.19Å; R127-I138 WeakPolarHBondContact CA-O 3.36Å; R127-I139 HydrophobicContact CB-CG1 4.48Å
128E95.9Very high93.6Very high40 Ų4048.4 Ų48.419%0.18724%0.238CC..EExtended strand (participates in β ladder)trans-140.5130175.7-62.6178.5-178.800108Y9 H101 M126 R136 G137 I138Y9-E128 WeakPolarHBondContact CE1-OE2 3.27Å; Y9-E128 PolarHBondContact OH-OE2 2.88Å; H101-E128 PolarHBondContact NE2-O 3.14Å; M126-E128 HydrophobicContact CE-CG 4.41Å; M126-E128 WeakPolarHBondContact CE-OE1 3.23Å; E128-R136 IonicContact OE1-CZ 3.97Å; E128-R136 IonicContact OE1-NE 3.89Å; E128-R136 IonicContact OE1-NH2 2.82Å; E128-R136 PolarHBondContact OE1-NH2 3.37Å; E128-R136 IonicContact OE2-CZ 3.29Å; E128-R136 IonicContact OE2-NE 3.97Å; E128-R136 PolarHBondContact OE2-NE 3.44Å; E128-R136 IonicContact OE2-NH2 2.75Å; E128-R136 PolarHBondContact OE2-NH2 3.5Å; E128-G137 WeakPolarHBondContact O-CA 3.46Å; E128-I138 HydrophobicContact CB-CG2 4.11Å; E128-I138 HydrophobicContact CG-CG2 4.02Å; E128-I138 PolarHBondContact N-O 3.13Å; E128-I138 PolarHBondContact O-N 2.96Å
129K93.9Very high93.7Very high103 Ų10347.5 Ų47.545%0.44823%0.232SC..EExtended strand (participates in β ladder)trans-58.8153.5169.1-70.3-173.2-179.5-179.70110.1N102 V105 N131N102-K129 VanDerWaalsContact OD1-CA 3.28Å; N102-K129 WeakPolarHBondContact OD1-CA 3.44Å; N102-K129 VanDerWaalsContact OD1-CB 3.29Å; N102-K129 WeakPolarHBondContact OD1-CB 3.29Å; V105-K129 HydrophobicContact CB-CG 4.19Å; V105-K129 HydrophobicContact CG1-CG 3.76Å; K129-N131 PolarHBondContact O-N 3.43Å
130M91Very high93.7Very high31 Ų3147.3 Ų47.315%0.15323%0.231CC..EExtended strand (participates in β ladder)trans-63.9122.8175.9-172.163.6-146.100110P71 M73 N102 L132 R136P71-M130 HydrophobicContact CB-SD 4.35Å; P71-M130 HydrophobicContact CG-CG 4.49Å; P71-M130 HydrophobicContact CG-SD 3.44Å; P71-M130 WeakPolarHBondContact CG-SD 3.31Å; M73-M130 HydrophobicContact CE-CE 3.48Å; M73-M130 VanDerWaalsContact CE-CE 3.48Å; M73-M130 HydrophobicContact CG-CE 3.95Å; M73-M130 HydrophobicContact SD-CE 3.16Å; M73-M130 WeakPolarHBondContact SD-CE 3.36Å; M73-M130 HydrophobicContact SD-SD 3.97Å; N102-M130 PolarHBondContact OD1-N 3.31Å; M130-L132 HydrophobicContact CE-CD2 4.3Å; M130-L132 HydrophobicContact CG-CD2 4.41Å; M130-R136 CarbonylContact C-O 3.5Å; M130-R136 WeakPolarHBondContact CA-O 3.43Å
131N90.3Very high93.6Very high67 Ų6745.6 Ų45.636%0.35822%0.219SC..EExtended strand (participates in β ladder)trans-116.3111.7173.5-179.4-57.8000108.4K129 D133 T134 K135 R136K129-N131 PolarHBondContact O-N 3.43Å; N131-D133 VanDerWaalsContact C-N 3.31Å; N131-D133 PolarHBondContact O-N 3.46Å; N131-D133 PolarHBondContact OD1-N 3.24Å; N131-D133 VanDerWaalsContact OD1-N 3.09Å; N131-T134 WeakPolarHBondContact CB-OG1 3.44Å; N131-T134 VanDerWaalsContact CG-OG1 3.29Å; N131-T134 PolarHBondContact OD1-N 2.9Å; N131-T134 PolarHBondContact OD1-OG1 3.05Å; N131-T134 VanDerWaalsContact OD1-OG1 3.13Å; N131-K135 WeakPolarHBondContact O-CA 3.16Å; N131-K135 PolarHBondContact O-N 2.97Å; N131-R136 PolarHBondContact N-O 2.87Å; N131-R136 PolarHBondContact O-N 2.88Å
132L84.9Confident93.6Very high112 Ų11246.8 Ų46.859%0.58622%0.224SC*.THydrogen-bonded Turntrans-66.7-30.8-174-64.1176.6000113M73 M130M73-L132 HydrophobicContact CE-CD2 3.89Å; M73-L132 HydrophobicContact SD-CD2 4.48Å; M130-L132 HydrophobicContact CE-CD2 4.3Å; M130-L132 HydrophobicContact CG-CD2 4.41Å
133D87.9Confident93.7Very high153 Ų15347.5 Ų47.582%0.81823%0.228SC*.THydrogen-bonded Turntrans-73.4-48.7-178.1-60.9-35.4000111.6N131 K135N131-D133 VanDerWaalsContact C-N 3.31Å; N131-D133 PolarHBondContact O-N 3.46Å; N131-D133 PolarHBondContact OD1-N 3.24Å; N131-D133 VanDerWaalsContact OD1-N 3.09Å; D133-K135 VanDerWaalsContact C-N 3.32Å
134T90.4Very high93.8Very high80 Ų8044.5 Ų44.549%0.49122%0.217SC..THydrogen-bonded Turntrans-84.1-12.3178.964.90000112.6N131 R136N131-T134 WeakPolarHBondContact CB-OG1 3.44Å; N131-T134 VanDerWaalsContact CG-OG1 3.29Å; N131-T134 PolarHBondContact OD1-N 2.9Å; N131-T134 PolarHBondContact OD1-OG1 3.05Å; N131-T134 VanDerWaalsContact OD1-OG1 3.13Å; T134-R136 PolarHBondContact O-N 2.72Å; T134-R136 VanDerWaalsContact O-N 3.14Å; T134-R136 WeakPolarHBondContact OG1-CB 3.25Å; T134-R136 PolarHBondContact OG1-N 2.88Å
135K89.2Confident93.6Very high125 Ų12546.9 Ų46.954%0.54323%0.234SC..THydrogen-bonded Turntrans56.618.5-170.8-54.5178.2-178.6178.10113.1R8 N131 D133R8-K135 VanDerWaalsContact CZ-O 3.27Å; R8-K135 PolarHBondContact NE-O 3.42Å; R8-K135 PolarHBondContact NH2-O 3.4Å; N131-K135 WeakPolarHBondContact O-CA 3.16Å; N131-K135 PolarHBondContact O-N 2.97Å; D133-K135 VanDerWaalsContact C-N 3.32Å
136R93Very high93.3Very high56 Ų5652.5 Ų52.521%0.21126%0.261CS..EExtended strand (participates in β ladder)trans-83147.8174.3-71.7-177.368.1122.9-11.7110.2Y9 E15 E128 M130 N131 T134Y9-R136 VanDerWaalsContact CD1-CZ 3.46Å; Y9-R136 HydrophobicContact CE1-CG 4.35Å; Y9-R136 HydrophobicContact CE2-CG 4.41Å; Y9-R136 WeakPolarHBondContact OH-CB 3.49Å; E15-R136 IonicContact OE1-CZ 3.08Å; E15-R136 IonicContact OE1-NH1 2.69Å; E15-R136 PolarHBondContact OE1-NH1 3.41Å; E15-R136 VanDerWaalsContact OE1-NH1 3.1Å; E15-R136 IonicContact OE1-NH2 3.31Å; E15-R136 PolarHBondContact OE1-NH2 3.24Å; E15-R136 IonicContact OE2-CZ 3.01Å; E15-R136 IonicContact OE2-NH1 2.97Å; E15-R136 IonicContact OE2-NH2 3.64Å; E15-R136 PolarHBondContact OE2-NH2 3.3Å; E128-R136 IonicContact OE1-CZ 3.97Å; E128-R136 IonicContact OE1-NE 3.89Å; E128-R136 IonicContact OE1-NH2 2.82Å; E128-R136 PolarHBondContact OE1-NH2 3.37Å; E128-R136 IonicContact OE2-CZ 3.29Å; E128-R136 IonicContact OE2-NE 3.97Å; E128-R136 PolarHBondContact OE2-NE 3.44Å; E128-R136 IonicContact OE2-NH2 2.75Å; E128-R136 PolarHBondContact OE2-NH2 3.5Å; M130-R136 CarbonylContact C-O 3.5Å; M130-R136 WeakPolarHBondContact CA-O 3.43Å; N131-R136 PolarHBondContact N-O 2.87Å; N131-R136 PolarHBondContact O-N 2.88Å; T134-R136 PolarHBondContact O-N 2.72Å; T134-R136 VanDerWaalsContact O-N 3.14Å; T134-R136 WeakPolarHBondContact OG1-CB 3.25Å; T134-R136 PolarHBondContact OG1-N 2.88Å
137G94Very high93.2Very high0 Ų057.5 Ų57.50%028%0.282CS..EExtended strand (participates in β ladder)trans168.1114.8-17900000106.2R8 Y9 P71 E128R8-G137 PolarHBondContact NH2-O 2.91Å; Y9-G137 VanDerWaalsContact OH-C 3.31Å; Y9-G137 WeakPolarHBondContact OH-CA 3.4Å; Y9-G137 PolarHBondContact OH-N 3.06Å; P71-G137 WeakPolarHBondContact CD-O 3.26Å; E128-G137 WeakPolarHBondContact O-CA 3.46Å
138I96.3Very high93.3Very high0 Ų055.2 Ų55.20%028%0.275CS..EExtended strand (participates in β ladder)trans-151.1148.9-174.3-166.3169.2000109.7L5 Y9 L12 I68 K69 L70 M126 R127 E128 V140L5-I138 HydrophobicContact CD1-CD1 4.49Å; Y9-I138 HydrophobicContact CD1-CD1 4.33Å; Y9-I138 HydrophobicContact CD2-CD1 4.26Å; Y9-I138 HydrophobicContact CE1-CB 4.13Å; Y9-I138 HydrophobicContact CE1-CD1 4.23Å; Y9-I138 HydrophobicContact CE1-CG2 3.7Å; Y9-I138 HydrophobicContact CE2-CB 3.9Å; Y9-I138 HydrophobicContact CE2-CD1 4.2Å; Y9-I138 HydrophobicContact CE2-CG2 4.38Å; Y9-I138 HydrophobicContact CG-CD1 4.37Å; Y9-I138 WeakPolarHBondContact OH-CB 3.49Å; Y9-I138 VanDerWaalsContact OH-CG2 3.27Å; Y9-I138 WeakPolarHBondContact OH-CG2 3.38Å; Y9-I138 PolarHBondContact OH-N 2.96Å; L12-I138 HydrophobicContact CD1-CD1 3.82Å; L12-I138 HydrophobicContact CD2-CD1 4.46Å; I68-I138 HydrophobicContact CG2-CD1 3.78Å; I68-I138 HydrophobicContact CG2-CG1 3.91Å; K69-I138 WeakPolarHBondContact O-CA 3.38Å; L70-I138 HydrophobicContact CD1-CD1 4.19Å; L70-I138 HydrophobicContact CD1-CG1 3.92Å; M126-I138 HydrophobicContact CE-CG2 3.83Å; M126-I138 HydrophobicContact CG-CG2 4.12Å; M126-I138 HydrophobicContact SD-CG2 4.23Å; R127-I138 CarbonylContact C-O 3.19Å; R127-I138 WeakPolarHBondContact CA-O 3.36Å; E128-I138 HydrophobicContact CB-CG2 4.11Å; E128-I138 HydrophobicContact CG-CG2 4.02Å; E128-I138 PolarHBondContact N-O 3.13Å; E128-I138 PolarHBondContact O-N 2.96Å; I138-V140 HydrophobicContact CD1-CG2 3.69Å; I138-V140 HydrophobicContact CG1-CG2 3.78Å
139I97.3Very high93.4Very high0 Ų055.1 Ų55.10%028%0.277CS..EExtended strand (participates in β ladder)trans-131.6127.3163.9-59.6172.2000106.5I68 K69 E104 V105 Y108 M126 R127 L141I68-I139 CarbonylContact C-O 3.49Å; I68-I139 WeakPolarHBondContact CA-O 3.27Å; K69-I139 HydrophobicContact CB-CB 4.37Å; K69-I139 PolarHBondContact N-O 3.3Å; K69-I139 PolarHBondContact O-N 3.12Å; E104-I139 HydrophobicContact CB-CD1 3.77Å; E104-I139 VanDerWaalsContact CD-CD1 3.47Å; E104-I139 HydrophobicContact CG-CD1 3.62Å; E104-I139 WeakPolarHBondContact OE2-CD1 3.26Å; V105-I139 HydrophobicContact CG2-CD1 3.98Å; V105-I139 HydrophobicContact CG2-CG1 3.88Å; Y108-I139 HydrophobicContact CD2-CG2 4.23Å; Y108-I139 HydrophobicContact CE2-CG2 4.07Å; M126-I139 CarbonylContact O-C 3.51Å; M126-I139 WeakPolarHBondContact O-CA 3.34Å; R127-I139 HydrophobicContact CB-CG1 4.48Å; I139-L141 HydrophobicContact CG2-CD1 4.37Å; I139-L141 HydrophobicContact CG2-CD2 3.58Å; I139-L141 HydrophobicContact CG2-CG 3.83Å
140V97.7Very high93.4Very high0 Ų053.7 Ų53.70%027%0.272CS..EExtended strand (participates in β ladder)trans-118.9114.7178.4-173.60000108.4L16 L66 V67 I68 C124 F125 M126 I138L16-V140 HydrophobicContact CD2-CB 4.23Å; L16-V140 HydrophobicContact CD2-CG1 3.89Å; L16-V140 HydrophobicContact CD2-CG2 4.13Å; L66-V140 HydrophobicContact CB-CG1 4.06Å; L66-V140 HydrophobicContact CD1-CG1 3.79Å; L66-V140 HydrophobicContact CG-CG1 4.43Å; V67-V140 CarbonylContact O-C 3.51Å; V67-V140 WeakPolarHBondContact O-CA 3.32Å; I68-V140 HydrophobicContact CG1-CG1 3.96Å; I68-V140 HydrophobicContact CG1-CG2 4.02Å; I68-V140 HydrophobicContact CG2-CG2 4.37Å; C124-V140 CarbonylContact C-O 3.54Å; C124-V140 WeakPolarHBondContact CA-O 3.34Å; F125-V140 PolarHBondContact N-O 3.43Å; M126-V140 HydrophobicContact CB-CB 3.95Å; M126-V140 HydrophobicContact CB-CG2 3.89Å; M126-V140 HydrophobicContact CG-CG2 4.46Å; M126-V140 PolarHBondContact O-N 2.84Å; M126-V140 HydrophobicContact SD-CG2 4.42Å; I138-V140 HydrophobicContact CD1-CG2 3.69Å; I138-V140 HydrophobicContact CG1-CG2 3.78Å
141L97Very high93.6Very high15 Ų1553.4 Ų53.48%0.07927%0.27CS..EExtended strand (participates in β ladder)trans-111.8155.9-174.7-56.6-179.5000111.2V67 Y108 A122 R123 C124 I139 D143V67-L141 PolarHBondContact N-O 2.97Å; V67-L141 PolarHBondContact O-N 2.81Å; Y108-L141 HydrophobicContact CE1-CD2 4.03Å; Y108-L141 HydrophobicContact CE2-CD2 3.85Å; A122-L141 HydrophobicContact CB-CB 4.4Å; R123-L141 CarbonylContact O-C 3.38Å; R123-L141 VanDerWaalsContact O-CA 3.29Å; R123-L141 WeakPolarHBondContact O-CA 3.32Å; C124-L141 HydrophobicContact CB-CD2 3.69Å; I139-L141 HydrophobicContact CG2-CD1 4.37Å; I139-L141 HydrophobicContact CG2-CD2 3.58Å; I139-L141 HydrophobicContact CG2-CG 3.83Å; L141-D143 PolarHBondContact O-N 3.02Å
142E95.6Very high93.7Very high50 Ų5055 Ų5523%0.23428%0.275CS..EExtended strand (participates in β ladder)trans-53.9131.5163.6-179.1178.5-15500111.5R123 F125 L144 K147R123-E142 HydrophobicContact CB-CB 4.12Å; R123-E142 PolarHBondContact O-N 3.25Å; F125-E142 HydrophobicContact CE2-CB 3.85Å; F125-E142 HydrophobicContact CZ-CB 4.35Å; E142-L144 HydrophobicContact CG-CD2 4.33Å; E142-L144 PolarHBondContact O-N 2.96Å; E142-L144 VanDerWaalsContact O-N 3.16Å; E142-K147 WeakPolarHBondContact OE1-CE 3.24Å; E142-K147 IonicContact OE1-NZ 2.75Å; E142-K147 PolarHBondContact OE1-NZ 3.42Å; E142-K147 WeakPolarHBondContact OE2-CE 3.34Å; E142-K147 IonicContact OE2-NZ 3.77Å; E142-K147 PolarHBondContact OE2-NZ 2.95Å
143D96.7Very high94.1Very high16 Ų1649.6 Ų49.69%0.08625%0.248CC..  trans-76.1100.6168.3-176.1-3.9000110.2K50 S65 V67 L141 S145K50-D143 WeakPolarHBondContact CE-OD2 3.29Å; K50-D143 IonicContact NZ-OD2 2.74Å; K50-D143 PolarHBondContact NZ-OD2 3.41Å; S65-D143 WeakPolarHBondContact CB-OD2 3.07Å; S65-D143 WeakPolarHBondContact O-CB 3.37Å; S65-D143 WeakPolarHBondContact OG-CB 3.43Å; S65-D143 PolarHBondContact OG-OD2 3.35Å; V67-D143 HydrophobicContact CG2-CB 4.24Å; L141-D143 PolarHBondContact O-N 3.02Å; D143-S145 PolarHBondContact O-N 2.83Å; D143-S145 WeakPolarHBondContact OD1-CB 3.15Å; D143-S145 PolarHBondContact OD1-N 3.22Å; D143-S145 PolarHBondContact OD1-OG 3.38Å; D143-S145 PolarHBondContact OD2-OG 3.39Å; D143-S145 VanDerWaalsContact OD2-OG 3.1Å
144L96.5Very high94.4Very high8 Ų842.3 Ų42.34%0.04221%0.209CC..G310 helixtrans-69.2-13.4179.8-64.8177.8000113.9A122 E142 Q146 K147 A148 F251 A266 I268A122-L144 HydrophobicContact CB-CD1 4.02Å; A122-L144 HydrophobicContact CB-CD2 4.32Å; A122-L144 HydrophobicContact CB-CG 4.16Å; E142-L144 HydrophobicContact CG-CD2 4.33Å; E142-L144 PolarHBondContact O-N 2.96Å; E142-L144 VanDerWaalsContact O-N 3.16Å; L144-Q146 PolarHBondContact O-N 2.64Å; L144-K147 PolarHBondContact O-N 2.87Å; L144-A148 HydrophobicContact CB-CB 4.42Å; L144-A148 PolarHBondContact O-N 3.45Å; L144-F251 HydrophobicContact CB-CD1 3.83Å; L144-F251 HydrophobicContact CB-CE1 3.81Å; L144-F251 HydrophobicContact CB-CG 4.27Å; L144-F251 HydrophobicContact CB-CZ 4.26Å; L144-F251 HydrophobicContact CD1-CB 4.14Å; L144-F251 HydrophobicContact CD1-CD1 4.13Å; L144-F251 HydrophobicContact CD1-CD2 3.66Å; L144-F251 HydrophobicContact CD1-CE1 4.46Å; L144-F251 HydrophobicContact CD1-CE2 4.04Å; L144-F251 HydrophobicContact CD1-CG 3.71Å; L144-F251 HydrophobicContact CD1-CZ 4.41Å; L144-A266 HydrophobicContact CD1-CB 3.59Å; L144-A266 HydrophobicContact CD2-CB 4.37Å; L144-I268 HydrophobicContact CD1-CG2 3.73Å
145S92.2Very high94.7Very high56 Ų5638.6 Ų38.639%0.39219%0.186SC..G310 helixtrans-59.9-19.4-173.965.50000114.4D143D143-S145 PolarHBondContact O-N 2.83Å; D143-S145 WeakPolarHBondContact OD1-CB 3.15Å; D143-S145 PolarHBondContact OD1-N 3.22Å; D143-S145 PolarHBondContact OD1-OG 3.38Å; D143-S145 PolarHBondContact OD2-OG 3.39Å; D143-S145 VanDerWaalsContact OD2-OG 3.1Å
146Q88.2Confident95Very high138 Ų13834.8 Ų34.865%0.64517%0.173SC*.G310 helixtrans-82.6-19.5178.8-58.7-52.8-62.300113.6L144L144-Q146 PolarHBondContact O-N 2.64Å
147K93.8Very high95.3Very high106 Ų10633.8 Ų33.846%0.46117%0.174SC..THydrogen-bonded Turntrans-132.4-9.7-172.366.5177.2-175.4-175.20114.8E142 L144 P254E142-K147 WeakPolarHBondContact OE1-CE 3.24Å; E142-K147 IonicContact OE1-NZ 2.75Å; E142-K147 PolarHBondContact OE1-NZ 3.42Å; E142-K147 WeakPolarHBondContact OE2-CE 3.34Å; E142-K147 IonicContact OE2-NZ 3.77Å; E142-K147 PolarHBondContact OE2-NZ 2.95Å; L144-K147 PolarHBondContact O-N 2.87Å; K147-P254 WeakPolarHBondContact O-CD 3.39Å
148A97.6Very high95.5Very high4 Ų433.8 Ų33.83%0.03317%0.174CC..  trans-143158.9-177.100000111.2L144 F251 F252 A265L144-A148 HydrophobicContact CB-CB 4.42Å; L144-A148 PolarHBondContact O-N 3.45Å; A148-F251 HydrophobicContact CB-CB 3.86Å; A148-F251 HydrophobicContact CB-CD1 3.76Å; A148-F251 HydrophobicContact CB-CG 4.25Å; A148-F252 CarbonylContact C-O 3.5Å; A148-F252 WeakPolarHBondContact CA-O 3.47Å; A148-F252 WeakPolarHBondContact CB-O 3.48Å; A148-A265 HydrophobicContact CB-CB 3.65Å
149V97.3Very high95.6Very high38 Ų3836.4 Ų36.423%0.2319%0.191CC..BIsolated β-bridgetrans-132.9147-174-700000109.4F252 P254 C260V149-F252 WeakPolarHBondContact CG2-O 3.04Å; V149-F252 PolarHBondContact N-O 3.08Å; V149-F252 PolarHBondContact O-N 3.09Å; V149-P254 HydrophobicContact CG1-CB 4.34Å; V149-P254 HydrophobicContact CG2-CB 4.24Å; V149-C260 HydrophobicContact CG2-CB 4.3Å
150Q95.5Very high95.6Very high73 Ų7338.1 Ų38.134%0.34120%0.201SC..  trans-105.7165.6174.8-55.3-170.2-93.200110.2N248 I250 F251 C260Q150-N248 VanDerWaalsContact NE2-C 3.26Å; Q150-N248 PolarHBondContact NE2-O 2.98Å; Q150-I250 WeakPolarHBondContact CG-O 3.18Å; Q150-I250 PolarHBondContact NE2-O 2.9Å; Q150-F251 HydrophobicContact CG-CD1 3.54Å; Q150-F251 HydrophobicContact CG-CD2 3.89Å; Q150-F251 HydrophobicContact CG-CE1 3.43Å; Q150-F251 VanDerWaalsContact CG-CE1 3.43Å; Q150-F251 HydrophobicContact CG-CE2 3.76Å; Q150-F251 HydrophobicContact CG-CG 3.78Å; Q150-F251 HydrophobicContact CG-CZ 3.55Å; Q150-C260 PolarHBondContact O-SG 3.29Å
151L94.9Very high95.7Very high24 Ų2439.3 Ų39.313%0.12621%0.213CC..  trans-63.8158.9164.5-69.7169.5000110.1D153 T156 L158 T247L151-D153 PolarHBondContact O-N 3.22Å; L151-T156 HydrophobicContact CD2-CG2 3.8Å; L151-L158 HydrophobicContact CD1-CD2 3.53Å; L151-L158 HydrophobicContact CD1-CG 4.06Å; L151-T247 HydrophobicContact CD1-CG2 3.57Å
152E91.8Very high95.8Very high100 Ų10038.9 Ų38.947%0.46721%0.211SC..SBendtrans-63.1-44-174.4-66-171.6179.100112.7K354 R363E152-K354 WeakPolarHBondContact O-CE 3.26Å; E152-K354 PolarHBondContact O-NZ 2.73Å; E152-R363 IonicContact OE2-CZ 3.58Å; E152-R363 IonicContact OE2-NH2 2.97Å; E152-R363 PolarHBondContact OE2-NH2 2.93Å
153D93.2Very high95.9Very high0 Ų036.5 Ų36.50%020%0.2CC..SBendtrans-167.4-175.9172.765.227.2000110.5L151 S155 T156 A352 K354 R363L151-D153 PolarHBondContact O-N 3.22Å; D153-S155 PolarHBondContact O-N 3.04Å; D153-S155 WeakPolarHBondContact OD1-CA 3.43Å; D153-S155 VanDerWaalsContact OD1-CB 3.26Å; D153-S155 WeakPolarHBondContact OD1-CB 3.26Å; D153-S155 PolarHBondContact OD1-N 3.03Å; D153-S155 PolarHBondContact OD1-OG 3.08Å; D153-T156 PolarHBondContact O-N 3Å; D153-A352 WeakPolarHBondContact CB-O 3.5Å; D153-K354 HydrophobicContact CB-CD 4.3Å; D153-K354 HydrophobicContact CB-CG 4.26Å; D153-K354 PolarHBondContact OD2-N 3.03Å; D153-R363 WeakPolarHBondContact OD2-CD 3.44Å; D153-R363 IonicContact OD2-CZ 3.13Å; D153-R363 VanDerWaalsContact OD2-CZ 3.29Å; D153-R363 IonicContact OD2-NE 2.84Å; D153-R363 IonicContact OD2-NH1 3.43Å; D153-R363 PolarHBondContact OD2-NH1 2.94Å
154L94.4Very high96Very high0 Ų037.7 Ų37.70%021%0.205CC..THydrogen-bonded Turntrans-60.4-23.6-179-172.662.1000114.3T156 W246 T247 W288 L348 A352 V353 M367 R370L154-T156 VanDerWaalsContact C-N 3.26Å; L154-T156 PolarHBondContact O-N 3.07Å; L154-W246 HydrophobicContact CD1-CE3 3.93Å; L154-W246 HydrophobicContact CD2-CE3 3.9Å; L154-W246 HydrophobicContact CD2-CZ3 3.94Å; L154-W246 HydrophobicContact CG-CE3 4.39Å; L154-T247 WeakPolarHBondContact CA-OG1 3.11Å; L154-T247 HydrophobicContact CD1-CG2 4.41Å; L154-W288 HydrophobicContact CD1-CB 4.42Å; L154-L348 HydrophobicContact CD2-CD1 3.99Å; L154-L348 HydrophobicContact CD2-CD2 4.15Å; L154-L348 HydrophobicContact CD2-CG 4.47Å; L154-A352 HydrophobicContact CB-CB 4.37Å; L154-A352 HydrophobicContact CD2-CB 4.24Å; L154-A352 PolarHBondContact N-O 3.42Å; L154-V353 HydrophobicContact CB-CG2 4.21Å; L154-M367 HydrophobicContact CD2-CE 3.69Å; L154-M367 HydrophobicContact CD2-SD 4.43Å; L154-M367 HydrophobicContact CG-CE 3.89Å; L154-M367 HydrophobicContact CG-SD 4.04Å; L154-R370 PolarHBondContact O-NH1 3.42Å
155S96.2Very high96.1Very high2 Ų238.4 Ų38.41%0.01421%0.211CC..THydrogen-bonded Turntrans-71.6-23-179.175.40000113.1D153 R363 R370D153-S155 PolarHBondContact O-N 3.04Å; D153-S155 WeakPolarHBondContact OD1-CA 3.43Å; D153-S155 VanDerWaalsContact OD1-CB 3.26Å; D153-S155 WeakPolarHBondContact OD1-CB 3.26Å; D153-S155 PolarHBondContact OD1-N 3.03Å; D153-S155 PolarHBondContact OD1-OG 3.08Å; S155-R363 WeakPolarHBondContact OG-CB 3.34Å; S155-R363 VanDerWaalsContact OG-CG 3.28Å; S155-R363 WeakPolarHBondContact OG-CG 3.35Å; S155-R370 PolarHBondContact O-NH2 3.13Å
156T96.7Very high96.4Very high44 Ų4435.8 Ų35.827%0.2719%0.192SC..SBendtrans-77.3124.4179.2-54.10000109.9L151 D153 L154L151-T156 HydrophobicContact CD2-CG2 3.8Å; D153-T156 PolarHBondContact O-N 3Å; L154-T156 VanDerWaalsContact C-N 3.26Å; L154-T156 PolarHBondContact O-N 3.07Å
157S97.8Very high96.9Very high35 Ų3529.2 Ų29.225%0.24516%0.162CC..PPolyproline II helixtrans-70.5136.7178.7-1740000111.2C289 S291S157-C289 CarbonylContact C-O 3.58Å; S157-C289 WeakPolarHBondContact CA-O 3.5Å; S157-S291 PolarHBondContact OG-N 2.98Å
158L98.5Very high97.1Very high0 Ų025.9 Ų25.90%015%0.151CC..PPolyproline II helixtrans-59.7145.3160.5-71.3170.4000110.1L151 Q162 L163 I166 T247 F252 C289 I294L151-L158 HydrophobicContact CD1-CD2 3.53Å; L151-L158 HydrophobicContact CD1-CG 4.06Å; L158-Q162 HydrophobicContact CB-CB 4.45Å; L158-Q162 HydrophobicContact CD2-CB 3.96Å; L158-L163 HydrophobicContact CB-CD2 4.09Å; L158-L163 HydrophobicContact CB-CG 4Å; L158-L163 HydrophobicContact CD1-CD2 3.67Å; L158-L163 HydrophobicContact CD1-CG 4.39Å; L158-I166 HydrophobicContact CD1-CD1 3.78Å; L158-I166 HydrophobicContact CD2-CD1 4.19Å; L158-T247 HydrophobicContact CG-CG2 4.41Å; L158-F252 HydrophobicContact CD2-CE2 3.76Å; L158-F252 HydrophobicContact CD2-CZ 3.56Å; L158-C289 HydrophobicContact CD1-CB 3.35Å; L158-C289 HydrophobicContact CG-CB 3.85Å; L158-C289 PolarHBondContact N-O 2.77Å; L158-I294 VanDerWaalsContact O-CD1 3.27Å; L158-I294 WeakPolarHBondContact O-CD1 3.45Å
159T98.2Very high97.2Very high55 Ų5525.9 Ų25.934%0.33715%0.152SC..PPolyproline II helixtrans-78.6163.2169.571.60000110.6G161 Q162 L163 D262T159-G161 VanDerWaalsContact C-N 3.3Å; T159-G161 PolarHBondContact O-N 3.32Å; T159-Q162 PolarHBondContact O-N 3.14Å; T159-Q162 WeakPolarHBondContact OG1-CB 3.37Å; T159-Q162 WeakPolarHBondContact OG1-CG 3.46Å; T159-Q162 PolarHBondContact OG1-N 3.43Å; T159-L163 VanDerWaalsContact O-CG 3.32Å; T159-L163 WeakPolarHBondContact O-CG 3.4Å; T159-L163 PolarHBondContact O-N 2.8Å; T159-D262 PolarHBondContact OG1-OD1 3.14Å
160V98.6Very high97.2Very high37 Ų3724.1 Ų24.122%0.22414%0.141CC..Hα-helixtrans-59.6-41.8173.4-178.90000111.1Q162 L163 H164 I294 H298V160-Q162 PolarHBondContact O-N 3.15Å; V160-L163 PolarHBondContact O-N 3.25Å; V160-H164 PolarHBondContact O-CD2 2.98Å; V160-H164 PolarHBondContact O-N 3.31Å; V160-I294 HydrophobicContact CG2-CG1 4.42Å; V160-I294 HydrophobicContact CG2-CG2 4.06Å; V160-H298 HydrophobicContact CG1-CB 4.45Å; V160-H298 HydrophobicContact CG2-CB 4.41Å
161G98.6Very high97.3Very high25 Ų2520.7 Ų20.726%0.25813%0.125SC..Hα-helixtrans-62.3-4317700000112.9T159 H164 S165T159-G161 VanDerWaalsContact C-N 3.3Å; T159-G161 PolarHBondContact O-N 3.32Å; G161-H164 PolarHBondContact O-N 2.82Å; G161-S165 PolarHBondContact O-N 3.29Å
162Q98.7Very high97.5Very high5 Ų521.4 Ų21.42%0.02313%0.129CC..Hα-helixtrans-60.9-45.6174.2-72.7172.1-23.200111.6L158 T159 V160 H164 S165 I166 F252 S261L158-Q162 HydrophobicContact CB-CB 4.45Å; L158-Q162 HydrophobicContact CD2-CB 3.96Å; T159-Q162 PolarHBondContact O-N 3.14Å; T159-Q162 WeakPolarHBondContact OG1-CB 3.37Å; T159-Q162 WeakPolarHBondContact OG1-CG 3.46Å; T159-Q162 PolarHBondContact OG1-N 3.43Å; V160-Q162 PolarHBondContact O-N 3.15Å; Q162-H164 VanDerWaalsContact C-N 3.33Å; Q162-H164 PolarHBondContact O-N 2.84Å; Q162-S165 PolarHBondContact O-N 3.23Å; Q162-S165 VanDerWaalsContact O-N 3.14Å; Q162-S165 PolarHBondContact O-OG 3.02Å; Q162-I166 WeakPolarHBondContact O-CG1 3.25Å; Q162-I166 PolarHBondContact O-N 2.9Å; Q162-F252 HydrophobicContact CB-CD1 4.49Å; Q162-F252 HydrophobicContact CB-CE1 3.61Å; Q162-F252 HydrophobicContact CB-CZ 3.69Å; Q162-F252 HydrophobicContact CG-CD1 3.9Å; Q162-F252 HydrophobicContact CG-CE1 3.49Å; Q162-F252 VanDerWaalsContact CG-CE1 3.49Å; Q162-F252 HydrophobicContact CG-CE2 4.33Å; Q162-F252 HydrophobicContact CG-CG 4.49Å; Q162-F252 HydrophobicContact CG-CZ 3.73Å; Q162-S261 PolarHBondContact NE2-O 2.94Å; Q162-S261 VanDerWaalsContact NE2-O 3.09Å
163L98.7Very high97.8Very high0 Ų016.7 Ų16.70%011%0.107CC..Hα-helixtrans-59.5-42176.6-69.1165.4000111.8L158 T159 V160 S165 I166 A167 I285 L286 A290 I294 I302L158-L163 HydrophobicContact CB-CD2 4.09Å; L158-L163 HydrophobicContact CB-CG 4Å; L158-L163 HydrophobicContact CD1-CD2 3.67Å; L158-L163 HydrophobicContact CD1-CG 4.39Å; T159-L163 VanDerWaalsContact O-CG 3.32Å; T159-L163 WeakPolarHBondContact O-CG 3.4Å; T159-L163 PolarHBondContact O-N 2.8Å; V160-L163 PolarHBondContact O-N 3.25Å; L163-S165 PolarHBondContact O-N 3.12Å; L163-I166 PolarHBondContact O-N 3.05Å; L163-A167 WeakPolarHBondContact O-CB 3.42Å; L163-A167 PolarHBondContact O-N 3.02Å; L163-I285 HydrophobicContact CD2-CD1 3.52Å; L163-L286 HydrophobicContact CD1-CD2 4.38Å; L163-L286 HydrophobicContact CD2-CD2 4.31Å; L163-A290 HydrophobicContact CD1-CB 4.06Å; L163-I294 HydrophobicContact CD1-CG2 3.55Å; L163-I302 HydrophobicContact CB-CD1 3.74Å; L163-I302 HydrophobicContact CB-CG1 4.38Å; L163-I302 HydrophobicContact CD1-CD1 3.71Å; L163-I302 HydrophobicContact CG-CD1 4.31Å
164H98.7Very high98Very high41 Ų4116.7 Ų16.719%0.1911%0.107CC..Hα-helixtrans-62.5-40174.1-78.6-62.2000113V160 G161 Q162 S168 E301V160-H164 PolarHBondContact O-CD2 2.98Å; V160-H164 PolarHBondContact O-N 3.31Å; G161-H164 PolarHBondContact O-N 2.82Å; Q162-H164 VanDerWaalsContact C-N 3.33Å; Q162-H164 PolarHBondContact O-N 2.84Å; H164-S168 WeakPolarHBondContact O-CB 3.31Å; H164-S168 PolarHBondContact O-N 2.89Å; H164-S168 PolarHBondContact O-OG 2.94Å; H164-E301 IonicContact NE2-OE1 3.48Å
165S98.6Very high98Very high24 Ų2417.2 Ų17.217%0.16811%0.111CC..Hα-helixtrans-66.1-40.2178.377.60000112.2G161 Q162 L163 S168 A169 D262 L264G161-S165 PolarHBondContact O-N 3.29Å; Q162-S165 PolarHBondContact O-N 3.23Å; Q162-S165 VanDerWaalsContact O-N 3.14Å; Q162-S165 PolarHBondContact O-OG 3.02Å; L163-S165 PolarHBondContact O-N 3.12Å; S165-S168 PolarHBondContact O-N 3.18Å; S165-A169 PolarHBondContact O-N 3.26Å; S165-A169 VanDerWaalsContact O-N 3.13Å; S165-D262 WeakPolarHBondContact CB-O 3.41Å; S165-D262 PolarHBondContact OG-O 3.08Å; S165-D262 VanDerWaalsContact OG-O 3.12Å; S165-L264 PolarHBondContact OG-N 3.49Å
166I98.7Very high98.1Very high0 Ų018.9 Ų18.90%012%0.117CC..Hα-helixtrans-67.1-48.5175.5-64.2158.2000110.1L158 Q162 L163 S168 A169 L170 L245 I250 F252 L264 I285L158-I166 HydrophobicContact CD1-CD1 3.78Å; L158-I166 HydrophobicContact CD2-CD1 4.19Å; Q162-I166 WeakPolarHBondContact O-CG1 3.25Å; Q162-I166 PolarHBondContact O-N 2.9Å; L163-I166 PolarHBondContact O-N 3.05Å; I166-S168 PolarHBondContact O-N 3.02Å; I166-A169 PolarHBondContact O-N 3.12Å; I166-A169 VanDerWaalsContact O-N 3.11Å; I166-L170 HydrophobicContact CG2-CD1 4.22Å; I166-L170 HydrophobicContact CG2-CG 4.45Å; I166-L170 PolarHBondContact O-N 3.32Å; I166-L245 HydrophobicContact CG2-CD2 4.02Å; I166-I250 HydrophobicContact CD1-CD1 3.83Å; I166-I250 HydrophobicContact CD1-CG2 4.39Å; I166-I250 HydrophobicContact CG1-CD1 4.41Å; I166-I250 HydrophobicContact CG1-CG2 4.42Å; I166-F252 HydrophobicContact CD1-CE1 4.46Å; I166-F252 HydrophobicContact CD1-CZ 3.99Å; I166-F252 HydrophobicContact CG1-CE1 4.49Å; I166-F252 HydrophobicContact CG1-CZ 4.42Å; I166-L264 HydrophobicContact CG1-CD1 4.36Å; I166-I285 HydrophobicContact CG2-CG2 4.3Å
167A98.4Very high98Very high1 Ų117.1 Ų17.11%0.00811%0.106CC..Hα-helixtrans-58-39.5177.700000111.5L163 L170 A171 L282 I302 Y306L163-A167 WeakPolarHBondContact O-CB 3.42Å; L163-A167 PolarHBondContact O-N 3.02Å; A167-L170 PolarHBondContact O-N 3.17Å; A167-A171 PolarHBondContact O-N 3.16Å; A167-L282 HydrophobicContact CB-CD2 4.19Å; A167-I302 HydrophobicContact CB-CG2 3.9Å; A167-Y306 WeakPolarHBondContact O-CD2 3.24Å
168S98.6Very high97.8Very high35 Ų3517.3 Ų17.325%0.24510%0.104CC..Hα-helixtrans-63.9-43.3175.9-61.30000112.2H164 S165 I166 A171 D172 R309H164-S168 WeakPolarHBondContact O-CB 3.31Å; H164-S168 PolarHBondContact O-N 2.89Å; H164-S168 PolarHBondContact O-OG 2.94Å; S165-S168 PolarHBondContact O-N 3.18Å; I166-S168 PolarHBondContact O-N 3.02Å; S168-A171 WeakPolarHBondContact O-CB 3.38Å; S168-A171 PolarHBondContact O-N 2.66Å; S168-D172 PolarHBondContact O-N 3.26Å; S168-R309 WeakPolarHBondContact O-CD 3.24Å; S168-R309 PolarHBondContact O-NE 3.42Å
169A98.6Very high97.6Very high5 Ų519.3 Ų19.34%0.04112%0.116CC..Hα-helixtrans-66.8-35.9177.900000112.7V119 S165 I166 D172 L173 L264V119-A169 HydrophobicContact CG2-CB 4.22Å; S165-A169 PolarHBondContact O-N 3.26Å; S165-A169 VanDerWaalsContact O-N 3.13Å; I166-A169 PolarHBondContact O-N 3.12Å; I166-A169 VanDerWaalsContact O-N 3.11Å; A169-D172 PolarHBondContact O-N 3.48Å; A169-L173 PolarHBondContact O-N 3.47Å; A169-L264 HydrophobicContact CB-CD2 3.44Å; A169-L264 VanDerWaalsContact CB-CD2 3.44Å
170L98.4Very high97.5Very high1 Ų118.4 Ų18.41%0.00511%0.111CC..Hα-helixtrans-67.2-38.3172.1-70.8177.2000111.9I166 A167 D172 L173 H174 L245 D281 L282 Y306I166-L170 HydrophobicContact CG2-CD1 4.22Å; I166-L170 HydrophobicContact CG2-CG 4.45Å; I166-L170 PolarHBondContact O-N 3.32Å; A167-L170 PolarHBondContact O-N 3.17Å; L170-D172 VanDerWaalsContact C-N 3.29Å; L170-D172 PolarHBondContact O-N 3.03Å; L170-L173 PolarHBondContact O-N 3.42Å; L170-H174 VanDerWaalsContact O-CB 3.29Å; L170-H174 WeakPolarHBondContact O-CB 3.23Å; L170-H174 PolarHBondContact O-N 2.9Å; L170-H174 PolarHBondContact O-ND1 2.95Å; L170-L245 HydrophobicContact CD1-CD2 3.85Å; L170-L245 HydrophobicContact CD2-CD2 3.93Å; L170-L245 HydrophobicContact CG-CD2 4.22Å; L170-D281 HydrophobicContact CD1-CB 3.96Å; L170-D281 HydrophobicContact CD2-CB 4.22Å; L170-L282 HydrophobicContact CD1-CD2 3.76Å; L170-L282 HydrophobicContact CD1-CG 3.96Å; L170-Y306 HydrophobicContact CB-CD2 4.41Å; L170-Y306 HydrophobicContact CB-CE2 4.14Å
171A97.9Very high97.3Very high0 Ų026.2 Ų26.20%015%0.145CC..Hα-helixtrans-62.9-38.4174.800000111.4A167 S168 S175 Y306 R309 L310A167-A171 PolarHBondContact O-N 3.16Å; S168-A171 WeakPolarHBondContact O-CB 3.38Å; S168-A171 PolarHBondContact O-N 2.66Å; A171-S175 WeakPolarHBondContact O-CB 3.47Å; A171-S175 PolarHBondContact O-N 2.58Å; A171-S175 PolarHBondContact O-OG 2.88Å; A171-S175 VanDerWaalsContact O-OG 3.13Å; A171-Y306 HydrophobicContact CB-CD2 3.72Å; A171-Y306 HydrophobicContact CB-CE2 3.83Å; A171-Y306 HydrophobicContact CB-CG 4.48Å; A171-Y306 WeakPolarHBondContact CB-O 3.36Å; A171-R309 HydrophobicContact CB-CB 3.9Å; A171-R309 HydrophobicContact CB-CG 3.95Å; A171-L310 HydrophobicContact CB-CB 4.41Å
172D98.3Very high97.1Very high40 Ų4028.4 Ų28.421%0.21415%0.15CC..Hα-helixtrans-62.2-52.1173.7-64.5-20.2000111P118 S168 A169 L170 H174 S175 W176 R309 N313P118-D172 CarbonylContact O-C 3.56Å; P118-D172 VanDerWaalsContact O-CB 3.29Å; P118-D172 WeakPolarHBondContact O-CB 3.44Å; S168-D172 PolarHBondContact O-N 3.26Å; A169-D172 PolarHBondContact O-N 3.48Å; L170-D172 VanDerWaalsContact C-N 3.29Å; L170-D172 PolarHBondContact O-N 3.03Å; D172-H174 PolarHBondContact O-N 3.5Å; D172-S175 PolarHBondContact O-N 3.09Å; D172-S175 PolarHBondContact O-OG 3.02Å; D172-W176 PolarHBondContact O-N 3.2Å; D172-R309 VanDerWaalsContact CG-NH2 3.34Å; D172-R309 IonicContact OD1-CZ 3.27Å; D172-R309 VanDerWaalsContact OD1-CZ 3.31Å; D172-R309 IonicContact OD1-NE 3.7Å; D172-R309 PolarHBondContact OD1-NE 2.97Å; D172-R309 IonicContact OD1-NH2 2.72Å; D172-R309 PolarHBondContact OD1-NH2 3.36Å; D172-R309 VanDerWaalsContact OD1-NH2 3.08Å; D172-R309 IonicContact OD2-CZ 2.85Å; D172-R309 IonicContact OD2-NE 2.92Å; D172-R309 PolarHBondContact OD2-NE 3.47Å; D172-R309 IonicContact OD2-NH2 3.1Å; D172-R309 PolarHBondContact OD2-NH2 3.27Å; D172-N313 PolarHBondContact OD1-ND2 3.27Å
173L98.2Very high96.9Very high0 Ų032.9 Ų32.90%017%0.174CC..Hα-helixtrans-54.9-51.3176177.960.4000112.4F111 P118 V119 A169 L170 S175 W176 C177 L240 W270F111-L173 HydrophobicContact CE1-CD1 4.25Å; F111-L173 HydrophobicContact CZ-CD1 4.06Å; P118-L173 HydrophobicContact CB-CD1 4.41Å; P118-L173 HydrophobicContact CG-CD1 3.69Å; P118-L173 PolarHBondContact O-N 3.39Å; V119-L173 HydrophobicContact CB-CB 4.31Å; V119-L173 HydrophobicContact CG1-CD1 4.43Å; A169-L173 PolarHBondContact O-N 3.47Å; L170-L173 PolarHBondContact O-N 3.42Å; L173-S175 PolarHBondContact O-N 3.01Å; L173-W176 HydrophobicContact CD1-CE3 4.36Å; L173-W176 WeakPolarHBondContact O-CB 3.28Å; L173-W176 PolarHBondContact O-N 3.2Å; L173-C177 PolarHBondContact O-N 3.14Å; L173-C177 PolarHBondContact O-SG 3.38Å; L173-C177 VanDerWaalsContact O-SG 3.36Å; L173-L240 HydrophobicContact CD1-CD2 4.39Å; L173-W270 HydrophobicContact CD2-CH2 4.04Å; L173-W270 HydrophobicContact CD2-CZ3 4.17Å
174H96.6Very high96.7Very high1 Ų133.3 Ų33.31%0.00518%0.176CC..Hα-helixtrans-68.5-36.9-176.1-63.5164.7000111.7L170 D172 W176 C177 I178 V239 I278 Y306 L310L170-H174 VanDerWaalsContact O-CB 3.29Å; L170-H174 WeakPolarHBondContact O-CB 3.23Å; L170-H174 PolarHBondContact O-N 2.9Å; L170-H174 PolarHBondContact O-ND1 2.95Å; D172-H174 PolarHBondContact O-N 3.5Å; H174-W176 VanDerWaalsContact C-N 3.3Å; H174-W176 PolarHBondContact O-N 3.02Å; H174-C177 PolarHBondContact O-N 3.22Å; H174-I178 WeakPolarHBondContact O-CB 3.43Å; H174-I178 WeakPolarHBondContact O-CD1 3.49Å; H174-I178 WeakPolarHBondContact O-CG1 3.49Å; H174-I178 PolarHBondContact O-N 2.82Å; H174-V239 HydrophobicContact CB-CG1 4.04Å; H174-I278 HydrophobicContact CB-CG2 4.39Å; H174-I278 PolarHBondContact CE1-O 3.23Å; H174-Y306 AromaticContact ND1-CE2 3.6Å; H174-Y306 AromaticContact ND1-CZ 3.56Å; H174-Y306 PolarHBondContact ND1-OH 3.26Å; H174-L310 HydrophobicContact CB-CD1 4.04Å
175S96.1Very high96.5Very high11 Ų1135.7 Ų35.78%0.07719%0.185CC..Hα-helixtrans-61.3-40.3173.670.30000111.6A171 D172 L173 I178 T179 N313A171-S175 WeakPolarHBondContact O-CB 3.47Å; A171-S175 PolarHBondContact O-N 2.58Å; A171-S175 PolarHBondContact O-OG 2.88Å; A171-S175 VanDerWaalsContact O-OG 3.13Å; D172-S175 PolarHBondContact O-N 3.09Å; D172-S175 PolarHBondContact O-OG 3.02Å; L173-S175 PolarHBondContact O-N 3.01Å; S175-I178 PolarHBondContact O-N 3.41Å; S175-T179 WeakPolarHBondContact O-CB 3.26Å; S175-T179 WeakPolarHBondContact O-CG2 3.48Å; S175-T179 PolarHBondContact O-N 2.77Å; S175-T179 VanDerWaalsContact O-N 3.08Å; S175-T179 PolarHBondContact O-OG1 2.93Å; S175-N313 VanDerWaalsContact CB-CB 3.4Å; S175-N313 WeakPolarHBondContact OG-CB 3.32Å; S175-N313 PolarHBondContact OG-ND2 3.13Å
176W96.8Very high96.3Very high36 Ų3638 Ų3814%0.13620%0.202CC..Hα-helixtrans-63.7-48.7172.8173.186000111.4I110 L114 P118 D172 L173 H174 I178 T179 T180 I182 W184I110-W176 HydrophobicContact CG2-CH2 3.61Å; I110-W176 HydrophobicContact CG2-CZ2 4.09Å; L114-W176 HydrophobicContact CD1-CZ2 3.83Å; L114-W176 HydrophobicContact CD2-CZ2 4.24Å; P118-W176 HydrophobicContact CB-CB 3.55Å; P118-W176 HydrophobicContact CB-CD2 4.11Å; P118-W176 HydrophobicContact CB-CE3 4.49Å; P118-W176 HydrophobicContact CB-CG 3.68Å; P118-W176 HydrophobicContact CG-CB 4.26Å; P118-W176 HydrophobicContact CG-CD2 3.87Å; P118-W176 HydrophobicContact CG-CE3 3.94Å; P118-W176 HydrophobicContact CG-CG 4Å; D172-W176 PolarHBondContact O-N 3.2Å; L173-W176 HydrophobicContact CD1-CE3 4.36Å; L173-W176 WeakPolarHBondContact O-CB 3.28Å; L173-W176 PolarHBondContact O-N 3.2Å; H174-W176 VanDerWaalsContact C-N 3.3Å; H174-W176 PolarHBondContact O-N 3.02Å; W176-I178 PolarHBondContact O-N 3.45Å; W176-I178 VanDerWaalsContact O-N 3.14Å; W176-T179 PolarHBondContact O-N 3.03Å; W176-T179 VanDerWaalsContact O-N 3.16Å; W176-T180 HydrophobicContact CD2-CG2 4.19Å; W176-T180 HydrophobicContact CH2-CG2 4.43Å; W176-T180 HydrophobicContact CZ2-CG2 4.06Å; W176-T180 WeakPolarHBondContact O-CB 3.41Å; W176-T180 WeakPolarHBondContact O-CG2 3.49Å; W176-T180 PolarHBondContact O-N 3.41Å; W176-I182 HydrophobicContact CZ2-CD1 4.46Å; W176-W184 HydrophobicContact CH2-CB 3.72Å; W176-W184 HydrophobicContact CH2-CG 4.05Å; W176-W184 HydrophobicContact CZ3-CB 4.14Å; W176-W184 HydrophobicContact CZ3-CG 4.06Å
177C96Very high96Very high7 Ų740.4 Ų40.45%0.04722%0.217CC..Hα-helixtrans-55.1-35.1178.2-720000113.2L173 H174 W184 V239 L240L173-C177 PolarHBondContact O-N 3.14Å; L173-C177 PolarHBondContact O-SG 3.38Å; L173-C177 VanDerWaalsContact O-SG 3.36Å; H174-C177 PolarHBondContact O-N 3.22Å; C177-W184 HydrophobicContact CB-CH2 4.45Å; C177-W184 HydrophobicContact CB-CZ2 3.69Å; C177-W184 PolarHBondContact O-NE1 2.65Å; C177-V239 HydrophobicContact CB-CB 4.13Å; C177-V239 HydrophobicContact CB-CG1 4.08Å; C177-L240 VanDerWaalsContact SG-CB 3.56Å; C177-L240 PolarHBondContact SG-N 3.15Å; C177-L240 VanDerWaalsContact SG-N 3.41Å
178I93.4Very high95.7Very high39 Ų3940.3 Ų40.320%0.222%0.216CC..Hα-helixtrans-81.4-32.8-176.9-70.3166.8000112H174 S175 W176 V239 L310 V314 V318H174-I178 WeakPolarHBondContact O-CB 3.43Å; H174-I178 WeakPolarHBondContact O-CD1 3.49Å; H174-I178 WeakPolarHBondContact O-CG1 3.49Å; H174-I178 PolarHBondContact O-N 2.82Å; S175-I178 PolarHBondContact O-N 3.41Å; W176-I178 PolarHBondContact O-N 3.45Å; W176-I178 VanDerWaalsContact O-N 3.14Å; I178-V239 HydrophobicContact CD1-CG1 4.31Å; I178-V239 HydrophobicContact CG1-CG1 4.16Å; I178-L310 HydrophobicContact CD1-CD1 4.2Å; I178-V314 HydrophobicContact CG2-CG2 4.37Å; I178-V318 HydrophobicContact CG2-CB 4.32Å; I178-V318 HydrophobicContact CG2-CG1 4.08Å; I178-V318 HydrophobicContact CG2-CG2 3.33Å
179T94.5Very high95.4Very high43 Ų4341.4 Ų41.426%0.26423%0.227SC..Hα-helixtrans-110-14.7-168.960.70000114.9S175 W176 V314 K317S175-T179 WeakPolarHBondContact O-CB 3.26Å; S175-T179 WeakPolarHBondContact O-CG2 3.48Å; S175-T179 PolarHBondContact O-N 2.77Å; S175-T179 VanDerWaalsContact O-N 3.08Å; S175-T179 PolarHBondContact O-OG1 2.93Å; W176-T179 PolarHBondContact O-N 3.03Å; W176-T179 VanDerWaalsContact O-N 3.16Å; T179-V314 HydrophobicContact CG2-CB 4.47Å; T179-V314 HydrophobicContact CG2-CG1 4.48Å; T179-V314 HydrophobicContact CG2-CG2 4.06Å; T179-K317 HydrophobicContact CG2-CB 4.28Å; T179-K317 HydrophobicContact CG2-CD 4.06Å
180T94.8Very high94.9Very high36 Ų3645.5 Ų45.522%0.22125%0.249CC..  trans-69.6146.1179.3-170.20000112.2W176 I182W176-T180 HydrophobicContact CD2-CG2 4.19Å; W176-T180 HydrophobicContact CH2-CG2 4.43Å; W176-T180 HydrophobicContact CZ2-CG2 4.06Å; W176-T180 WeakPolarHBondContact O-CB 3.41Å; W176-T180 WeakPolarHBondContact O-CG2 3.49Å; W176-T180 PolarHBondContact O-N 3.41Å; T180-I182 VanDerWaalsContact C-N 3.32Å; T180-I182 HydrophobicContact CG2-CB 4.4Å; T180-I182 WeakPolarHBondContact OG1-CB 3.23Å; T180-I182 PolarHBondContact OG1-N 3.44Å
181E94.3Very high94.4Very high201 Ų20145.7 Ų45.794%0.93925%0.25SS*.  trans-84.9-9.5169.9-62.5-176166.900112.4D183E181-D183 PolarHBondContact O-N 2.89Å
182I94.6Very high93.9Very high71 Ų7146.5 Ų46.536%0.36425%0.254SS..SBendtrans-70.7128.2179.3-64169.3000109.5L114 W176 T180 W184L114-I182 HydrophobicContact CD2-CD1 3.29Å; W176-I182 HydrophobicContact CZ2-CD1 4.46Å; T180-I182 VanDerWaalsContact C-N 3.32Å; T180-I182 HydrophobicContact CG2-CB 4.4Å; T180-I182 WeakPolarHBondContact OG1-CB 3.23Å; T180-I182 PolarHBondContact OG1-N 3.44Å; I182-W184 VanDerWaalsContact C-N 3.3Å; I182-W184 PolarHBondContact O-N 3.25Å
183D94.7Very high93.3Very high99 Ų9949.4 Ų49.453%0.52927%0.267SS..  trans-73.485.3171.8-177.411000111.1E181 K185 S186E181-D183 PolarHBondContact O-N 2.89Å; D183-K185 PolarHBondContact OD1-N 2.81Å; D183-S186 VanDerWaalsContact CG-OG 3.27Å; D183-S186 PolarHBondContact OD1-N 3.36Å; D183-S186 VanDerWaalsContact OD1-N 3.08Å; D183-S186 PolarHBondContact OD1-OG 3.36Å; D183-S186 WeakPolarHBondContact OD2-CB 3.27Å; D183-S186 PolarHBondContact OD2-OG 3.48Å
184W94.7Very high92.7Very high9 Ų953 Ų533%0.03428%0.281CS..  trans-84.3-12.5175.564.6-95.3000113I110 W176 C177 I182 F188 T238 V239 L240 T275I110-W184 HydrophobicContact CD1-CB 4.28Å; W176-W184 HydrophobicContact CH2-CB 3.72Å; W176-W184 HydrophobicContact CH2-CG 4.05Å; W176-W184 HydrophobicContact CZ3-CB 4.14Å; W176-W184 HydrophobicContact CZ3-CG 4.06Å; C177-W184 HydrophobicContact CB-CH2 4.45Å; C177-W184 HydrophobicContact CB-CZ2 3.69Å; C177-W184 PolarHBondContact O-NE1 2.65Å; I182-W184 VanDerWaalsContact C-N 3.3Å; I182-W184 PolarHBondContact O-N 3.25Å; W184-F188 WeakPolarHBondContact O-CD2 3.28Å; W184-F188 WeakPolarHBondContact O-CE2 3.34Å; W184-T238 HydrophobicContact CH2-CG2 4.35Å; W184-T238 WeakPolarHBondContact CZ2-O 3.41Å; W184-V239 VanDerWaalsContact CH2-CA 3.44Å; W184-L240 HydrophobicContact CE3-CB 4.17Å; W184-L240 HydrophobicContact CE3-CD1 3.96Å; W184-L240 HydrophobicContact CZ3-CB 3.97Å; W184-L240 HydrophobicContact CZ3-CD1 4.06Å; W184-T275 HydrophobicContact CZ3-CG2 3.98Å
185K94Very high91.9Very high91 Ų9155.4 Ų55.440%0.39629%0.292SS..SBendtrans-85.2-45.3-173.4-69.4179-176.7174.60112.3D183 P187 F188 T275D183-K185 PolarHBondContact OD1-N 2.81Å; K185-P187 VanDerWaalsContact C-N 3.33Å; K185-F188 PolarHBondContact O-N 2.89Å; K185-T275 HydrophobicContact CG-CG2 4.42Å
186S94Very high91.2Very high73 Ų7361.7 Ų61.751%0.5132%0.318SS..G310 helixtrans-55.8-37.8-175.8-630000114.5D183 F188 A189D183-S186 VanDerWaalsContact CG-OG 3.27Å; D183-S186 PolarHBondContact OD1-N 3.36Å; D183-S186 VanDerWaalsContact OD1-N 3.08Å; D183-S186 PolarHBondContact OD1-OG 3.36Å; D183-S186 WeakPolarHBondContact OD2-CB 3.27Å; D183-S186 PolarHBondContact OD2-OG 3.48Å; S186-F188 PolarHBondContact O-N 3.19Å; S186-A189 PolarHBondContact O-N 2.99Å
187P93.1Very high90.3Very high49 Ų4965 Ų6532%0.31833%0.334SS..G310 helixtrans-54.7-36175.5-28.737.3000113.9Q106 I110 K185Q106-P187 PolarHBondContact OE1-O 2.98Å; I110-P187 HydrophobicContact CD1-CG 4.43Å; K185-P187 VanDerWaalsContact C-N 3.33Å
188F92.7Very high89.3Confident0 Ų065.3 Ų65.30%034%0.335CS..G310 helixtrans-90-2.7-174.9-55.6-67.9000114.5V103 Q106 V107 I110 W184 K185 S186 D190 A191 D192 L240 V273 T275V103-F188 HydrophobicContact CB-CD1 4.28Å; V103-F188 HydrophobicContact CB-CE1 4.35Å; V103-F188 HydrophobicContact CG1-CD1 4.28Å; Q106-F188 HydrophobicContact CB-CE1 3.89Å; Q106-F188 HydrophobicContact CB-CZ 4.27Å; V107-F188 HydrophobicContact CG2-CE1 3.75Å; V107-F188 HydrophobicContact CG2-CZ 3.54Å; I110-F188 HydrophobicContact CD1-CE2 3.64Å; I110-F188 HydrophobicContact CD1-CZ 3.74Å; W184-F188 WeakPolarHBondContact O-CD2 3.28Å; W184-F188 WeakPolarHBondContact O-CE2 3.34Å; K185-F188 PolarHBondContact O-N 2.89Å; S186-F188 PolarHBondContact O-N 3.19Å; F188-D190 PolarHBondContact O-N 3.5Å; F188-A191 WeakPolarHBondContact O-CB 3.19Å; F188-A191 PolarHBondContact O-N 3.43Å; F188-A191 VanDerWaalsContact O-N 3.16Å; F188-D192 PolarHBondContact O-N 3.4Å; F188-L240 HydrophobicContact CD2-CD1 3.87Å; F188-L240 HydrophobicContact CE2-CD1 3.45Å; F188-L240 VanDerWaalsContact CE2-CD1 3.45Å; F188-L240 HydrophobicContact CZ-CD1 3.92Å; F188-V273 HydrophobicContact CD1-CG1 4.21Å; F188-V273 HydrophobicContact CE1-CG1 3.77Å; F188-T275 HydrophobicContact CB-CG2 4.34Å
189A91.1Very high88.3Confident57 Ų5766 Ų6647%0.47134%0.339SS..Hα-helixtrans-60.6-43.2-172.300000114.1S186 E193S186-A189 PolarHBondContact O-N 2.99Å; A189-E193 PolarHBondContact O-N 3.08Å; A189-E193 VanDerWaalsContact O-N 3.12Å
190D88.8Confident87.4Confident92 Ų9267.6 Ų67.649%0.49235%0.346SS..Hα-helixtrans-66.1-40.7176.4177.668.9000111.4F188 E193 R194F188-D190 PolarHBondContact O-N 3.5Å; D190-E193 PolarHBondContact O-N 2.84Å; D190-R194 WeakPolarHBondContact O-CG 3.27Å; D190-R194 PolarHBondContact O-N 3.36Å; D190-R194 IonicContact OD1-NE 2.69Å; D190-R194 IonicContact OD2-NE 3.88Å; D190-R194 PolarHBondContact OD2-NE 2.86Å; D190-R194 VanDerWaalsContact OD2-NE 3.14Å
191A87.4Confident86.6Confident4 Ų468 Ų683%0.03335%0.346CS..Hα-helixtrans-63-46.2177.300000111.6V99 V103 F188 E193 R194 I195V99-A191 HydrophobicContact CG1-CB 3.41Å; V99-A191 VanDerWaalsContact CG1-CB 3.41Å; V103-A191 HydrophobicContact CG1-CB 3.2Å; F188-A191 WeakPolarHBondContact O-CB 3.19Å; F188-A191 PolarHBondContact O-N 3.43Å; F188-A191 VanDerWaalsContact O-N 3.16Å; A191-E193 VanDerWaalsContact C-N 3.25Å; A191-E193 PolarHBondContact O-N 3.16Å; A191-R194 PolarHBondContact O-N 2.55Å; A191-R194 VanDerWaalsContact O-N 3.14Å; A191-I195 WeakPolarHBondContact O-CB 3.41Å; A191-I195 VanDerWaalsContact O-CG1 3.29Å; A191-I195 WeakPolarHBondContact O-CG1 3.38Å; A191-I195 PolarHBondContact O-N 3.26Å
192D87.6Confident86.1Confident17 Ų1763.2 Ų63.29%0.09132%0.324CS..Hα-helixtrans-59.4-37.4175.9-71.6-15.2000111.6F188 K196 H274 T275F188-D192 PolarHBondContact O-N 3.4Å; D192-K196 WeakPolarHBondContact O-CD 3.29Å; D192-K196 WeakPolarHBondContact O-CG 3.37Å; D192-K196 PolarHBondContact O-N 2.97Å; D192-K196 VanDerWaalsContact O-N 3.15Å; D192-H274 WeakPolarHBondContact OD1-CA 3.45Å; D192-H274 VanDerWaalsContact OD1-CB 3.26Å; D192-H274 WeakPolarHBondContact OD1-CB 3.49Å; D192-T275 PolarHBondContact OD1-N 3.04Å; D192-T275 VanDerWaalsContact OD1-N 3.16Å; D192-T275 VanDerWaalsContact OD2-CB 3.31Å; D192-T275 WeakPolarHBondContact OD2-CB 3.21Å; D192-T275 VanDerWaalsContact OD2-CG2 3.24Å; D192-T275 WeakPolarHBondContact OD2-CG2 3.12Å; D192-T275 PolarHBondContact OD2-OG1 3.19Å
193E86.6Confident85.6Confident101 Ų10161.1 Ų61.147%0.47232%0.315SS..Hα-helixtrans-67.3-42.2175.6-161.9-163.5131.700112A189 D190 A191 K196 K197A189-E193 PolarHBondContact O-N 3.08Å; A189-E193 VanDerWaalsContact O-N 3.12Å; D190-E193 PolarHBondContact O-N 2.84Å; A191-E193 VanDerWaalsContact C-N 3.25Å; A191-E193 PolarHBondContact O-N 3.16Å; E193-K196 PolarHBondContact O-N 3.48Å; E193-K197 PolarHBondContact O-N 3.16Å; E193-K197 WeakPolarHBondContact OE1-CE 3.49Å; E193-K197 IonicContact OE1-NZ 2.88Å; E193-K197 PolarHBondContact OE1-NZ 3.01Å
194R84.1Confident85.2Confident77 Ų7756.8 Ų56.829%0.29129%0.292SS..Hα-helixtrans-70.6-38.7178.3-71.9175.3178.8-109.34.8112.5N95 V99 D190 A191 K196 K197N95-R194 HydrophobicContact CB-CB 4.49Å; V99-R194 HydrophobicContact CG2-CB 3.78Å; V99-R194 HydrophobicContact CG2-CG 4.16Å; D190-R194 WeakPolarHBondContact O-CG 3.27Å; D190-R194 PolarHBondContact O-N 3.36Å; D190-R194 IonicContact OD1-NE 2.69Å; D190-R194 IonicContact OD2-NE 3.88Å; D190-R194 PolarHBondContact OD2-NE 2.86Å; D190-R194 VanDerWaalsContact OD2-NE 3.14Å; A191-R194 PolarHBondContact O-N 2.55Å; A191-R194 VanDerWaalsContact O-N 3.14Å; R194-K196 VanDerWaalsContact C-N 3.3Å; R194-K196 PolarHBondContact O-N 3.16Å; R194-K197 WeakPolarHBondContact O-CB 3.3Å; R194-K197 PolarHBondContact O-N 2.84Å
195I81.4Confident84.9Confident50 Ų5056.9 Ų56.926%0.25629%0.293SS..Hα-helixtrans-61.6-40.3174.7-70.6168.5000110.2A191 K197 I198 D199 H274A191-I195 WeakPolarHBondContact O-CB 3.41Å; A191-I195 VanDerWaalsContact O-CG1 3.29Å; A191-I195 WeakPolarHBondContact O-CG1 3.38Å; A191-I195 PolarHBondContact O-N 3.26Å; I195-K197 PolarHBondContact O-N 3.45Å; I195-I198 CarbonylContact O-C 3.56Å; I195-I198 WeakPolarHBondContact O-CG1 3.29Å; I195-I198 PolarHBondContact O-N 3.19Å; I195-D199 PolarHBondContact O-N 3.37Å; I195-H274 HydrophobicContact CD1-CB 4.28Å
196K80.2Confident84.7Confident143 Ų14353.8 Ų53.862%0.62228%0.283SS*.Hα-helixtrans-58.7-29.5173.9-73.2165.2-164.8167.70113.3D192 E193 R194 I198D192-K196 WeakPolarHBondContact O-CD 3.29Å; D192-K196 WeakPolarHBondContact O-CG 3.37Å; D192-K196 PolarHBondContact O-N 2.97Å; D192-K196 VanDerWaalsContact O-N 3.15Å; E193-K196 PolarHBondContact O-N 3.48Å; R194-K196 VanDerWaalsContact C-N 3.3Å; R194-K196 PolarHBondContact O-N 3.16Å; K196-I198 VanDerWaalsContact C-N 3.26Å; K196-I198 PolarHBondContact O-N 3.41Å
197K78.8Confident84.6Confident107 Ų10753.4 Ų53.447%0.46528%0.275SS..Hα-helixtrans-74-17.2177.4-63.9170.1-172.2166.40112.7N89 E193 R194 I195N89-K197 PolarHBondContact ND2-O 3.28Å; N89-K197 VanDerWaalsContact ND2-O 3.14Å; E193-K197 PolarHBondContact O-N 3.16Å; E193-K197 WeakPolarHBondContact OE1-CE 3.49Å; E193-K197 IonicContact OE1-NZ 2.88Å; E193-K197 PolarHBondContact OE1-NZ 3.01Å; R194-K197 WeakPolarHBondContact O-CB 3.3Å; R194-K197 PolarHBondContact O-N 2.84Å; I195-K197 PolarHBondContact O-N 3.45Å
198I74.6Confident84.5Confident12 Ų1251.3 Ų51.36%0.06226%0.262CS..Hα-helixtrans-111.43177.265169.9000113.2F92 N95 F96 I195 K196 N200F92-I198 HydrophobicContact CD2-CB 3.89Å; F92-I198 HydrophobicContact CD2-CD1 4.27Å; F92-I198 HydrophobicContact CD2-CG2 4.31Å; F92-I198 HydrophobicContact CE2-CB 4.34Å; F92-I198 HydrophobicContact CE2-CD1 4.05Å; N95-I198 HydrophobicContact CB-CG2 3.58Å; F96-I198 HydrophobicContact CB-CD1 3.96Å; F96-I198 HydrophobicContact CD2-CD1 3.86Å; F96-I198 HydrophobicContact CG-CD1 4.41Å; I195-I198 CarbonylContact O-C 3.56Å; I195-I198 WeakPolarHBondContact O-CG1 3.29Å; I195-I198 PolarHBondContact O-N 3.19Å; K196-I198 VanDerWaalsContact C-N 3.26Å; K196-I198 PolarHBondContact O-N 3.41Å; I198-N200 PolarHBondContact O-N 3.09Å
199D72.7Confident84.5Confident55 Ų5551.3 Ų51.329%0.29426%0.262SS..  trans-72.416.6-178.4-169.527.5000113.5I195 I201 R231I195-D199 PolarHBondContact O-N 3.37Å; D199-I201 VanDerWaalsContact C-N 3.34Å; D199-I201 PolarHBondContact O-N 3.25Å; D199-I201 VanDerWaalsContact O-N 3.15Å; D199-R231 VanDerWaalsContact O-CZ 3.24Å; D199-R231 PolarHBondContact O-NH1 3.07Å; D199-R231 PolarHBondContact O-NH2 3.22Å; D199-R231 IonicContact OD1-CZ 3.54Å; D199-R231 IonicContact OD1-NH1 2.61Å; D199-R231 IonicContact OD1-NH2 3.51Å; D199-R231 PolarHBondContact OD1-NH2 2.97Å; D199-R231 IonicContact OD2-CZ 3.15Å; D199-R231 IonicContact OD2-NH1 3.73Å; D199-R231 PolarHBondContact OD2-NH1 3.34Å; D199-R231 IonicContact OD2-NH2 3.94Å
200N75.1Confident84.6Confident75 Ų7554.1 Ų54.140%0.40127%0.266SS..  trans-8772.6173.1-171.732.3000111.2I198 Q202I198-N200 PolarHBondContact O-N 3.09Å; N200-Q202 VanDerWaalsContact C-N 3.32Å
201I79.1Confident84.9Confident44 Ų4452.3 Ų52.323%0.22625%0.252CS..  trans-88.40.417974.2-170.7000113.1D199 M204 V205 R231 L340D199-I201 VanDerWaalsContact C-N 3.34Å; D199-I201 PolarHBondContact O-N 3.25Å; D199-I201 VanDerWaalsContact O-N 3.15Å; I201-M204 HydrophobicContact CB-CE 4.14Å; I201-M204 PolarHBondContact O-N 2.9Å; I201-V205 HydrophobicContact CD1-CG2 4.48Å; I201-V205 HydrophobicContact CG1-CG2 4.1Å; I201-V205 WeakPolarHBondContact O-CG2 3.4Å; I201-V205 PolarHBondContact O-N 2.93Å; I201-R231 VanDerWaalsContact CG1-NH2 3.34Å; I201-L340 HydrophobicContact CD1-CD1 3.95Å
202Q82.5Confident85.2Confident102 Ų10252.1 Ų52.148%0.47725%0.251SS..Hα-helixtrans-60.6-46-173.4-172.6-174.5-2.900112.8N200 M204 V205 S206 L229N200-Q202 VanDerWaalsContact C-N 3.32Å; Q202-M204 PolarHBondContact O-N 3.29Å; Q202-V205 PolarHBondContact O-N 3.18Å; Q202-S206 WeakPolarHBondContact O-CB 3.49Å; Q202-S206 PolarHBondContact O-N 3.45Å; Q202-S206 PolarHBondContact O-OG 2.87Å; Q202-S206 VanDerWaalsContact O-OG 3.06Å; Q202-L229 HydrophobicContact CG-CD2 4.3Å
203P85.4Confident85.5Confident26 Ų2654.5 Ų54.517%0.16926%0.26CS..Hα-helixtrans-59.5-48.3178-23.235000112V205 S206 N207P203-V205 PolarHBondContact O-N 3.03Å; P203-S206 PolarHBondContact O-N 2.9Å; P203-N207 WeakPolarHBondContact O-CB 3.49Å; P203-N207 VanDerWaalsContact O-CG 3.28Å; P203-N207 PolarHBondContact O-N 3.27Å
204M85.6Confident85.9Confident9 Ų954.5 Ų54.54%0.04427%0.271CS..Hα-helixtrans-55.9-47.2176.1-178.7-172.574.800112.2L83 E86 T87 I201 Q202 N207 G208 L340 M344 M347L83-M204 HydrophobicContact CD2-SD 3.65Å; E86-M204 HydrophobicContact CB-CB 4Å; E86-M204 HydrophobicContact CB-CG 3.94Å; E86-M204 WeakPolarHBondContact O-CA 3.44Å; E86-M204 PolarHBondContact O-N 2.96Å; E86-M204 VanDerWaalsContact O-N 3.1Å; T87-M204 HydrophobicContact CG2-CB 4.49Å; I201-M204 HydrophobicContact CB-CE 4.14Å; I201-M204 PolarHBondContact O-N 2.9Å; Q202-M204 PolarHBondContact O-N 3.29Å; M204-N207 PolarHBondContact O-N 3.03Å; M204-G208 PolarHBondContact O-N 3.41Å; M204-L340 HydrophobicContact CE-CD1 3.87Å; M204-M344 HydrophobicContact CE-CG 3.72Å; M204-M344 HydrophobicContact CE-SD 3.86Å; M204-M344 HydrophobicContact SD-CG 4.3Å; M204-M347 HydrophobicContact SD-CE 4.28Å
205V89Confident86.5Confident11 Ų1155 Ų557%0.06728%0.28CS..Hα-helixtrans-64-44.61791710000110.9I201 Q202 P203 G208 L209 L229 I339 L340I201-V205 HydrophobicContact CD1-CG2 4.48Å; I201-V205 HydrophobicContact CG1-CG2 4.1Å; I201-V205 WeakPolarHBondContact O-CG2 3.4Å; I201-V205 PolarHBondContact O-N 2.93Å; Q202-V205 PolarHBondContact O-N 3.18Å; P203-V205 PolarHBondContact O-N 3.03Å; V205-G208 PolarHBondContact O-N 3.03Å; V205-L209 HydrophobicContact CG1-CD1 3.9Å; V205-L209 HydrophobicContact CG1-CG 4.29Å; V205-L209 WeakPolarHBondContact O-CB 3.33Å; V205-L209 VanDerWaalsContact O-CG 3.25Å; V205-L209 WeakPolarHBondContact O-CG 3.44Å; V205-L209 PolarHBondContact O-N 3.24Å; V205-L229 HydrophobicContact CG1-CD2 4.12Å; V205-I339 HydrophobicContact CG1-CG2 3.75Å; V205-L340 HydrophobicContact CG2-CD1 3.7Å
206S89.4Confident87.2Confident25 Ų2555 Ų5518%0.17528%0.277CS..Hα-helixtrans-59.1-50.6177-64.40000111.6Q202 P203 G208 L209 E210Q202-S206 WeakPolarHBondContact O-CB 3.49Å; Q202-S206 PolarHBondContact O-N 3.45Å; Q202-S206 PolarHBondContact O-OG 2.87Å; Q202-S206 VanDerWaalsContact O-OG 3.06Å; P203-S206 PolarHBondContact O-N 2.9Å; S206-G208 VanDerWaalsContact C-N 3.34Å; S206-G208 PolarHBondContact O-N 2.83Å; S206-L209 PolarHBondContact O-N 3.34Å; S206-E210 WeakPolarHBondContact O-CG 3.19Å; S206-E210 PolarHBondContact O-N 3.35Å
207N90.6Very high87.8Confident66 Ų6652.2 Ų52.235%0.35327%0.266SS..Hα-helixtrans-57.5-45.8179-70-10.2000111.6E86 P203 M204 E210 W211E86-N207 PolarHBondContact OE2-ND2 2.95Å; P203-N207 WeakPolarHBondContact O-CB 3.49Å; P203-N207 VanDerWaalsContact O-CG 3.28Å; P203-N207 PolarHBondContact O-N 3.27Å; M204-N207 PolarHBondContact O-N 3.03Å; N207-E210 PolarHBondContact O-N 2.55Å; N207-W211 PolarHBondContact O-N 3.18Å
208G92.6Very high88.6Confident5 Ų557.1 Ų57.15%0.05229%0.288CS..Hα-helixtrans-67.4-37.4179.400000113.7M204 V205 S206 W211 L212 G343M204-G208 PolarHBondContact O-N 3.41Å; V205-G208 PolarHBondContact O-N 3.03Å; S206-G208 VanDerWaalsContact C-N 3.34Å; S206-G208 PolarHBondContact O-N 2.83Å; G208-W211 PolarHBondContact O-N 3.38Å; G208-L212 WeakPolarHBondContact O-CB 3.35Å; G208-L212 PolarHBondContact O-N 2.75Å; G208-G343 WeakPolarHBondContact CA-O 3.48Å
209L92.3Very high89.5Confident0 Ų060.8 Ų60.80%030%0.301CS..Hα-helixtrans-68.4-37.8173.9-69.7178000111.9V205 S206 L212 K213 F225 I339 Y375V205-L209 HydrophobicContact CG1-CD1 3.9Å; V205-L209 HydrophobicContact CG1-CG 4.29Å; V205-L209 WeakPolarHBondContact O-CB 3.33Å; V205-L209 VanDerWaalsContact O-CG 3.25Å; V205-L209 WeakPolarHBondContact O-CG 3.44Å; V205-L209 PolarHBondContact O-N 3.24Å; S206-L209 PolarHBondContact O-N 3.34Å; L209-L212 HydrophobicContact CD2-CD2 4.42Å; L209-L212 PolarHBondContact O-N 2.78Å; L209-K213 WeakPolarHBondContact O-CB 3.18Å; L209-K213 PolarHBondContact O-N 2.97Å; L209-F225 HydrophobicContact CB-CD1 4.1Å; L209-F225 HydrophobicContact CB-CD2 3.88Å; L209-F225 HydrophobicContact CB-CE1 3.99Å; L209-F225 HydrophobicContact CB-CE2 3.75Å; L209-F225 HydrophobicContact CB-CG 4.06Å; L209-F225 HydrophobicContact CB-CZ 3.81Å; L209-F225 HydrophobicContact CD1-CB 4.2Å; L209-F225 HydrophobicContact CD1-CD1 3.87Å; L209-F225 HydrophobicContact CD1-CE1 4.38Å; L209-F225 HydrophobicContact CD1-CG 4.02Å; L209-F225 HydrophobicContact CD2-CD1 4.44Å; L209-F225 HydrophobicContact CD2-CE1 4.17Å; L209-F225 HydrophobicContact CG-CD1 4.37Å; L209-F225 HydrophobicContact CG-CE1 4.41Å; L209-F225 VanDerWaalsContact O-CE2 3.22Å; L209-F225 WeakPolarHBondContact O-CE2 3.15Å; L209-F225 VanDerWaalsContact O-CZ 3.24Å; L209-F225 WeakPolarHBondContact O-CZ 3.16Å; L209-I339 HydrophobicContact CD1-CG2 4.03Å; L209-Y375 HydrophobicContact CD2-CD2 4.13Å
210E93Very high90.5Very high115 Ų11558.8 Ų58.854%0.53729%0.289SS..Hα-helixtrans-62.7-42.1172.4-75.9176.7-161.100111.8S206 N207 K213 S214S206-E210 WeakPolarHBondContact O-CG 3.19Å; S206-E210 PolarHBondContact O-N 3.35Å; N207-E210 PolarHBondContact O-N 2.55Å; E210-K213 PolarHBondContact O-N 3.08Å; E210-S214 WeakPolarHBondContact O-CB 3.1Å; E210-S214 PolarHBondContact O-N 3.34Å; E210-S214 PolarHBondContact O-OG 3.1Å
211W94.6Very high91.2Very high55 Ų5561.3 Ų61.321%0.20830%0.302CS..Hα-helixtrans-61.4-46.8172.2177.590000111.5N207 G208 K213 S214 N215 Y216 L345 Q346 L349N207-W211 PolarHBondContact O-N 3.18Å; G208-W211 PolarHBondContact O-N 3.38Å; W211-K213 VanDerWaalsContact C-N 3.34Å; W211-K213 PolarHBondContact O-N 3.17Å; W211-S214 PolarHBondContact O-N 3.34Å; W211-N215 PolarHBondContact NE1-ND2 2.81Å; W211-N215 PolarHBondContact O-N 3.3Å; W211-N215 VanDerWaalsContact O-N 3.12Å; W211-N215 PolarHBondContact O-ND2 3.35Å; W211-Y216 AromaticContact CH2-CE2 3.99Å; W211-Y216 HydrophobicContact CH2-CE2 3.99Å; W211-Y216 HydrophobicContact CZ3-CE2 4.1Å; W211-L345 HydrophobicContact CZ3-CB 4.44Å; W211-L345 HydrophobicContact CZ3-CD2 4Å; W211-L345 HydrophobicContact CZ3-CG 4.09Å; W211-Q346 VanDerWaalsContact CD1-CD 3.42Å; W211-Q346 HydrophobicContact CD2-CB 3.77Å; W211-Q346 HydrophobicContact CD2-CG 3.94Å; W211-Q346 HydrophobicContact CE3-CB 3.84Å; W211-Q346 HydrophobicContact CE3-CG 4.47Å; W211-Q346 HydrophobicContact CG-CB 4.24Å; W211-Q346 HydrophobicContact CG-CG 4.21Å; W211-Q346 HydrophobicContact CH2-CB 4.43Å; W211-Q346 HydrophobicContact CZ2-CB 4.36Å; W211-Q346 HydrophobicContact CZ2-CG 4.15Å; W211-Q346 HydrophobicContact CZ3-CB 4.17Å; W211-L349 HydrophobicContact CH2-CD1 3.9Å
212L94.8Very high91.5Very high0 Ų060.5 Ų60.50%030%0.297CS..Hα-helixtrans-59.1-45.9178.4-175.474.1000110.8G208 L209 N215 Y216 L345 L372G208-L212 WeakPolarHBondContact O-CB 3.35Å; G208-L212 PolarHBondContact O-N 2.75Å; L209-L212 HydrophobicContact CD2-CD2 4.42Å; L209-L212 PolarHBondContact O-N 2.78Å; L212-N215 PolarHBondContact O-N 2.93Å; L212-Y216 HydrophobicContact CD1-CD2 3.83Å; L212-Y216 HydrophobicContact CD1-CE2 4.43Å; L212-Y216 WeakPolarHBondContact O-CB 3.3Å; L212-Y216 WeakPolarHBondContact O-CD2 3.26Å; L212-Y216 PolarHBondContact O-N 3.29Å; L212-L345 HydrophobicContact CD1-CD2 3.66Å; L212-L372 HydrophobicContact CD1-CD2 4.2Å; L212-L372 HydrophobicContact CD2-CD2 4.12Å; L212-L372 HydrophobicContact CG-CD2 4.13Å
213K93.4Very high91.6Very high66 Ų6660.4 Ų60.429%0.28730%0.295SS..Hα-helixtrans-60.7-50.4175.6-174.4171.3178.1171.40111.5L209 E210 W211 N215 Y216 E217 M220 K223 F225L209-K213 WeakPolarHBondContact O-CB 3.18Å; L209-K213 PolarHBondContact O-N 2.97Å; E210-K213 PolarHBondContact O-N 3.08Å; W211-K213 VanDerWaalsContact C-N 3.34Å; W211-K213 PolarHBondContact O-N 3.17Å; K213-N215 PolarHBondContact O-N 3.49Å; K213-N215 VanDerWaalsContact O-N 3.13Å; K213-Y216 PolarHBondContact O-N 2.91Å; K213-E217 HydrophobicContact CG-CB 4.18Å; K213-E217 HydrophobicContact CG-CG 4.35Å; K213-E217 WeakPolarHBondContact O-CA 3.42Å; K213-E217 WeakPolarHBondContact O-CB 3.42Å; K213-E217 PolarHBondContact O-N 2.86Å; K213-M220 HydrophobicContact CB-SD 4.11Å; K213-M220 HydrophobicContact CG-SD 4.29Å; K213-K223 PolarHBondContact NZ-O 3.01Å; K213-F225 HydrophobicContact CB-CE2 3.8Å; K213-F225 HydrophobicContact CB-CZ 3.8Å; K213-F225 HydrophobicContact CD-CE2 3.75Å; K213-F225 HydrophobicContact CD-CZ 4.17Å; K213-F225 HydrophobicContact CG-CE2 4.38Å; K213-F225 HydrophobicContact CG-CZ 4.47Å
214S95.1Very high91.5Very high102 Ų10263.4 Ų63.471%0.71331%0.309SS*.Hα-helixtrans-57.9-32.2-177.4-60.70000112.9E210 W211E210-S214 WeakPolarHBondContact O-CB 3.1Å; E210-S214 PolarHBondContact O-N 3.34Å; E210-S214 PolarHBondContact O-OG 3.1Å; W211-S214 PolarHBondContact O-N 3.34Å
215N96.2Very high91.2Very high88 Ų8864.1 Ų64.147%0.47131%0.312SS..Hα-helixtrans-94.5-27.7-179.3-70.2-83.7000113.9W211 L212 K213W211-N215 PolarHBondContact NE1-ND2 2.81Å; W211-N215 PolarHBondContact O-N 3.3Å; W211-N215 VanDerWaalsContact O-N 3.12Å; W211-N215 PolarHBondContact O-ND2 3.35Å; L212-N215 PolarHBondContact O-N 2.93Å; K213-N215 PolarHBondContact O-N 3.49Å; K213-N215 VanDerWaalsContact O-N 3.13Å
216Y95.6Very high90.7Very high48 Ų4868 Ų6819%0.18834%0.336CS..Hα-helixtrans-135.815.2-167.2-53.1-72.5000115.3W211 L212 K213 K218 R219 V368W211-Y216 AromaticContact CH2-CE2 3.99Å; W211-Y216 HydrophobicContact CH2-CE2 3.99Å; W211-Y216 HydrophobicContact CZ3-CE2 4.1Å; L212-Y216 HydrophobicContact CD1-CD2 3.83Å; L212-Y216 HydrophobicContact CD1-CE2 4.43Å; L212-Y216 WeakPolarHBondContact O-CB 3.3Å; L212-Y216 WeakPolarHBondContact O-CD2 3.26Å; L212-Y216 PolarHBondContact O-N 3.29Å; K213-Y216 PolarHBondContact O-N 2.91Å; Y216-K218 PolarHBondContact O-N 3.45Å; Y216-R219 WeakPolarHBondContact O-CB 3.37Å; Y216-R219 PolarHBondContact O-N 3.41Å; Y216-V368 HydrophobicContact CD1-CG1 3.78Å; Y216-V368 HydrophobicContact CD2-CG1 4.08Å; Y216-V368 HydrophobicContact CE1-CG1 3.76Å; Y216-V368 HydrophobicContact CE1-CG2 4.16Å; Y216-V368 HydrophobicContact CE2-CG1 4.06Å; Y216-V368 HydrophobicContact CE2-CG2 3.86Å; Y216-V368 HydrophobicContact CG-CG1 3.94Å; Y216-V368 WeakPolarHBondContact OH-CG2 3.18Å
217E93.2Very high90Very high86 Ų8667 Ų6740%0.40233%0.329SS..G310 helixtrans-46.9-39-177.1-179.8178.5-156.800114.1K213 R219 M220 K223K213-E217 HydrophobicContact CG-CB 4.18Å; K213-E217 HydrophobicContact CG-CG 4.35Å; K213-E217 WeakPolarHBondContact O-CA 3.42Å; K213-E217 WeakPolarHBondContact O-CB 3.42Å; K213-E217 PolarHBondContact O-N 2.86Å; E217-R219 PolarHBondContact O-N 3.04Å; E217-M220 PolarHBondContact O-N 3.43Å; E217-M220 VanDerWaalsContact O-N 3.14Å; E217-K223 HydrophobicContact CG-CD 4.19Å; E217-K223 IonicContact OE1-NZ 2.9Å
218K95.2Very high89.1Confident210 Ų21064.5 Ų64.591%0.91332%0.317SS*.G310 helixtrans-64-19.4-179.3-67.5-178.1-180176.50114Y216Y216-K218 PolarHBondContact O-N 3.45Å
219R94.9Very high87.9Confident89 Ų8966.4 Ų66.434%0.33633%0.326SS..G310 helixtrans-97.7-8.6179.7-62.7167.661.7163.33.4112.5Y216 E217 E365 N369 L372Y216-R219 WeakPolarHBondContact O-CB 3.37Å; Y216-R219 PolarHBondContact O-N 3.41Å; E217-R219 PolarHBondContact O-N 3.04Å; R219-E365 IonicContact CZ-OE1 2.99Å; R219-E365 VanDerWaalsContact CZ-OE1 3.27Å; R219-E365 IonicContact CZ-OE2 3.65Å; R219-E365 IonicContact NH1-OE1 2.71Å; R219-E365 PolarHBondContact NH1-OE1 3.48Å; R219-E365 IonicContact NH1-OE2 3.4Å; R219-E365 PolarHBondContact NH1-OE2 3.4Å; R219-E365 IonicContact NH2-OE1 3.63Å; R219-E365 PolarHBondContact NH2-OE1 3.11Å; R219-E365 IonicContact NH2-OE2 3Å; R219-N369 PolarHBondContact NH2-OD1 2.58Å; R219-L372 HydrophobicContact CB-CD1 3.69Å
220M92.4Very high86.6Confident12 Ų1271.2 Ų71.26%0.05935%0.352CS..  trans-86.2136.3-179.5-62.9176.973.700110.8K213 E217 H222 F225 L372 Y375K213-M220 HydrophobicContact CB-SD 4.11Å; K213-M220 HydrophobicContact CG-SD 4.29Å; E217-M220 PolarHBondContact O-N 3.43Å; E217-M220 VanDerWaalsContact O-N 3.14Å; M220-H222 WeakPolarHBondContact CE-O 3.29Å; M220-F225 HydrophobicContact CE-CE1 3.34Å; M220-F225 HydrophobicContact CE-CZ 3.42Å; M220-F225 VanDerWaalsContact CE-CZ 3.42Å; M220-F225 HydrophobicContact SD-CZ 4.37Å; M220-L372 HydrophobicContact CG-CD2 3.51Å; M220-Y375 HydrophobicContact CE-CD1 3.75Å; M220-Y375 HydrophobicContact CE-CE1 3.43Å; M220-Y375 VanDerWaalsContact CE-CE1 3.43Å
221I90.1Very high84.9Confident129 Ų12972 Ų7266%0.66235%0.35SS*.SBendtrans-82.8-47.8171.9-60.7171.8000109.2D376I221-D376 HydrophobicContact CB-CB 4.42Å; I221-D376 WeakPolarHBondContact CB-OD1 3.5Å; I221-D376 HydrophobicContact CD1-CB 4.3Å; I221-D376 PolarHBondContact N-OD1 2.82Å; I221-D376 PolarHBondContact N-OD2 2.78Å
222H86.5Confident82.8Confident26 Ų2673.3 Ų73.312%0.1236%0.357CS..  trans-94.9136.7177.7-63.3-84.9000110.4M220 Y375 D376 M379 T380 E383M220-H222 WeakPolarHBondContact CE-O 3.29Å; H222-Y375 HydrophobicContact CB-CE1 3.71Å; H222-Y375 VanDerWaalsContact O-CE1 3.26Å; H222-Y375 WeakPolarHBondContact O-CE1 3.28Å; H222-D376 IonicContact CD2-OD1 2.74Å; H222-D376 PolarHBondContact N-OD1 2.85Å; H222-D376 VanDerWaalsContact N-OD1 3.13Å; H222-M379 HydrophobicContact CB-CB 3.75Å; H222-M379 HydrophobicContact CB-CE 4.37Å; H222-M379 HydrophobicContact CB-CG 3.79Å; H222-M379 VanDerWaalsContact CD2-CB 3.45Å; H222-M379 WeakPolarHBondContact CD2-CB 3.42Å; H222-T380 PolarHBondContact NE2-OG1 2.94Å; H222-E383 IonicContact CE1-OE1 3.69Å; H222-E383 IonicContact CE1-OE2 3.79Å; H222-E383 PolarHBondContact CE1-OE2 3.23Å; H222-E383 IonicContact ND1-OE1 2.63Å; H222-E383 IonicContact ND1-OE2 3.15Å
223K84.2Confident80.6Confident101 Ų10181.4 Ų81.444%0.43939%0.393SS..  trans-123.5-11.4-174.6-64.9-176-179.7-176.90114.8K213 E217K213-K223 PolarHBondContact NZ-O 3.01Å; E217-K223 HydrophobicContact CG-CD 4.19Å; E217-K223 IonicContact OE1-NZ 2.9Å
224D82.5Confident78.5Confident88 Ų8880.2 Ų80.247%0.47139%0.392SS..  trans-96.9116.3174.1178.418.4000109.4T226 P227 Y375 M379D224-T226 VanDerWaalsContact OD1-CB 3.22Å; D224-T226 WeakPolarHBondContact OD1-CB 3.44Å; D224-T226 PolarHBondContact OD1-N 2.96Å; D224-T226 PolarHBondContact OD1-OG1 2.93Å; D224-P227 WeakPolarHBondContact O-CD 3.23Å; D224-Y375 PolarHBondContact O-OH 3.07Å; D224-M379 VanDerWaalsContact O-CE 3.29Å; D224-M379 WeakPolarHBondContact O-CE 3.21Å
225F80.7Confident76.3Confident25 Ų2582.3 Ų82.311%0.1140%0.4CS..  trans-84.8-13.5178.7-60.4-49.1000113.4L209 K213 M220 P227 A228 L229 Y375L209-F225 HydrophobicContact CB-CD1 4.1Å; L209-F225 HydrophobicContact CB-CD2 3.88Å; L209-F225 HydrophobicContact CB-CE1 3.99Å; L209-F225 HydrophobicContact CB-CE2 3.75Å; L209-F225 HydrophobicContact CB-CG 4.06Å; L209-F225 HydrophobicContact CB-CZ 3.81Å; L209-F225 HydrophobicContact CD1-CB 4.2Å; L209-F225 HydrophobicContact CD1-CD1 3.87Å; L209-F225 HydrophobicContact CD1-CE1 4.38Å; L209-F225 HydrophobicContact CD1-CG 4.02Å; L209-F225 HydrophobicContact CD2-CD1 4.44Å; L209-F225 HydrophobicContact CD2-CE1 4.17Å; L209-F225 HydrophobicContact CG-CD1 4.37Å; L209-F225 HydrophobicContact CG-CE1 4.41Å; L209-F225 VanDerWaalsContact O-CE2 3.22Å; L209-F225 WeakPolarHBondContact O-CE2 3.15Å; L209-F225 VanDerWaalsContact O-CZ 3.24Å; L209-F225 WeakPolarHBondContact O-CZ 3.16Å; K213-F225 HydrophobicContact CB-CE2 3.8Å; K213-F225 HydrophobicContact CB-CZ 3.8Å; K213-F225 HydrophobicContact CD-CE2 3.75Å; K213-F225 HydrophobicContact CD-CZ 4.17Å; K213-F225 HydrophobicContact CG-CE2 4.38Å; K213-F225 HydrophobicContact CG-CZ 4.47Å; M220-F225 HydrophobicContact CE-CE1 3.34Å; M220-F225 HydrophobicContact CE-CZ 3.42Å; M220-F225 VanDerWaalsContact CE-CZ 3.42Å; M220-F225 HydrophobicContact SD-CZ 4.37Å; F225-P227 VanDerWaalsContact C-N 3.3Å; F225-P227 VanDerWaalsContact O-N 3.15Å; F225-A228 VanDerWaalsContact O-CB 3.25Å; F225-A228 WeakPolarHBondContact O-CB 3.39Å; F225-A228 PolarHBondContact O-N 3.01Å; F225-L229 PolarHBondContact O-N 2.82Å; F225-Y375 HydrophobicContact CD1-CD2 4.4Å; F225-Y375 HydrophobicContact CD1-CE1 4.37Å; F225-Y375 AromaticContact CD1-CE2 3.38Å; F225-Y375 HydrophobicContact CD1-CE2 3.38Å; F225-Y375 AromaticContact CD1-CZ 3.35Å; F225-Y375 WeakPolarHBondContact CD1-OH 3.37Å; F225-Y375 HydrophobicContact CE1-CD2 4.24Å; F225-Y375 AromaticContact CE1-CE1 3.91Å; F225-Y375 HydrophobicContact CE1-CE1 3.91Å; F225-Y375 AromaticContact CE1-CE2 3.52Å; F225-Y375 HydrophobicContact CE1-CE2 3.52Å; F225-Y375 AromaticContact CE1-CZ 3.31Å; F225-Y375 WeakPolarHBondContact CE1-OH 3.47Å
226T77.6Confident74.7Confident93 Ų9380 Ų8057%0.57139%0.388SS*.G310 helixtrans-51.8-41.9-174.7-47.80000113.2D224 A228D224-T226 VanDerWaalsContact OD1-CB 3.22Å; D224-T226 WeakPolarHBondContact OD1-CB 3.44Å; D224-T226 PolarHBondContact OD1-N 2.96Å; D224-T226 PolarHBondContact OD1-OG1 2.93Å; T226-A228 VanDerWaalsContact C-N 3.32Å; T226-A228 PolarHBondContact O-N 3.06Å
227P74.1Confident73.4Confident4 Ų480.3 Ų80.33%0.02640%0.395CS..G310 helixtrans-66.2-32.4177.7-20.534.7000113.8D224 F225 L229 N230 M379 I382D224-P227 WeakPolarHBondContact O-CD 3.23Å; F225-P227 VanDerWaalsContact C-N 3.3Å; F225-P227 VanDerWaalsContact O-N 3.15Å; P227-L229 VanDerWaalsContact C-N 3.3Å; P227-L229 PolarHBondContact O-N 3.32Å; P227-N230 PolarHBondContact O-N 3.3Å; P227-M379 HydrophobicContact CB-CE 3.94Å; P227-M379 HydrophobicContact CG-CE 3.82Å; P227-I382 HydrophobicContact CB-CG2 3.75Å
228A72.2Confident73.1Confident12 Ų1279.1 Ų79.110%0.09939%0.394CS..G310 helixtrans-68.1-27.2-177.200000113F225 T226 N230 I339 Y375 M379F225-A228 VanDerWaalsContact O-CB 3.25Å; F225-A228 WeakPolarHBondContact O-CB 3.39Å; F225-A228 PolarHBondContact O-N 3.01Å; T226-A228 VanDerWaalsContact C-N 3.32Å; T226-A228 PolarHBondContact O-N 3.06Å; A228-N230 VanDerWaalsContact C-N 3.29Å; A228-N230 PolarHBondContact O-N 3.29Å; A228-I339 HydrophobicContact CB-CD1 3.45Å; A228-I339 VanDerWaalsContact CB-CD1 3.45Å; A228-I339 HydrophobicContact CB-CG1 3.94Å; A228-I339 HydrophobicContact CB-CG2 4.14Å; A228-Y375 HydrophobicContact CB-CE2 4.47Å; A228-M379 HydrophobicContact CB-SD 3.91Å
229L68.3Low73.1Confident46 Ų4669.1 Ų69.124%0.24135%0.35CS..G310 helixtrans-79.3-10-176.9-60178.3000113.7Q202 V205 F225 P227 R231Q202-L229 HydrophobicContact CG-CD2 4.3Å; V205-L229 HydrophobicContact CG1-CD2 4.12Å; F225-L229 PolarHBondContact O-N 2.82Å; P227-L229 VanDerWaalsContact C-N 3.3Å; P227-L229 PolarHBondContact O-N 3.32Å; L229-R231 PolarHBondContact O-N 2.84Å
230N65.2Low73.1Confident100 Ų10064.9 Ų64.954%0.53534%0.335SS..SBendtrans-83.3111.9177.3-67.1-44.6000110.3P227 A228 F232P227-N230 PolarHBondContact O-N 3.3Å; A228-N230 VanDerWaalsContact C-N 3.29Å; A228-N230 PolarHBondContact O-N 3.29Å; N230-F232 WeakPolarHBondContact O-CE2 3.24Å
231R56Low73.2Confident131 Ų13164.3 Ų64.349%0.49433%0.332SS..  trans-72134.5-179.9-82.7175.9164.7170.6-13.5112.6D199 I201 L229D199-R231 VanDerWaalsContact O-CZ 3.24Å; D199-R231 PolarHBondContact O-NH1 3.07Å; D199-R231 PolarHBondContact O-NH2 3.22Å; D199-R231 IonicContact OD1-CZ 3.54Å; D199-R231 IonicContact OD1-NH1 2.61Å; D199-R231 IonicContact OD1-NH2 3.51Å; D199-R231 PolarHBondContact OD1-NH2 2.97Å; D199-R231 IonicContact OD2-CZ 3.15Å; D199-R231 IonicContact OD2-NH1 3.73Å; D199-R231 PolarHBondContact OD2-NH1 3.34Å; D199-R231 IonicContact OD2-NH2 3.94Å; I201-R231 VanDerWaalsContact CG1-NH2 3.34Å; L229-R231 PolarHBondContact O-N 2.84Å
232F50Low73.4Confident83 Ų8358.2 Ų58.236%0.36430%0.301SS..  trans-104.2130.5168.2-58.7-81.1000109.5N230 I382N230-F232 WeakPolarHBondContact O-CE2 3.24Å; F232-I382 HydrophobicContact CE2-CG1 4.32Å
233K49.8Very low73.6Confident171 Ų17157.7 Ų57.774%0.74330%0.302SS*.  trans-119.194.6169.8-74.4-170.6178.8-174.60109
234P48.8Very low74Confident41 Ų4154.2 Ų54.227%0.26629%0.288SS..  trans-73.2147.2170.828.8-30.8000110.8L236 E332 V333P234-L236 HydrophobicContact CG-CD1 4.24Å; P234-E332 HydrophobicContact CB-CB 4.13Å; P234-E332 HydrophobicContact CG-CB 3.94Å; P234-V333 HydrophobicContact CG-CG2 3.42Å; P234-V333 VanDerWaalsContact CG-CG2 3.42Å
235T49.4Very low74.6Confident145 Ų14550 Ų5089%0.8927%0.266SS*.  trans-82.6110.7169.942.70000109.8
236L62.8Low75.1Confident41 Ų4150.6 Ų50.622%0.21527%0.267CS..  trans-133.3163.9178.9-75169.8000110.1P234 T238 N277 F279 A329 V333P234-L236 HydrophobicContact CG-CD1 4.24Å; L236-T238 PolarHBondContact O-N 3.21Å; L236-N277 HydrophobicContact CB-CB 3.8Å; L236-N277 HydrophobicContact CD1-CB 3.99Å; L236-F279 HydrophobicContact CD1-CD2 3.33Å; L236-F279 HydrophobicContact CD1-CE2 3.44Å; L236-F279 VanDerWaalsContact CD1-CE2 3.44Å; L236-F279 HydrophobicContact CD2-CE2 4.04Å; L236-F279 HydrophobicContact CG-CE2 4.39Å; L236-A329 HydrophobicContact CD1-CB 4.29Å; L236-A329 HydrophobicContact CD2-CB 3.86Å; L236-V333 HydrophobicContact CD1-CG2 4.16Å
237P68.6Low75.9Confident54 Ų5446.2 Ų46.235%0.35124%0.24SC..  trans-53.3129.9174.9-25.134.3000111.3V239P237-V239 PolarHBondContact O-N 2.9Å
238T86.7Confident76.6Confident60 Ų6048.3 Ų48.337%0.36825%0.251SS..EExtended strand (participates in β ladder)trans-76.3119.7177.7-50.60000110W184 L236 G276W184-T238 HydrophobicContact CH2-CG2 4.35Å; W184-T238 WeakPolarHBondContact CZ2-O 3.41Å; L236-T238 PolarHBondContact O-N 3.21Å; T238-G276 CarbonylContact C-O 3.6Å; T238-G276 VanDerWaalsContact CA-O 3.24Å; T238-G276 WeakPolarHBondContact CA-O 3.46Å
239V93.8Very high77.7Confident0 Ų048.2 Ų48.20%025%0.249CC..EExtended strand (participates in β ladder)trans-124.9168.8177-63.20000110.6H174 C177 I178 W184 P237 V241 G276 I278H174-V239 HydrophobicContact CB-CG1 4.04Å; C177-V239 HydrophobicContact CB-CB 4.13Å; C177-V239 HydrophobicContact CB-CG1 4.08Å; I178-V239 HydrophobicContact CD1-CG1 4.31Å; I178-V239 HydrophobicContact CG1-CG1 4.16Å; W184-V239 VanDerWaalsContact CH2-CA 3.44Å; P237-V239 PolarHBondContact O-N 2.9Å; V239-V241 HydrophobicContact CG2-CG2 4.2Å; V239-V241 PolarHBondContact O-N 2.83Å; V239-G276 PolarHBondContact N-O 2.82Å; V239-G276 PolarHBondContact O-N 2.79Å; V239-I278 HydrophobicContact CB-CG2 4.29Å; V239-I278 HydrophobicContact CG1-CG2 3.57Å; V239-I278 HydrophobicContact CG2-CB 4.37Å; V239-I278 HydrophobicContact CG2-CG2 3.73Å
240L95.5Very high79.2Confident1 Ų146 Ų461%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-74.1118.7170.3-165.873.7000108.4V107 F111 L173 C177 W184 F188 V273V107-L240 HydrophobicContact CG2-CD2 4.47Å; F111-L240 HydrophobicContact CE1-CD2 4.2Å; F111-L240 HydrophobicContact CZ-CD2 3.95Å; L173-L240 HydrophobicContact CD1-CD2 4.39Å; C177-L240 VanDerWaalsContact SG-CB 3.56Å; C177-L240 PolarHBondContact SG-N 3.15Å; C177-L240 VanDerWaalsContact SG-N 3.41Å; W184-L240 HydrophobicContact CE3-CB 4.17Å; W184-L240 HydrophobicContact CE3-CD1 3.96Å; W184-L240 HydrophobicContact CZ3-CB 3.97Å; W184-L240 HydrophobicContact CZ3-CD1 4.06Å; F188-L240 HydrophobicContact CD2-CD1 3.87Å; F188-L240 HydrophobicContact CE2-CD1 3.45Å; F188-L240 VanDerWaalsContact CE2-CD1 3.45Å; F188-L240 HydrophobicContact CZ-CD1 3.92Å; L240-V273 HydrophobicContact CD1-CG2 3.4Å; L240-V273 VanDerWaalsContact CD1-CG2 3.4Å; L240-V273 HydrophobicContact CD2-CG2 4Å; L240-V273 HydrophobicContact CG-CG2 3.54Å
241V94Very high80.7Confident0 Ų042.3 Ų42.30%022%0.217CC..EExtended strand (participates in β ladder)trans-104.9130.2178.3172.80000107.9V239 G243 V273 H274 N277 E280V239-V241 HydrophobicContact CG2-CG2 4.2Å; V239-V241 PolarHBondContact O-N 2.83Å; V241-G243 VanDerWaalsContact C-N 3.3Å; V241-G243 PolarHBondContact O-N 3.29Å; V241-V273 VanDerWaalsContact O-CA 3.24Å; V241-V273 WeakPolarHBondContact O-CA 3.43Å; V241-V273 WeakPolarHBondContact O-CG2 3.32Å; V241-H274 VanDerWaalsContact CG1-CE1 3.4Å; V241-H274 WeakPolarHBondContact CG1-CE1 3.4Å; V241-H274 PolarHBondContact N-O 3.3Å; V241-H274 PolarHBondContact O-N 3.1Å; V241-H274 VanDerWaalsContact O-N 3.1Å; V241-N277 WeakPolarHBondContact CG2-O 3.49Å; V241-E280 HydrophobicContact CG1-CB 3.73Å; V241-E280 HydrophobicContact CG2-CB 4.24Å
242H95.9Very high82.8Confident1 Ų136.1 Ų36.11%0.00519%0.193CC..  trans-61.9-40.2176.7-176.5-78.1000111.4D244 L245 I267 I268 D269 W270 L272 V273 D281H242-D244 PolarHBondContact CE1-O 3.01Å; H242-D244 VanDerWaalsContact CE1-O 3.3Å; H242-D244 PolarHBondContact ND1-N 3.27Å; H242-D244 PolarHBondContact ND1-O 3.47Å; H242-D244 PolarHBondContact O-N 3.37Å; H242-D244 VanDerWaalsContact O-N 3.1Å; H242-L245 HydrophobicContact CB-CB 4.12Å; H242-L245 PolarHBondContact ND1-N 3.08Å; H242-I267 VanDerWaalsContact CD2-CG2 3.42Å; H242-I267 WeakPolarHBondContact CD2-CG2 3.49Å; H242-I267 WeakPolarHBondContact NE2-CG2 3.45Å; H242-I268 PolarHBondContact CE1-O 2.94Å; H242-I268 PolarHBondContact NE2-O 2.71Å; H242-D269 PolarHBondContact CE1-O 2.77Å; H242-D269 PolarHBondContact NE2-O 3.06Å; H242-W270 HydrophobicContact CB-CE3 4.32Å; H242-W270 HydrophobicContact CB-CZ3 4.05Å; H242-W270 AromaticContact CD2-CD2 3.47Å; H242-W270 VanDerWaalsContact CD2-CD2 3.47Å; H242-W270 AromaticContact CD2-CE2 3.68Å; H242-W270 AromaticContact CD2-CE3 3.47Å; H242-W270 VanDerWaalsContact CD2-CE3 3.47Å; H242-W270 AromaticContact CD2-CH2 3.87Å; H242-W270 AromaticContact CD2-CZ2 3.88Å; H242-W270 AromaticContact CD2-CZ3 3.67Å; H242-W270 AromaticContact NE2-CD2 3.95Å; H242-L272 CarbonylContact O-C 3.52Å; H242-V273 PolarHBondContact O-N 3.22Å; H242-D281 WeakPolarHBondContact CB-OD2 3.44Å; H242-D281 PolarHBondContact N-OD2 3.48Å
243G90.7Very high85.1Confident14 Ų1436.7 Ų36.714%0.14420%0.196CC..SBendtrans84-24.5171.400000114.4V241 D281V241-G243 VanDerWaalsContact C-N 3.3Å; V241-G243 PolarHBondContact O-N 3.29Å; G243-D281 PolarHBondContact N-OD1 3.25Å; G243-D281 VanDerWaalsContact N-OD1 3.08Å
244D91Very high87.3Confident28 Ų2831.4 Ų31.415%0.1518%0.179CC..  trans-128.846171.9-161.431.2000112.4H242 W246 N249 L272H242-D244 PolarHBondContact CE1-O 3.01Å; H242-D244 VanDerWaalsContact CE1-O 3.3Å; H242-D244 PolarHBondContact ND1-N 3.27Å; H242-D244 PolarHBondContact ND1-O 3.47Å; H242-D244 PolarHBondContact O-N 3.37Å; H242-D244 VanDerWaalsContact O-N 3.1Å; D244-W246 VanDerWaalsContact CG-NE1 3.31Å; D244-W246 PolarHBondContact O-N 3.28Å; D244-W246 VanDerWaalsContact O-N 3.07Å; D244-W246 PolarHBondContact OD1-NE1 2.76Å; D244-W246 PolarHBondContact OD2-NE1 2.94Å; D244-N249 PolarHBondContact O-ND2 3.1Å; D244-N249 PolarHBondContact OD2-ND2 3.48Å; D244-L272 HydrophobicContact CB-CB 4.21Å; D244-L272 HydrophobicContact CB-CD1 3.8Å; D244-L272 HydrophobicContact CB-CG 4.02Å
245L95Very high89.6Confident0 Ų032.4 Ų32.40%018%0.182CC..  trans-84.281.6-175.4-168.965.4000112.2I166 L170 H242 I250 I267 D281 I284 I285I166-L245 HydrophobicContact CG2-CD2 4.02Å; L170-L245 HydrophobicContact CD1-CD2 3.85Å; L170-L245 HydrophobicContact CD2-CD2 3.93Å; L170-L245 HydrophobicContact CG-CD2 4.22Å; H242-L245 HydrophobicContact CB-CB 4.12Å; H242-L245 PolarHBondContact ND1-N 3.08Å; L245-I250 HydrophobicContact CD1-CD1 4.09Å; L245-I250 HydrophobicContact CD1-CG1 3.92Å; L245-I250 HydrophobicContact CG-CD1 4.27Å; L245-I267 HydrophobicContact CD1-CB 4.49Å; L245-I267 HydrophobicContact CD1-CD1 3.84Å; L245-I267 HydrophobicContact CD1-CG1 4.08Å; L245-I267 HydrophobicContact CD1-CG2 3.6Å; L245-D281 HydrophobicContact CB-CB 4.14Å; L245-D281 HydrophobicContact CD2-CB 3.8Å; L245-I284 VanDerWaalsContact O-CG2 3.27Å; L245-I284 WeakPolarHBondContact O-CG2 3.46Å; L245-I285 HydrophobicContact CB-CG2 4.32Å; L245-I285 HydrophobicContact CD2-CG2 3.8Å; L245-I285 HydrophobicContact CG-CG2 3.74Å; L245-I285 WeakPolarHBondContact O-CG2 3.39Å
246W92.6Very high91.8Very high37 Ų3734.6 Ų34.614%0.1418%0.179CC..SBendtrans-127.1172.7179.466-31.2000112.5L154 D244 N248 N249 I250 W288 C289 L348 A352L154-W246 HydrophobicContact CD1-CE3 3.93Å; L154-W246 HydrophobicContact CD2-CE3 3.9Å; L154-W246 HydrophobicContact CD2-CZ3 3.94Å; L154-W246 HydrophobicContact CG-CE3 4.39Å; D244-W246 VanDerWaalsContact CG-NE1 3.31Å; D244-W246 PolarHBondContact O-N 3.28Å; D244-W246 VanDerWaalsContact O-N 3.07Å; D244-W246 PolarHBondContact OD1-NE1 2.76Å; D244-W246 PolarHBondContact OD2-NE1 2.94Å; W246-N248 HydrophobicContact CD2-CB 4.44Å; W246-N248 HydrophobicContact CZ2-CB 4.4Å; W246-N248 PolarHBondContact O-N 3.29Å; W246-N249 VanDerWaalsContact CD1-ND2 3.28Å; W246-N249 PolarHBondContact NE1-ND2 3.24Å; W246-N249 PolarHBondContact O-N 3.47Å; W246-I250 WeakPolarHBondContact O-CG1 3.37Å; W246-W288 HydrophobicContact CE3-CE3 4.33Å; W246-W288 HydrophobicContact CE3-CZ3 4.49Å; W246-C289 VanDerWaalsContact CA-SG 3.59Å; W246-L348 HydrophobicContact CH2-CD2 4.38Å; W246-L348 HydrophobicContact CZ3-CD2 3.79Å; W246-A352 HydrophobicContact CE3-CB 4.42Å; W246-A352 HydrophobicContact CH2-CB 3.5Å; W246-A352 VanDerWaalsContact CH2-CB 3.5Å; W246-A352 HydrophobicContact CZ3-CB 3.26Å
247T93Very high93.4Very high1 Ų139.3 Ų39.31%0.00620%0.2CC..G310 helixtrans-52.3-34.9-170.854.60000114.2L151 L154 L158 N249 I250 C289L151-T247 HydrophobicContact CD1-CG2 3.57Å; L154-T247 WeakPolarHBondContact CA-OG1 3.11Å; L154-T247 HydrophobicContact CD1-CG2 4.41Å; L158-T247 HydrophobicContact CG-CG2 4.41Å; T247-N249 PolarHBondContact O-N 3.41Å; T247-I250 PolarHBondContact O-N 3.49Å; T247-C289 HydrophobicContact CG2-CB 3.65Å; T247-C289 PolarHBondContact N-SG 2.96Å
248N90.6Very high94.6Very high49 Ų4938.9 Ų38.926%0.26221%0.205SC..G310 helixtrans-71.6-14.9180-70.7-13.2000114Q150 W246Q150-N248 VanDerWaalsContact NE2-C 3.26Å; Q150-N248 PolarHBondContact NE2-O 2.98Å; W246-N248 HydrophobicContact CD2-CB 4.44Å; W246-N248 HydrophobicContact CZ2-CB 4.4Å; W246-N248 PolarHBondContact O-N 3.29Å
249N95.3Very high95Very high9 Ų942.2 Ų42.25%0.04822%0.215CC..G310 helixtrans-106.88.5179.5-71.1-13.8000112.4D244 W246 T247 I267 I268 D269D244-N249 PolarHBondContact O-ND2 3.1Å; D244-N249 PolarHBondContact OD2-ND2 3.48Å; W246-N249 VanDerWaalsContact CD1-ND2 3.28Å; W246-N249 PolarHBondContact NE1-ND2 3.24Å; W246-N249 PolarHBondContact O-N 3.47Å; T247-N249 PolarHBondContact O-N 3.41Å; N249-I267 WeakPolarHBondContact O-CA 3.49Å; N249-I268 HydrophobicContact CB-CG1 4.44Å; N249-I268 WeakPolarHBondContact CB-O 3.49Å; N249-I268 PolarHBondContact O-N 3.36Å; N249-D269 WeakPolarHBondContact OD1-CB 3.29Å
250I97.8Very high95.2Very high0 Ų043.6 Ų43.60%022%0.224CC..EExtended strand (participates in β ladder)trans-121.1126.7-175.6-58.7168000109.6Q150 I166 L245 W246 T247 F252 L264 I285Q150-I250 WeakPolarHBondContact CG-O 3.18Å; Q150-I250 PolarHBondContact NE2-O 2.9Å; I166-I250 HydrophobicContact CD1-CD1 3.83Å; I166-I250 HydrophobicContact CD1-CG2 4.39Å; I166-I250 HydrophobicContact CG1-CD1 4.41Å; I166-I250 HydrophobicContact CG1-CG2 4.42Å; L245-I250 HydrophobicContact CD1-CD1 4.09Å; L245-I250 HydrophobicContact CD1-CG1 3.92Å; L245-I250 HydrophobicContact CG-CD1 4.27Å; W246-I250 WeakPolarHBondContact O-CG1 3.37Å; T247-I250 PolarHBondContact O-N 3.49Å; I250-F252 HydrophobicContact CB-CE2 4.43Å; I250-F252 HydrophobicContact CG2-CD2 4.24Å; I250-F252 HydrophobicContact CG2-CE1 4.16Å; I250-F252 HydrophobicContact CG2-CE2 3.57Å; I250-F252 HydrophobicContact CG2-CZ 3.52Å; I250-L264 HydrophobicContact CG2-CD1 3.5Å; I250-I285 HydrophobicContact CD1-CG2 4.43Å
251F98.3Very high95.3Very high23 Ų2344.7 Ų44.710%0.10123%0.231CC..EExtended strand (participates in β ladder)trans-109.7132.4173.3-81.1-99.3000109.9L144 A148 Q150 A265 A266 I268L144-F251 HydrophobicContact CB-CD1 3.83Å; L144-F251 HydrophobicContact CB-CE1 3.81Å; L144-F251 HydrophobicContact CB-CG 4.27Å; L144-F251 HydrophobicContact CB-CZ 4.26Å; L144-F251 HydrophobicContact CD1-CB 4.14Å; L144-F251 HydrophobicContact CD1-CD1 4.13Å; L144-F251 HydrophobicContact CD1-CD2 3.66Å; L144-F251 HydrophobicContact CD1-CE1 4.46Å; L144-F251 HydrophobicContact CD1-CE2 4.04Å; L144-F251 HydrophobicContact CD1-CG 3.71Å; L144-F251 HydrophobicContact CD1-CZ 4.41Å; A148-F251 HydrophobicContact CB-CB 3.86Å; A148-F251 HydrophobicContact CB-CD1 3.76Å; A148-F251 HydrophobicContact CB-CG 4.25Å; Q150-F251 HydrophobicContact CG-CD1 3.54Å; Q150-F251 HydrophobicContact CG-CD2 3.89Å; Q150-F251 HydrophobicContact CG-CE1 3.43Å; Q150-F251 VanDerWaalsContact CG-CE1 3.43Å; Q150-F251 HydrophobicContact CG-CE2 3.76Å; Q150-F251 HydrophobicContact CG-CG 3.78Å; Q150-F251 HydrophobicContact CG-CZ 3.55Å; F251-A265 HydrophobicContact CB-CB 4.37Å; F251-A265 WeakPolarHBondContact O-CA 3.49Å; F251-A265 WeakPolarHBondContact O-CB 3.47Å; F251-A265 PolarHBondContact O-N 3.1Å; F251-A266 HydrophobicContact CB-CB 4.44Å; F251-A266 PolarHBondContact N-O 3.38Å; F251-A266 PolarHBondContact O-N 2.77Å; F251-A266 VanDerWaalsContact O-N 3.17Å; F251-I268 HydrophobicContact CD2-CD1 4.38Å; F251-I268 HydrophobicContact CD2-CG1 4.25Å; F251-I268 HydrophobicContact CD2-CG2 4.26Å; F251-I268 HydrophobicContact CE2-CD1 3.62Å; F251-I268 HydrophobicContact CE2-CG1 3.98Å; F251-I268 HydrophobicContact CE2-CG2 4.34Å
252F98.6Very high95.5Very high1 Ų148.5 Ų48.50%0.00425%0.252CS..EExtended strand (participates in β ladder)trans-106.9154.5172.9-64-80.3000110.9A148 V149 L158 Q162 I166 I250 C260 Q263A148-F252 CarbonylContact C-O 3.5Å; A148-F252 WeakPolarHBondContact CA-O 3.47Å; A148-F252 WeakPolarHBondContact CB-O 3.48Å; V149-F252 WeakPolarHBondContact CG2-O 3.04Å; V149-F252 PolarHBondContact N-O 3.08Å; V149-F252 PolarHBondContact O-N 3.09Å; L158-F252 HydrophobicContact CD2-CE2 3.76Å; L158-F252 HydrophobicContact CD2-CZ 3.56Å; Q162-F252 HydrophobicContact CB-CD1 4.49Å; Q162-F252 HydrophobicContact CB-CE1 3.61Å; Q162-F252 HydrophobicContact CB-CZ 3.69Å; Q162-F252 HydrophobicContact CG-CD1 3.9Å; Q162-F252 HydrophobicContact CG-CE1 3.49Å; Q162-F252 VanDerWaalsContact CG-CE1 3.49Å; Q162-F252 HydrophobicContact CG-CE2 4.33Å; Q162-F252 HydrophobicContact CG-CG 4.49Å; Q162-F252 HydrophobicContact CG-CZ 3.73Å; I166-F252 HydrophobicContact CD1-CE1 4.46Å; I166-F252 HydrophobicContact CD1-CZ 3.99Å; I166-F252 HydrophobicContact CG1-CE1 4.49Å; I166-F252 HydrophobicContact CG1-CZ 4.42Å; I250-F252 HydrophobicContact CB-CE2 4.43Å; I250-F252 HydrophobicContact CG2-CD2 4.24Å; I250-F252 HydrophobicContact CG2-CE1 4.16Å; I250-F252 HydrophobicContact CG2-CE2 3.57Å; I250-F252 HydrophobicContact CG2-CZ 3.52Å; F252-C260 HydrophobicContact CB-CB 4.03Å; F252-C260 HydrophobicContact CD2-CB 4.24Å; F252-C260 HydrophobicContact CG-CB 4.35Å; F252-Q263 CarbonylContact C-O 3.58Å; F252-Q263 WeakPolarHBondContact CA-O 3.11Å
253K98.3Very high95.6Very high95 Ų9553.8 Ų53.841%0.41328%0.276SS..EExtended strand (participates in β ladder)trans-67143.3169.6-63.5-175.6-171.2168.50109.7S261 Q263 A265K253-S261 VanDerWaalsContact O-CB 3.25Å; K253-S261 WeakPolarHBondContact O-CB 3.19Å; K253-S261 PolarHBondContact O-N 3.48Å; K253-S261 PolarHBondContact O-OG 2.93Å; K253-Q263 HydrophobicContact CB-CB 4.24Å; K253-Q263 HydrophobicContact CD-CB 4.03Å; K253-Q263 HydrophobicContact CG-CB 4.24Å; K253-Q263 PolarHBondContact N-O 3.39Å; K253-Q263 VanDerWaalsContact NZ-OE1 3.17Å; K253-A265 HydrophobicContact CG-CB 3.89Å
254P97.8Very high96Very high59 Ų5954 Ų5438%0.38327%0.274SS..EExtended strand (participates in β ladder)trans-69.2140.9175.129-34.2000110.9K147 V149 K259K147-P254 WeakPolarHBondContact O-CD 3.39Å; V149-P254 HydrophobicContact CG1-CB 4.34Å; V149-P254 HydrophobicContact CG2-CB 4.24Å; P254-K259 CarbonylContact C-O 3.53Å; P254-K259 WeakPolarHBondContact CA-O 3.33Å
255N96.7Very high96.3Very high62 Ų6254 Ų5433%0.33228%0.278SS..  trans-78.4-179.1164.969.224.1000110.6H257 G258 K259N255-H257 PolarHBondContact O-N 3.13Å; N255-H257 WeakPolarHBondContact OD1-CA 3.11Å; N255-H257 WeakPolarHBondContact OD1-CB 3.47Å; N255-H257 PolarHBondContact OD1-N 2.78Å; N255-G258 PolarHBondContact O-N 2.81Å; N255-G258 PolarHBondContact OD1-N 3.02Å; N255-K259 VanDerWaalsContact CG-O 3.23Å; N255-K259 PolarHBondContact N-O 3.38Å; N255-K259 PolarHBondContact OD1-N 3.09Å; N255-K259 VanDerWaalsContact OD1-N 3.14Å; N255-K259 PolarHBondContact OD1-O 2.99Å
256K95.4Very high96.5Very high192 Ų19254.1 Ų54.184%0.83528%0.279SS*.THydrogen-bonded Turntrans-57.9-13.1179.168.6-177-179-177.90115.4
257H94.9Very high96.7Very high139 Ų13952.4 Ų52.464%0.64427%0.272SS*.THydrogen-bonded Turntrans-107.29178.3-57.5-63.5000113.1N255 K259N255-H257 PolarHBondContact O-N 3.13Å; N255-H257 WeakPolarHBondContact OD1-CA 3.11Å; N255-H257 WeakPolarHBondContact OD1-CB 3.47Å; N255-H257 PolarHBondContact OD1-N 2.78Å; H257-K259 VanDerWaalsContact C-N 3.25Å; H257-K259 PolarHBondContact O-N 3.28Å
258G94.6Very high96.9Very high45 Ų4554 Ų5446%0.46428%0.28SS..SBendtrans71.416.3-178.700000114.3N255N255-G258 PolarHBondContact O-N 2.81Å; N255-G258 PolarHBondContact OD1-N 3.02Å
259K95.5Very high97.1Very high131 Ų13152.2 Ų52.257%0.5727%0.271SS*.SBendtrans-104.2166.1175.5-61-62.5-174.91740110.6P254 N255 H257 S261P254-K259 CarbonylContact C-O 3.53Å; P254-K259 WeakPolarHBondContact CA-O 3.33Å; N255-K259 VanDerWaalsContact CG-O 3.23Å; N255-K259 PolarHBondContact N-O 3.38Å; N255-K259 PolarHBondContact OD1-N 3.09Å; N255-K259 VanDerWaalsContact OD1-N 3.14Å; N255-K259 PolarHBondContact OD1-O 2.99Å; H257-K259 VanDerWaalsContact C-N 3.25Å; H257-K259 PolarHBondContact O-N 3.28Å; K259-S261 PolarHBondContact O-N 3.14Å
260C97.4Very high97.1Very high28 Ų2851.8 Ų51.819%0.18927%0.269CS..EExtended strand (participates in β ladder)trans-54128.1178.2-66.80000111V149 Q150 F252V149-C260 HydrophobicContact CG2-CB 4.3Å; Q150-C260 PolarHBondContact O-SG 3.29Å; F252-C260 HydrophobicContact CB-CB 4.03Å; F252-C260 HydrophobicContact CD2-CB 4.24Å; F252-C260 HydrophobicContact CG-CB 4.35Å
261S98Very high96.8Very high24 Ų2452.5 Ų52.517%0.16827%0.272CS..EExtended strand (participates in β ladder)trans-85.8-174.4161.371.60000110.3Q162 K253 K259 Q263Q162-S261 PolarHBondContact NE2-O 2.94Å; Q162-S261 VanDerWaalsContact NE2-O 3.09Å; K253-S261 VanDerWaalsContact O-CB 3.25Å; K253-S261 WeakPolarHBondContact O-CB 3.19Å; K253-S261 PolarHBondContact O-N 3.48Å; K253-S261 PolarHBondContact O-OG 2.93Å; K259-S261 PolarHBondContact O-N 3.14Å; S261-Q263 VanDerWaalsContact C-N 3.29Å; S261-Q263 PolarHBondContact OG-N 3.14Å; S261-Q263 VanDerWaalsContact OG-N 3.17Å
262D98Very high96.5Very high80 Ų8053.6 Ų53.643%0.42828%0.279SS..EExtended strand (participates in β ladder)trans-84.71.1171.8-64.3-29.8000113.2T159 S165T159-D262 PolarHBondContact OG1-OD1 3.14Å; S165-D262 WeakPolarHBondContact CB-O 3.41Å; S165-D262 PolarHBondContact OG-O 3.08Å; S165-D262 VanDerWaalsContact OG-O 3.12Å
263Q98.2Very high96.2Very high112 Ų11253.5 Ų53.552%0.52328%0.278SS..EExtended strand (participates in β ladder)trans-95.1115.9-178.8-62.9-173.620.600111.1F252 K253 S261 A265F252-Q263 CarbonylContact C-O 3.58Å; F252-Q263 WeakPolarHBondContact CA-O 3.11Å; K253-Q263 HydrophobicContact CB-CB 4.24Å; K253-Q263 HydrophobicContact CD-CB 4.03Å; K253-Q263 HydrophobicContact CG-CB 4.24Å; K253-Q263 PolarHBondContact N-O 3.39Å; K253-Q263 VanDerWaalsContact NZ-OE1 3.17Å; S261-Q263 VanDerWaalsContact C-N 3.29Å; S261-Q263 PolarHBondContact OG-N 3.14Å; S261-Q263 VanDerWaalsContact OG-N 3.17Å; Q263-A265 PolarHBondContact O-N 3.43Å
264L98.5Very high95.9Very high20 Ų2050.5 Ų50.511%0.10527%0.266CS..EExtended strand (participates in β ladder)trans-55.7132.9168.6-174.568.8000110.5P120 S165 I166 A169 I250 I267P120-L264 HydrophobicContact CG-CD2 4.13Å; S165-L264 PolarHBondContact OG-N 3.49Å; I166-L264 HydrophobicContact CG1-CD1 4.36Å; A169-L264 HydrophobicContact CB-CD2 3.44Å; A169-L264 VanDerWaalsContact CB-CD2 3.44Å; I250-L264 HydrophobicContact CG2-CD1 3.5Å; L264-I267 HydrophobicContact CD1-CG1 4.2Å; L264-I267 HydrophobicContact CD2-CD1 4.2Å; L264-I267 HydrophobicContact CD2-CG1 4.25Å
265A98.3Very high95.7Very high28 Ų2849.6 Ų49.623%0.23126%0.259CS..EExtended strand (participates in β ladder)trans-103.4-46.5173.600000111.5P120 A148 F251 K253 Q263P120-A265 WeakPolarHBondContact CB-O 3.5Å; A148-A265 HydrophobicContact CB-CB 3.65Å; F251-A265 HydrophobicContact CB-CB 4.37Å; F251-A265 WeakPolarHBondContact O-CA 3.49Å; F251-A265 WeakPolarHBondContact O-CB 3.47Å; F251-A265 PolarHBondContact O-N 3.1Å; K253-A265 HydrophobicContact CG-CB 3.89Å; Q263-A265 PolarHBondContact O-N 3.43Å
266A98.1Very high95.3Very high1 Ų147.1 Ų47.11%0.00825%0.248CC..EExtended strand (participates in β ladder)trans-163.6154.6179.300000112.1P120 L144 F251P120-A266 CarbonylContact O-C 3.52Å; P120-A266 WeakPolarHBondContact O-CA 3.43Å; L144-A266 HydrophobicContact CD1-CB 3.59Å; L144-A266 HydrophobicContact CD2-CB 4.37Å; F251-A266 HydrophobicContact CB-CB 4.44Å; F251-A266 PolarHBondContact N-O 3.38Å; F251-A266 PolarHBondContact O-N 2.77Å; F251-A266 VanDerWaalsContact O-N 3.17Å
267I98.1Very high94.9Very high1 Ų139 Ų391%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-109.6136.1164.6-62.9171.1000108.1V119 P120 H242 L245 N249 L264 W270V119-I267 HydrophobicContact CG2-CD1 3.86Å; P120-I267 PolarHBondContact O-N 3.31Å; H242-I267 VanDerWaalsContact CD2-CG2 3.42Å; H242-I267 WeakPolarHBondContact CD2-CG2 3.49Å; H242-I267 WeakPolarHBondContact NE2-CG2 3.45Å; L245-I267 HydrophobicContact CD1-CB 4.49Å; L245-I267 HydrophobicContact CD1-CD1 3.84Å; L245-I267 HydrophobicContact CD1-CG1 4.08Å; L245-I267 HydrophobicContact CD1-CG2 3.6Å; N249-I267 WeakPolarHBondContact O-CA 3.49Å; L264-I267 HydrophobicContact CD1-CG1 4.2Å; L264-I267 HydrophobicContact CD2-CD1 4.2Å; L264-I267 HydrophobicContact CD2-CG1 4.25Å; I267-W270 HydrophobicContact CB-CZ2 4.02Å; I267-W270 HydrophobicContact CG2-CH2 4.42Å; I267-W270 HydrophobicContact CG2-CZ2 3.73Å; I267-W270 PolarHBondContact O-NE1 3.21Å
268I96.4Very high94.7Very high34 Ų3432.7 Ų32.717%0.17419%0.185CC..  trans-128.1173-177.365.1152.8000111.5A122 L144 H242 N249 F251A122-I268 HydrophobicContact CB-CG2 3.93Å; L144-I268 HydrophobicContact CD1-CG2 3.73Å; H242-I268 PolarHBondContact CE1-O 2.94Å; H242-I268 PolarHBondContact NE2-O 2.71Å; N249-I268 HydrophobicContact CB-CG1 4.44Å; N249-I268 WeakPolarHBondContact CB-O 3.49Å; N249-I268 PolarHBondContact O-N 3.36Å; F251-I268 HydrophobicContact CD2-CD1 4.38Å; F251-I268 HydrophobicContact CD2-CG1 4.25Å; F251-I268 HydrophobicContact CD2-CG2 4.26Å; F251-I268 HydrophobicContact CE2-CD1 3.62Å; F251-I268 HydrophobicContact CE2-CG1 3.98Å; F251-I268 HydrophobicContact CE2-CG2 4.34Å
269D94.3Very high94.6Very high12 Ų1230.5 Ų30.56%0.06416%0.163CC..  trans62.762.6175.3-157.33.6000114K69 H242 N249 Q271K69-D269 IonicContact NZ-OD1 3.26Å; K69-D269 PolarHBondContact NZ-OD1 3.13Å; H242-D269 PolarHBondContact CE1-O 2.77Å; H242-D269 PolarHBondContact NE2-O 3.06Å; N249-D269 WeakPolarHBondContact OD1-CB 3.29Å; D269-Q271 VanDerWaalsContact CG-NE2 3.33Å; D269-Q271 PolarHBondContact O-N 3.41Å; D269-Q271 WeakPolarHBondContact OD1-CB 3.34Å; D269-Q271 WeakPolarHBondContact OD1-CG 3.48Å; D269-Q271 PolarHBondContact OD1-NE2 2.52Å; D269-Q271 PolarHBondContact OD2-NE2 3.08Å
270W95.5Very high94.4Very high1 Ų125.3 Ų25.30%0.00414%0.14CC..G310 helixtrans-79.727.8-179.2-64.280.8000112.9E104 V107 F111 V119 I121 L173 H242 I267 L272 V273E104-W270 HydrophobicContact CG-CB 4.18Å; V107-W270 HydrophobicContact CB-CB 4.28Å; V107-W270 HydrophobicContact CG1-CB 4.07Å; V107-W270 HydrophobicContact CG1-CD2 3.98Å; V107-W270 HydrophobicContact CG1-CE3 4.07Å; V107-W270 HydrophobicContact CG1-CG 3.99Å; V107-W270 HydrophobicContact CG2-CB 4.41Å; F111-W270 HydrophobicContact CE2-CD2 4.36Å; F111-W270 HydrophobicContact CE2-CE3 4.44Å; F111-W270 HydrophobicContact CE2-CH2 4.19Å; F111-W270 HydrophobicContact CE2-CZ2 4.08Å; F111-W270 HydrophobicContact CE2-CZ3 4.36Å; F111-W270 HydrophobicContact CZ-CH2 4.33Å; F111-W270 HydrophobicContact CZ-CZ3 4.34Å; V119-W270 HydrophobicContact CG1-CH2 3.72Å; V119-W270 HydrophobicContact CG1-CZ2 3.7Å; V119-W270 HydrophobicContact CG2-CH2 4.49Å; V119-W270 HydrophobicContact CG2-CZ2 4.5Å; I121-W270 HydrophobicContact CG2-CZ2 4.02Å; L173-W270 HydrophobicContact CD2-CH2 4.04Å; L173-W270 HydrophobicContact CD2-CZ3 4.17Å; H242-W270 HydrophobicContact CB-CE3 4.32Å; H242-W270 HydrophobicContact CB-CZ3 4.05Å; H242-W270 AromaticContact CD2-CD2 3.47Å; H242-W270 VanDerWaalsContact CD2-CD2 3.47Å; H242-W270 AromaticContact CD2-CE2 3.68Å; H242-W270 AromaticContact CD2-CE3 3.47Å; H242-W270 VanDerWaalsContact CD2-CE3 3.47Å; H242-W270 AromaticContact CD2-CH2 3.87Å; H242-W270 AromaticContact CD2-CZ2 3.88Å; H242-W270 AromaticContact CD2-CZ3 3.67Å; H242-W270 AromaticContact NE2-CD2 3.95Å; I267-W270 HydrophobicContact CB-CZ2 4.02Å; I267-W270 HydrophobicContact CG2-CH2 4.42Å; I267-W270 HydrophobicContact CG2-CZ2 3.73Å; I267-W270 PolarHBondContact O-NE1 3.21Å; W270-L272 PolarHBondContact O-N 3.2Å; W270-V273 HydrophobicContact CE3-CG2 4.36Å; W270-V273 VanDerWaalsContact O-CB 3.3Å; W270-V273 WeakPolarHBondContact O-CB 3.27Å; W270-V273 WeakPolarHBondContact O-CG1 3.2Å; W270-V273 PolarHBondContact O-N 3.11Å
271Q92.6Very high94.3Very high15 Ų1524 Ų247%0.0713%0.132CC..G310 helixtrans-76.1-20-172.476.1-173.5-28.300114.2T100 V103 E104 D269T100-Q271 WeakPolarHBondContact CA-O 3.16Å; T100-Q271 WeakPolarHBondContact CB-O 3Å; T100-Q271 WeakPolarHBondContact CG2-O 3.16Å; V103-Q271 WeakPolarHBondContact CG2-O 3.44Å; E104-Q271 HydrophobicContact CB-CB 4.39Å; D269-Q271 VanDerWaalsContact CG-NE2 3.33Å; D269-Q271 PolarHBondContact O-N 3.41Å; D269-Q271 WeakPolarHBondContact OD1-CB 3.34Å; D269-Q271 WeakPolarHBondContact OD1-CG 3.48Å; D269-Q271 PolarHBondContact OD1-NE2 2.52Å; D269-Q271 PolarHBondContact OD2-NE2 3.08Å
272L90.9Very high94.2Very high45 Ų4522.9 Ų22.924%0.23612%0.124CC..G310 helixtrans-100.915.4174.6-58.7-163.3000112.9F96 T100 H242 D244 W270 H274F96-L272 HydrophobicContact CE2-CD2 3.46Å; F96-L272 VanDerWaalsContact CE2-CD2 3.46Å; F96-L272 HydrophobicContact CZ-CD2 3.78Å; T100-L272 HydrophobicContact CG2-CD2 3.85Å; H242-L272 CarbonylContact O-C 3.52Å; D244-L272 HydrophobicContact CB-CB 4.21Å; D244-L272 HydrophobicContact CB-CD1 3.8Å; D244-L272 HydrophobicContact CB-CG 4.02Å; W270-L272 PolarHBondContact O-N 3.2Å; L272-H274 PolarHBondContact O-N 2.91Å; L272-H274 PolarHBondContact O-ND1 2.57Å
273V93.8Very high94Very high0 Ų019.1 Ų19.10%010%0.103CC..  trans-60.2135.6179.769.10000111.1V103 V107 F188 L240 V241 H242 W270V103-V273 HydrophobicContact CB-CG1 3.68Å; V103-V273 HydrophobicContact CG2-CG1 3.82Å; V107-V273 HydrophobicContact CG2-CB 3.8Å; V107-V273 HydrophobicContact CG2-CG1 3.36Å; V107-V273 HydrophobicContact CG2-CG2 3.58Å; F188-V273 HydrophobicContact CD1-CG1 4.21Å; F188-V273 HydrophobicContact CE1-CG1 3.77Å; L240-V273 HydrophobicContact CD1-CG2 3.4Å; L240-V273 VanDerWaalsContact CD1-CG2 3.4Å; L240-V273 HydrophobicContact CD2-CG2 4Å; L240-V273 HydrophobicContact CG-CG2 3.54Å; V241-V273 VanDerWaalsContact O-CA 3.24Å; V241-V273 WeakPolarHBondContact O-CA 3.43Å; V241-V273 WeakPolarHBondContact O-CG2 3.32Å; H242-V273 PolarHBondContact O-N 3.22Å; W270-V273 HydrophobicContact CE3-CG2 4.36Å; W270-V273 VanDerWaalsContact O-CB 3.3Å; W270-V273 WeakPolarHBondContact O-CB 3.27Å; W270-V273 WeakPolarHBondContact O-CG1 3.2Å; W270-V273 PolarHBondContact O-N 3.11Å
274H91.7Very high93.9Very high32 Ų3214.2 Ų14.215%0.1488%0.081CC..EExtended strand (participates in β ladder)trans-155.7170.2-179.261.4-76.8000111.1D192 I195 V241 L272 E280D192-H274 WeakPolarHBondContact OD1-CA 3.45Å; D192-H274 VanDerWaalsContact OD1-CB 3.26Å; D192-H274 WeakPolarHBondContact OD1-CB 3.49Å; I195-H274 HydrophobicContact CD1-CB 4.28Å; V241-H274 VanDerWaalsContact CG1-CE1 3.4Å; V241-H274 WeakPolarHBondContact CG1-CE1 3.4Å; V241-H274 PolarHBondContact N-O 3.3Å; V241-H274 PolarHBondContact O-N 3.1Å; V241-H274 VanDerWaalsContact O-N 3.1Å; L272-H274 PolarHBondContact O-N 2.91Å; L272-H274 PolarHBondContact O-ND1 2.57Å; H274-E280 IonicContact NE2-OE2 2.72Å; H274-E280 PolarHBondContact NE2-OE2 2.75Å
275T91.9Very high93.8Very high39 Ų3913.3 Ų13.324%0.2398%0.076CC..EExtended strand (participates in β ladder)trans-79.8123.8168.974.10000110W184 K185 F188 D192W184-T275 HydrophobicContact CZ3-CG2 3.98Å; K185-T275 HydrophobicContact CG-CG2 4.42Å; F188-T275 HydrophobicContact CB-CG2 4.34Å; D192-T275 PolarHBondContact OD1-N 3.04Å; D192-T275 VanDerWaalsContact OD1-N 3.16Å; D192-T275 VanDerWaalsContact OD2-CB 3.31Å; D192-T275 WeakPolarHBondContact OD2-CB 3.21Å; D192-T275 VanDerWaalsContact OD2-CG2 3.24Å; D192-T275 WeakPolarHBondContact OD2-CG2 3.12Å; D192-T275 PolarHBondContact OD2-OG1 3.19Å
276G89Confident93.8Very high10 Ų1012 Ų1210%0.1037%0.065CC..EExtended strand (participates in β ladder)trans-152.8-162.9-174.800000112.2T238 V239 E280T238-G276 CarbonylContact C-O 3.6Å; T238-G276 VanDerWaalsContact CA-O 3.24Å; T238-G276 WeakPolarHBondContact CA-O 3.46Å; V239-G276 PolarHBondContact N-O 2.82Å; V239-G276 PolarHBondContact O-N 2.79Å; G276-E280 WeakPolarHBondContact CA-OE1 3.19Å
277N87.6Confident93.6Very high21 Ų2111.9 Ų11.911%0.1126%0.064CC..EExtended strand (participates in β ladder)trans-103.6157.617974.783.8000113.1L236 V241 F279 E280L236-N277 HydrophobicContact CB-CB 3.8Å; L236-N277 HydrophobicContact CD1-CB 3.99Å; V241-N277 WeakPolarHBondContact CG2-O 3.49Å; N277-F279 PolarHBondContact O-N 2.86Å; N277-F279 PolarHBondContact OD1-N 2.88Å; N277-F279 VanDerWaalsContact OD1-N 3.08Å; N277-E280 PolarHBondContact N-OE1 3.31Å; N277-E280 WeakPolarHBondContact ND2-CG 3.49Å; N277-E280 PolarHBondContact ND2-OE1 3.45Å; N277-E280 WeakPolarHBondContact O-CG 3.39Å; N277-E280 PolarHBondContact O-N 3.25Å
278I91.3Very high93.5Very high7 Ų712.7 Ų12.74%0.0367%0.067CC..THydrogen-bonded Turntrans-57.5-20.5-174.859.7170.1000115.4H174 V239 L282 Y306 L326H174-I278 HydrophobicContact CB-CG2 4.39Å; H174-I278 PolarHBondContact CE1-O 3.23Å; V239-I278 HydrophobicContact CB-CG2 4.29Å; V239-I278 HydrophobicContact CG1-CG2 3.57Å; V239-I278 HydrophobicContact CG2-CB 4.37Å; V239-I278 HydrophobicContact CG2-CG2 3.73Å; I278-L282 WeakPolarHBondContact O-CD1 3.5Å; I278-Y306 HydrophobicContact CD1-CE1 4.36Å; I278-L326 HydrophobicContact CD1-CD1 3.85Å
279F91.7Very high93.6Very high0 Ų011 Ų110%06%0.059CC..THydrogen-bonded Turntrans-97.5-4-175.3-57.3-56.3000114L236 N277 L282 S283 L326 A329 F330 V333L236-F279 HydrophobicContact CD1-CD2 3.33Å; L236-F279 HydrophobicContact CD1-CE2 3.44Å; L236-F279 VanDerWaalsContact CD1-CE2 3.44Å; L236-F279 HydrophobicContact CD2-CE2 4.04Å; L236-F279 HydrophobicContact CG-CE2 4.39Å; N277-F279 PolarHBondContact O-N 2.86Å; N277-F279 PolarHBondContact OD1-N 2.88Å; N277-F279 VanDerWaalsContact OD1-N 3.08Å; F279-L282 HydrophobicContact CD1-CD1 4.09Å; F279-S283 WeakPolarHBondContact O-CB 3.27Å; F279-S283 PolarHBondContact O-N 3.21Å; F279-S283 PolarHBondContact O-OG 2.9Å; F279-L326 HydrophobicContact CE1-CD1 3.92Å; F279-L326 HydrophobicContact CE1-CD2 4.44Å; F279-L326 HydrophobicContact CE1-CG 3.85Å; F279-L326 HydrophobicContact CZ-CD1 3.43Å; F279-L326 VanDerWaalsContact CZ-CD1 3.43Å; F279-L326 HydrophobicContact CZ-CG 3.55Å; F279-L326 WeakPolarHBondContact CZ-O 3.4Å; F279-A329 HydrophobicContact CD2-CB 4.41Å; F279-A329 HydrophobicContact CE2-CB 3.57Å; F279-A329 HydrophobicContact CZ-CB 4.27Å; F279-F330 HydrophobicContact CB-CD2 4.07Å; F279-F330 HydrophobicContact CD1-CB 3.95Å; F279-F330 AromaticContact CD1-CD2 3.81Å; F279-F330 HydrophobicContact CD1-CD2 3.81Å; F279-F330 HydrophobicContact CD1-CG 4.38Å; F279-F330 HydrophobicContact CD2-CB 4.43Å; F279-F330 HydrophobicContact CE1-CB 3.99Å; F279-F330 HydrophobicContact CE2-CB 4.48Å; F279-F330 HydrophobicContact CG-CB 4.18Å; F279-F330 HydrophobicContact CG-CD2 4.07Å; F279-F330 HydrophobicContact CZ-CB 4.25Å; F279-V333 HydrophobicContact CB-CB 4.04Å; F279-V333 HydrophobicContact CB-CG1 4.11Å; F279-V333 HydrophobicContact CB-CG2 4.25Å; F279-V333 HydrophobicContact CD2-CG2 4.19Å
280E90.9Very high93.7Very high22 Ų2210.5 Ų10.510%0.1036%0.056CC..Hα-helixtrans-64.2-55.2-175.1-62.4-166.5-139.300111.2V241 H274 G276 N277 S283 I284 V333 R337V241-E280 HydrophobicContact CG1-CB 3.73Å; V241-E280 HydrophobicContact CG2-CB 4.24Å; H274-E280 IonicContact NE2-OE2 2.72Å; H274-E280 PolarHBondContact NE2-OE2 2.75Å; G276-E280 WeakPolarHBondContact CA-OE1 3.19Å; N277-E280 PolarHBondContact N-OE1 3.31Å; N277-E280 WeakPolarHBondContact ND2-CG 3.49Å; N277-E280 PolarHBondContact ND2-OE1 3.45Å; N277-E280 WeakPolarHBondContact O-CG 3.39Å; N277-E280 PolarHBondContact O-N 3.25Å; E280-S283 WeakPolarHBondContact O-CB 3.43Å; E280-S283 PolarHBondContact O-N 3.01Å; E280-I284 WeakPolarHBondContact O-CG1 3.45Å; E280-I284 PolarHBondContact O-N 2.69Å; E280-V333 HydrophobicContact CG-CG1 4.34Å; E280-R337 IonicContact OE2-CZ 3.05Å; E280-R337 IonicContact OE2-NH2 3.27Å; E280-R337 PolarHBondContact OE2-NH2 3.46Å
281D95.8Very high93.9Very high1 Ų111.9 Ų11.91%0.0057%0.066CC..Hα-helixtrans-67.3-39.1178-71.7-30.1000112.3L170 H242 G243 L245 S283 I284 I285L170-D281 HydrophobicContact CD1-CB 3.96Å; L170-D281 HydrophobicContact CD2-CB 4.22Å; H242-D281 WeakPolarHBondContact CB-OD2 3.44Å; H242-D281 PolarHBondContact N-OD2 3.48Å; G243-D281 PolarHBondContact N-OD1 3.25Å; G243-D281 VanDerWaalsContact N-OD1 3.08Å; L245-D281 HydrophobicContact CB-CB 4.14Å; L245-D281 HydrophobicContact CD2-CB 3.8Å; D281-S283 VanDerWaalsContact C-N 3.26Å; D281-S283 PolarHBondContact O-N 2.78Å; D281-I284 PolarHBondContact O-N 3.06Å; D281-I285 VanDerWaalsContact O-CG1 3.3Å; D281-I285 WeakPolarHBondContact O-CG1 3.42Å; D281-I285 PolarHBondContact O-N 3.35Å
282L96.2Very high94.1Very high0 Ų012.1 Ų12.10%07%0.07CC..Hα-helixtrans-60.7-37174.4-72.5170.1000111.9A167 L170 I278 F279 I285 L286 I303 Y306A167-L282 HydrophobicContact CB-CD2 4.19Å; L170-L282 HydrophobicContact CD1-CD2 3.76Å; L170-L282 HydrophobicContact CD1-CG 3.96Å; I278-L282 WeakPolarHBondContact O-CD1 3.5Å; F279-L282 HydrophobicContact CD1-CD1 4.09Å; L282-I285 WeakPolarHBondContact O-CG1 3.44Å; L282-L286 WeakPolarHBondContact O-CB 3.11Å; L282-L286 WeakPolarHBondContact O-CD1 3.44Å; L282-L286 VanDerWaalsContact O-CG 3.29Å; L282-L286 WeakPolarHBondContact O-CG 3.5Å; L282-L286 PolarHBondContact O-N 2.97Å; L282-I303 HydrophobicContact CB-CD1 4.12Å; L282-I303 HydrophobicContact CD1-CD1 3.83Å; L282-I303 HydrophobicContact CD2-CD1 4.41Å; L282-I303 HydrophobicContact CG-CD1 4.36Å; L282-Y306 HydrophobicContact CD1-CD1 3.84Å; L282-Y306 HydrophobicContact CD1-CD2 3.8Å; L282-Y306 HydrophobicContact CD1-CE1 3.95Å; L282-Y306 HydrophobicContact CD1-CE2 3.89Å; L282-Y306 HydrophobicContact CD1-CG 3.8Å; L282-Y306 HydrophobicContact CD2-CD2 4.17Å; L282-Y306 HydrophobicContact CD2-CG 4.45Å; L282-Y306 HydrophobicContact CG-CD2 4.48Å
283S94.3Very high94.4Very high0 Ų017.3 Ų17.30%09%0.093CC..Hα-helixtrans-69.7-44176.1-63.70000110.6F279 E280 D281 L286 T287 W334F279-S283 WeakPolarHBondContact O-CB 3.27Å; F279-S283 PolarHBondContact O-N 3.21Å; F279-S283 PolarHBondContact O-OG 2.9Å; E280-S283 WeakPolarHBondContact O-CB 3.43Å; E280-S283 PolarHBondContact O-N 3.01Å; D281-S283 VanDerWaalsContact C-N 3.26Å; D281-S283 PolarHBondContact O-N 2.78Å; S283-L286 PolarHBondContact O-N 3.34Å; S283-T287 VanDerWaalsContact O-CB 3.26Å; S283-T287 WeakPolarHBondContact O-CB 3.49Å; S283-T287 WeakPolarHBondContact O-CG2 3.48Å; S283-T287 PolarHBondContact O-N 3Å; S283-T287 PolarHBondContact O-OG1 3.5Å; S283-W334 WeakPolarHBondContact OG-CA 3.4Å; S283-W334 WeakPolarHBondContact OG-CB 3.39Å
284I94.6Very high94.7Very high10 Ų1018.8 Ų18.85%0.05110%0.101CC..Hα-helixtrans-59.7-51.4178.5-67167.1000110.5L245 E280 D281 L286 T287 W288 R337L245-I284 VanDerWaalsContact O-CG2 3.27Å; L245-I284 WeakPolarHBondContact O-CG2 3.46Å; E280-I284 WeakPolarHBondContact O-CG1 3.45Å; E280-I284 PolarHBondContact O-N 2.69Å; D281-I284 PolarHBondContact O-N 3.06Å; I284-L286 VanDerWaalsContact C-N 3.34Å; I284-L286 PolarHBondContact O-N 3.35Å; I284-T287 WeakPolarHBondContact CA-OG1 3.41Å; I284-T287 PolarHBondContact O-N 2.75Å; I284-T287 PolarHBondContact O-OG1 3.34Å; I284-T287 VanDerWaalsContact O-OG1 3.09Å; I284-W288 HydrophobicContact CG2-CD2 4.45Å; I284-W288 HydrophobicContact CG2-CG 4.31Å; I284-W288 WeakPolarHBondContact O-CB 3.2Å; I284-W288 PolarHBondContact O-N 2.88Å; I284-R337 HydrophobicContact CG1-CG 4.28Å
285I97.3Very high94.9Very high0 Ų017.6 Ų17.60%010%0.095CC..Iπ-helixtrans-62.7-38.2-178.95993.9000112.5L163 I166 L245 I250 D281 L282 C289 A290L163-I285 HydrophobicContact CD2-CD1 3.52Å; I166-I285 HydrophobicContact CG2-CG2 4.3Å; L245-I285 HydrophobicContact CB-CG2 4.32Å; L245-I285 HydrophobicContact CD2-CG2 3.8Å; L245-I285 HydrophobicContact CG-CG2 3.74Å; L245-I285 WeakPolarHBondContact O-CG2 3.39Å; I250-I285 HydrophobicContact CD1-CG2 4.43Å; D281-I285 VanDerWaalsContact O-CG1 3.3Å; D281-I285 WeakPolarHBondContact O-CG1 3.42Å; D281-I285 PolarHBondContact O-N 3.35Å; L282-I285 WeakPolarHBondContact O-CG1 3.44Å; I285-C289 VanDerWaalsContact O-CB 3.28Å; I285-C289 WeakPolarHBondContact O-CB 3.48Å; I285-C289 PolarHBondContact O-N 2.69Å; I285-A290 PolarHBondContact O-N 3.46Å
286L97.6Very high95.2Very high0 Ų022.5 Ų22.50%011%0.109CC..Iπ-helixtrans-73.9-29.5178.5-72.8172000112.7L163 L282 S283 I284 R295 I302 I303 F330L163-L286 HydrophobicContact CD1-CD2 4.38Å; L163-L286 HydrophobicContact CD2-CD2 4.31Å; L282-L286 WeakPolarHBondContact O-CB 3.11Å; L282-L286 WeakPolarHBondContact O-CD1 3.44Å; L282-L286 VanDerWaalsContact O-CG 3.29Å; L282-L286 WeakPolarHBondContact O-CG 3.5Å; L282-L286 PolarHBondContact O-N 2.97Å; S283-L286 PolarHBondContact O-N 3.34Å; I284-L286 VanDerWaalsContact C-N 3.34Å; I284-L286 PolarHBondContact O-N 3.35Å; L286-R295 WeakPolarHBondContact O-CD 3.18Å; L286-I302 HydrophobicContact CD2-CD1 3.88Å; L286-I303 HydrophobicContact CD1-CD1 4.25Å; L286-I303 HydrophobicContact CD1-CG1 4.42Å; L286-F330 HydrophobicContact CD1-CE1 4.41Å; L286-F330 HydrophobicContact CD1-CE2 3.95Å; L286-F330 HydrophobicContact CD1-CZ 3.52Å
287T95.1Very high95.6Very high0 Ų026.5 Ų26.50%013%0.132CC..Iπ-helixtrans-87.6-49.8-177.1490000112.4S283 I284 W334 R337 A338 L341 R370 C374S283-T287 VanDerWaalsContact O-CB 3.26Å; S283-T287 WeakPolarHBondContact O-CB 3.49Å; S283-T287 WeakPolarHBondContact O-CG2 3.48Å; S283-T287 PolarHBondContact O-N 3Å; S283-T287 PolarHBondContact O-OG1 3.5Å; I284-T287 WeakPolarHBondContact CA-OG1 3.41Å; I284-T287 PolarHBondContact O-N 2.75Å; I284-T287 PolarHBondContact O-OG1 3.34Å; I284-T287 VanDerWaalsContact O-OG1 3.09Å; T287-W334 HydrophobicContact CG2-CD2 4.4Å; T287-W334 HydrophobicContact CG2-CE3 3.13Å; T287-W334 HydrophobicContact CG2-CZ3 3.26Å; T287-R337 HydrophobicContact CG2-CB 4.43Å; T287-A338 HydrophobicContact CG2-CB 3.97Å; T287-L341 WeakPolarHBondContact O-CD2 3.39Å; T287-R370 VanDerWaalsContact O-CD 3.25Å; T287-R370 WeakPolarHBondContact O-CD 3.36Å; T287-R370 WeakPolarHBondContact O-CG 3.42Å; T287-C374 PolarHBondContact O-SG 3.1Å
288W95.4Very high96.1Very high17 Ų1728 Ų286%0.06414%0.138CC..Iπ-helixtrans-89.8-31.8-169.3-68.828.9000111.9L154 W246 I284 R337 L340 L341 M344 L348 R370L154-W288 HydrophobicContact CD1-CB 4.42Å; W246-W288 HydrophobicContact CE3-CE3 4.33Å; W246-W288 HydrophobicContact CE3-CZ3 4.49Å; I284-W288 HydrophobicContact CG2-CD2 4.45Å; I284-W288 HydrophobicContact CG2-CG 4.31Å; I284-W288 WeakPolarHBondContact O-CB 3.2Å; I284-W288 PolarHBondContact O-N 2.88Å; W288-R337 PolarHBondContact NE1-O 2.9Å; W288-R337 VanDerWaalsContact NE1-O 3.14Å; W288-L340 HydrophobicContact CZ2-CB 4.34Å; W288-L340 HydrophobicContact CZ2-CD2 3.9Å; W288-L340 HydrophobicContact CZ2-CG 3.85Å; W288-L341 HydrophobicContact CD2-CD1 4.15Å; W288-L341 HydrophobicContact CG-CD1 4.09Å; W288-M344 HydrophobicContact CH2-CE 4.39Å; W288-M344 HydrophobicContact CH2-SD 3.65Å; W288-M344 HydrophobicContact CZ2-SD 4.23Å; W288-L348 HydrophobicContact CE3-CD1 4.46Å; W288-L348 HydrophobicContact CZ3-CD1 4.17Å; W288-L348 HydrophobicContact CZ3-CD2 4.37Å; W288-R370 VanDerWaalsContact O-CD 3.23Å; W288-R370 WeakPolarHBondContact O-CD 3.39Å; W288-R370 PolarHBondContact O-NH1 2.91Å
289C97.3Very high96.4Very high0 Ų028.1 Ų28.10%014%0.139CC..Iπ-helixtrans-108.4-16.7-168.1-50.70000113.5S157 L158 W246 T247 I285S157-C289 CarbonylContact C-O 3.58Å; S157-C289 WeakPolarHBondContact CA-O 3.5Å; L158-C289 HydrophobicContact CD1-CB 3.35Å; L158-C289 HydrophobicContact CG-CB 3.85Å; L158-C289 PolarHBondContact N-O 2.77Å; W246-C289 VanDerWaalsContact CA-SG 3.59Å; T247-C289 HydrophobicContact CG2-CB 3.65Å; T247-C289 PolarHBondContact N-SG 2.96Å; I285-C289 VanDerWaalsContact O-CB 3.28Å; I285-C289 WeakPolarHBondContact O-CB 3.48Å; I285-C289 PolarHBondContact O-N 2.69Å
290A98Very high96.5Very high0 Ų033 Ų330%016%0.161CC..SBendtrans-101.9147.4177.600000112.3L163 I285 I294 R370L163-A290 HydrophobicContact CD1-CB 4.06Å; I285-A290 PolarHBondContact O-N 3.46Å; A290-I294 HydrophobicContact CB-CG2 4.2Å; A290-R370 VanDerWaalsContact O-CD 3.24Å; A290-R370 WeakPolarHBondContact O-CD 3.11Å; A290-R370 PolarHBondContact O-NE 2.69Å
291S98Very high96.8Very high31 Ų3135.8 Ų35.822%0.21717%0.174CC..  trans-64158169.875.50000111.1S157 E293 I294 R295S157-S291 PolarHBondContact OG-N 2.98Å; S291-E293 PolarHBondContact O-N 2.86Å; S291-I294 PolarHBondContact O-N 3.35Å; S291-I294 WeakPolarHBondContact OG-CG1 3.47Å; S291-I294 PolarHBondContact OG-N 3.48Å; S291-R295 WeakPolarHBondContact O-CB 3.5Å; S291-R295 PolarHBondContact O-N 3.04Å
292A97.6Very high96.9Very high20 Ų2035.7 Ų35.717%0.16517%0.173CC..Hα-helixtrans-59.7-37.5176.800000112.4R296 A373A292-R296 WeakPolarHBondContact O-CB 3.44Å; A292-R296 VanDerWaalsContact O-CG 3.26Å; A292-R296 WeakPolarHBondContact O-CG 3.39Å; A292-R296 PolarHBondContact O-N 3.4Å; A292-A373 HydrophobicContact CB-CB 3.48Å; A292-A373 VanDerWaalsContact CB-CB 3.48Å
293E98.1Very high96.9Very high153 Ų15335.8 Ų35.872%0.71517%0.174SC*.Hα-helixtrans-62.4-52.7176.4-177.8-177.3176.100111.4S291 R295 R296 T297S291-E293 PolarHBondContact O-N 2.86Å; E293-R295 VanDerWaalsContact C-N 3.34Å; E293-R295 PolarHBondContact O-N 3.45Å; E293-R296 PolarHBondContact O-N 2.77Å; E293-T297 WeakPolarHBondContact O-CB 3.29Å; E293-T297 PolarHBondContact O-N 3.25Å; E293-T297 PolarHBondContact O-OG1 3.14Å
294I98.4Very high97Very high31 Ų3138.9 Ų38.916%0.15919%0.188CC..Hα-helixtrans-60.9-46.3178.9-72.4174.6000110.2L158 V160 L163 A290 S291 R296 T297 H298L158-I294 VanDerWaalsContact O-CD1 3.27Å; L158-I294 WeakPolarHBondContact O-CD1 3.45Å; V160-I294 HydrophobicContact CG2-CG1 4.42Å; V160-I294 HydrophobicContact CG2-CG2 4.06Å; L163-I294 HydrophobicContact CD1-CG2 3.55Å; A290-I294 HydrophobicContact CB-CG2 4.2Å; S291-I294 PolarHBondContact O-N 3.35Å; S291-I294 WeakPolarHBondContact OG-CG1 3.47Å; S291-I294 PolarHBondContact OG-N 3.48Å; I294-R296 PolarHBondContact O-N 2.72Å; I294-T297 PolarHBondContact O-N 3.35Å; I294-H298 WeakPolarHBondContact O-CB 3.35Å; I294-H298 PolarHBondContact O-N 3.43Å
295R97.5Very high97.1Very high7 Ų742.5 Ų42.53%0.02621%0.205CC..Hα-helixtrans-58.7-50.6179.9-176.5-176.160.6-112.55.6111.3L286 S291 E293 T297 S299 A373 C374 D377L286-R295 WeakPolarHBondContact O-CD 3.18Å; S291-R295 WeakPolarHBondContact O-CB 3.5Å; S291-R295 PolarHBondContact O-N 3.04Å; E293-R295 VanDerWaalsContact C-N 3.34Å; E293-R295 PolarHBondContact O-N 3.45Å; R295-T297 VanDerWaalsContact C-N 3.34Å; R295-T297 PolarHBondContact O-N 3.11Å; R295-S299 WeakPolarHBondContact CG-OG 3.45Å; R295-S299 WeakPolarHBondContact O-CB 3.34Å; R295-S299 PolarHBondContact O-N 3.23Å; R295-S299 VanDerWaalsContact O-N 3.11Å; R295-S299 PolarHBondContact O-OG 3.47Å; R295-A373 VanDerWaalsContact NH2-C 3.31Å; R295-C374 VanDerWaalsContact CZ-SG 3.53Å; R295-C374 PolarHBondContact NH1-SG 3.34Å; R295-D377 IonicContact CZ-OD2 3.42Å; R295-D377 IonicContact NE-OD2 3.8Å; R295-D377 PolarHBondContact NE-OD2 2.85Å; R295-D377 IonicContact NH2-OD2 2.73Å; R295-D377 PolarHBondContact NH2-OD2 2.92Å
296R96.7Very high97.1Very high143 Ų14342.5 Ų42.554%0.5421%0.205SC..Hα-helixtrans-66.7-35.4-176.9-72.9170.7177.5164.9-4.7112.5A292 E293 I294 D377A292-R296 WeakPolarHBondContact O-CB 3.44Å; A292-R296 VanDerWaalsContact O-CG 3.26Å; A292-R296 WeakPolarHBondContact O-CG 3.39Å; A292-R296 PolarHBondContact O-N 3.4Å; E293-R296 PolarHBondContact O-N 2.77Å; I294-R296 PolarHBondContact O-N 2.72Å; R296-D377 IonicContact CZ-OD1 3.61Å; R296-D377 VanDerWaalsContact CZ-OD1 3.26Å; R296-D377 IonicContact CZ-OD2 3.82Å; R296-D377 IonicContact NE-OD1 3.76Å; R296-D377 PolarHBondContact NE-OD1 3.23Å; R296-D377 IonicContact NE-OD2 3.5Å; R296-D377 PolarHBondContact NE-OD2 3.08Å; R296-D377 VanDerWaalsContact NE-OD2 3.13Å; R296-D377 IonicContact NH2-OD1 2.95Å; R296-D377 PolarHBondContact NH2-OD1 2.81Å; R296-D377 IonicContact NH2-OD2 2.81Å
297T98.2Very high97Very high94 Ų9443.5 Ų43.558%0.57721%0.209SC*.Hα-helixtrans-82.8-39.9-177.2-55.30000112.8E293 I294 R295E293-T297 WeakPolarHBondContact O-CB 3.29Å; E293-T297 PolarHBondContact O-N 3.25Å; E293-T297 PolarHBondContact O-OG1 3.14Å; I294-T297 PolarHBondContact O-N 3.35Å; R295-T297 VanDerWaalsContact C-N 3.34Å; R295-T297 PolarHBondContact O-N 3.11Å
298H98.1Very high97.1Very high52 Ų5249.4 Ų49.424%0.24124%0.235CC..Hα-helixtrans-115.1-9.2-166.2-63.3-76.3000115.6V160 I294 K300 E301 I302V160-H298 HydrophobicContact CG1-CB 4.45Å; V160-H298 HydrophobicContact CG2-CB 4.41Å; I294-H298 WeakPolarHBondContact O-CB 3.35Å; I294-H298 PolarHBondContact O-N 3.43Å; H298-K300 VanDerWaalsContact C-N 3.27Å; H298-K300 PolarHBondContact O-N 3.35Å; H298-E301 IonicContact CE1-OE2 3.14Å; H298-E301 IonicContact CG-OE2 2.64Å; H298-E301 IonicContact ND1-OE2 3.81Å; H298-E301 PolarHBondContact ND1-OE2 2.91Å; H298-E301 WeakPolarHBondContact O-CB 3.2Å; H298-E301 PolarHBondContact O-N 3.31Å; H298-E301 VanDerWaalsContact O-N 3.15Å; H298-I302 HydrophobicContact CB-CD1 3.91Å; H298-I302 HydrophobicContact CB-CG1 4.42Å; H298-I302 WeakPolarHBondContact O-CD1 3.28Å; H298-I302 WeakPolarHBondContact O-CG1 3.37Å; H298-I302 PolarHBondContact O-N 3.11Å
299S97Very high97.2Very high9 Ų953.2 Ų53.26%0.06325%0.249CC..Hα-helixtrans-56-42.4-176.8-66.50000112.5R295 I302 I303R295-S299 WeakPolarHBondContact CG-OG 3.45Å; R295-S299 WeakPolarHBondContact O-CB 3.34Å; R295-S299 PolarHBondContact O-N 3.23Å; R295-S299 VanDerWaalsContact O-N 3.11Å; R295-S299 PolarHBondContact O-OG 3.47Å; S299-I302 PolarHBondContact O-N 2.93Å; S299-I303 VanDerWaalsContact O-CG1 3.26Å; S299-I303 WeakPolarHBondContact O-CG1 3.29Å; S299-I303 PolarHBondContact O-N 3.5Å
300K95.3Very high97.1Very high104 Ų10453.3 Ų53.345%0.45225%0.249SC..Hα-helixtrans-60.9-50.5178.8-170.5174.7-178.9179.50111H298 I302 I303 Q304 W327H298-K300 VanDerWaalsContact C-N 3.27Å; H298-K300 PolarHBondContact O-N 3.35Å; K300-I302 VanDerWaalsContact C-N 3.34Å; K300-I302 PolarHBondContact O-N 2.94Å; K300-I303 PolarHBondContact O-N 3.32Å; K300-Q304 HydrophobicContact CG-CG 4.48Å; K300-Q304 WeakPolarHBondContact O-CG 3.39Å; K300-Q304 PolarHBondContact O-N 2.95Å; K300-W327 VanDerWaalsContact CA-CZ3 3.48Å; K300-W327 HydrophobicContact CB-CE3 4.38Å; K300-W327 HydrophobicContact CB-CH2 3.94Å; K300-W327 HydrophobicContact CB-CZ2 4.2Å; K300-W327 HydrophobicContact CB-CZ3 4.03Å; K300-W327 HydrophobicContact CG-CD2 4.24Å; K300-W327 HydrophobicContact CG-CE3 4.23Å; K300-W327 HydrophobicContact CG-CZ3 4.39Å
301E96.6Very high96.9Very high79 Ų7956.1 Ų56.137%0.36927%0.266SS..Hα-helixtrans-56.9-45.8176.9-179.4-171.6-177.300112.1H164 H298 I303 Q304 Q305H164-E301 IonicContact NE2-OE1 3.48Å; H298-E301 IonicContact CE1-OE2 3.14Å; H298-E301 IonicContact CG-OE2 2.64Å; H298-E301 IonicContact ND1-OE2 3.81Å; H298-E301 PolarHBondContact ND1-OE2 2.91Å; H298-E301 WeakPolarHBondContact O-CB 3.2Å; H298-E301 PolarHBondContact O-N 3.31Å; H298-E301 VanDerWaalsContact O-N 3.15Å; E301-I303 PolarHBondContact O-N 3.38Å; E301-Q304 WeakPolarHBondContact O-CB 3.35Å; E301-Q304 PolarHBondContact O-N 3.24Å; E301-Q305 WeakPolarHBondContact O-CG 3.14Å; E301-Q305 PolarHBondContact O-N 3.29Å
302I98Very high96.9Very high0 Ų059.4 Ų59.40%028%0.281CS..Hα-helixtrans-61.9-45.2179.9-68.3160000110.9L163 A167 L286 H298 S299 K300 Q304 Q305 Y306L163-I302 HydrophobicContact CB-CD1 3.74Å; L163-I302 HydrophobicContact CB-CG1 4.38Å; L163-I302 HydrophobicContact CD1-CD1 3.71Å; L163-I302 HydrophobicContact CG-CD1 4.31Å; A167-I302 HydrophobicContact CB-CG2 3.9Å; L286-I302 HydrophobicContact CD2-CD1 3.88Å; H298-I302 HydrophobicContact CB-CD1 3.91Å; H298-I302 HydrophobicContact CB-CG1 4.42Å; H298-I302 WeakPolarHBondContact O-CD1 3.28Å; H298-I302 WeakPolarHBondContact O-CG1 3.37Å; H298-I302 PolarHBondContact O-N 3.11Å; S299-I302 PolarHBondContact O-N 2.93Å; K300-I302 VanDerWaalsContact C-N 3.34Å; K300-I302 PolarHBondContact O-N 2.94Å; I302-Q304 VanDerWaalsContact C-N 3.33Å; I302-Q304 PolarHBondContact O-N 3.45Å; I302-Q305 PolarHBondContact O-N 3.19Å; I302-Y306 WeakPolarHBondContact O-CB 3.2Å; I302-Y306 PolarHBondContact O-N 3.5Å
303I96.1Very high96.9Very high2 Ų261.2 Ų61.21%0.0129%0.288CS..Hα-helixtrans-65.2-37177.4-65.5-60000111.4L282 L286 S299 K300 E301 Y306 Y307 L326 W327 F330L282-I303 HydrophobicContact CB-CD1 4.12Å; L282-I303 HydrophobicContact CD1-CD1 3.83Å; L282-I303 HydrophobicContact CD2-CD1 4.41Å; L282-I303 HydrophobicContact CG-CD1 4.36Å; L286-I303 HydrophobicContact CD1-CD1 4.25Å; L286-I303 HydrophobicContact CD1-CG1 4.42Å; S299-I303 VanDerWaalsContact O-CG1 3.26Å; S299-I303 WeakPolarHBondContact O-CG1 3.29Å; S299-I303 PolarHBondContact O-N 3.5Å; K300-I303 PolarHBondContact O-N 3.32Å; E301-I303 PolarHBondContact O-N 3.38Å; I303-Y306 WeakPolarHBondContact O-CB 3.41Å; I303-Y307 WeakPolarHBondContact O-CB 3.44Å; I303-Y307 PolarHBondContact O-N 2.91Å; I303-L326 HydrophobicContact CG2-CD2 3.83Å; I303-W327 HydrophobicContact CB-CE3 4.23Å; I303-W327 HydrophobicContact CB-CZ3 4.23Å; I303-W327 HydrophobicContact CG1-CE3 4.37Å; I303-W327 HydrophobicContact CG1-CZ3 3.99Å; I303-W327 HydrophobicContact CG2-CE3 4.23Å; I303-F330 HydrophobicContact CD1-CD2 3.69Å; I303-F330 HydrophobicContact CD1-CE2 3.8Å; I303-F330 HydrophobicContact CD1-CG 4.21Å; I303-F330 HydrophobicContact CD1-CZ 4.38Å; I303-F330 HydrophobicContact CG1-CD1 4.32Å; I303-F330 HydrophobicContact CG1-CD2 4.12Å; I303-F330 HydrophobicContact CG1-CE1 4.45Å; I303-F330 HydrophobicContact CG1-CE2 4.27Å; I303-F330 HydrophobicContact CG1-CG 4.16Å; I303-F330 HydrophobicContact CG1-CZ 4.43Å
304Q96Very high96.7Very high64 Ų6454 Ų5430%0.29925%0.254SS..Hα-helixtrans-65-43.2175.3-69.1175.1-49.800112K300 E301 I302 Y307 K308 E323K300-Q304 HydrophobicContact CG-CG 4.48Å; K300-Q304 WeakPolarHBondContact O-CG 3.39Å; K300-Q304 PolarHBondContact O-N 2.95Å; E301-Q304 WeakPolarHBondContact O-CB 3.35Å; E301-Q304 PolarHBondContact O-N 3.24Å; I302-Q304 VanDerWaalsContact C-N 3.33Å; I302-Q304 PolarHBondContact O-N 3.45Å; Q304-Y307 PolarHBondContact O-N 3.36Å; Q304-K308 WeakPolarHBondContact O-CB 3.47Å; Q304-K308 PolarHBondContact O-N 2.9Å; Q304-E323 VanDerWaalsContact CD-OE1 3.31Å; Q304-E323 HydrophobicContact CG-CG 4.43Å; Q304-E323 WeakPolarHBondContact CG-OE1 3.37Å; Q304-E323 PolarHBondContact NE2-OE1 3.42Å
305Q96.9Very high96.5Very high86 Ų8658.7 Ų58.740%0.40228%0.28SS..Hα-helixtrans-68.5-40.8177.3-65.6-57.7-27.400112.4E301 I302 Y307 K308 R309E301-Q305 WeakPolarHBondContact O-CG 3.14Å; E301-Q305 PolarHBondContact O-N 3.29Å; I302-Q305 PolarHBondContact O-N 3.19Å; Q305-Y307 VanDerWaalsContact C-N 3.26Å; Q305-Y307 PolarHBondContact O-N 2.96Å; Q305-K308 PolarHBondContact O-N 3.37Å; Q305-R309 PolarHBondContact O-N 2.86Å; Q305-R309 VanDerWaalsContact O-N 3.13Å
306Y97.5Very high96.3Very high0 Ų061.8 Ų61.80%031%0.314CS..Hα-helixtrans-52.1-49.7168.9163.5-92000110.5A167 L170 A171 H174 I278 L282 I302 I303 R309 L310A167-Y306 WeakPolarHBondContact O-CD2 3.24Å; L170-Y306 HydrophobicContact CB-CD2 4.41Å; L170-Y306 HydrophobicContact CB-CE2 4.14Å; A171-Y306 HydrophobicContact CB-CD2 3.72Å; A171-Y306 HydrophobicContact CB-CE2 3.83Å; A171-Y306 HydrophobicContact CB-CG 4.48Å; A171-Y306 WeakPolarHBondContact CB-O 3.36Å; H174-Y306 AromaticContact ND1-CE2 3.6Å; H174-Y306 AromaticContact ND1-CZ 3.56Å; H174-Y306 PolarHBondContact ND1-OH 3.26Å; I278-Y306 HydrophobicContact CD1-CE1 4.36Å; L282-Y306 HydrophobicContact CD1-CD1 3.84Å; L282-Y306 HydrophobicContact CD1-CD2 3.8Å; L282-Y306 HydrophobicContact CD1-CE1 3.95Å; L282-Y306 HydrophobicContact CD1-CE2 3.89Å; L282-Y306 HydrophobicContact CD1-CG 3.8Å; L282-Y306 HydrophobicContact CD2-CD2 4.17Å; L282-Y306 HydrophobicContact CD2-CG 4.45Å; L282-Y306 HydrophobicContact CG-CD2 4.48Å; I302-Y306 WeakPolarHBondContact O-CB 3.2Å; I302-Y306 PolarHBondContact O-N 3.5Å; I303-Y306 WeakPolarHBondContact O-CB 3.41Å; Y306-R309 PolarHBondContact O-N 3.39Å; Y306-L310 HydrophobicContact CE1-CD2 4.14Å; Y306-L310 PolarHBondContact O-N 3.41Å
307Y95Very high96Very high21 Ų2161.9 Ų61.98%0.08232%0.319CS..Hα-helixtrans-67.2-43.1-175.4-170.4-122.8000113.1I303 Q304 Q305 R309 L310 V311 L320 P321 E323 L326I303-Y307 WeakPolarHBondContact O-CB 3.44Å; I303-Y307 PolarHBondContact O-N 2.91Å; Q304-Y307 PolarHBondContact O-N 3.36Å; Q305-Y307 VanDerWaalsContact C-N 3.26Å; Q305-Y307 PolarHBondContact O-N 2.96Å; Y307-R309 VanDerWaalsContact C-N 3.3Å; Y307-R309 PolarHBondContact O-N 3.13Å; Y307-L310 HydrophobicContact CD2-CD2 4.16Å; Y307-L310 HydrophobicContact CE2-CD2 4.28Å; Y307-L310 WeakPolarHBondContact O-CB 3.49Å; Y307-L310 PolarHBondContact O-N 3.24Å; Y307-L310 VanDerWaalsContact O-N 3.15Å; Y307-V311 HydrophobicContact CD1-CG2 4.16Å; Y307-V311 HydrophobicContact CD2-CG2 4.37Å; Y307-V311 HydrophobicContact CE1-CG2 3.7Å; Y307-V311 HydrophobicContact CE2-CG2 3.9Å; Y307-V311 HydrophobicContact CG-CG2 4.44Å; Y307-V311 WeakPolarHBondContact O-CG2 3.39Å; Y307-V311 PolarHBondContact O-N 2.93Å; Y307-L320 HydrophobicContact CE2-CB 4.37Å; Y307-L320 HydrophobicContact CE2-CD1 4.41Å; Y307-L320 WeakPolarHBondContact OH-CB 3.34Å; Y307-P321 PolarHBondContact OH-O 3.46Å; Y307-E323 HydrophobicContact CD1-CB 4.18Å; Y307-E323 HydrophobicContact CD1-CG 4.19Å; Y307-E323 HydrophobicContact CE1-CB 4.26Å; Y307-L326 HydrophobicContact CD1-CD2 4.08Å; Y307-L326 HydrophobicContact CD2-CD1 3.7Å; Y307-L326 HydrophobicContact CD2-CD2 3.41Å; Y307-L326 VanDerWaalsContact CD2-CD2 3.41Å; Y307-L326 HydrophobicContact CD2-CG 4.13Å; Y307-L326 HydrophobicContact CE2-CD1 3.92Å; Y307-L326 HydrophobicContact CE2-CD2 4.27Å; Y307-L326 HydrophobicContact CG-CD1 4.45Å; Y307-L326 HydrophobicContact CG-CD2 3.33Å; Y307-L326 HydrophobicContact CG-CG 4.4Å
308K96.5Very high95.5Very high125 Ų12560 Ų6054%0.54331%0.307SS..Hα-helixtrans-54.9-49175.4-180176.3177.3174.20110.9Q304 Q305 L310 V311 D312Q304-K308 WeakPolarHBondContact O-CB 3.47Å; Q304-K308 PolarHBondContact O-N 2.9Å; Q305-K308 PolarHBondContact O-N 3.37Å; K308-L310 VanDerWaalsContact C-N 3.34Å; K308-L310 PolarHBondContact O-N 3.04Å; K308-V311 PolarHBondContact O-N 3.49Å; K308-D312 PolarHBondContact O-N 2.88Å
309R97.6Very high94.9Very high96 Ų9663.5 Ų63.536%0.36234%0.337SS..Hα-helixtrans-63.7-39.2177.6-172.2173.7-178.6101.8-0.9112.5S168 A171 D172 Q305 Y306 Y307 D312 N313S168-R309 WeakPolarHBondContact O-CD 3.24Å; S168-R309 PolarHBondContact O-NE 3.42Å; A171-R309 HydrophobicContact CB-CB 3.9Å; A171-R309 HydrophobicContact CB-CG 3.95Å; D172-R309 VanDerWaalsContact CG-NH2 3.34Å; D172-R309 IonicContact OD1-CZ 3.27Å; D172-R309 VanDerWaalsContact OD1-CZ 3.31Å; D172-R309 IonicContact OD1-NE 3.7Å; D172-R309 PolarHBondContact OD1-NE 2.97Å; D172-R309 IonicContact OD1-NH2 2.72Å; D172-R309 PolarHBondContact OD1-NH2 3.36Å; D172-R309 VanDerWaalsContact OD1-NH2 3.08Å; D172-R309 IonicContact OD2-CZ 2.85Å; D172-R309 IonicContact OD2-NE 2.92Å; D172-R309 PolarHBondContact OD2-NE 3.47Å; D172-R309 IonicContact OD2-NH2 3.1Å; D172-R309 PolarHBondContact OD2-NH2 3.27Å; Q305-R309 PolarHBondContact O-N 2.86Å; Q305-R309 VanDerWaalsContact O-N 3.13Å; Y306-R309 PolarHBondContact O-N 3.39Å; Y307-R309 VanDerWaalsContact C-N 3.3Å; Y307-R309 PolarHBondContact O-N 3.13Å; R309-D312 PolarHBondContact O-N 3.33Å; R309-N313 WeakPolarHBondContact O-CB 3.26Å; R309-N313 PolarHBondContact O-N 3.28Å; R309-N313 PolarHBondContact O-OD1 2.89Å
310L95.9Very high94.4Very high3 Ų364.9 Ų64.92%0.01634%0.343CS..Hα-helixtrans-59.9-46.3174.9-177.570.9000111.5A171 H174 I178 Y306 Y307 K308 N313 V314 L320A171-L310 HydrophobicContact CB-CB 4.41Å; H174-L310 HydrophobicContact CB-CD1 4.04Å; I178-L310 HydrophobicContact CD1-CD1 4.2Å; Y306-L310 HydrophobicContact CE1-CD2 4.14Å; Y306-L310 PolarHBondContact O-N 3.41Å; Y307-L310 HydrophobicContact CD2-CD2 4.16Å; Y307-L310 HydrophobicContact CE2-CD2 4.28Å; Y307-L310 WeakPolarHBondContact O-CB 3.49Å; Y307-L310 PolarHBondContact O-N 3.24Å; Y307-L310 VanDerWaalsContact O-N 3.15Å; K308-L310 VanDerWaalsContact C-N 3.34Å; K308-L310 PolarHBondContact O-N 3.04Å; L310-N313 PolarHBondContact O-N 3.45Å; L310-V314 HydrophobicContact CD1-CG2 4.49Å; L310-V314 WeakPolarHBondContact O-CB 3.2Å; L310-V314 VanDerWaalsContact O-CG2 3.28Å; L310-V314 WeakPolarHBondContact O-CG2 3.41Å; L310-V314 PolarHBondContact O-N 3.41Å; L310-L320 HydrophobicContact CD2-CD1 4.38Å; L310-L320 HydrophobicContact CG-CD1 4.22Å
311V94.7Very high93.9Very high58 Ų5862.2 Ų62.235%0.35234%0.337SS..Hα-helixtrans-61.8-47.9177.6170.90000110.8Y307 K308 N313 V314 D315 L320Y307-V311 HydrophobicContact CD1-CG2 4.16Å; Y307-V311 HydrophobicContact CD2-CG2 4.37Å; Y307-V311 HydrophobicContact CE1-CG2 3.7Å; Y307-V311 HydrophobicContact CE2-CG2 3.9Å; Y307-V311 HydrophobicContact CG-CG2 4.44Å; Y307-V311 WeakPolarHBondContact O-CG2 3.39Å; Y307-V311 PolarHBondContact O-N 2.93Å; K308-V311 PolarHBondContact O-N 3.49Å; V311-N313 VanDerWaalsContact C-N 3.34Å; V311-N313 PolarHBondContact O-N 3.04Å; V311-V314 PolarHBondContact O-N 3.27Å; V311-D315 PolarHBondContact O-N 2.96Å; V311-D315 VanDerWaalsContact O-N 3.1Å; V311-L320 HydrophobicContact CB-CD1 4.39Å; V311-L320 HydrophobicContact CG2-CD1 3.77Å
312D97.7Very high93.3Very high100 Ų10061.8 Ų61.854%0.53534%0.343SS..Hα-helixtrans-59.9-43.2179.2-67.5-17.5000111.2K308 R309 D315K308-D312 PolarHBondContact O-N 2.88Å; R309-D312 PolarHBondContact O-N 3.33Å; D312-D315 PolarHBondContact O-N 3.44Å
313N97.1Very high92.6Very high58 Ų5865.9 Ų65.931%0.3136%0.362SS..Hα-helixtrans-72.8-33.5179.9-71.2-5.6000113.6D172 S175 R309 L310 V311 D315D172-N313 PolarHBondContact OD1-ND2 3.27Å; S175-N313 VanDerWaalsContact CB-CB 3.4Å; S175-N313 WeakPolarHBondContact OG-CB 3.32Å; S175-N313 PolarHBondContact OG-ND2 3.13Å; R309-N313 WeakPolarHBondContact O-CB 3.26Å; R309-N313 PolarHBondContact O-N 3.28Å; R309-N313 PolarHBondContact O-OD1 2.89Å; L310-N313 PolarHBondContact O-N 3.45Å; V311-N313 VanDerWaalsContact C-N 3.34Å; V311-N313 PolarHBondContact O-N 3.04Å; N313-D315 VanDerWaalsContact C-N 3.28Å
314V94.6Very high91.9Very high1 Ų171.7 Ų71.71%0.00639%0.393CS..Hα-helixtrans-69.7-30176.6163.10000111.2I178 T179 L310 V311 G316 K317 V318 L320I178-V314 HydrophobicContact CG2-CG2 4.37Å; T179-V314 HydrophobicContact CG2-CB 4.47Å; T179-V314 HydrophobicContact CG2-CG1 4.48Å; T179-V314 HydrophobicContact CG2-CG2 4.06Å; L310-V314 HydrophobicContact CD1-CG2 4.49Å; L310-V314 WeakPolarHBondContact O-CB 3.2Å; L310-V314 VanDerWaalsContact O-CG2 3.28Å; L310-V314 WeakPolarHBondContact O-CG2 3.41Å; L310-V314 PolarHBondContact O-N 3.41Å; V311-V314 PolarHBondContact O-N 3.27Å; V314-G316 VanDerWaalsContact C-N 3.25Å; V314-G316 PolarHBondContact O-N 3.15Å; V314-K317 VanDerWaalsContact O-CB 3.29Å; V314-K317 WeakPolarHBondContact O-CB 3.5Å; V314-K317 VanDerWaalsContact O-CG 3.27Å; V314-K317 WeakPolarHBondContact O-CG 3.5Å; V314-K317 PolarHBondContact O-N 3.45Å; V314-V318 HydrophobicContact CG1-CB 4.43Å; V314-V318 HydrophobicContact CG1-CG2 3.5Å; V314-V318 HydrophobicContact CG2-CG2 4.41Å; V314-L320 HydrophobicContact CB-CD1 4.11Å; V314-L320 HydrophobicContact CG1-CD1 4.23Å; V314-L320 HydrophobicContact CG1-CG 4.43Å; V314-L320 HydrophobicContact CG2-CD1 4.09Å
315D94.4Very high91.4Very high130 Ų13073.4 Ų73.470%0.69540%0.403SS*.THydrogen-bonded Turntrans49.744.9173-168.232.1000112.9V311 D312 N313 K317V311-D315 PolarHBondContact O-N 2.96Å; V311-D315 VanDerWaalsContact O-N 3.1Å; D312-D315 PolarHBondContact O-N 3.44Å; N313-D315 VanDerWaalsContact C-N 3.28Å; D315-K317 PolarHBondContact O-N 3.4Å
316G91.5Very high90.8Very high72 Ų7269.5 Ų69.574%0.74239%0.386SS*.THydrogen-bonded Turntrans69.62.2178.300000116.3V314 V318V314-G316 VanDerWaalsContact C-N 3.25Å; V314-G316 PolarHBondContact O-N 3.15Å; G316-V318 PolarHBondContact O-N 2.89Å
317K90.9Very high90.4Very high146 Ų14673 Ų7364%0.63540%0.399SS*.SBendtrans-61.3-30.4178.2-66.9174-175.7172.60113.1T179 V314 D315T179-K317 HydrophobicContact CG2-CB 4.28Å; T179-K317 HydrophobicContact CG2-CD 4.06Å; V314-K317 VanDerWaalsContact O-CB 3.29Å; V314-K317 WeakPolarHBondContact O-CB 3.5Å; V314-K317 VanDerWaalsContact O-CG 3.27Å; V314-K317 WeakPolarHBondContact O-CG 3.5Å; V314-K317 PolarHBondContact O-N 3.45Å; D315-K317 PolarHBondContact O-N 3.4Å
318V87.6Confident89.9Confident55 Ų5575.5 Ų75.533%0.33342%0.417SS..SBendtrans-133.3154.1171.3-56.40000110.7I178 V314 G316 L320I178-V318 HydrophobicContact CG2-CB 4.32Å; I178-V318 HydrophobicContact CG2-CG1 4.08Å; I178-V318 HydrophobicContact CG2-CG2 3.33Å; V314-V318 HydrophobicContact CG1-CB 4.43Å; V314-V318 HydrophobicContact CG1-CG2 3.5Å; V314-V318 HydrophobicContact CG2-CG2 4.41Å; G316-V318 PolarHBondContact O-N 2.89Å; V318-L320 HydrophobicContact CG2-CD2 4.01Å; V318-L320 HydrophobicContact CG2-CG 4.4Å
319S86.1Confident89.4Confident125 Ų12570.2 Ų70.287%0.87440%0.396SS*.  trans-78.3125172.4-175.50000110.2
320L87Confident89Confident37 Ų3765.8 Ų65.819%0.19438%0.379CS..  trans-105.7152.2175.7-62.8176.4000110.7Y307 L310 V311 V314 V318Y307-L320 HydrophobicContact CE2-CB 4.37Å; Y307-L320 HydrophobicContact CE2-CD1 4.41Å; Y307-L320 WeakPolarHBondContact OH-CB 3.34Å; L310-L320 HydrophobicContact CD2-CD1 4.38Å; L310-L320 HydrophobicContact CG-CD1 4.22Å; V311-L320 HydrophobicContact CB-CD1 4.39Å; V311-L320 HydrophobicContact CG2-CD1 3.77Å; V314-L320 HydrophobicContact CB-CD1 4.11Å; V314-L320 HydrophobicContact CG1-CD1 4.23Å; V314-L320 HydrophobicContact CG1-CG 4.43Å; V314-L320 HydrophobicContact CG2-CD1 4.09Å; V318-L320 HydrophobicContact CG2-CD2 4.01Å; V318-L320 HydrophobicContact CG2-CG 4.4Å
321P84.1Confident88.6Confident48 Ų4867 Ų6731%0.31239%0.386SS..  trans-64.4171.3-179.826.5-35.1000113.3Y307 L325Y307-P321 PolarHBondContact OH-O 3.46Å; P321-L325 HydrophobicContact CB-CB 4.38Å; P321-L325 HydrophobicContact CB-CD2 3.83Å; P321-L325 HydrophobicContact CB-CG 4.34Å
322S84.3Confident88.1Confident71 Ų7166.7 Ų66.750%0.49738%0.381SS..  trans-69.8156.6170.165.60000111.6D324 L325 L326S322-D324 VanDerWaalsContact C-N 3.3Å; S322-D324 PolarHBondContact O-N 3.16Å; S322-L325 PolarHBondContact O-N 2.88Å; S322-L325 PolarHBondContact OG-N 2.71Å; S322-L326 PolarHBondContact O-N 3.47Å
323E83.5Confident87.4Confident86 Ų8662.5 Ų62.540%0.40236%0.358SS..Hα-helixtrans-59.7-37.4176.8-169.6-176.9138.200112.6Q304 Y307 L325 L326 W327Q304-E323 VanDerWaalsContact CD-OE1 3.31Å; Q304-E323 HydrophobicContact CG-CG 4.43Å; Q304-E323 WeakPolarHBondContact CG-OE1 3.37Å; Q304-E323 PolarHBondContact NE2-OE1 3.42Å; Y307-E323 HydrophobicContact CD1-CB 4.18Å; Y307-E323 HydrophobicContact CD1-CG 4.19Å; Y307-E323 HydrophobicContact CE1-CB 4.26Å; E323-L325 PolarHBondContact O-N 3.08Å; E323-L326 VanDerWaalsContact O-CB 3.25Å; E323-L326 WeakPolarHBondContact O-CB 3.38Å; E323-L326 PolarHBondContact O-N 3.14Å; E323-W327 PolarHBondContact O-N 3.27Å
324D81.6Confident87.1Confident124 Ų12460.2 Ų60.266%0.66335%0.345SS*.Hα-helixtrans-64.9-38.9176.2-71.4-33.9000112.5S322 L326 T328S322-D324 VanDerWaalsContact C-N 3.3Å; S322-D324 PolarHBondContact O-N 3.16Å; D324-L326 VanDerWaalsContact C-N 3.29Å; D324-T328 PolarHBondContact O-N 3.07Å; D324-T328 VanDerWaalsContact O-N 3.16Å; D324-T328 PolarHBondContact O-OG1 3.03Å
325L84.3Confident86.9Confident99 Ų9960.3 Ų60.352%0.51835%0.346SS..Hα-helixtrans-67.8-34.8175.2-176.160.3000110.7P321 S322 E323 T328 A329P321-L325 HydrophobicContact CB-CB 4.38Å; P321-L325 HydrophobicContact CB-CD2 3.83Å; P321-L325 HydrophobicContact CB-CG 4.34Å; S322-L325 PolarHBondContact O-N 2.88Å; S322-L325 PolarHBondContact OG-N 2.71Å; E323-L325 PolarHBondContact O-N 3.08Å; L325-T328 PolarHBondContact O-N 3.02Å; L325-A329 WeakPolarHBondContact O-CB 3.15Å; L325-A329 PolarHBondContact O-N 2.81Å
326L84.8Confident86.5Confident5 Ų556.7 Ų56.73%0.02633%0.334CS..Hα-helixtrans-62.5-48176.1-167.189.3000112I278 F279 I303 Y307 S322 E323 D324 T328 A329 F330I278-L326 HydrophobicContact CD1-CD1 3.85Å; F279-L326 HydrophobicContact CE1-CD1 3.92Å; F279-L326 HydrophobicContact CE1-CD2 4.44Å; F279-L326 HydrophobicContact CE1-CG 3.85Å; F279-L326 HydrophobicContact CZ-CD1 3.43Å; F279-L326 VanDerWaalsContact CZ-CD1 3.43Å; F279-L326 HydrophobicContact CZ-CG 3.55Å; F279-L326 WeakPolarHBondContact CZ-O 3.4Å; I303-L326 HydrophobicContact CG2-CD2 3.83Å; Y307-L326 HydrophobicContact CD1-CD2 4.08Å; Y307-L326 HydrophobicContact CD2-CD1 3.7Å; Y307-L326 HydrophobicContact CD2-CD2 3.41Å; Y307-L326 VanDerWaalsContact CD2-CD2 3.41Å; Y307-L326 HydrophobicContact CD2-CG 4.13Å; Y307-L326 HydrophobicContact CE2-CD1 3.92Å; Y307-L326 HydrophobicContact CE2-CD2 4.27Å; Y307-L326 HydrophobicContact CG-CD1 4.45Å; Y307-L326 HydrophobicContact CG-CD2 3.33Å; Y307-L326 HydrophobicContact CG-CG 4.4Å; S322-L326 PolarHBondContact O-N 3.47Å; E323-L326 VanDerWaalsContact O-CB 3.25Å; E323-L326 WeakPolarHBondContact O-CB 3.38Å; E323-L326 PolarHBondContact O-N 3.14Å; D324-L326 VanDerWaalsContact C-N 3.29Å; L326-T328 VanDerWaalsContact C-N 3.3Å; L326-T328 PolarHBondContact O-N 3.18Å; L326-A329 PolarHBondContact O-N 3.29Å; L326-F330 PolarHBondContact O-N 3.24Å
327W88.5Confident86.4Confident72 Ų7256 Ų5627%0.27331%0.309SS..Hα-helixtrans-63.5-38.2177.5-178.9-112000112.1K300 I303 E323 F330 N331K300-W327 VanDerWaalsContact CA-CZ3 3.48Å; K300-W327 HydrophobicContact CB-CE3 4.38Å; K300-W327 HydrophobicContact CB-CH2 3.94Å; K300-W327 HydrophobicContact CB-CZ2 4.2Å; K300-W327 HydrophobicContact CB-CZ3 4.03Å; K300-W327 HydrophobicContact CG-CD2 4.24Å; K300-W327 HydrophobicContact CG-CE3 4.23Å; K300-W327 HydrophobicContact CG-CZ3 4.39Å; I303-W327 HydrophobicContact CB-CE3 4.23Å; I303-W327 HydrophobicContact CB-CZ3 4.23Å; I303-W327 HydrophobicContact CG1-CE3 4.37Å; I303-W327 HydrophobicContact CG1-CZ3 3.99Å; I303-W327 HydrophobicContact CG2-CE3 4.23Å; E323-W327 PolarHBondContact O-N 3.27Å; W327-F330 AromaticContact CE3-CD1 3.91Å; W327-F330 HydrophobicContact CE3-CD1 3.91Å; W327-F330 HydrophobicContact CH2-CD1 4.03Å; W327-F330 HydrophobicContact CH2-CE1 4.08Å; W327-F330 AromaticContact CZ3-CD1 3.53Å; W327-F330 HydrophobicContact CZ3-CD1 3.53Å; W327-F330 AromaticContact CZ3-CE1 3.85Å; W327-F330 HydrophobicContact CZ3-CE1 3.85Å; W327-F330 HydrophobicContact CZ3-CG 4.43Å; W327-F330 PolarHBondContact O-N 3.08Å; W327-N331 PolarHBondContact NE1-ND2 3.43Å; W327-N331 PolarHBondContact O-N 2.78Å; W327-N331 PolarHBondContact O-ND2 3.09Å
328T85.9Confident86.5Confident75 Ų7549 Ų4946%0.4628%0.279SS..Hα-helixtrans-61.4-47.1174.1-57.10000110.7D324 L325 L326 N331 E332D324-T328 PolarHBondContact O-N 3.07Å; D324-T328 VanDerWaalsContact O-N 3.16Å; D324-T328 PolarHBondContact O-OG1 3.03Å; L325-T328 PolarHBondContact O-N 3.02Å; L326-T328 VanDerWaalsContact C-N 3.3Å; L326-T328 PolarHBondContact O-N 3.18Å; T328-N331 CarbonylContact O-C 3.51Å; T328-N331 WeakPolarHBondContact O-CA 3.33Å; T328-N331 WeakPolarHBondContact O-CB 3.42Å; T328-N331 PolarHBondContact O-N 2.84Å; T328-N331 VanDerWaalsContact O-N 3.13Å; T328-E332 PolarHBondContact O-N 2.66Å
329A85.2Confident86.7Confident13 Ų1346.8 Ų46.811%0.10727%0.265CS..Hα-helixtrans-67.8-36.6179.500000113.3L236 F279 L325 L326 N331 E332 V333L236-A329 HydrophobicContact CD1-CB 4.29Å; L236-A329 HydrophobicContact CD2-CB 3.86Å; F279-A329 HydrophobicContact CD2-CB 4.41Å; F279-A329 HydrophobicContact CE2-CB 3.57Å; F279-A329 HydrophobicContact CZ-CB 4.27Å; L325-A329 WeakPolarHBondContact O-CB 3.15Å; L325-A329 PolarHBondContact O-N 2.81Å; L326-A329 PolarHBondContact O-N 3.29Å; A329-N331 VanDerWaalsContact C-N 3.26Å; A329-N331 PolarHBondContact O-N 3.42Å; A329-E332 WeakPolarHBondContact O-CB 3.2Å; A329-E332 PolarHBondContact O-N 3.03Å; A329-V333 PolarHBondContact O-N 3.31Å
330F89Confident86.9Confident4 Ų441.8 Ų41.82%0.01823%0.228CC..Hα-helixtrans-56.7-45.7169173.4-102000110.4F279 L286 I303 L326 W327 E332 V333 W334F279-F330 HydrophobicContact CB-CD2 4.07Å; F279-F330 HydrophobicContact CD1-CB 3.95Å; F279-F330 AromaticContact CD1-CD2 3.81Å; F279-F330 HydrophobicContact CD1-CD2 3.81Å; F279-F330 HydrophobicContact CD1-CG 4.38Å; F279-F330 HydrophobicContact CD2-CB 4.43Å; F279-F330 HydrophobicContact CE1-CB 3.99Å; F279-F330 HydrophobicContact CE2-CB 4.48Å; F279-F330 HydrophobicContact CG-CB 4.18Å; F279-F330 HydrophobicContact CG-CD2 4.07Å; F279-F330 HydrophobicContact CZ-CB 4.25Å; L286-F330 HydrophobicContact CD1-CE1 4.41Å; L286-F330 HydrophobicContact CD1-CE2 3.95Å; L286-F330 HydrophobicContact CD1-CZ 3.52Å; I303-F330 HydrophobicContact CD1-CD2 3.69Å; I303-F330 HydrophobicContact CD1-CE2 3.8Å; I303-F330 HydrophobicContact CD1-CG 4.21Å; I303-F330 HydrophobicContact CD1-CZ 4.38Å; I303-F330 HydrophobicContact CG1-CD1 4.32Å; I303-F330 HydrophobicContact CG1-CD2 4.12Å; I303-F330 HydrophobicContact CG1-CE1 4.45Å; I303-F330 HydrophobicContact CG1-CE2 4.27Å; I303-F330 HydrophobicContact CG1-CG 4.16Å; I303-F330 HydrophobicContact CG1-CZ 4.43Å; L326-F330 PolarHBondContact O-N 3.24Å; W327-F330 AromaticContact CE3-CD1 3.91Å; W327-F330 HydrophobicContact CE3-CD1 3.91Å; W327-F330 HydrophobicContact CH2-CD1 4.03Å; W327-F330 HydrophobicContact CH2-CE1 4.08Å; W327-F330 AromaticContact CZ3-CD1 3.53Å; W327-F330 HydrophobicContact CZ3-CD1 3.53Å; W327-F330 AromaticContact CZ3-CE1 3.85Å; W327-F330 HydrophobicContact CZ3-CE1 3.85Å; W327-F330 HydrophobicContact CZ3-CG 4.43Å; W327-F330 PolarHBondContact O-N 3.08Å; F330-E332 PolarHBondContact O-N 3Å; F330-V333 PolarHBondContact O-N 3.47Å; F330-V333 VanDerWaalsContact O-N 3.08Å; F330-W334 HydrophobicContact CE1-CB 4.06Å; F330-W334 HydrophobicContact CE1-CG 4.24Å; F330-W334 HydrophobicContact CE2-CB 4.1Å; F330-W334 HydrophobicContact CZ-CB 3.79Å; F330-W334 HydrophobicContact CZ-CG 4.33Å; F330-W334 PolarHBondContact O-N 2.83Å
331N88.6Confident87.3Confident27 Ų2740 Ų4014%0.14422%0.219CC..Hα-helixtrans-65.1-20.6176.4-75.3-50.7000113.6W327 T328 A329 P335 R385W327-N331 PolarHBondContact NE1-ND2 3.43Å; W327-N331 PolarHBondContact O-N 2.78Å; W327-N331 PolarHBondContact O-ND2 3.09Å; T328-N331 CarbonylContact O-C 3.51Å; T328-N331 WeakPolarHBondContact O-CA 3.33Å; T328-N331 WeakPolarHBondContact O-CB 3.42Å; T328-N331 PolarHBondContact O-N 2.84Å; T328-N331 VanDerWaalsContact O-N 3.13Å; A329-N331 VanDerWaalsContact C-N 3.26Å; A329-N331 PolarHBondContact O-N 3.42Å; N331-P335 WeakPolarHBondContact O-CD 3.1Å; N331-P335 VanDerWaalsContact O-CG 3.27Å; N331-P335 WeakPolarHBondContact O-CG 3.35Å; N331-R385 PolarHBondContact O-NH2 2.97Å
332E82.9Confident87.7Confident53 Ų5337.8 Ų37.825%0.24820%0.204CC..Hα-helixtrans-72.3-34.2171.8-64.6-57.8136.600112.7P234 T328 A329 F330 R385P234-E332 HydrophobicContact CB-CB 4.13Å; P234-E332 HydrophobicContact CG-CB 3.94Å; T328-E332 PolarHBondContact O-N 2.66Å; A329-E332 WeakPolarHBondContact O-CB 3.2Å; A329-E332 PolarHBondContact O-N 3.03Å; F330-E332 PolarHBondContact O-N 3Å; E332-R385 VanDerWaalsContact CA-NH2 3.33Å; E332-R385 IonicContact OE1-CZ 3.7Å; E332-R385 IonicContact OE1-NE 3.09Å; E332-R385 PolarHBondContact OE1-NE 3.24Å; E332-R385 IonicContact OE1-NH1 3.36Å; E332-R385 IonicContact OE1-NH2 3.67Å; E332-R385 PolarHBondContact OE1-NH2 3.39Å; E332-R385 IonicContact OE2-CZ 2.78Å; E332-R385 IonicContact OE2-NE 3.66Å; E332-R385 IonicContact OE2-NH1 2.69Å; E332-R385 PolarHBondContact OE2-NH1 3.38Å; E332-R385 IonicContact OE2-NH2 3.48Å; E332-R385 PolarHBondContact OE2-NH2 3.01Å
333V84.1Confident88.1Confident11 Ų1134.7 Ų34.77%0.06718%0.183CC..Hα-helixtrans-92.7-43.7-173179.40000112.1P234 L236 F279 E280 A329 F330 A336P234-V333 HydrophobicContact CG-CG2 3.42Å; P234-V333 VanDerWaalsContact CG-CG2 3.42Å; L236-V333 HydrophobicContact CD1-CG2 4.16Å; F279-V333 HydrophobicContact CB-CB 4.04Å; F279-V333 HydrophobicContact CB-CG1 4.11Å; F279-V333 HydrophobicContact CB-CG2 4.25Å; F279-V333 HydrophobicContact CD2-CG2 4.19Å; E280-V333 HydrophobicContact CG-CG1 4.34Å; A329-V333 PolarHBondContact O-N 3.31Å; F330-V333 PolarHBondContact O-N 3.47Å; F330-V333 VanDerWaalsContact O-N 3.08Å; V333-A336 PolarHBondContact O-N 2.78Å
334W89.8Confident88.5Confident11 Ų1132 Ų324%0.04217%0.171CC..Hα-helixtrans-58.9-35.7-170.5108.6-82.5000115.3S283 T287 F330 A336 R337 A338 D377 A378 I381S283-W334 WeakPolarHBondContact OG-CA 3.4Å; S283-W334 WeakPolarHBondContact OG-CB 3.39Å; T287-W334 HydrophobicContact CG2-CD2 4.4Å; T287-W334 HydrophobicContact CG2-CE3 3.13Å; T287-W334 HydrophobicContact CG2-CZ3 3.26Å; F330-W334 HydrophobicContact CE1-CB 4.06Å; F330-W334 HydrophobicContact CE1-CG 4.24Å; F330-W334 HydrophobicContact CE2-CB 4.1Å; F330-W334 HydrophobicContact CZ-CB 3.79Å; F330-W334 HydrophobicContact CZ-CG 4.33Å; F330-W334 PolarHBondContact O-N 2.83Å; W334-A336 VanDerWaalsContact C-N 3.25Å; W334-A336 PolarHBondContact O-N 2.77Å; W334-R337 PolarHBondContact O-N 2.88Å; W334-A338 HydrophobicContact CD2-CB 4.34Å; W334-A338 HydrophobicContact CE3-CB 3.79Å; W334-A338 HydrophobicContact CH2-CB 3.58Å; W334-A338 HydrophobicContact CZ2-CB 4.18Å; W334-A338 HydrophobicContact CZ3-CB 3.39Å; W334-A338 PolarHBondContact O-N 3.12Å; W334-D377 HydrophobicContact CH2-CB 3.69Å; W334-D377 HydrophobicContact CZ2-CB 3.6Å; W334-A378 HydrophobicContact CZ2-CB 4.25Å; W334-I381 HydrophobicContact CZ2-CD1 4.26Å
335P90Very high89.1Confident2 Ų226 Ų261%0.01314%0.14CC..Hα-helixtrans-60.4-36.9-175.3-24.936.9000112N331 R337 A338 I339 A378 I381 I382N331-P335 WeakPolarHBondContact O-CD 3.1Å; N331-P335 VanDerWaalsContact O-CG 3.27Å; N331-P335 WeakPolarHBondContact O-CG 3.35Å; P335-R337 VanDerWaalsContact C-N 3.33Å; P335-R337 PolarHBondContact O-N 2.74Å; P335-A338 WeakPolarHBondContact O-CB 3.12Å; P335-A338 PolarHBondContact O-N 3Å; P335-I339 WeakPolarHBondContact O-CB 3.44Å; P335-I339 WeakPolarHBondContact O-CD1 3.48Å; P335-I339 VanDerWaalsContact O-CG1 3.27Å; P335-I339 WeakPolarHBondContact O-CG1 3.29Å; P335-I339 PolarHBondContact O-N 3.14Å; P335-A378 HydrophobicContact CB-CB 3.88Å; P335-I381 HydrophobicContact CG-CG2 4.1Å; P335-I382 HydrophobicContact CB-CD1 4.16Å; P335-I382 HydrophobicContact CB-CG1 4.28Å
336A86.6Confident89.5Confident54 Ų5425.9 Ų25.945%0.44614%0.136SC..Hα-helixtrans-62.2-39.8177.200000112V333 W334 L340V333-A336 PolarHBondContact O-N 2.78Å; W334-A336 VanDerWaalsContact C-N 3.25Å; W334-A336 PolarHBondContact O-N 2.77Å; A336-L340 WeakPolarHBondContact O-CB 3.5Å; A336-L340 PolarHBondContact O-N 3.3Å
337R89.4Confident89.7Confident58 Ų5826.4 Ų26.422%0.21914%0.139CC..Hα-helixtrans-72.3-33.9176.9-58.6-56.8-178-177.1-1.8112.3E280 I284 T287 W288 W334 P335 L340 L341E280-R337 IonicContact OE2-CZ 3.05Å; E280-R337 IonicContact OE2-NH2 3.27Å; E280-R337 PolarHBondContact OE2-NH2 3.46Å; I284-R337 HydrophobicContact CG1-CG 4.28Å; T287-R337 HydrophobicContact CG2-CB 4.43Å; W288-R337 PolarHBondContact NE1-O 2.9Å; W288-R337 VanDerWaalsContact NE1-O 3.14Å; W334-R337 PolarHBondContact O-N 2.88Å; P335-R337 VanDerWaalsContact C-N 3.33Å; P335-R337 PolarHBondContact O-N 2.74Å; R337-L340 PolarHBondContact O-N 2.96Å; R337-L341 PolarHBondContact O-N 3.27Å
338A93.2Very high89.8Confident0 Ų023.2 Ų23.20%013%0.127CC..Hα-helixtrans-65.2-45.5174.400000112.3T287 W334 P335 L340 L341 C374 A378T287-A338 HydrophobicContact CG2-CB 3.97Å; W334-A338 HydrophobicContact CD2-CB 4.34Å; W334-A338 HydrophobicContact CE3-CB 3.79Å; W334-A338 HydrophobicContact CH2-CB 3.58Å; W334-A338 HydrophobicContact CZ2-CB 4.18Å; W334-A338 HydrophobicContact CZ3-CB 3.39Å; W334-A338 PolarHBondContact O-N 3.12Å; P335-A338 WeakPolarHBondContact O-CB 3.12Å; P335-A338 PolarHBondContact O-N 3Å; A338-L340 VanDerWaalsContact C-N 3.34Å; A338-L341 WeakPolarHBondContact O-CB 3.39Å; A338-L341 PolarHBondContact O-N 3.49Å; A338-C374 HydrophobicContact CB-CB 3.93Å; A338-A378 HydrophobicContact CB-CB 3.88Å
339I92.1Very high90.1Very high8 Ų821.1 Ų21.14%0.04111%0.113CC..Hα-helixtrans-65-40.4176.8-70.2156.9000110.6V205 L209 A228 P335 L341 G342 G343 A378 I382V205-I339 HydrophobicContact CG1-CG2 3.75Å; L209-I339 HydrophobicContact CD1-CG2 4.03Å; A228-I339 HydrophobicContact CB-CD1 3.45Å; A228-I339 VanDerWaalsContact CB-CD1 3.45Å; A228-I339 HydrophobicContact CB-CG1 3.94Å; A228-I339 HydrophobicContact CB-CG2 4.14Å; P335-I339 WeakPolarHBondContact O-CB 3.44Å; P335-I339 WeakPolarHBondContact O-CD1 3.48Å; P335-I339 VanDerWaalsContact O-CG1 3.27Å; P335-I339 WeakPolarHBondContact O-CG1 3.29Å; P335-I339 PolarHBondContact O-N 3.14Å; I339-L341 VanDerWaalsContact C-N 3.27Å; I339-L341 PolarHBondContact O-N 3.43Å; I339-G342 PolarHBondContact O-N 3.03Å; I339-G343 PolarHBondContact O-N 2.84Å; I339-A378 HydrophobicContact CD1-CB 4.4Å; I339-A378 HydrophobicContact CG1-CB 4.17Å; I339-I382 HydrophobicContact CD1-CD1 3.79Å
340L91Very high90.2Very high20 Ų2022.8 Ų22.811%0.10513%0.132CC..Hα-helixtrans-58.7-37178-172.962.2000112.5I201 M204 V205 W288 A336 R337 A338 G342 G343 M344I201-L340 HydrophobicContact CD1-CD1 3.95Å; M204-L340 HydrophobicContact CE-CD1 3.87Å; V205-L340 HydrophobicContact CG2-CD1 3.7Å; W288-L340 HydrophobicContact CZ2-CB 4.34Å; W288-L340 HydrophobicContact CZ2-CD2 3.9Å; W288-L340 HydrophobicContact CZ2-CG 3.85Å; A336-L340 WeakPolarHBondContact O-CB 3.5Å; A336-L340 PolarHBondContact O-N 3.3Å; R337-L340 PolarHBondContact O-N 2.96Å; A338-L340 VanDerWaalsContact C-N 3.34Å; L340-G342 VanDerWaalsContact C-N 3.33Å; L340-G342 PolarHBondContact O-N 2.74Å; L340-G343 CarbonylContact O-C 3.54Å; L340-G343 PolarHBondContact O-N 3.47Å; L340-M344 HydrophobicContact CD1-CG 4.06Å; L340-M344 HydrophobicContact CD1-SD 3.9Å; L340-M344 HydrophobicContact CD2-SD 4.43Å; L340-M344 HydrophobicContact CG-CG 4.36Å; L340-M344 HydrophobicContact CG-SD 3.97Å; L340-M344 WeakPolarHBondContact O-CB 3.44Å; L340-M344 WeakPolarHBondContact O-CG 3.36Å; L340-M344 PolarHBondContact O-N 2.88Å
341L94.6Very high90Very high0 Ų025.3 Ų25.30%015%0.147CC..Hα-helixtrans-58.9-44.9174179.260.4000111.6T287 W288 R337 A338 I339 M344 L345 L348 M367 R370 A371 C374T287-L341 WeakPolarHBondContact O-CD2 3.39Å; W288-L341 HydrophobicContact CD2-CD1 4.15Å; W288-L341 HydrophobicContact CG-CD1 4.09Å; R337-L341 PolarHBondContact O-N 3.27Å; A338-L341 WeakPolarHBondContact O-CB 3.39Å; A338-L341 PolarHBondContact O-N 3.49Å; I339-L341 VanDerWaalsContact C-N 3.27Å; I339-L341 PolarHBondContact O-N 3.43Å; L341-M344 PolarHBondContact O-N 3.16Å; L341-L345 WeakPolarHBondContact O-CB 3.38Å; L341-L345 PolarHBondContact O-N 2.78Å; L341-L348 HydrophobicContact CD1-CD1 3.91Å; L341-M367 HydrophobicContact CD1-CE 3.96Å; L341-R370 HydrophobicContact CD2-CG 3.92Å; L341-A371 HydrophobicContact CD2-CB 4.32Å; L341-A371 HydrophobicContact CG-CB 4.15Å; L341-C374 HydrophobicContact CD2-CB 4.46Å
342G93.1Very high90Very high0 Ų024.3 Ų24.30%014%0.143CC..Hα-helixtrans-61.9-43.9175.900000112I339 L340 M344 L345I339-G342 PolarHBondContact O-N 3.03Å; L340-G342 VanDerWaalsContact C-N 3.33Å; L340-G342 PolarHBondContact O-N 2.74Å; G342-M344 VanDerWaalsContact C-N 3.3Å; G342-M344 PolarHBondContact O-N 2.85Å; G342-L345 PolarHBondContact O-N 3.46Å
343G91.2Very high90.4Very high6 Ų621.8 Ų21.86%0.06213%0.131CC..Hα-helixtrans-65-27.6176.300000114.6G208 I339 L340G208-G343 WeakPolarHBondContact CA-O 3.48Å; I339-G343 PolarHBondContact O-N 2.84Å; L340-G343 CarbonylContact O-C 3.54Å; L340-G343 PolarHBondContact O-N 3.47Å
344M91.7Very high90.7Very high29 Ų2925.7 Ų25.714%0.14315%0.147CC..Hα-helixtrans-102.4-6.2-179.2-67.2-171.870.100113.8M204 W288 L340 L341 G342 Q346 M347 L348M204-M344 HydrophobicContact CE-CG 3.72Å; M204-M344 HydrophobicContact CE-SD 3.86Å; M204-M344 HydrophobicContact SD-CG 4.3Å; W288-M344 HydrophobicContact CH2-CE 4.39Å; W288-M344 HydrophobicContact CH2-SD 3.65Å; W288-M344 HydrophobicContact CZ2-SD 4.23Å; L340-M344 HydrophobicContact CD1-CG 4.06Å; L340-M344 HydrophobicContact CD1-SD 3.9Å; L340-M344 HydrophobicContact CD2-SD 4.43Å; L340-M344 HydrophobicContact CG-CG 4.36Å; L340-M344 HydrophobicContact CG-SD 3.97Å; L340-M344 WeakPolarHBondContact O-CB 3.44Å; L340-M344 WeakPolarHBondContact O-CG 3.36Å; L340-M344 PolarHBondContact O-N 2.88Å; L341-M344 PolarHBondContact O-N 3.16Å; G342-M344 VanDerWaalsContact C-N 3.3Å; G342-M344 PolarHBondContact O-N 2.85Å; M344-Q346 VanDerWaalsContact C-N 3.3Å; M344-Q346 PolarHBondContact O-N 3.27Å; M344-M347 HydrophobicContact CE-SD 4.12Å; M344-M347 WeakPolarHBondContact O-CB 3.47Å; M344-M347 PolarHBondContact O-N 2.74Å; M344-L348 HydrophobicContact CB-CD1 4.04Å; M344-L348 HydrophobicContact CB-CG 4.24Å; M344-L348 VanDerWaalsContact O-CG 3.31Å; M344-L348 WeakPolarHBondContact O-CG 3.49Å; M344-L348 PolarHBondContact O-N 3.13Å
345L94.9Very high90.8Very high0 Ų028.2 Ų28.20%016%0.161CC..Hα-helixtrans-53.5-46.2-171.8178.160.9000112.6W211 L212 L341 G342 M347 L348 L349 M367 V368 A371W211-L345 HydrophobicContact CZ3-CB 4.44Å; W211-L345 HydrophobicContact CZ3-CD2 4Å; W211-L345 HydrophobicContact CZ3-CG 4.09Å; L212-L345 HydrophobicContact CD1-CD2 3.66Å; L341-L345 WeakPolarHBondContact O-CB 3.38Å; L341-L345 PolarHBondContact O-N 2.78Å; G342-L345 PolarHBondContact O-N 3.46Å; L345-M347 VanDerWaalsContact C-N 3.28Å; L345-M347 PolarHBondContact O-N 2.9Å; L345-L348 PolarHBondContact O-N 2.72Å; L345-L349 HydrophobicContact CD1-CD1 4.38Å; L345-L349 HydrophobicContact CD1-CD2 4.43Å; L345-L349 HydrophobicContact CD1-CG 4.15Å; L345-L349 HydrophobicContact CG-CD1 4.28Å; L345-L349 HydrophobicContact CG-CG 4.48Å; L345-L349 WeakPolarHBondContact O-CG 3.27Å; L345-L349 PolarHBondContact O-N 2.74Å; L345-L349 VanDerWaalsContact O-N 3.08Å; L345-M367 HydrophobicContact CD1-CB 3.7Å; L345-M367 HydrophobicContact CD1-CE 4.32Å; L345-V368 HydrophobicContact CD2-CG2 4.05Å; L345-A371 HydrophobicContact CD2-CB 3.8Å
346Q92.7Very high90.8Very high96 Ų9635.1 Ų35.145%0.44920%0.198SC..Hα-helixtrans-58.1-41.7-180-173.2-176.69.200112.2W211 M344W211-Q346 VanDerWaalsContact CD1-CD 3.42Å; W211-Q346 HydrophobicContact CD2-CB 3.77Å; W211-Q346 HydrophobicContact CD2-CG 3.94Å; W211-Q346 HydrophobicContact CE3-CB 3.84Å; W211-Q346 HydrophobicContact CE3-CG 4.47Å; W211-Q346 HydrophobicContact CG-CB 4.24Å; W211-Q346 HydrophobicContact CG-CG 4.21Å; W211-Q346 HydrophobicContact CH2-CB 4.43Å; W211-Q346 HydrophobicContact CZ2-CB 4.36Å; W211-Q346 HydrophobicContact CZ2-CG 4.15Å; W211-Q346 HydrophobicContact CZ3-CB 4.17Å; M344-Q346 VanDerWaalsContact C-N 3.3Å; M344-Q346 PolarHBondContact O-N 3.27Å
347M88.1Confident90.9Very high15 Ų1533.9 Ų33.97%0.07419%0.186CC..Hα-helixtrans-70.6-37.7179.5-177.4-174.1-59.900111.8L79 Q82 L83 E86 M204 M344 L345 L349 T351L79-M347 HydrophobicContact CD1-CG 4.3Å; L79-M347 HydrophobicContact CD1-SD 3.63Å; Q82-M347 HydrophobicContact CG-CE 3.98Å; L83-M347 HydrophobicContact CD2-CE 3.86Å; L83-M347 HydrophobicContact CD2-SD 4Å; L83-M347 HydrophobicContact CG-CE 4.37Å; L83-M347 HydrophobicContact CG-SD 4.34Å; E86-M347 HydrophobicContact CG-CE 4.4Å; M204-M347 HydrophobicContact SD-CE 4.28Å; M344-M347 HydrophobicContact CE-SD 4.12Å; M344-M347 WeakPolarHBondContact O-CB 3.47Å; M344-M347 PolarHBondContact O-N 2.74Å; L345-M347 VanDerWaalsContact C-N 3.28Å; L345-M347 PolarHBondContact O-N 2.9Å; M347-L349 VanDerWaalsContact C-N 3.32Å; M347-L349 PolarHBondContact O-N 3.02Å; M347-T351 WeakPolarHBondContact O-CG2 3.33Å; M347-T351 PolarHBondContact O-OG1 2.76Å
348L91.3Very high91.1Very high6 Ų637.5 Ų37.53%0.03122%0.217CC..Hα-helixtrans-68.6-31.3-179.4-66.8170.9000112.4L154 W246 W288 L341 M344 L345 G350 T351 A352 V353L154-L348 HydrophobicContact CD2-CD1 3.99Å; L154-L348 HydrophobicContact CD2-CD2 4.15Å; L154-L348 HydrophobicContact CD2-CG 4.47Å; W246-L348 HydrophobicContact CH2-CD2 4.38Å; W246-L348 HydrophobicContact CZ3-CD2 3.79Å; W288-L348 HydrophobicContact CE3-CD1 4.46Å; W288-L348 HydrophobicContact CZ3-CD1 4.17Å; W288-L348 HydrophobicContact CZ3-CD2 4.37Å; L341-L348 HydrophobicContact CD1-CD1 3.91Å; M344-L348 HydrophobicContact CB-CD1 4.04Å; M344-L348 HydrophobicContact CB-CG 4.24Å; M344-L348 VanDerWaalsContact O-CG 3.31Å; M344-L348 WeakPolarHBondContact O-CG 3.49Å; M344-L348 PolarHBondContact O-N 3.13Å; L345-L348 PolarHBondContact O-N 2.72Å; L348-G350 PolarHBondContact O-N 3.39Å; L348-T351 WeakPolarHBondContact CA-OG1 3.43Å; L348-T351 PolarHBondContact O-N 3.27Å; L348-T351 PolarHBondContact O-OG1 3.3Å; L348-A352 HydrophobicContact CD2-CB 3.88Å; L348-A352 PolarHBondContact O-N 3.46Å; L348-A352 VanDerWaalsContact O-N 3.12Å; L348-V353 PolarHBondContact O-N 2.63Å
349L92.1Very high91.2Very high30 Ų3041.8 Ų41.816%0.15724%0.24CC..BIsolated β-bridgetrans-68114.1175.7-70.7177.3000110.7W211 L345 M347 V353 L355 T364 M367W211-L349 HydrophobicContact CH2-CD1 3.9Å; L345-L349 HydrophobicContact CD1-CD1 4.38Å; L345-L349 HydrophobicContact CD1-CD2 4.43Å; L345-L349 HydrophobicContact CD1-CG 4.15Å; L345-L349 HydrophobicContact CG-CD1 4.28Å; L345-L349 HydrophobicContact CG-CG 4.48Å; L345-L349 WeakPolarHBondContact O-CG 3.27Å; L345-L349 PolarHBondContact O-N 2.74Å; L345-L349 VanDerWaalsContact O-N 3.08Å; M347-L349 VanDerWaalsContact C-N 3.32Å; M347-L349 PolarHBondContact O-N 3.02Å; L349-V353 HydrophobicContact CD2-CB 4.31Å; L349-V353 HydrophobicContact CD2-CG1 4.26Å; L349-V353 HydrophobicContact CD2-CG2 4.37Å; L349-L355 HydrophobicContact CB-CD1 4.12Å; L349-T364 HydrophobicContact CD1-CG2 4.14Å; L349-T364 HydrophobicContact CD2-CG2 4.13Å; L349-M367 HydrophobicContact CD2-CB 4.4Å
350G87.3Confident91.4Very high49 Ų4942.5 Ų42.551%0.50525%0.247SC..THydrogen-bonded Turntrans92.5-5.8-178.700000114.7L348 V353L348-G350 PolarHBondContact O-N 3.39Å; G350-V353 VanDerWaalsContact CA-O 3.29Å; G350-V353 WeakPolarHBondContact CA-O 3.2Å; G350-V353 PolarHBondContact N-O 3.11Å
351T85.8Confident91.7Very high56 Ų5650.3 Ų50.334%0.34428%0.28SS..THydrogen-bonded Turntrans-111.3-71.5172.758.10000110.3M347 L348M347-T351 WeakPolarHBondContact O-CG2 3.33Å; M347-T351 PolarHBondContact O-OG1 2.76Å; L348-T351 WeakPolarHBondContact CA-OG1 3.43Å; L348-T351 PolarHBondContact O-N 3.27Å; L348-T351 PolarHBondContact O-OG1 3.3Å
352A88.2Confident91.8Very high7 Ų755.5 Ų55.56%0.05830%0.304CS..THydrogen-bonded Turntrans-84.4-18.717800000113.3D153 L154 W246 L348D153-A352 WeakPolarHBondContact CB-O 3.5Å; L154-A352 HydrophobicContact CB-CB 4.37Å; L154-A352 HydrophobicContact CD2-CB 4.24Å; L154-A352 PolarHBondContact N-O 3.42Å; W246-A352 HydrophobicContact CE3-CB 4.42Å; W246-A352 HydrophobicContact CH2-CB 3.5Å; W246-A352 VanDerWaalsContact CH2-CB 3.5Å; W246-A352 HydrophobicContact CZ3-CB 3.26Å; L348-A352 HydrophobicContact CD2-CB 3.88Å; L348-A352 PolarHBondContact O-N 3.46Å; L348-A352 VanDerWaalsContact O-N 3.12Å
353V91.6Very high92Very high0 Ų056.6 Ų56.60%031%0.308CS..BIsolated β-bridgetrans-110.2115.6174.7-177.10000107L154 L348 L349 G350 L355 R363 M367L154-V353 HydrophobicContact CB-CG2 4.21Å; L348-V353 PolarHBondContact O-N 2.63Å; L349-V353 HydrophobicContact CD2-CB 4.31Å; L349-V353 HydrophobicContact CD2-CG1 4.26Å; L349-V353 HydrophobicContact CD2-CG2 4.37Å; G350-V353 VanDerWaalsContact CA-O 3.29Å; G350-V353 WeakPolarHBondContact CA-O 3.2Å; G350-V353 PolarHBondContact N-O 3.11Å; V353-L355 HydrophobicContact CG1-CD2 3.84Å; V353-L355 PolarHBondContact O-N 3.39Å; V353-R363 HydrophobicContact CG1-CB 3.89Å; V353-M367 HydrophobicContact CG1-CG 4.41Å; V353-M367 HydrophobicContact CG2-CE 4.48Å; V353-M367 HydrophobicContact CG2-CG 3.72Å; V353-M367 HydrophobicContact CG2-SD 4.21Å
354K90.1Very high92.3Very high93 Ų9357.8 Ų57.840%0.40432%0.315SS..  trans-80.5105.3-174-62.6167.2-178.1164.20109.2E152 D153 D356 R363E152-K354 WeakPolarHBondContact O-CE 3.26Å; E152-K354 PolarHBondContact O-NZ 2.73Å; D153-K354 HydrophobicContact CB-CD 4.3Å; D153-K354 HydrophobicContact CB-CG 4.26Å; D153-K354 PolarHBondContact OD2-N 3.03Å; K354-D356 WeakPolarHBondContact CB-OD1 3.41Å; K354-R363 VanDerWaalsContact CB-NH1 3.34Å; K354-R363 WeakPolarHBondContact O-CD 3.43Å; K354-R363 PolarHBondContact O-NH1 3.3Å
355L91.2Very high92.6Very high63 Ų6359.5 Ų59.533%0.3332%0.322SS..  trans-95.8-1.4-178.6-58.8-175.5000113.1L349 V353 S357 A360 T364L349-L355 HydrophobicContact CB-CD1 4.12Å; V353-L355 HydrophobicContact CG1-CD2 3.84Å; V353-L355 PolarHBondContact O-N 3.39Å; L355-S357 PolarHBondContact O-N 3.24Å; L355-A360 HydrophobicContact CB-CB 4.23Å; L355-A360 HydrophobicContact CD2-CB 4.23Å; L355-A360 VanDerWaalsContact O-CB 3.23Å; L355-A360 WeakPolarHBondContact O-CB 3.44Å; L355-T364 WeakPolarHBondContact CD2-OG1 3.37Å
356D90Very high92.7Very high147 Ų14762.1 Ų62.179%0.78634%0.336SS*.SBendtrans-84.734.5170.864.1-34000112K354K354-D356 WeakPolarHBondContact CB-OD1 3.41Å
357S89.3Confident93Very high28 Ų2857.6 Ų57.620%0.19632%0.315CS..SBendtrans-130.8158.9-179.384.90000112.3L355 D359 A360L355-S357 PolarHBondContact O-N 3.24Å; S357-D359 PolarHBondContact O-N 3.47Å; S357-D359 VanDerWaalsContact O-N 3.1Å; S357-D359 PolarHBondContact OG-N 3.42Å; S357-A360 WeakPolarHBondContact O-CB 3.13Å; S357-A360 PolarHBondContact O-N 3.01Å; S357-A360 VanDerWaalsContact O-N 3.11Å
358P93.8Very high93.4Very high135 Ų13556.9 Ų56.988%0.87731%0.312SS*.THydrogen-bonded Turntrans-56.9-24.6173.8-24.935.2000113.7
359D95.2Very high93.7Very high90 Ų9060.1 Ų60.148%0.48133%0.329SS..THydrogen-bonded Turntrans-91.45.2-177.6-57.5-52.2000113.4S357 K361 Q362 R363S357-D359 PolarHBondContact O-N 3.47Å; S357-D359 VanDerWaalsContact O-N 3.1Å; S357-D359 PolarHBondContact OG-N 3.42Å; D359-K361 VanDerWaalsContact C-N 3.25Å; D359-K361 PolarHBondContact O-N 2.87Å; D359-K361 VanDerWaalsContact O-N 3.09Å; D359-Q362 WeakPolarHBondContact O-CA 3.47Å; D359-Q362 WeakPolarHBondContact O-CB 3.4Å; D359-Q362 PolarHBondContact O-N 2.64Å; D359-R363 HydrophobicContact CB-CG 4.21Å; D359-R363 WeakPolarHBondContact O-CG 3.4Å; D359-R363 PolarHBondContact O-N 3.49Å
360A96.4Very high94Very high22 Ų2259 Ų5918%0.18232%0.323CS..Hα-helixtrans-47-45.9-174.200000113.3L355 S357 Q362 R363 T364L355-A360 HydrophobicContact CB-CB 4.23Å; L355-A360 HydrophobicContact CD2-CB 4.23Å; L355-A360 VanDerWaalsContact O-CB 3.23Å; L355-A360 WeakPolarHBondContact O-CB 3.44Å; S357-A360 WeakPolarHBondContact O-CB 3.13Å; S357-A360 PolarHBondContact O-N 3.01Å; S357-A360 VanDerWaalsContact O-N 3.11Å; A360-Q362 PolarHBondContact O-N 3.25Å; A360-R363 PolarHBondContact O-N 3.42Å; A360-T364 PolarHBondContact O-N 3.2Å; A360-T364 PolarHBondContact O-OG1 3.43Å; A360-T364 VanDerWaalsContact O-OG1 3.05Å
361K96.8Very high94.5Very high185 Ų18556.7 Ų56.780%0.80430%0.299SS*.Hα-helixtrans-61.4-44178.3-174.6179.8178.4-177.40112.5D359 E365D359-K361 VanDerWaalsContact C-N 3.25Å; D359-K361 PolarHBondContact O-N 2.87Å; D359-K361 VanDerWaalsContact O-N 3.09Å; K361-E365 WeakPolarHBondContact O-CB 3.33Å; K361-E365 PolarHBondContact O-N 3.12Å
362Q97.6Very high95Very high109 Ų10954.3 Ų54.351%0.50928%0.284SS..Hα-helixtrans-67.7-39.8178.6-175.259.651.500110.9D359 A360 E365 N366D359-Q362 WeakPolarHBondContact O-CA 3.47Å; D359-Q362 WeakPolarHBondContact O-CB 3.4Å; D359-Q362 PolarHBondContact O-N 2.64Å; A360-Q362 PolarHBondContact O-N 3.25Å; Q362-E365 PolarHBondContact O-N 2.94Å; Q362-N366 PolarHBondContact NE2-OD1 2.79Å; Q362-N366 WeakPolarHBondContact O-CB 3.42Å; Q362-N366 PolarHBondContact O-N 2.71Å; Q362-N366 PolarHBondContact O-OD1 3.2Å
363R97.1Very high95.4Very high22 Ų2254.4 Ų54.48%0.08329%0.285CS..Hα-helixtrans-64.5-44.7178.1-64.4178.7172-159.2-9.9111.8E152 D153 S155 V353 K354 D359 A360 N366 M367E152-R363 IonicContact OE2-CZ 3.58Å; E152-R363 IonicContact OE2-NH2 2.97Å; E152-R363 PolarHBondContact OE2-NH2 2.93Å; D153-R363 WeakPolarHBondContact OD2-CD 3.44Å; D153-R363 IonicContact OD2-CZ 3.13Å; D153-R363 VanDerWaalsContact OD2-CZ 3.29Å; D153-R363 IonicContact OD2-NE 2.84Å; D153-R363 IonicContact OD2-NH1 3.43Å; D153-R363 PolarHBondContact OD2-NH1 2.94Å; S155-R363 WeakPolarHBondContact OG-CB 3.34Å; S155-R363 VanDerWaalsContact OG-CG 3.28Å; S155-R363 WeakPolarHBondContact OG-CG 3.35Å; V353-R363 HydrophobicContact CG1-CB 3.89Å; K354-R363 VanDerWaalsContact CB-NH1 3.34Å; K354-R363 WeakPolarHBondContact O-CD 3.43Å; K354-R363 PolarHBondContact O-NH1 3.3Å; D359-R363 HydrophobicContact CB-CG 4.21Å; D359-R363 WeakPolarHBondContact O-CG 3.4Å; D359-R363 PolarHBondContact O-N 3.49Å; A360-R363 PolarHBondContact O-N 3.42Å; R363-N366 PolarHBondContact O-N 3.24Å; R363-M367 WeakPolarHBondContact O-CG 3.45Å; R363-M367 PolarHBondContact O-N 2.91Å; R363-M367 VanDerWaalsContact O-N 3.17Å
364T97.3Very high95.7Very high32 Ų3254.4 Ų54.420%0.19629%0.285CS..Hα-helixtrans-58.1-49171.7-59.10000111L349 L355 A360 N366 M367 V368L349-T364 HydrophobicContact CD1-CG2 4.14Å; L349-T364 HydrophobicContact CD2-CG2 4.13Å; L355-T364 WeakPolarHBondContact CD2-OG1 3.37Å; A360-T364 PolarHBondContact O-N 3.2Å; A360-T364 PolarHBondContact O-OG1 3.43Å; A360-T364 VanDerWaalsContact O-OG1 3.05Å; T364-N366 VanDerWaalsContact C-N 3.35Å; T364-N366 PolarHBondContact O-N 3.45Å; T364-M367 PolarHBondContact O-N 3.1Å; T364-V368 HydrophobicContact CG2-CG2 4.17Å; T364-V368 VanDerWaalsContact O-CG2 3.29Å; T364-V368 WeakPolarHBondContact O-CG2 3.29Å; T364-V368 PolarHBondContact O-N 3.34Å
365E97.6Very high95.9Very high64 Ų6450 Ų5030%0.29927%0.266SS..Hα-helixtrans-64.5-37.2-178.2-176.155.4-152.300112.5R219 K361 Q362 M367 V368 N369R219-E365 IonicContact CZ-OE1 2.99Å; R219-E365 VanDerWaalsContact CZ-OE1 3.27Å; R219-E365 IonicContact CZ-OE2 3.65Å; R219-E365 IonicContact NH1-OE1 2.71Å; R219-E365 PolarHBondContact NH1-OE1 3.48Å; R219-E365 IonicContact NH1-OE2 3.4Å; R219-E365 PolarHBondContact NH1-OE2 3.4Å; R219-E365 IonicContact NH2-OE1 3.63Å; R219-E365 PolarHBondContact NH2-OE1 3.11Å; R219-E365 IonicContact NH2-OE2 3Å; K361-E365 WeakPolarHBondContact O-CB 3.33Å; K361-E365 PolarHBondContact O-N 3.12Å; Q362-E365 PolarHBondContact O-N 2.94Å; E365-M367 VanDerWaalsContact C-N 3.34Å; E365-M367 PolarHBondContact O-N 3.1Å; E365-V368 PolarHBondContact O-N 2.94Å; E365-N369 WeakPolarHBondContact O-CB 3.33Å; E365-N369 PolarHBondContact O-N 2.8Å; E365-N369 PolarHBondContact O-ND2 3.37Å; E365-N369 PolarHBondContact OE1-ND2 2.77Å
366N97.7Very high96.1Very high56 Ų5647.5 Ų47.530%0.29925%0.253SS..Hα-helixtrans-59.2-45.3173.1-73-9.2000111.5Q362 R363 T364 R370Q362-N366 PolarHBondContact NE2-OD1 2.79Å; Q362-N366 WeakPolarHBondContact O-CB 3.42Å; Q362-N366 PolarHBondContact O-N 2.71Å; Q362-N366 PolarHBondContact O-OD1 3.2Å; R363-N366 PolarHBondContact O-N 3.24Å; T364-N366 VanDerWaalsContact C-N 3.35Å; T364-N366 PolarHBondContact O-N 3.45Å; N366-R370 WeakPolarHBondContact O-CB 3.29Å; N366-R370 PolarHBondContact O-N 2.86Å
367M97.8Very high96.3Very high0 Ų042 Ų420%022%0.223CC..Hα-helixtrans-70.1-41.8-179.8-69.4-60.6-55.100112.5L154 L341 L345 L349 V353 R363 T364 E365 R370 A371L154-M367 HydrophobicContact CD2-CE 3.69Å; L154-M367 HydrophobicContact CD2-SD 4.43Å; L154-M367 HydrophobicContact CG-CE 3.89Å; L154-M367 HydrophobicContact CG-SD 4.04Å; L341-M367 HydrophobicContact CD1-CE 3.96Å; L345-M367 HydrophobicContact CD1-CB 3.7Å; L345-M367 HydrophobicContact CD1-CE 4.32Å; L349-M367 HydrophobicContact CD2-CB 4.4Å; V353-M367 HydrophobicContact CG1-CG 4.41Å; V353-M367 HydrophobicContact CG2-CE 4.48Å; V353-M367 HydrophobicContact CG2-CG 3.72Å; V353-M367 HydrophobicContact CG2-SD 4.21Å; R363-M367 WeakPolarHBondContact O-CG 3.45Å; R363-M367 PolarHBondContact O-N 2.91Å; R363-M367 VanDerWaalsContact O-N 3.17Å; T364-M367 PolarHBondContact O-N 3.1Å; E365-M367 VanDerWaalsContact C-N 3.34Å; E365-M367 PolarHBondContact O-N 3.1Å; M367-R370 PolarHBondContact O-N 3.17Å; M367-R370 PolarHBondContact SD-NH1 2.58Å; M367-A371 WeakPolarHBondContact O-CB 3.46Å; M367-A371 PolarHBondContact O-N 3.11Å
368V97.7Very high96.5Very high0 Ų040.7 Ų40.70%021%0.214CC..Hα-helixtrans-61-47.2175.5171.60000110.4Y216 L345 T364 E365 R370 A371 L372Y216-V368 HydrophobicContact CD1-CG1 3.78Å; Y216-V368 HydrophobicContact CD2-CG1 4.08Å; Y216-V368 HydrophobicContact CE1-CG1 3.76Å; Y216-V368 HydrophobicContact CE1-CG2 4.16Å; Y216-V368 HydrophobicContact CE2-CG1 4.06Å; Y216-V368 HydrophobicContact CE2-CG2 3.86Å; Y216-V368 HydrophobicContact CG-CG1 3.94Å; Y216-V368 WeakPolarHBondContact OH-CG2 3.18Å; L345-V368 HydrophobicContact CD2-CG2 4.05Å; T364-V368 HydrophobicContact CG2-CG2 4.17Å; T364-V368 VanDerWaalsContact O-CG2 3.29Å; T364-V368 WeakPolarHBondContact O-CG2 3.29Å; T364-V368 PolarHBondContact O-N 3.34Å; E365-V368 PolarHBondContact O-N 2.94Å; V368-R370 VanDerWaalsContact C-N 3.31Å; V368-R370 PolarHBondContact O-N 3.27Å; V368-A371 PolarHBondContact O-N 2.84Å; V368-L372 HydrophobicContact CG1-CD1 3.69Å; V368-L372 HydrophobicContact CG1-CG 4.29Å; V368-L372 WeakPolarHBondContact O-CB 3.36Å; V368-L372 VanDerWaalsContact O-CG 3.27Å; V368-L372 WeakPolarHBondContact O-CG 3.14Å; V368-L372 PolarHBondContact O-N 2.82Å
369N97.7Very high96.4Very high74 Ų7434.3 Ų34.340%0.39617%0.173SC..Hα-helixtrans-58.1-43.8175.3-82-51.2000112.1R219 E365 A373R219-N369 PolarHBondContact NH2-OD1 2.58Å; E365-N369 WeakPolarHBondContact O-CB 3.33Å; E365-N369 PolarHBondContact O-N 2.8Å; E365-N369 PolarHBondContact O-ND2 3.37Å; E365-N369 PolarHBondContact OE1-ND2 2.77Å; N369-A373 VanDerWaalsContact O-CB 3.26Å; N369-A373 WeakPolarHBondContact O-CB 3.25Å; N369-A373 PolarHBondContact O-N 3.17Å
370R97.9Very high96.2Very high7 Ų733.8 Ų33.83%0.02617%0.173CC..Hα-helixtrans-63.2-48.8179-170.4-179.5-61.5139.211111.5L154 S155 T287 W288 A290 L341 N366 M367 V368 A373 C374L154-R370 PolarHBondContact O-NH1 3.42Å; S155-R370 PolarHBondContact O-NH2 3.13Å; T287-R370 VanDerWaalsContact O-CD 3.25Å; T287-R370 WeakPolarHBondContact O-CD 3.36Å; T287-R370 WeakPolarHBondContact O-CG 3.42Å; W288-R370 VanDerWaalsContact O-CD 3.23Å; W288-R370 WeakPolarHBondContact O-CD 3.39Å; W288-R370 PolarHBondContact O-NH1 2.91Å; A290-R370 VanDerWaalsContact O-CD 3.24Å; A290-R370 WeakPolarHBondContact O-CD 3.11Å; A290-R370 PolarHBondContact O-NE 2.69Å; L341-R370 HydrophobicContact CD2-CG 3.92Å; N366-R370 WeakPolarHBondContact O-CB 3.29Å; N366-R370 PolarHBondContact O-N 2.86Å; M367-R370 PolarHBondContact O-N 3.17Å; M367-R370 PolarHBondContact SD-NH1 2.58Å; V368-R370 VanDerWaalsContact C-N 3.31Å; V368-R370 PolarHBondContact O-N 3.27Å; R370-A373 PolarHBondContact O-N 3.43Å; R370-C374 VanDerWaalsContact O-CB 3.31Å; R370-C374 WeakPolarHBondContact O-CB 3.49Å; R370-C374 PolarHBondContact O-N 2.77Å
371A97.4Very high95.8Very high0 Ų034.4 Ų34.40%017%0.172CC..Hα-helixtrans-63.5-46.1-178.900000112.4L341 L345 M367 V368 C374 Y375L341-A371 HydrophobicContact CD2-CB 4.32Å; L341-A371 HydrophobicContact CG-CB 4.15Å; L345-A371 HydrophobicContact CD2-CB 3.8Å; M367-A371 WeakPolarHBondContact O-CB 3.46Å; M367-A371 PolarHBondContact O-N 3.11Å; V368-A371 PolarHBondContact O-N 2.84Å; A371-C374 WeakPolarHBondContact O-CB 3.4Å; A371-C374 PolarHBondContact O-N 3.09Å; A371-Y375 WeakPolarHBondContact O-CB 3.2Å; A371-Y375 PolarHBondContact O-N 3.46Å
372L97Very high95.3Very high6 Ų625.9 Ų25.93%0.03114%0.136CC..Hα-helixtrans-61.1-48.1176.9-70.3170.8000111.4L212 R219 M220 V368 C374 Y375 D376L212-L372 HydrophobicContact CD1-CD2 4.2Å; L212-L372 HydrophobicContact CD2-CD2 4.12Å; L212-L372 HydrophobicContact CG-CD2 4.13Å; R219-L372 HydrophobicContact CB-CD1 3.69Å; M220-L372 HydrophobicContact CG-CD2 3.51Å; V368-L372 HydrophobicContact CG1-CD1 3.69Å; V368-L372 HydrophobicContact CG1-CG 4.29Å; V368-L372 WeakPolarHBondContact O-CB 3.36Å; V368-L372 VanDerWaalsContact O-CG 3.27Å; V368-L372 WeakPolarHBondContact O-CG 3.14Å; V368-L372 PolarHBondContact O-N 2.82Å; L372-C374 VanDerWaalsContact C-N 3.34Å; L372-C374 PolarHBondContact O-N 3.43Å; L372-Y375 PolarHBondContact O-N 3.16Å; L372-D376 PolarHBondContact O-N 2.9Å
373A97.2Very high94.7Very high10 Ų1024.5 Ų24.58%0.08313%0.129CC..Hα-helixtrans-62.6-41177.400000112A292 R295 N369 R370 Y375 D376 D377A292-A373 HydrophobicContact CB-CB 3.48Å; A292-A373 VanDerWaalsContact CB-CB 3.48Å; R295-A373 VanDerWaalsContact NH2-C 3.31Å; N369-A373 VanDerWaalsContact O-CB 3.26Å; N369-A373 WeakPolarHBondContact O-CB 3.25Å; N369-A373 PolarHBondContact O-N 3.17Å; R370-A373 PolarHBondContact O-N 3.43Å; A373-Y375 VanDerWaalsContact C-N 3.35Å; A373-D376 PolarHBondContact O-N 3Å; A373-D377 VanDerWaalsContact O-CB 3.26Å; A373-D377 WeakPolarHBondContact O-CB 3.43Å; A373-D377 PolarHBondContact O-N 3.4Å; A373-D377 VanDerWaalsContact O-OD2 3.09Å
374C96.3Very high94Very high0 Ų026.4 Ų26.40%015%0.146CC..Hα-helixtrans-58.1-48.2174.4-91.80000111.6T287 R295 A338 L341 R370 A371 L372 A378T287-C374 PolarHBondContact O-SG 3.1Å; R295-C374 VanDerWaalsContact CZ-SG 3.53Å; R295-C374 PolarHBondContact NH1-SG 3.34Å; A338-C374 HydrophobicContact CB-CB 3.93Å; L341-C374 HydrophobicContact CD2-CB 4.46Å; R370-C374 VanDerWaalsContact O-CB 3.31Å; R370-C374 WeakPolarHBondContact O-CB 3.49Å; R370-C374 PolarHBondContact O-N 2.77Å; A371-C374 WeakPolarHBondContact O-CB 3.4Å; A371-C374 PolarHBondContact O-N 3.09Å; L372-C374 VanDerWaalsContact C-N 3.34Å; L372-C374 PolarHBondContact O-N 3.43Å; C374-A378 WeakPolarHBondContact O-CB 3.43Å; C374-A378 PolarHBondContact O-N 3.41Å
375Y94.8Very high92.9Very high0 Ų026.5 Ų26.50%014%0.143CC..Hα-helixtrans-62-49179.1173.5-97.4000111.6L209 M220 H222 D224 F225 A228 A371 L372 A373 D377 A378 M379L209-Y375 HydrophobicContact CD2-CD2 4.13Å; M220-Y375 HydrophobicContact CE-CD1 3.75Å; M220-Y375 HydrophobicContact CE-CE1 3.43Å; M220-Y375 VanDerWaalsContact CE-CE1 3.43Å; H222-Y375 HydrophobicContact CB-CE1 3.71Å; H222-Y375 VanDerWaalsContact O-CE1 3.26Å; H222-Y375 WeakPolarHBondContact O-CE1 3.28Å; D224-Y375 PolarHBondContact O-OH 3.07Å; F225-Y375 HydrophobicContact CD1-CD2 4.4Å; F225-Y375 HydrophobicContact CD1-CE1 4.37Å; F225-Y375 AromaticContact CD1-CE2 3.38Å; F225-Y375 HydrophobicContact CD1-CE2 3.38Å; F225-Y375 AromaticContact CD1-CZ 3.35Å; F225-Y375 WeakPolarHBondContact CD1-OH 3.37Å; F225-Y375 HydrophobicContact CE1-CD2 4.24Å; F225-Y375 AromaticContact CE1-CE1 3.91Å; F225-Y375 HydrophobicContact CE1-CE1 3.91Å; F225-Y375 AromaticContact CE1-CE2 3.52Å; F225-Y375 HydrophobicContact CE1-CE2 3.52Å; F225-Y375 AromaticContact CE1-CZ 3.31Å; F225-Y375 WeakPolarHBondContact CE1-OH 3.47Å; A228-Y375 HydrophobicContact CB-CE2 4.47Å; A371-Y375 WeakPolarHBondContact O-CB 3.2Å; A371-Y375 PolarHBondContact O-N 3.46Å; L372-Y375 PolarHBondContact O-N 3.16Å; A373-Y375 VanDerWaalsContact C-N 3.35Å; Y375-D377 PolarHBondContact O-N 3.41Å; Y375-A378 PolarHBondContact O-N 2.86Å; Y375-M379 HydrophobicContact CD1-CG 4.38Å; Y375-M379 HydrophobicContact CD2-CG 4.18Å; Y375-M379 HydrophobicContact CE1-CG 3.86Å; Y375-M379 HydrophobicContact CE2-CG 3.59Å; Y375-M379 HydrophobicContact CE2-SD 3.93Å; Y375-M379 VanDerWaalsContact CZ-CG 3.41Å; Y375-M379 WeakPolarHBondContact O-CB 3.47Å; Y375-M379 VanDerWaalsContact O-CG 3.31Å; Y375-M379 WeakPolarHBondContact O-CG 3.22Å; Y375-M379 PolarHBondContact O-N 3.36Å
376D94.8Very high91.2Very high10 Ų1028.2 Ų28.25%0.05315%0.149CC..Hα-helixtrans-64.9-40.3-179-72.9-33.9000112.6I221 H222 L372 A373 T380I221-D376 HydrophobicContact CB-CB 4.42Å; I221-D376 WeakPolarHBondContact CB-OD1 3.5Å; I221-D376 HydrophobicContact CD1-CB 4.3Å; I221-D376 PolarHBondContact N-OD1 2.82Å; I221-D376 PolarHBondContact N-OD2 2.78Å; H222-D376 IonicContact CD2-OD1 2.74Å; H222-D376 PolarHBondContact N-OD1 2.85Å; H222-D376 VanDerWaalsContact N-OD1 3.13Å; L372-D376 PolarHBondContact O-N 2.9Å; A373-D376 PolarHBondContact O-N 3Å; D376-T380 WeakPolarHBondContact O-CB 3.18Å; D376-T380 PolarHBondContact O-N 2.69Å; D376-T380 PolarHBondContact O-OG1 2.86Å
377D94.8Very high89Confident33 Ų3329.9 Ų29.918%0.17616%0.161CC..Hα-helixtrans-64.1-42.8176-65.7-19.2000110.5R295 R296 W334 A373 Y375 T380 I381R295-D377 IonicContact CZ-OD2 3.42Å; R295-D377 IonicContact NE-OD2 3.8Å; R295-D377 PolarHBondContact NE-OD2 2.85Å; R295-D377 IonicContact NH2-OD2 2.73Å; R295-D377 PolarHBondContact NH2-OD2 2.92Å; R296-D377 IonicContact CZ-OD1 3.61Å; R296-D377 VanDerWaalsContact CZ-OD1 3.26Å; R296-D377 IonicContact CZ-OD2 3.82Å; R296-D377 IonicContact NE-OD1 3.76Å; R296-D377 PolarHBondContact NE-OD1 3.23Å; R296-D377 IonicContact NE-OD2 3.5Å; R296-D377 PolarHBondContact NE-OD2 3.08Å; R296-D377 VanDerWaalsContact NE-OD2 3.13Å; R296-D377 IonicContact NH2-OD1 2.95Å; R296-D377 PolarHBondContact NH2-OD1 2.81Å; R296-D377 IonicContact NH2-OD2 2.81Å; W334-D377 HydrophobicContact CH2-CB 3.69Å; W334-D377 HydrophobicContact CZ2-CB 3.6Å; A373-D377 VanDerWaalsContact O-CB 3.26Å; A373-D377 WeakPolarHBondContact O-CB 3.43Å; A373-D377 PolarHBondContact O-N 3.4Å; A373-D377 VanDerWaalsContact O-OD2 3.09Å; Y375-D377 PolarHBondContact O-N 3.41Å; D377-T380 PolarHBondContact O-N 3.14Å; D377-I381 PolarHBondContact O-N 3.03Å
378A93Very high86.9Confident0 Ų035.4 Ų35.40%019%0.19CC..Hα-helixtrans-64.4-45.1178.600000112.1W334 P335 A338 I339 C374 Y375 T380 I381 I382W334-A378 HydrophobicContact CZ2-CB 4.25Å; P335-A378 HydrophobicContact CB-CB 3.88Å; A338-A378 HydrophobicContact CB-CB 3.88Å; I339-A378 HydrophobicContact CD1-CB 4.4Å; I339-A378 HydrophobicContact CG1-CB 4.17Å; C374-A378 WeakPolarHBondContact O-CB 3.43Å; C374-A378 PolarHBondContact O-N 3.41Å; Y375-A378 PolarHBondContact O-N 2.86Å; A378-T380 PolarHBondContact O-N 2.94Å; A378-I381 PolarHBondContact O-N 3.46Å; A378-I382 VanDerWaalsContact O-CG1 3.29Å; A378-I382 WeakPolarHBondContact O-CG1 3.33Å; A378-I382 PolarHBondContact O-N 3.35Å
379M91.6Very high84.4Confident1 Ų142 Ų421%0.00522%0.221CC..Hα-helixtrans-62.7-41.8177.5-72.9-59.3-61.800112H222 D224 P227 A228 Y375 I381 I382 E383H222-M379 HydrophobicContact CB-CB 3.75Å; H222-M379 HydrophobicContact CB-CE 4.37Å; H222-M379 HydrophobicContact CB-CG 3.79Å; H222-M379 VanDerWaalsContact CD2-CB 3.45Å; H222-M379 WeakPolarHBondContact CD2-CB 3.42Å; D224-M379 VanDerWaalsContact O-CE 3.29Å; D224-M379 WeakPolarHBondContact O-CE 3.21Å; P227-M379 HydrophobicContact CB-CE 3.94Å; P227-M379 HydrophobicContact CG-CE 3.82Å; A228-M379 HydrophobicContact CB-SD 3.91Å; Y375-M379 HydrophobicContact CD1-CG 4.38Å; Y375-M379 HydrophobicContact CD2-CG 4.18Å; Y375-M379 HydrophobicContact CE1-CG 3.86Å; Y375-M379 HydrophobicContact CE2-CG 3.59Å; Y375-M379 HydrophobicContact CE2-SD 3.93Å; Y375-M379 VanDerWaalsContact CZ-CG 3.41Å; Y375-M379 WeakPolarHBondContact O-CB 3.47Å; Y375-M379 VanDerWaalsContact O-CG 3.31Å; Y375-M379 WeakPolarHBondContact O-CG 3.22Å; Y375-M379 PolarHBondContact O-N 3.36Å; M379-I381 VanDerWaalsContact C-N 3.27Å; M379-I381 PolarHBondContact O-N 2.84Å; M379-I382 PolarHBondContact O-N 2.84Å; M379-I382 HydrophobicContact SD-CD1 4.49Å; M379-E383 WeakPolarHBondContact O-CB 3.35Å; M379-E383 WeakPolarHBondContact O-CG 3.35Å; M379-E383 PolarHBondContact O-N 2.88Å
380T91.3Very high81.2Confident79 Ų7942 Ų4249%0.48522%0.224SC..Hα-helixtrans-56.4-42.6175.5-58.30000111.7H222 D376 D377 A378 S384H222-T380 PolarHBondContact NE2-OG1 2.94Å; D376-T380 WeakPolarHBondContact O-CB 3.18Å; D376-T380 PolarHBondContact O-N 2.69Å; D376-T380 PolarHBondContact O-OG1 2.86Å; D377-T380 PolarHBondContact O-N 3.14Å; A378-T380 PolarHBondContact O-N 2.94Å; T380-S384 WeakPolarHBondContact O-CB 3.38Å; T380-S384 PolarHBondContact O-N 3.38Å; T380-S384 VanDerWaalsContact O-N 3.08Å; T380-S384 PolarHBondContact O-OG 3.33Å
381I88.7Confident77.8Confident34 Ų3444.5 Ų44.517%0.17424%0.242CC..Hα-helixtrans-67.4-47.8176.5-71.6163.5000111.1W334 P335 D377 A378 M379 E383 S384 R385W334-I381 HydrophobicContact CZ2-CD1 4.26Å; P335-I381 HydrophobicContact CG-CG2 4.1Å; D377-I381 PolarHBondContact O-N 3.03Å; A378-I381 PolarHBondContact O-N 3.46Å; M379-I381 VanDerWaalsContact C-N 3.27Å; M379-I381 PolarHBondContact O-N 2.84Å; I381-E383 VanDerWaalsContact C-N 3.33Å; I381-E383 PolarHBondContact O-N 2.99Å; I381-S384 PolarHBondContact O-N 2.98Å; I381-S384 PolarHBondContact O-OG 3.32Å; I381-R385 WeakPolarHBondContact O-CG 3.47Å; I381-R385 PolarHBondContact O-N 3.43Å
382I86.1Confident74.7Confident6 Ų647.8 Ų47.83%0.03126%0.264CS..Hα-helixtrans-60-42.1-179.9-68.5166.2000111.5P227 F232 P335 I339 A378 M379 R385 K386P227-I382 HydrophobicContact CB-CG2 3.75Å; F232-I382 HydrophobicContact CE2-CG1 4.32Å; P335-I382 HydrophobicContact CB-CD1 4.16Å; P335-I382 HydrophobicContact CB-CG1 4.28Å; I339-I382 HydrophobicContact CD1-CD1 3.79Å; A378-I382 VanDerWaalsContact O-CG1 3.29Å; A378-I382 WeakPolarHBondContact O-CG1 3.33Å; A378-I382 PolarHBondContact O-N 3.35Å; M379-I382 PolarHBondContact O-N 2.84Å; M379-I382 HydrophobicContact SD-CD1 4.49Å; I382-R385 PolarHBondContact O-N 2.9Å; I382-K386 PolarHBondContact O-N 3Å
383E84.8Confident71.5Confident81 Ų8153.7 Ų53.738%0.37929%0.289SS..Hα-helixtrans-71.2-41.8179.9-71.4-173.6163.100112.6H222 M379 I381 R385 K386 V387H222-E383 IonicContact CE1-OE1 3.69Å; H222-E383 IonicContact CE1-OE2 3.79Å; H222-E383 PolarHBondContact CE1-OE2 3.23Å; H222-E383 IonicContact ND1-OE1 2.63Å; H222-E383 IonicContact ND1-OE2 3.15Å; M379-E383 WeakPolarHBondContact O-CB 3.35Å; M379-E383 WeakPolarHBondContact O-CG 3.35Å; M379-E383 PolarHBondContact O-N 2.88Å; I381-E383 VanDerWaalsContact C-N 3.33Å; I381-E383 PolarHBondContact O-N 2.99Å; E383-R385 PolarHBondContact O-N 3.14Å; E383-R385 VanDerWaalsContact O-N 3.14Å; E383-K386 PolarHBondContact O-N 2.59Å; E383-V387 PolarHBondContact O-N 3Å
384S82.7Confident68.5Low62 Ų6262.3 Ų62.343%0.43432%0.321SS..Hα-helixtrans-56.7-31.517674.30000112.4T380 I381 L388T380-S384 WeakPolarHBondContact O-CB 3.38Å; T380-S384 PolarHBondContact O-N 3.38Å; T380-S384 VanDerWaalsContact O-N 3.08Å; T380-S384 PolarHBondContact O-OG 3.33Å; I381-S384 PolarHBondContact O-N 2.98Å; I381-S384 PolarHBondContact O-OG 3.32Å; S384-L388 PolarHBondContact O-N 3.16Å
385R73.5Confident66Low34 Ų3468.3 Ų68.313%0.12835%0.352CS..Hα-helixtrans-72.4-39.9175.2-71.3179.917715112113.8N331 E332 I381 I382 E383 V387 L388 Q389N331-R385 PolarHBondContact O-NH2 2.97Å; E332-R385 VanDerWaalsContact CA-NH2 3.33Å; E332-R385 IonicContact OE1-CZ 3.7Å; E332-R385 IonicContact OE1-NE 3.09Å; E332-R385 PolarHBondContact OE1-NE 3.24Å; E332-R385 IonicContact OE1-NH1 3.36Å; E332-R385 IonicContact OE1-NH2 3.67Å; E332-R385 PolarHBondContact OE1-NH2 3.39Å; E332-R385 IonicContact OE2-CZ 2.78Å; E332-R385 IonicContact OE2-NE 3.66Å; E332-R385 IonicContact OE2-NH1 2.69Å; E332-R385 PolarHBondContact OE2-NH1 3.38Å; E332-R385 IonicContact OE2-NH2 3.48Å; E332-R385 PolarHBondContact OE2-NH2 3.01Å; I381-R385 WeakPolarHBondContact O-CG 3.47Å; I381-R385 PolarHBondContact O-N 3.43Å; I382-R385 PolarHBondContact O-N 2.9Å; E383-R385 PolarHBondContact O-N 3.14Å; E383-R385 VanDerWaalsContact O-N 3.14Å; R385-V387 PolarHBondContact O-N 3.16Å; R385-L388 PolarHBondContact O-N 2.9Å; R385-L388 VanDerWaalsContact O-N 3.16Å; R385-Q389 PolarHBondContact O-N 2.75Å
386K62.8Low63.2Low99 Ų9974.2 Ų74.243%0.4338%0.378SS..Hα-helixtrans-58.5-40.9175.5-73.1-175.7177.1-179.10110.2I382 E383 Q389 V390I382-K386 PolarHBondContact O-N 3Å; E383-K386 PolarHBondContact O-N 2.59Å; K386-Q389 PolarHBondContact O-N 3.5Å; K386-V390 WeakPolarHBondContact O-CB 3.49Å; K386-V390 WeakPolarHBondContact O-CG2 3.18Å; K386-V390 PolarHBondContact O-N 2.98Å
387V52.1Low60.5Low92 Ų9278.7 Ų78.756%0.55841%0.408SS*.Hα-helixtrans-61.7-45.9175.9-179.70000111.1E383 R385 V390 C391E383-V387 PolarHBondContact O-N 3Å; R385-V387 PolarHBondContact O-N 3.16Å; V387-V390 PolarHBondContact O-N 2.65Å; V387-C391 WeakPolarHBondContact O-CB 3.15Å; V387-C391 PolarHBondContact O-N 3.14Å; V387-C391 PolarHBondContact O-SG 3.37Å
388L51.9Low58.1Low116 Ų11684.8 Ų84.861%0.60743%0.433SS*.Hα-helixtrans-63.1-43.7177.2-73.1169.9000113S384 R385 V390 C391 C392S384-L388 PolarHBondContact O-N 3.16Å; R385-L388 PolarHBondContact O-N 2.9Å; R385-L388 VanDerWaalsContact O-N 3.16Å; L388-V390 PolarHBondContact O-N 2.87Å; L388-C391 PolarHBondContact O-N 3.1Å; L388-C392 WeakPolarHBondContact O-CB 3.1Å; L388-C392 PolarHBondContact O-N 2.84Å; L388-C392 PolarHBondContact O-SG 2.9Å
389Q47.1Very low55.7Low137 Ų13793.8 Ų93.864%0.6447%0.472SS*.Hα-helixtrans-62.4-42.5176.5-76.4-177.8-17.500111.9R385 K386 C392 F393R385-Q389 PolarHBondContact O-N 2.75Å; K386-Q389 PolarHBondContact O-N 3.5Å; Q389-C392 PolarHBondContact O-N 2.89Å; Q389-F393 PolarHBondContact O-N 3.48Å
390V29.7Very low53.1Low75 Ų7595.7 Ų95.746%0.45549%0.488SS..Hα-helixtrans-64-45.9176.3171.50000110.8K386 V387 L388 C392 F393 Y394K386-V390 WeakPolarHBondContact O-CB 3.49Å; K386-V390 WeakPolarHBondContact O-CG2 3.18Å; K386-V390 PolarHBondContact O-N 2.98Å; V387-V390 PolarHBondContact O-N 2.65Å; L388-V390 PolarHBondContact O-N 2.87Å; V390-C392 PolarHBondContact O-N 2.92Å; V390-F393 WeakPolarHBondContact O-CB 3.34Å; V390-F393 PolarHBondContact O-N 3.46Å; V390-F393 VanDerWaalsContact O-N 3.09Å; V390-Y394 HydrophobicContact CG1-CD2 3.6Å; V390-Y394 HydrophobicContact CG1-CE2 3.4Å; V390-Y394 VanDerWaalsContact CG1-CE2 3.4Å; V390-Y394 WeakPolarHBondContact O-CD2 3.47Å; V390-Y394 PolarHBondContact O-N 3.44Å
391C25.6Very low50.5Low60 Ų6097.9 Ų97.941%0.40549%0.491SS..Hα-helixtrans-59.9-43.4175.3-72.80000112.4V387 L388 F393 Y394 L395V387-C391 WeakPolarHBondContact O-CB 3.15Å; V387-C391 PolarHBondContact O-N 3.14Å; V387-C391 PolarHBondContact O-SG 3.37Å; L388-C391 PolarHBondContact O-N 3.1Å; C391-F393 VanDerWaalsContact C-N 3.29Å; C391-F393 PolarHBondContact O-N 3.24Å; C391-Y394 PolarHBondContact O-N 3.05Å; C391-L395 WeakPolarHBondContact O-CB 3.44Å; C391-L395 VanDerWaalsContact O-CG 3.27Å; C391-L395 WeakPolarHBondContact O-CG 3.44Å; C391-L395 PolarHBondContact O-N 3.13Å
392C32.3Very low47.8Very low68 Ų68103.9 Ų103.946%0.45952%0.518SS..Hα-helixtrans-61.4-37.1173.5-760000112.2L388 Q389 V390 L395 F396L388-C392 WeakPolarHBondContact O-CB 3.1Å; L388-C392 PolarHBondContact O-N 2.84Å; L388-C392 PolarHBondContact O-SG 2.9Å; Q389-C392 PolarHBondContact O-N 2.89Å; V390-C392 PolarHBondContact O-N 2.92Å; C392-L395 PolarHBondContact O-N 3.05Å; C392-F396 WeakPolarHBondContact O-CB 3.3Å; C392-F396 PolarHBondContact O-N 3.1Å
393F30.6Very low45.2Very low130 Ų130109 Ų10957%0.5755%0.545SS*.Hα-helixtrans-65.9-38.4176.5-138.8-88.2000112.4Q389 V390 C391 K398Q389-F393 PolarHBondContact O-N 3.48Å; V390-F393 WeakPolarHBondContact O-CB 3.34Å; V390-F393 PolarHBondContact O-N 3.46Å; V390-F393 VanDerWaalsContact O-N 3.09Å; C391-F393 VanDerWaalsContact C-N 3.29Å; C391-F393 PolarHBondContact O-N 3.24Å; F393-K398 HydrophobicContact CE1-CG 4.39Å; F393-K398 HydrophobicContact CZ-CG 4.37Å
394Y34.8Very low42.5Very low192 Ų192111.5 Ų111.575%0.75356%0.56SS**Hα-helixtrans-75.4-34.8176.2-79.3-69.5000113.1V390 C391V390-Y394 HydrophobicContact CG1-CD2 3.6Å; V390-Y394 HydrophobicContact CG1-CE2 3.4Å; V390-Y394 VanDerWaalsContact CG1-CE2 3.4Å; V390-Y394 WeakPolarHBondContact O-CD2 3.47Å; V390-Y394 PolarHBondContact O-N 3.44Å; C391-Y394 PolarHBondContact O-N 3.05Å
395L43Very low40.1Very low125 Ų125114.3 Ų114.365%0.65457%0.569SS**Hα-helixtrans-77.5-24.5178.1-70169.4000112.7C391 C392C391-L395 WeakPolarHBondContact O-CB 3.44Å; C391-L395 VanDerWaalsContact O-CG 3.27Å; C391-L395 WeakPolarHBondContact O-CG 3.44Å; C391-L395 PolarHBondContact O-N 3.13Å; C392-L395 PolarHBondContact O-N 3.05Å
396F37.1Very low37.9Very low125 Ų125120.6 Ų120.655%0.54859%0.594SS.*SBendtrans-134.784.1-177.5-63.4-80.5000112C392 K398 A400C392-F396 WeakPolarHBondContact O-CB 3.3Å; C392-F396 PolarHBondContact O-N 3.1Å; F396-K398 PolarHBondContact O-N 2.85Å; F396-K398 VanDerWaalsContact O-N 3.1Å; F396-A400 HydrophobicContact CB-CB 4.34Å; F396-A400 HydrophobicContact CD1-CB 4.31Å
397P37.3Very low36.3Very low104 Ų104120.8 Ų120.868%0.67560%0.6SS**  trans-66.5113.3179.82.24.1000111.5K399P397-K399 VanDerWaalsContact C-N 3.26Å; P397-K399 PolarHBondContact O-N 3.22Å
398K44.8Very low35.3Very low160 Ų160127.1 Ų127.170%0.69662%0.615SS**SBendtrans36.9-24.5162.4-76-173176-179.50122.5F393 F396F393-K398 HydrophobicContact CE1-CG 4.39Å; F393-K398 HydrophobicContact CZ-CG 4.37Å; F396-K398 PolarHBondContact O-N 2.85Å; F396-K398 VanDerWaalsContact O-N 3.1Å
399K41.2Very low34.5Very low189 Ų189125.3 Ų125.382%0.82261%0.613SS**SBendtrans-86.7-20.4175.7-79.7-174.3176.1179.20113.8P397P397-K399 VanDerWaalsContact C-N 3.26Å; P397-K399 PolarHBondContact O-N 3.22Å
400A38.6Very low33.6Very low42 Ų42124.8 Ų124.835%0.34761%0.614SS.*SBendtrans-88.9-25.9179.900000114F396 Q402 L403F396-A400 HydrophobicContact CB-CB 4.34Å; F396-A400 HydrophobicContact CD1-CB 4.31Å; A400-Q402 PolarHBondContact O-N 2.84Å; A400-L403 PolarHBondContact O-N 3.26Å
401F35.9Very low33.5Very low124 Ų124130.1 Ų130.154%0.54463%0.631SS.*THydrogen-bonded Turntrans-74.8-25.1-174.6-153.9-101.9000113.6L403 L404 I405F401-L403 PolarHBondContact O-N 3.07Å; F401-L404 PolarHBondContact O-N 3.14Å; F401-I405 HydrophobicContact CD1-CD1 4.2Å; F401-I405 HydrophobicContact CE1-CD1 3.56Å; F401-I405 HydrophobicContact CE1-CG1 4.28Å; F401-I405 HydrophobicContact CZ-CD1 4.26Å
402Q32.4Very low33.7Very low161 Ų161139.7 Ų139.775%0.75266%0.659SS**Hα-helixtrans-65.8-17.4172.2-85.7-179.5-26.100113.2A400 Y406A400-Q402 PolarHBondContact O-N 2.84Å; Q402-Y406 WeakPolarHBondContact O-CB 3.43Å
403L31.1Very low33.4Very low113 Ų113139.6 Ų139.659%0.59267%0.67SS**Hα-helixtrans-89.3-16.9-179.8-94.3147.9000114.4A400 F401 N407A400-L403 PolarHBondContact O-N 3.26Å; F401-L403 PolarHBondContact O-N 3.07Å; L403-N407 PolarHBondContact O-ND2 2.77Å
404L28.9Very low33.3Very low133 Ų133142 Ų14270%0.69668%0.682SS**Hα-helixtrans-93.2-31.7-176.5-105.3145.3000113.4F401F401-L404 PolarHBondContact O-N 3.14Å
405I30.9Very low32.9Very low121 Ų121141.8 Ų141.862%0.62169%0.69SS**Hα-helixtrans-82.3-27.4174.2-63.3-179.1000111.5F401F401-I405 HydrophobicContact CD1-CD1 4.2Å; F401-I405 HydrophobicContact CE1-CD1 3.56Å; F401-I405 HydrophobicContact CE1-CG1 4.28Å; F401-I405 HydrophobicContact CZ-CD1 4.26Å
406Y27.6Very low32.2Very low167 Ų167143.6 Ų143.666%0.65570%0.7SS**THydrogen-bonded Turntrans-81.8-12.9-176.7-134.6-94.4000114.6Q402Q402-Y406 WeakPolarHBondContact O-CB 3.43Å
407N29.7Very low31.7Very low102 Ų102142.5 Ų142.555%0.54571%0.708SS.*THydrogen-bonded Turntrans-94.72.6-174.7-92.2-45.1000115.7L403L403-N407 PolarHBondContact O-ND2 2.77Å
408Y31.6Very low31.4Very low225 Ų225144.5 Ų144.588%0.88272%0.717SS**SBendtrans-104-5.9173-96.5-84.3000114.9
409S35.2Very low30.5Very low79 Ų79146.5 Ų146.555%0.55273%0.726SS**SBendtrans-112.2-1-176.364.10000116.5
410N27.1Very low29.9Very low125 Ų125140.5 Ų140.567%0.66872%0.718SS**  trans-149.679.9176.4-81.2-44.9000112.8
411K28.8Very low29.6Very low187 Ų187147 Ų14781%0.81375%0.746SS**  trans-110.663.5161.7-96.1-168.8177.5179.10110.2
412W28.4Very low29.2Very low262 Ų262149.2 Ų149.299%0.99276%0.763SS**SBendtrans-164.295.3152.6-80.8106.3000107.5
413G26.8Very low29.1Very low66 Ų66151 Ų15168%0.6877%0.768SS**SBendtrans149.594.8171.700000115.3
414H29.2Very low29.2Very low181 Ų181150.7 Ų150.784%0.83878%0.776SS**  trans67.988.2153.6-65.8-75.7000120L416H414-L416 PolarHBondContact O-N 2.92Å
415M24.7Very low29.1Very low187 Ų187153.3 Ų153.392%0.92178%0.781SS**  3.1103.5116.3-143.4174.49800115.3
416L28.2Very low29.4Very low163 Ų163154.1 Ų154.185%0.85379%0.787SS**  trans-156.8139.9152.3-101.9162.6000109.5H414H414-L416 PolarHBondContact O-N 2.92Å
417S27.3Very low29.9Very low102 Ų102160.3 Ų160.371%0.71381%0.811SS**  trans-70.6128.6-157.5500000115K419S417-K419 PolarHBondContact O-N 3.42Å
418V30.2Very low29.9Very low145 Ų145163.3 Ų163.388%0.87982%0.824SS**  trans-90.384.1163.7-176.60000108.4
419K26.1Very low29.8Very low202 Ų202160 Ų16088%0.87882%0.821SS**  trans-99.1116157.9-106.1-174.8177.6179.90107.5S417S417-K419 PolarHBondContact O-N 3.42Å
420G29Very low29.5Very low64 Ų64164.5 Ų164.566%0.6684%0.836SS**  trans109.292158.600000114.7
421L32.7Very low29.7Very low179 Ų179166.8 Ų166.894%0.93785%0.846SS**  trans-152.357.2145.7-102.6157.5000108.3
422L27.9Very low29.7Very low169 Ų169165.6 Ų165.689%0.88585%0.848SS**  trans-100.5107.5153.8-82166.6000106
423K30.6Very low29.8Very low198 Ų198159.1 Ų159.186%0.86184%0.839SS**  trans178.8138.3142.1-100.5168.6-175.8-172.40112.9
424S33Very low30Very low108 Ų108165.8 Ų165.876%0.75585%0.85SS**  trans63.8113.5162.856.50000118.2
425K26.7Very low30.1Very low188 Ų188164.6 Ų164.682%0.81785%0.851SS**  59.3106.371-79.2-165.7173.1-172.70112
426D36.1Very low30.5Very low137 Ų137162.8 Ų162.873%0.73385%0.845SS**  175.2134.799.6-86.9-30.2000110
427Y38.6Very low30.7Very low298 Ų298162.7 Ų162.7100%1.16984%0.844SS**  trans47.30167.2-72.2-86.7000120.7

Retrieved 427 of 427 residues in 359.8 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).