A0A087YDQ0_POEFO Loading...

TatD DNase domain containing 3

Exhibits 3'-exonuclease activities and apurinic/apyrimidinic (AP) endonuclease (in vitro). Show preferential AP endonuclease activity on double-stranded DNA substrates and 3'- exonuclease activity on single-stranded DNA.

AlphaFold DB , UniProt , Accession A0A087YDQ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 269 aa.

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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
1M65.3Low93.9Very high102 Ų10223.2 Ų23.250%0.50211%0.11SC..  0113.90-176.4-179.2-81.600105.2L33 T253 L257 I267M1-L33 HydrophobicContact CG-CD1 3.52Å; M1-L33 HydrophobicContact SD-CD1 3.73Å; M1-T253 HydrophobicContact CG-CG2 4.45Å; M1-T253 HydrophobicContact SD-CG2 4.08Å; M1-L257 HydrophobicContact SD-CD1 4.25Å; M1-I267 HydrophobicContact CE-CB 4.33Å; M1-I267 HydrophobicContact CE-CG2 3.8Å; M1-I267 WeakPolarHBondContact CE-O 3.44Å; M1-I267 HydrophobicContact SD-CG2 3.88Å
2H84Confident94.2Very high118 Ų11821.6 Ų21.655%0.54610%0.103SC..  trans-103.7106-169.8-163.791.1000108.4E246H2-E246 IonicContact CE1-OE1 3.89Å; H2-E246 IonicContact ND1-OE1 3.33Å
3G94.6Very high94.4Very high1 Ų121.5 Ų21.51%0.0111%0.108CC..SBendtrans167.1-173.9179.900000111.7G31 M249 T253G3-G31 CarbonylContact C-O 3.16Å; G3-G31 WeakPolarHBondContact CA-O 3.45Å; G3-M249 VanDerWaalsContact CA-CE 3.45Å; G3-M249 VanDerWaalsContact N-CE 3.26Å; G3-T253 PolarHBondContact O-OG1 2.9Å
4Y97.9Very high94.5Very high19 Ų1933.1 Ų33.18%0.07515%0.15CC..EExtended strand (participates in β ladder)trans-112.9147.5-179.1-51.8-75.9000111.3A30 G31 L32 L33 L210 I230 A234 M249Y4-A30 WeakPolarHBondContact CE2-O 3.36Å; Y4-G31 PolarHBondContact N-O 3.02Å; Y4-L32 WeakPolarHBondContact O-CA 3.29Å; Y4-L33 PolarHBondContact O-N 3.18Å; Y4-L210 HydrophobicContact CD1-CD1 3.66Å; Y4-L210 HydrophobicContact CE1-CD1 4.4Å; Y4-I230 HydrophobicContact CD1-CG2 4.21Å; Y4-I230 HydrophobicContact CD2-CG2 3.72Å; Y4-I230 HydrophobicContact CE2-CG2 4.43Å; Y4-I230 HydrophobicContact CG-CG1 4.49Å; Y4-I230 HydrophobicContact CG-CG2 3.6Å; Y4-A234 HydrophobicContact CD1-CB 4.27Å; Y4-A234 HydrophobicContact CE1-CB 3.62Å; Y4-M249 HydrophobicContact CD1-CG 3.86Å; Y4-M249 HydrophobicContact CE1-CE 4.29Å; Y4-M249 HydrophobicContact CE1-CG 3.3Å; Y4-M249 HydrophobicContact CE1-SD 3.82Å; Y4-M249 HydrophobicContact CE2-CE 4.31Å; Y4-M249 HydrophobicContact CE2-SD 4.49Å
5I98.6Very high94.8Very high3 Ų336.9 Ų36.92%0.01517%0.172CC..EExtended strand (participates in β ladder)trans-116.5118.1165.1-64.3169.9000106.8C7 A34 L36 T253 A256 L257 L263 I267I5-C7 PolarHBondContact O-N 2.77Å; I5-A34 HydrophobicContact CG1-CB 4.43Å; I5-A34 HydrophobicContact CG2-CB 4.37Å; I5-L36 HydrophobicContact CG2-CD1 4.01Å; I5-T253 HydrophobicContact CD1-CG2 3.72Å; I5-T253 HydrophobicContact CG1-CG2 4.3Å; I5-A256 HydrophobicContact CB-CB 4.1Å; I5-A256 HydrophobicContact CD1-CB 3.85Å; I5-A256 HydrophobicContact CG2-CB 3.99Å; I5-L257 HydrophobicContact CD1-CD2 4.17Å; I5-L257 HydrophobicContact CD1-CG 4.18Å; I5-L263 HydrophobicContact CD1-CD2 3.76Å; I5-L263 HydrophobicContact CG1-CD2 4.5Å; I5-L263 HydrophobicContact CG2-CD2 3.9Å; I5-I267 HydrophobicContact CD1-CD1 4.45Å
6D98.8Very high95Very high0 Ų034.7 Ų34.70%016%0.162CC..EExtended strand (participates in β ladder)trans-82.3105.4169.4-174.3-10.4000108.2H8 L32 A34 L35 L36 E211 T212 I230D6-H8 VanDerWaalsContact C-N 3.28Å; D6-H8 PolarHBondContact O-N 3.22Å; D6-H8 PolarHBondContact OD1-N 3.3Å; D6-H8 VanDerWaalsContact OD1-O 3.04Å; D6-L32 HydrophobicContact CB-CD2 3.95Å; D6-A34 PolarHBondContact N-O 3.1Å; D6-L35 HydrophobicContact CB-CD2 3.55Å; D6-L36 PolarHBondContact O-N 3.18Å; D6-E211 WeakPolarHBondContact OD1-CA 3.22Å; D6-T212 PolarHBondContact OD1-N 3.45Å; D6-T212 WeakPolarHBondContact OD2-CB 3.45Å; D6-T212 WeakPolarHBondContact OD2-CG2 3.28Å; D6-T212 PolarHBondContact OD2-N 3.28Å; D6-T212 PolarHBondContact OD2-OG1 3.44Å; D6-I230 HydrophobicContact CB-CD1 4.08Å
7C98.9Very high95.1Very high0 Ų038.1 Ų38.10%018%0.181CC..EExtended strand (participates in β ladder)trans-81.1-7.2-172.2-60.70000113.5I5 L36 N141 L164 C209 L210 F260I5-C7 PolarHBondContact O-N 2.77Å; C7-L36 WeakPolarHBondContact O-CB 3.38Å; C7-N141 PolarHBondContact O-ND2 3.44Å; C7-L164 HydrophobicContact CB-CD2 3.55Å; C7-C209 HydrophobicContact CB-CB 4.44Å; C7-L210 WeakPolarHBondContact CB-O 3.36Å; C7-L210 PolarHBondContact N-O 3.32Å; C7-L210 PolarHBondContact SG-O 3.28Å; C7-L210 VanDerWaalsContact SG-O 3.42Å; C7-F260 HydrophobicContact CB-CE2 4.2Å
8H98.9Very high95.2Very high0 Ų047.4 Ų47.40%022%0.221CC..EExtended strand (participates in β ladder)trans-158.9110.9-176.7-170.9106.4000110.9D6 H10 E103 N141 H166 E211 D213D6-H8 VanDerWaalsContact C-N 3.28Å; D6-H8 PolarHBondContact O-N 3.22Å; D6-H8 PolarHBondContact OD1-N 3.3Å; D6-H8 VanDerWaalsContact OD1-O 3.04Å; H8-H10 AromaticContact NE2-NE2 3.53Å; H8-E103 IonicContact CE1-OE1 3.99Å; H8-E103 IonicContact CE1-OE2 3.44Å; H8-E103 IonicContact NE2-OE2 2.54Å; H8-N141 PolarHBondContact ND1-OD1 3.35Å; H8-H166 HydrophobicContact CB-CB 4.41Å; H8-H166 AromaticContact CD2-ND1 3.91Å; H8-H166 AromaticContact CE1-CD2 3.29Å; H8-H166 PolarHBondContact CE1-CD2 3.11Å; H8-H166 AromaticContact CE1-CE1 3.79Å; H8-H166 AromaticContact CE1-CG 3.47Å; H8-H166 VanDerWaalsContact CE1-CG 3.47Å; H8-H166 AromaticContact CE1-ND1 3.85Å; H8-H166 AromaticContact CE1-NE2 3.5Å; H8-H166 AromaticContact ND1-CD2 3.82Å; H8-H166 AromaticContact ND1-CG 3.63Å; H8-H166 AromaticContact NE2-CD2 3.8Å; H8-H166 AromaticContact NE2-CE1 3.48Å; H8-H166 PolarHBondContact NE2-CE1 3Å; H8-H166 AromaticContact NE2-CG 3.81Å; H8-H166 AromaticContact NE2-ND1 3.69Å; H8-H166 AromaticContact NE2-NE2 3.59Å; H8-E211 HydrophobicContact CB-CB 3.83Å; H8-E211 WeakPolarHBondContact CB-OE2 3.48Å; H8-E211 IonicContact CG-OE2 3.59Å; H8-D213 IonicContact CD2-OD1 2.67Å; H8-D213 PolarHBondContact CD2-OD1 3.31Å; H8-D213 IonicContact NE2-OD1 2.64Å; H8-D213 PolarHBondContact NE2-OD1 3Å; H8-D213 WeakPolarHBondContact O-CA 3.38Å; H8-D213 PolarHBondContact O-N 2.94Å
9C98.6Very high95.4Very high0 Ų046.8 Ų46.80%022%0.219CC..EExtended strand (participates in β ladder)trans-153.5154.6170.668.80000112.3L36 A37 V38C9-L36 PolarHBondContact N-O 3.37Å; C9-L36 VanDerWaalsContact N-O 3.1Å; C9-L36 PolarHBondContact SG-O 3.42Å; C9-L36 VanDerWaalsContact SG-O 3.39Å; C9-A37 WeakPolarHBondContact O-CA 3.35Å; C9-V38 WeakPolarHBondContact O-CG2 3.12Å; C9-V38 PolarHBondContact O-N 3.31Å
10H98.7Very high95.5Very high10 Ų1045.1 Ų45.15%0.04621%0.212CC..  trans-101.460.7175.4-58.3-92.5000110.3H8 S12 A13 E40 E103 D213 S214H8-H10 AromaticContact NE2-NE2 3.53Å; H10-S12 PolarHBondContact O-N 3.22Å; H10-S12 VanDerWaalsContact O-N 3.12Å; H10-A13 HydrophobicContact CB-CB 4.26Å; H10-A13 WeakPolarHBondContact O-CB 3.27Å; H10-A13 PolarHBondContact O-N 2.91Å; H10-E40 IonicContact CE1-OE1 3Å; H10-E40 IonicContact ND1-OE1 3.91Å; H10-E103 IonicContact CE1-OE2 2.73Å; H10-E103 PolarHBondContact CE1-OE2 3.42Å; H10-E103 IonicContact NE2-OE2 3.98Å; H10-E103 PolarHBondContact NE2-OE2 2.88Å; H10-D213 IonicContact CD2-OD1 2.59Å; H10-D213 PolarHBondContact CD2-OD1 3.33Å; H10-D213 VanDerWaalsContact CD2-OD1 3.28Å; H10-D213 IonicContact NE2-OD1 3.68Å; H10-D213 PolarHBondContact NE2-OD1 2.91Å; H10-S214 CarbonylContact C-O 3.59Å; H10-S214 WeakPolarHBondContact CA-O 3.47Å; H10-S214 WeakPolarHBondContact CB-O 3.18Å; H10-S214 PolarHBondContact N-O 3.45Å
11I98.3Very high95.6Very high2 Ų246.7 Ų46.71%0.0122%0.219CC..THydrogen-bonded Turntrans-64.9-15.5179.7-162.959.4000112.9A13 F16 V20 V23 I24 A37 L51 I59 P227I11-A13 VanDerWaalsContact C-N 3.31Å; I11-F16 HydrophobicContact CD1-CB 4.5Å; I11-F16 HydrophobicContact CD1-CD1 4.46Å; I11-F16 HydrophobicContact CD1-CD2 3.89Å; I11-F16 HydrophobicContact CD1-CE2 4.19Å; I11-F16 HydrophobicContact CD1-CG 4.03Å; I11-V20 HydrophobicContact CD1-CG2 4.18Å; I11-V20 HydrophobicContact CG1-CG2 4.01Å; I11-V23 HydrophobicContact CD1-CG1 4.03Å; I11-I24 HydrophobicContact CD1-CD1 4.47Å; I11-I24 HydrophobicContact CG1-CD1 4.25Å; I11-A37 HydrophobicContact CG2-CB 3.6Å; I11-L51 HydrophobicContact CG2-CD1 4.2Å; I11-I59 HydrophobicContact CG2-CD1 4.48Å; I11-P227 HydrophobicContact CD1-CG 4.43Å
12S97.7Very high97.2Very high4 Ų447.4 Ų47.43%0.02822%0.222CC..THydrogen-bonded Turntrans-79.9-4.817049.80000114H10 E44 K47 I48H10-S12 PolarHBondContact O-N 3.22Å; H10-S12 VanDerWaalsContact O-N 3.12Å; S12-E44 WeakPolarHBondContact CB-OE2 3.25Å; S12-E44 PolarHBondContact OG-OE2 3.16Å; S12-K47 WeakPolarHBondContact O-CE 3.38Å; S12-K47 PolarHBondContact O-NZ 2.84Å; S12-I48 WeakPolarHBondContact OG-CG1 3.42Å
13A97.4Very high97.9Very high20 Ų2041.9 Ų41.917%0.16520%0.196CC..SBendtrans-59.7150.5176.900000111.8H10 I11 D15 F16 P215H10-A13 HydrophobicContact CB-CB 4.26Å; H10-A13 WeakPolarHBondContact O-CB 3.27Å; H10-A13 PolarHBondContact O-N 2.91Å; I11-A13 VanDerWaalsContact C-N 3.31Å; A13-D15 PolarHBondContact O-N 3.41Å; A13-D15 VanDerWaalsContact O-N 3.17Å; A13-F16 HydrophobicContact CB-CD2 4.36Å; A13-F16 PolarHBondContact O-N 3.41Å; A13-F16 VanDerWaalsContact O-N 3.14Å; A13-P215 HydrophobicContact CB-CG 3.93Å
14R96.1Very high98.1Very high184 Ų18442 Ų4269%0.69420%0.196SC*.G310 helixtrans-61.1-25.4179.5-65.4-178.2-176.2165.85.9112.5F16 D17R14-F16 PolarHBondContact O-N 2.96Å; R14-F16 VanDerWaalsContact O-N 3.08Å; R14-D17 WeakPolarHBondContact O-CB 3.47Å; R14-D17 PolarHBondContact O-N 3.42Å; R14-D17 VanDerWaalsContact O-N 3.12Å
15D97.6Very high98.1Very high91 Ų9146.1 Ų46.149%0.48722%0.216SC..G310 helixtrans-56.1-21175.7-62-105.9000113.9A13 P215 R224A13-D15 PolarHBondContact O-N 3.41Å; A13-D15 VanDerWaalsContact O-N 3.17Å; D15-P215 HydrophobicContact CB-CB 3.87Å; D15-P215 HydrophobicContact CB-CG 4Å; D15-R224 HydrophobicContact CB-CG 4.38Å; D15-R224 PolarHBondContact O-NH1 3.39Å
16F98.3Very high98.1Very high1 Ų147.7 Ų47.70%0.00423%0.225CC..G310 helixtrans-108.50.9-179.9-60.2-60.6000114.3I11 A13 R14 K18 D19 V20 V23 P215 R224 N225 E226I11-F16 HydrophobicContact CD1-CB 4.5Å; I11-F16 HydrophobicContact CD1-CD1 4.46Å; I11-F16 HydrophobicContact CD1-CD2 3.89Å; I11-F16 HydrophobicContact CD1-CE2 4.19Å; I11-F16 HydrophobicContact CD1-CG 4.03Å; A13-F16 HydrophobicContact CB-CD2 4.36Å; A13-F16 PolarHBondContact O-N 3.41Å; A13-F16 VanDerWaalsContact O-N 3.14Å; R14-F16 PolarHBondContact O-N 2.96Å; R14-F16 VanDerWaalsContact O-N 3.08Å; F16-K18 PolarHBondContact O-N 3.22Å; F16-D19 PolarHBondContact O-N 2.94Å; F16-V20 HydrophobicContact CB-CB 4.36Å; F16-V20 WeakPolarHBondContact O-CB 3.42Å; F16-V20 PolarHBondContact O-N 3.45Å; F16-V23 HydrophobicContact CD1-CG1 4.34Å; F16-V23 HydrophobicContact CD1-CG2 4Å; F16-V23 HydrophobicContact CE1-CG1 4.31Å; F16-V23 HydrophobicContact CE1-CG2 4.33Å; F16-P215 HydrophobicContact CE2-CB 3.84Å; F16-P215 HydrophobicContact CE2-CG 4.28Å; F16-P215 HydrophobicContact CZ-CB 3.8Å; F16-R224 HydrophobicContact CE1-CG 4.26Å; F16-R224 HydrophobicContact CZ-CG 4.45Å; F16-N225 WeakPolarHBondContact CZ-O 3.41Å; F16-E226 HydrophobicContact CE1-CG 4.23Å
17D96.4Very high98Very high93 Ų9347.7 Ų47.750%0.49723%0.225SC..THydrogen-bonded Turntrans-58-25.8-172.4-78.2-11.4000114.4R14 K47R14-D17 WeakPolarHBondContact O-CB 3.47Å; R14-D17 PolarHBondContact O-N 3.42Å; R14-D17 VanDerWaalsContact O-N 3.12Å; D17-K47 IonicContact OD1-NZ 2.81Å; D17-K47 PolarHBondContact OD1-NZ 2.85Å
18K97.8Very high98Very high206 Ų20652.7 Ų52.790%0.89625%0.246SC*.THydrogen-bonded Turntrans-95.1-20.1-173.4-64-177.7-178.8175.60113.8F16F16-K18 PolarHBondContact O-N 3.22Å
19D98.2Very high97.9Very high36 Ų3659.5 Ų59.519%0.19328%0.276CS..THydrogen-bonded Turntrans-147.116.3-164.765.5-22.2000114.1F16 E21 E22 V23 R224F16-D19 PolarHBondContact O-N 2.94Å; D19-E21 PolarHBondContact O-N 3.49Å; D19-E21 VanDerWaalsContact O-N 3.11Å; D19-E22 PolarHBondContact O-N 3.02Å; D19-V23 WeakPolarHBondContact O-CG2 3.49Å; D19-V23 PolarHBondContact O-N 3.07Å; D19-R224 VanDerWaalsContact CG-NH1 3.32Å; D19-R224 IonicContact OD1-CZ 2.71Å; D19-R224 IonicContact OD1-NH1 3.99Å; D19-R224 PolarHBondContact OD1-NH1 3.32Å; D19-R224 IonicContact OD1-NH2 2.91Å; D19-R224 IonicContact OD2-CZ 3.78Å; D19-R224 VanDerWaalsContact OD2-CZ 3.28Å; D19-R224 IonicContact OD2-NH1 3.21Å; D19-R224 PolarHBondContact OD2-NH1 2.97Å; D19-R224 IonicContact OD2-NH2 3.78Å; D19-R224 PolarHBondContact OD2-NH2 2.86Å
20V98.3Very high97.8Very high11 Ų1161.3 Ų61.37%0.06729%0.291CS..Hα-helixtrans-52.9-36.5-178.668.20000112.7I11 F16 V23 I24 L51I11-V20 HydrophobicContact CD1-CG2 4.18Å; I11-V20 HydrophobicContact CG1-CG2 4.01Å; F16-V20 HydrophobicContact CB-CB 4.36Å; F16-V20 WeakPolarHBondContact O-CB 3.42Å; F16-V20 PolarHBondContact O-N 3.45Å; V20-V23 PolarHBondContact O-N 3.35Å; V20-I24 HydrophobicContact CG2-CG1 4.23Å; V20-I24 WeakPolarHBondContact O-CB 3.11Å; V20-I24 WeakPolarHBondContact O-CG1 3.46Å; V20-I24 PolarHBondContact O-N 3.35Å; V20-L51 HydrophobicContact CG2-CD2 4.12Å
21E98.1Very high97.7Very high79 Ų7962.2 Ų62.237%0.36930%0.303SS..Hα-helixtrans-64.1-45.2178.7-58.678.8179.800111.7D19 I24 E25 R54 F55D19-E21 PolarHBondContact O-N 3.49Å; D19-E21 VanDerWaalsContact O-N 3.11Å; E21-I24 PolarHBondContact O-N 2.82Å; E21-E25 PolarHBondContact O-N 3.34Å; E21-R54 VanDerWaalsContact CD-NH2 3.31Å; E21-R54 IonicContact OE1-CZ 3.97Å; E21-R54 IonicContact OE1-NH1 3.92Å; E21-R54 PolarHBondContact OE1-NH1 3.35Å; E21-R54 IonicContact OE1-NH2 3.43Å; E21-R54 PolarHBondContact OE1-NH2 2.9Å; E21-F55 HydrophobicContact CG-CZ 4.26Å
22E98.5Very high97.7Very high118 Ų11862.4 Ų62.455%0.55130%0.304SS*.Hα-helixtrans-66.3-42.8177.4-177.4179.2169.300110.5D19 I24 E25 N26D19-E22 PolarHBondContact O-N 3.02Å; E22-I24 VanDerWaalsContact C-N 3.31Å; E22-I24 PolarHBondContact O-N 2.86Å; E22-E25 PolarHBondContact O-N 2.95Å; E22-N26 WeakPolarHBondContact O-CB 3.43Å; E22-N26 VanDerWaalsContact O-CG 3.26Å; E22-N26 PolarHBondContact O-N 3Å; E22-N26 PolarHBondContact O-ND2 2.74Å
23V98.6Very high97.7Very high2 Ų264.4 Ų64.41%0.01231%0.314CS..Hα-helixtrans-58.6-43.8175.8171.50000111I11 F16 D19 V20 S27 P227I11-V23 HydrophobicContact CD1-CG1 4.03Å; F16-V23 HydrophobicContact CD1-CG1 4.34Å; F16-V23 HydrophobicContact CD1-CG2 4Å; F16-V23 HydrophobicContact CE1-CG1 4.31Å; F16-V23 HydrophobicContact CE1-CG2 4.33Å; D19-V23 WeakPolarHBondContact O-CG2 3.49Å; D19-V23 PolarHBondContact O-N 3.07Å; V20-V23 PolarHBondContact O-N 3.35Å; V23-S27 WeakPolarHBondContact O-CB 3.26Å; V23-S27 PolarHBondContact O-N 3.21Å; V23-S27 PolarHBondContact O-OG 2.64Å; V23-P227 HydrophobicContact CG1-CG 4.4Å
24I98.3Very high97.7Very high2 Ų263.5 Ų63.51%0.0131%0.306CS..Hα-helixtrans-67.9-42.1178.1-68.5-64.4000111.5I11 V20 E21 E22 S27 K28 L35 F55 F58 I59I11-I24 HydrophobicContact CD1-CD1 4.47Å; I11-I24 HydrophobicContact CG1-CD1 4.25Å; V20-I24 HydrophobicContact CG2-CG1 4.23Å; V20-I24 WeakPolarHBondContact O-CB 3.11Å; V20-I24 WeakPolarHBondContact O-CG1 3.46Å; V20-I24 PolarHBondContact O-N 3.35Å; E21-I24 PolarHBondContact O-N 2.82Å; E22-I24 VanDerWaalsContact C-N 3.31Å; E22-I24 PolarHBondContact O-N 2.86Å; I24-S27 PolarHBondContact O-N 3.32Å; I24-K28 WeakPolarHBondContact O-CG 3.47Å; I24-K28 PolarHBondContact O-N 2.85Å; I24-L35 HydrophobicContact CD1-CD1 3.36Å; I24-F55 HydrophobicContact CB-CD1 4.47Å; I24-F55 HydrophobicContact CB-CE1 4.16Å; I24-F55 HydrophobicContact CB-CZ 4.41Å; I24-F55 HydrophobicContact CG1-CE1 4.4Å; I24-F55 HydrophobicContact CG1-CE2 4.36Å; I24-F55 HydrophobicContact CG1-CZ 4.25Å; I24-F55 HydrophobicContact CG2-CD1 3.68Å; I24-F55 HydrophobicContact CG2-CE1 3.79Å; I24-F55 HydrophobicContact CG2-CG 4.27Å; I24-F55 HydrophobicContact CG2-CZ 4.47Å; I24-F58 HydrophobicContact CB-CE1 4.47Å; I24-F58 HydrophobicContact CD1-CD1 4.11Å; I24-F58 HydrophobicContact CD1-CE1 3.8Å; I24-F58 HydrophobicContact CG2-CD1 3.73Å; I24-F58 HydrophobicContact CG2-CE1 3.67Å; I24-I59 HydrophobicContact CD1-CD1 3.66Å; I24-I59 HydrophobicContact CD1-CG1 4.05Å; I24-I59 HydrophobicContact CG1-CD1 4.26Å
25E98.2Very high97.8Very high106 Ų10654.7 Ų54.750%0.49527%0.273SS..Hα-helixtrans-62.5-45176.2-168.8-175.4163.500111.7E21 E22 S27 K28 K29E21-E25 PolarHBondContact O-N 3.34Å; E22-E25 PolarHBondContact O-N 2.95Å; E25-S27 VanDerWaalsContact C-N 3.29Å; E25-S27 PolarHBondContact O-N 2.99Å; E25-K28 PolarHBondContact O-N 3.47Å; E25-K29 WeakPolarHBondContact O-CG 3.44Å; E25-K29 PolarHBondContact O-N 2.9Å; E25-K29 WeakPolarHBondContact OE1-CE 3.4Å; E25-K29 IonicContact OE1-NZ 3.27Å; E25-K29 PolarHBondContact OE1-NZ 3.39Å
26N98.1Very high97.9Very high37 Ų3750.4 Ų50.420%0.19825%0.25CS..Hα-helixtrans-63.9-35.9177-72.9-25.5000111.9E22 K29 A30E22-N26 WeakPolarHBondContact O-CB 3.43Å; E22-N26 VanDerWaalsContact O-CG 3.26Å; E22-N26 PolarHBondContact O-N 3Å; E22-N26 PolarHBondContact O-ND2 2.74Å; N26-K29 PolarHBondContact O-N 3.36Å; N26-A30 WeakPolarHBondContact O-CB 3.41Å; N26-A30 PolarHBondContact O-N 3.46Å
27S98.2Very high97.9Very high0 Ų050.3 Ų50.30%025%0.25CC..Hα-helixtrans-64.9-43175.2-60.40000111.9V23 I24 E25 A30 G31 L32V23-S27 WeakPolarHBondContact O-CB 3.26Å; V23-S27 PolarHBondContact O-N 3.21Å; V23-S27 PolarHBondContact O-OG 2.64Å; I24-S27 PolarHBondContact O-N 3.32Å; E25-S27 VanDerWaalsContact C-N 3.29Å; E25-S27 PolarHBondContact O-N 2.99Å; S27-A30 PolarHBondContact O-N 2.93Å; S27-G31 PolarHBondContact O-N 3.03Å; S27-L32 WeakPolarHBondContact O-CB 3.07Å; S27-L32 VanDerWaalsContact O-CD1 3.24Å; S27-L32 WeakPolarHBondContact O-CD1 3.3Å; S27-L32 PolarHBondContact O-N 3.08Å; S27-L32 VanDerWaalsContact O-N 3.12Å
28K97.6Very high98Very high104 Ų10445.9 Ų45.945%0.45223%0.226SC..Hα-helixtrans-61.9-44.4174.3-70.7176-180-179.30111.9I24 E25 A30 G31 F58I24-K28 WeakPolarHBondContact O-CG 3.47Å; I24-K28 PolarHBondContact O-N 2.85Å; E25-K28 PolarHBondContact O-N 3.47Å; K28-A30 PolarHBondContact O-N 3.12Å; K28-G31 PolarHBondContact O-N 3.09Å; K28-F58 HydrophobicContact CD-CE2 4.45Å; K28-F58 HydrophobicContact CG-CD2 4.03Å; K28-F58 HydrophobicContact CG-CE1 4.05Å; K28-F58 HydrophobicContact CG-CE2 3.52Å; K28-F58 HydrophobicContact CG-CZ 3.53Å
29K97.5Very high98Very high144 Ų14436.1 Ų36.163%0.62618%0.184SC*.Hα-helixtrans-61.8-31.7175.9-70.9172.4-175.3162.90112.5E25 N26 G31E25-K29 WeakPolarHBondContact O-CG 3.44Å; E25-K29 PolarHBondContact O-N 2.9Å; E25-K29 WeakPolarHBondContact OE1-CE 3.4Å; E25-K29 IonicContact OE1-NZ 3.27Å; E25-K29 PolarHBondContact OE1-NZ 3.39Å; N26-K29 PolarHBondContact O-N 3.36Å; K29-G31 PolarHBondContact O-N 3.22Å
30A96.6Very high98Very high37 Ų3737.3 Ų37.331%0.30619%0.188SC..THydrogen-bonded Turntrans-76.5-0.117500000113.9Y4 N26 S27 K28 L32 R228Y4-A30 WeakPolarHBondContact CE2-O 3.36Å; N26-A30 WeakPolarHBondContact O-CB 3.41Å; N26-A30 PolarHBondContact O-N 3.46Å; S27-A30 PolarHBondContact O-N 2.93Å; K28-A30 PolarHBondContact O-N 3.12Å; A30-L32 HydrophobicContact CB-CD1 4.12Å; A30-R228 HydrophobicContact CB-CB 3.77Å
31G96.7Very high98Very high29 Ų2939.6 Ų39.630%0.29920%0.198SC..THydrogen-bonded Turntrans89.115.1176.400000114.6G3 Y4 S27 K28 K29G3-G31 CarbonylContact C-O 3.16Å; G3-G31 WeakPolarHBondContact CA-O 3.45Å; Y4-G31 PolarHBondContact N-O 3.02Å; S27-G31 PolarHBondContact O-N 3.03Å; K28-G31 PolarHBondContact O-N 3.09Å; K29-G31 PolarHBondContact O-N 3.22Å
32L97.9Very high97.9Very high7 Ų737 Ų374%0.03719%0.191CC..EExtended strand (participates in β ladder)trans-68138.4168.4-7780.6000109.8Y4 D6 S27 A30 L35 F58 P227 I230Y4-L32 WeakPolarHBondContact O-CA 3.29Å; D6-L32 HydrophobicContact CB-CD2 3.95Å; S27-L32 WeakPolarHBondContact O-CB 3.07Å; S27-L32 VanDerWaalsContact O-CD1 3.24Å; S27-L32 WeakPolarHBondContact O-CD1 3.3Å; S27-L32 PolarHBondContact O-N 3.08Å; S27-L32 VanDerWaalsContact O-N 3.12Å; A30-L32 HydrophobicContact CB-CD1 4.12Å; L32-L35 HydrophobicContact CD2-CD2 3.76Å; L32-L35 HydrophobicContact CD2-CG 4.16Å; L32-F58 HydrophobicContact CB-CE2 4.12Å; L32-F58 HydrophobicContact CB-CZ 4Å; L32-F58 WeakPolarHBondContact O-CE2 3.48Å; L32-P227 HydrophobicContact CD2-CB 3.82Å; L32-I230 HydrophobicContact CD1-CB 4.5Å; L32-I230 HydrophobicContact CD1-CG2 3.51Å; L32-I230 HydrophobicContact CD2-CG2 4.49Å; L32-I230 HydrophobicContact CG-CG2 3.96Å
33L97.2Very high97.8Very high46 Ų4634.9 Ų34.924%0.24120%0.2CC..EExtended strand (participates in β ladder)trans-99.9-32.7174.8-56.7175.2000111M1 Y4 F58 T253 I267M1-L33 HydrophobicContact CG-CD1 3.52Å; M1-L33 HydrophobicContact SD-CD1 3.73Å; Y4-L33 PolarHBondContact O-N 3.18Å; L33-F58 WeakPolarHBondContact O-CD2 3.48Å; L33-T253 HydrophobicContact CD1-CG2 4.43Å; L33-I267 HydrophobicContact CB-CG2 4.44Å
34A98Very high97.7Very high0 Ų035.7 Ų35.70%020%0.203CC..EExtended strand (participates in β ladder)trans-157.5157.6-179.600000113I5 D6 F58 F60 L263 I267I5-A34 HydrophobicContact CG1-CB 4.43Å; I5-A34 HydrophobicContact CG2-CB 4.37Å; D6-A34 PolarHBondContact N-O 3.1Å; A34-F58 CarbonylContact C-O 3.58Å; A34-F58 VanDerWaalsContact CA-O 3.29Å; A34-F58 WeakPolarHBondContact CA-O 3.43Å; A34-F60 HydrophobicContact CB-CD2 3.79Å; A34-F60 HydrophobicContact CB-CE2 3.57Å; A34-L263 HydrophobicContact CB-CD1 4.07Å; A34-I267 HydrophobicContact CB-CD1 3.47Å; A34-I267 VanDerWaalsContact CB-CD1 3.47Å
35L98.2Very high97.7Very high0 Ų035.6 Ų35.60%020%0.203CC..EExtended strand (participates in β ladder)trans-127.4124.5175.2-74.7161.5000109.1D6 I24 L32 F58 I59 F60 P227D6-L35 HydrophobicContact CB-CD2 3.55Å; I24-L35 HydrophobicContact CD1-CD1 3.36Å; L32-L35 HydrophobicContact CD2-CD2 3.76Å; L32-L35 HydrophobicContact CD2-CG 4.16Å; L35-F58 HydrophobicContact CD1-CD1 3.95Å; L35-F58 HydrophobicContact CD1-CE1 3.31Å; L35-F58 HydrophobicContact CD1-CZ 3.93Å; L35-F58 HydrophobicContact CG-CE1 4.11Å; L35-F58 HydrophobicContact CG-CZ 4.36Å; L35-F58 PolarHBondContact N-O 3Å; L35-I59 HydrophobicContact CB-CG1 4.49Å; L35-I59 HydrophobicContact CD1-CG1 4.43Å; L35-I59 WeakPolarHBondContact O-CA 3.33Å; L35-F60 PolarHBondContact O-N 2.74Å; L35-P227 HydrophobicContact CD1-CG 4.5Å; L35-P227 HydrophobicContact CD2-CB 3.41Å; L35-P227 VanDerWaalsContact CD2-CB 3.41Å; L35-P227 HydrophobicContact CD2-CG 3.75Å
36L98.8Very high97.7Very high0 Ų033.7 Ų33.70%020%0.199CC..EExtended strand (participates in β ladder)trans-90.4109.9167.5-82.168.8000108.5I5 D6 C7 C9 F60 V99 F260 L263I5-L36 HydrophobicContact CG2-CD1 4.01Å; D6-L36 PolarHBondContact O-N 3.18Å; C7-L36 WeakPolarHBondContact O-CB 3.38Å; C9-L36 PolarHBondContact N-O 3.37Å; C9-L36 VanDerWaalsContact N-O 3.1Å; C9-L36 PolarHBondContact SG-O 3.42Å; C9-L36 VanDerWaalsContact SG-O 3.39Å; L36-F60 WeakPolarHBondContact CA-O 3.49Å; L36-F60 HydrophobicContact CG-CB 4.45Å; L36-V99 HydrophobicContact CD2-CG2 4.22Å; L36-V99 HydrophobicContact CG-CG2 4.1Å; L36-F260 HydrophobicContact CD2-CD1 3.74Å; L36-F260 HydrophobicContact CD2-CD2 3.69Å; L36-F260 HydrophobicContact CD2-CE1 3.59Å; L36-F260 HydrophobicContact CD2-CE2 3.49Å; L36-F260 VanDerWaalsContact CD2-CE2 3.49Å; L36-F260 HydrophobicContact CD2-CG 3.83Å; L36-F260 HydrophobicContact CD2-CZ 3.45Å; L36-F260 VanDerWaalsContact CD2-CZ 3.45Å; L36-L263 HydrophobicContact CD1-CD1 4.31Å; L36-L263 HydrophobicContact CD1-CD2 4.14Å
37A98.8Very high97.7Very high0 Ų034.9 Ų34.90%020%0.202CC..EExtended strand (participates in β ladder)trans-87110.7177.800000109.3C9 I11 I48 I59 F60 C62C9-A37 WeakPolarHBondContact O-CA 3.35Å; I11-A37 HydrophobicContact CG2-CB 3.6Å; A37-I48 HydrophobicContact CB-CG2 4.13Å; A37-I59 HydrophobicContact CB-CG2 3.83Å; A37-F60 PolarHBondContact N-O 2.94Å; A37-C62 WeakPolarHBondContact O-CB 3.29Å; A37-C62 PolarHBondContact O-N 2.83Å
38V98.9Very high97.7Very high0 Ų034.9 Ų34.90%020%0.202CC..  trans-95150.6178.5-68.10000111.7C9 C62 E103 N141C9-V38 WeakPolarHBondContact O-CG2 3.12Å; C9-V38 PolarHBondContact O-N 3.31Å; V38-C62 HydrophobicContact CB-CB 4.5Å; V38-C62 HydrophobicContact CG1-CB 3.89Å; V38-E103 HydrophobicContact CB-CB 4.12Å; V38-E103 HydrophobicContact CG2-CB 4.38Å; V38-N141 HydrophobicContact CG1-CB 4.2Å; V38-N141 WeakPolarHBondContact CG1-ND2 3.34Å
39A98.4Very high97.8Very high0 Ų030 Ų300%018%0.181CC..  trans-100.6152174.300000111.7E44 F45 I48 C62 L63 G102 E103A39-E44 WeakPolarHBondContact CA-OE1 3.42Å; A39-E44 HydrophobicContact CB-CG 4.35Å; A39-F45 HydrophobicContact CB-CD1 3.62Å; A39-F45 HydrophobicContact CB-CE1 3.38Å; A39-F45 HydrophobicContact CB-CZ 4.49Å; A39-I48 HydrophobicContact CB-CD1 3.39Å; A39-C62 PolarHBondContact N-O 3.49Å; A39-L63 HydrophobicContact CB-CD2 4.21Å; A39-G102 PolarHBondContact N-O 3.14Å; A39-E103 WeakPolarHBondContact O-CB 3.07Å; A39-E103 PolarHBondContact O-N 3.14Å
40E98.1Very high97.8Very high62 Ų6228.6 Ų28.629%0.2918%0.177SC..SBendtrans-102.5-37.7166.6-63.7-172.3167.200112.2H10 E44 H66 Q69H10-E40 IonicContact CE1-OE1 3Å; H10-E40 IonicContact ND1-OE1 3.91Å; E40-E44 PolarHBondContact N-OE1 3.21Å; E40-H66 HydrophobicContact CB-CB 3.95Å; E40-H66 HydrophobicContact CG-CB 4.29Å; E40-H66 WeakPolarHBondContact O-CB 3.03Å; E40-H66 PolarHBondContact O-N 3.46Å; E40-Q69 PolarHBondContact O-NE2 2.86Å
41H97.2Very high97.9Very high58 Ų5827.5 Ų27.527%0.26917%0.165SC..SBendtrans-143.7156-174.164.855.5000113.4G43 E44 F45H41-G43 PolarHBondContact ND1-N 3.3Å; H41-G43 PolarHBondContact O-N 2.94Å; H41-E44 PolarHBondContact ND1-N 3.08Å; H41-E44 VanDerWaalsContact O-CG 3.28Å; H41-E44 WeakPolarHBondContact O-CG 3.31Å; H41-E44 PolarHBondContact O-N 2.65Å; H41-F45 WeakPolarHBondContact O-CD1 3.38Å; H41-F45 VanDerWaalsContact O-CE1 3.28Å; H41-F45 WeakPolarHBondContact O-CE1 3.46Å
42A96.9Very high98Very high26 Ų2626.8 Ų26.822%0.21516%0.156CC..G310 helixtrans-56.8-30.1-176.400000114.4E44 F45 A87A42-E44 PolarHBondContact O-N 3.15Å; A42-E44 VanDerWaalsContact O-N 3.17Å; A42-F45 HydrophobicContact CB-CE2 4.45Å; A42-F45 WeakPolarHBondContact O-CB 3.49Å; A42-F45 PolarHBondContact O-N 3.05Å; A42-A87 HydrophobicContact CB-CB 4.08Å
43G96.1Very high98Very high72 Ų7232 Ų3274%0.74218%0.18SC*.G310 helixtrans-62.6-18.8-177.900000115.8H41H41-G43 PolarHBondContact ND1-N 3.3Å; H41-G43 PolarHBondContact O-N 2.94Å
44E96.8Very high98Very high20 Ų2036.3 Ų36.39%0.09319%0.193CC..G310 helixtrans-105.5-2.1178.763.4173.8151.900113.6S12 A39 E40 H41 A42 T46 K47 I48S12-E44 WeakPolarHBondContact CB-OE2 3.25Å; S12-E44 PolarHBondContact OG-OE2 3.16Å; A39-E44 WeakPolarHBondContact CA-OE1 3.42Å; A39-E44 HydrophobicContact CB-CG 4.35Å; E40-E44 PolarHBondContact N-OE1 3.21Å; H41-E44 PolarHBondContact ND1-N 3.08Å; H41-E44 VanDerWaalsContact O-CG 3.28Å; H41-E44 WeakPolarHBondContact O-CG 3.31Å; H41-E44 PolarHBondContact O-N 2.65Å; A42-E44 PolarHBondContact O-N 3.15Å; A42-E44 VanDerWaalsContact O-N 3.17Å; E44-T46 VanDerWaalsContact C-N 3.3Å; E44-T46 PolarHBondContact O-N 3.31Å; E44-K47 WeakPolarHBondContact O-CB 3.22Å; E44-K47 PolarHBondContact O-N 3.34Å; E44-I48 HydrophobicContact CG-CD1 4.03Å; E44-I48 PolarHBondContact O-N 2.78Å
45F98.4Very high97.9Very high0 Ų037.5 Ų37.50%020%0.198CC..Hα-helixtrans-58.1-43.2-175-74.812.1000112A39 H41 A42 K47 I48 I49 L63 G64 A87 I90 I91A39-F45 HydrophobicContact CB-CD1 3.62Å; A39-F45 HydrophobicContact CB-CE1 3.38Å; A39-F45 HydrophobicContact CB-CZ 4.49Å; H41-F45 WeakPolarHBondContact O-CD1 3.38Å; H41-F45 VanDerWaalsContact O-CE1 3.28Å; H41-F45 WeakPolarHBondContact O-CE1 3.46Å; A42-F45 HydrophobicContact CB-CE2 4.45Å; A42-F45 WeakPolarHBondContact O-CB 3.49Å; A42-F45 PolarHBondContact O-N 3.05Å; F45-K47 VanDerWaalsContact C-N 3.32Å; F45-K47 PolarHBondContact O-N 2.98Å; F45-I48 PolarHBondContact O-N 2.59Å; F45-I49 WeakPolarHBondContact O-CG1 3.43Å; F45-I49 PolarHBondContact O-N 2.97Å; F45-L63 HydrophobicContact CB-CD1 4.08Å; F45-L63 HydrophobicContact CB-CD2 3.85Å; F45-L63 HydrophobicContact CD1-CB 4.47Å; F45-L63 HydrophobicContact CD1-CD2 3.74Å; F45-L63 HydrophobicContact CD2-CB 4.19Å; F45-L63 HydrophobicContact CD2-CD1 3.84Å; F45-L63 HydrophobicContact CD2-CD2 4.27Å; F45-L63 HydrophobicContact CD2-CG 4.32Å; F45-L63 HydrophobicContact CE1-CB 4.34Å; F45-L63 HydrophobicContact CE1-CD2 4.35Å; F45-L63 HydrophobicContact CE2-CB 4.07Å; F45-L63 HydrophobicContact CE2-CD1 4.46Å; F45-L63 HydrophobicContact CG-CB 4.4Å; F45-L63 HydrophobicContact CG-CD1 4Å; F45-L63 HydrophobicContact CG-CD2 3.69Å; F45-L63 HydrophobicContact CG-CG 4.24Å; F45-L63 HydrophobicContact CZ-CB 4.14Å; F45-G64 VanDerWaalsContact CE1-O 3.28Å; F45-G64 WeakPolarHBondContact CE1-O 3.35Å; F45-G64 VanDerWaalsContact CZ-O 3.31Å; F45-G64 WeakPolarHBondContact CZ-O 3.37Å; F45-A87 HydrophobicContact CE2-CB 3.74Å; F45-A87 HydrophobicContact CZ-CB 3.95Å; F45-I90 HydrophobicContact CB-CG2 3.86Å; F45-I90 HydrophobicContact CD2-CB 3.9Å; F45-I90 HydrophobicContact CD2-CD1 4.45Å; F45-I90 HydrophobicContact CD2-CG2 3.73Å; F45-I90 HydrophobicContact CG-CG2 4.33Å; F45-I91 HydrophobicContact CD2-CG1 4.46Å; F45-I91 HydrophobicContact CE2-CD1 4.15Å; F45-I91 HydrophobicContact CE2-CG1 3.74Å; F45-I91 HydrophobicContact CZ-CG1 4.49Å
46T97.8Very high97.8Very high66 Ų6642.4 Ų42.441%0.40523%0.23SC..Hα-helixtrans-61.2-42.2176.8-57.80000111.3E44 I48 I49 E50E44-T46 VanDerWaalsContact C-N 3.3Å; E44-T46 PolarHBondContact O-N 3.31Å; T46-I48 PolarHBondContact O-N 2.89Å; T46-I49 PolarHBondContact O-N 2.96Å; T46-E50 HydrophobicContact CG2-CG 4.36Å; T46-E50 WeakPolarHBondContact CG2-OE1 3.5Å; T46-E50 WeakPolarHBondContact O-CB 3.35Å; T46-E50 VanDerWaalsContact O-CG 3.32Å; T46-E50 WeakPolarHBondContact O-CG 3.41Å; T46-E50 PolarHBondContact O-N 3.3Å
47K98.3Very high97.6Very high61 Ų6144.5 Ų44.527%0.26525%0.251SS..Hα-helixtrans-63.5-41.8178.6-175.3-179.1180-174.20111.7S12 D17 E44 F45 I49 E50 L51S12-K47 WeakPolarHBondContact O-CE 3.38Å; S12-K47 PolarHBondContact O-NZ 2.84Å; D17-K47 IonicContact OD1-NZ 2.81Å; D17-K47 PolarHBondContact OD1-NZ 2.85Å; E44-K47 WeakPolarHBondContact O-CB 3.22Å; E44-K47 PolarHBondContact O-N 3.34Å; F45-K47 VanDerWaalsContact C-N 3.32Å; F45-K47 PolarHBondContact O-N 2.98Å; K47-I49 VanDerWaalsContact C-N 3.34Å; K47-I49 PolarHBondContact O-N 2.92Å; K47-E50 PolarHBondContact O-N 2.97Å; K47-L51 HydrophobicContact CG-CD1 4.3Å; K47-L51 WeakPolarHBondContact O-CB 3.32Å; K47-L51 VanDerWaalsContact O-CG 3.3Å; K47-L51 WeakPolarHBondContact O-CG 3.1Å; K47-L51 PolarHBondContact O-N 2.98Å
48I98.7Very high97.5Very high0 Ų045 Ų450%025%0.254CS..Hα-helixtrans-61.6-44175.8-70.4168000110.9S12 A37 A39 E44 F45 T46 L51 S52 P61 L63S12-I48 WeakPolarHBondContact OG-CG1 3.42Å; A37-I48 HydrophobicContact CB-CG2 4.13Å; A39-I48 HydrophobicContact CB-CD1 3.39Å; E44-I48 HydrophobicContact CG-CD1 4.03Å; E44-I48 PolarHBondContact O-N 2.78Å; F45-I48 PolarHBondContact O-N 2.59Å; T46-I48 PolarHBondContact O-N 2.89Å; I48-L51 PolarHBondContact O-N 2.92Å; I48-S52 PolarHBondContact O-N 3.47Å; I48-P61 HydrophobicContact CG2-CB 3.62Å; I48-L63 HydrophobicContact CB-CD2 4.16Å; I48-L63 HydrophobicContact CD1-CD2 4.16Å; I48-L63 HydrophobicContact CG2-CD2 4.01Å
49I98.6Very high97.5Very high3 Ų345.2 Ų45.22%0.01526%0.255CS..Hα-helixtrans-63.9-45.9176.4-65.5-65.5000111.1F45 T46 K47 L51 S52 Q53 P61 L63 Y94 Q97 L98F45-I49 WeakPolarHBondContact O-CG1 3.43Å; F45-I49 PolarHBondContact O-N 2.97Å; T46-I49 PolarHBondContact O-N 2.96Å; K47-I49 VanDerWaalsContact C-N 3.34Å; K47-I49 PolarHBondContact O-N 2.92Å; I49-L51 VanDerWaalsContact C-N 3.33Å; I49-L51 PolarHBondContact O-N 3.17Å; I49-S52 PolarHBondContact O-N 3Å; I49-S52 VanDerWaalsContact O-N 3.14Å; I49-S52 PolarHBondContact O-OG 3.19Å; I49-Q53 WeakPolarHBondContact O-CG 3.47Å; I49-Q53 PolarHBondContact O-N 3.38Å; I49-P61 HydrophobicContact CD1-CB 3.89Å; I49-P61 HydrophobicContact CD1-CG 3.99Å; I49-L63 HydrophobicContact CD1-CD1 4.39Å; I49-L63 HydrophobicContact CG1-CD1 4.43Å; I49-Y94 HydrophobicContact CD1-CD1 4.3Å; I49-Y94 HydrophobicContact CD1-CD2 4.27Å; I49-Y94 HydrophobicContact CD1-CG 3.9Å; I49-Y94 HydrophobicContact CG1-CD1 4.24Å; I49-Y94 HydrophobicContact CG1-CD2 3.8Å; I49-Y94 HydrophobicContact CG1-CE2 4.07Å; I49-Y94 HydrophobicContact CG1-CG 3.88Å; I49-Y94 HydrophobicContact CG2-CD1 4.09Å; I49-Y94 HydrophobicContact CG2-CE1 3.93Å; I49-Q97 HydrophobicContact CD1-CB 4.44Å; I49-L98 HydrophobicContact CD1-CD2 4.09Å
50E98.3Very high97.5Very high114 Ų11446 Ų4653%0.53326%0.258SS..Hα-helixtrans-59-42.6176.2-74.4171.6177.700112T46 K47 S52 Q53 R54T46-E50 HydrophobicContact CG2-CG 4.36Å; T46-E50 WeakPolarHBondContact CG2-OE1 3.5Å; T46-E50 WeakPolarHBondContact O-CB 3.35Å; T46-E50 VanDerWaalsContact O-CG 3.32Å; T46-E50 WeakPolarHBondContact O-CG 3.41Å; T46-E50 PolarHBondContact O-N 3.3Å; K47-E50 PolarHBondContact O-N 2.97Å; E50-S52 VanDerWaalsContact C-N 3.35Å; E50-S52 PolarHBondContact O-N 3.01Å; E50-Q53 PolarHBondContact O-N 2.85Å; E50-R54 VanDerWaalsContact O-CB 3.25Å; E50-R54 WeakPolarHBondContact O-CB 3.47Å; E50-R54 PolarHBondContact O-N 2.98Å
51L98.5Very high97.6Very high13 Ų1343.2 Ų43.27%0.06825%0.246CC..Hα-helixtrans-61.6-41.8174.6-73.7170.9000111.7I11 V20 K47 I48 I49 Q53 R54 F55 I59I11-L51 HydrophobicContact CG2-CD1 4.2Å; V20-L51 HydrophobicContact CG2-CD2 4.12Å; K47-L51 HydrophobicContact CG-CD1 4.3Å; K47-L51 WeakPolarHBondContact O-CB 3.32Å; K47-L51 VanDerWaalsContact O-CG 3.3Å; K47-L51 WeakPolarHBondContact O-CG 3.1Å; K47-L51 PolarHBondContact O-N 2.98Å; I48-L51 PolarHBondContact O-N 2.92Å; I49-L51 VanDerWaalsContact C-N 3.33Å; I49-L51 PolarHBondContact O-N 3.17Å; L51-Q53 VanDerWaalsContact C-N 3.32Å; L51-Q53 PolarHBondContact O-N 3.5Å; L51-R54 PolarHBondContact O-N 2.92Å; L51-F55 HydrophobicContact CD2-CD2 4.45Å; L51-F55 HydrophobicContact CD2-CE2 4.11Å; L51-F55 WeakPolarHBondContact O-CD2 3.33Å; L51-F55 PolarHBondContact O-N 3.32Å; L51-I59 HydrophobicContact CB-CD1 4.22Å; L51-I59 HydrophobicContact CB-CG2 4.48Å
52S98.2Very high97.6Very high14 Ų1440.5 Ų40.510%0.09823%0.233CC..Hα-helixtrans-63.6-36.3176.2770000113.2I48 I49 E50 F55 P56 I59I48-S52 PolarHBondContact O-N 3.47Å; I49-S52 PolarHBondContact O-N 3Å; I49-S52 VanDerWaalsContact O-N 3.14Å; I49-S52 PolarHBondContact O-OG 3.19Å; E50-S52 VanDerWaalsContact C-N 3.35Å; E50-S52 PolarHBondContact O-N 3.01Å; S52-F55 CarbonylContact O-C 3.54Å; S52-P56 WeakPolarHBondContact O-CA 3.28Å; S52-I59 WeakPolarHBondContact CB-O 3.31Å
53Q97.4Very high97.7Very high117 Ų11739.2 Ų39.255%0.54722%0.223SC..Hα-helixtrans-74.2-34.3177.3-69.1173.24.800112.1I49 E50 L51 P56I49-Q53 WeakPolarHBondContact O-CG 3.47Å; I49-Q53 PolarHBondContact O-N 3.38Å; E50-Q53 PolarHBondContact O-N 2.85Å; L51-Q53 VanDerWaalsContact C-N 3.32Å; L51-Q53 PolarHBondContact O-N 3.5Å; Q53-P56 WeakPolarHBondContact O-CD 3.39Å
54R97.6Very high97.8Very high137 Ų13735.8 Ų35.852%0.51719%0.187SC..Hα-helixtrans-72.7-32.6178.2-172.5176.4-179.3-163.80112.7E21 E50 L51 P56E21-R54 VanDerWaalsContact CD-NH2 3.31Å; E21-R54 IonicContact OE1-CZ 3.97Å; E21-R54 IonicContact OE1-NH1 3.92Å; E21-R54 PolarHBondContact OE1-NH1 3.35Å; E21-R54 IonicContact OE1-NH2 3.43Å; E21-R54 PolarHBondContact OE1-NH2 2.9Å; E50-R54 VanDerWaalsContact O-CB 3.25Å; E50-R54 WeakPolarHBondContact O-CB 3.47Å; E50-R54 PolarHBondContact O-N 2.98Å; L51-R54 PolarHBondContact O-N 2.92Å; R54-P56 WeakPolarHBondContact O-CD 3.47Å
55F97.1Very high97.9Very high25 Ų2534.9 Ų34.911%0.1118%0.183CC..SBendtrans-121.362.5179.2-58.2-78.5000111.3E21 I24 L51 S52 F58 I59E21-F55 HydrophobicContact CG-CZ 4.26Å; I24-F55 HydrophobicContact CB-CD1 4.47Å; I24-F55 HydrophobicContact CB-CE1 4.16Å; I24-F55 HydrophobicContact CB-CZ 4.41Å; I24-F55 HydrophobicContact CG1-CE1 4.4Å; I24-F55 HydrophobicContact CG1-CE2 4.36Å; I24-F55 HydrophobicContact CG1-CZ 4.25Å; I24-F55 HydrophobicContact CG2-CD1 3.68Å; I24-F55 HydrophobicContact CG2-CE1 3.79Å; I24-F55 HydrophobicContact CG2-CG 4.27Å; I24-F55 HydrophobicContact CG2-CZ 4.47Å; L51-F55 HydrophobicContact CD2-CD2 4.45Å; L51-F55 HydrophobicContact CD2-CE2 4.11Å; L51-F55 WeakPolarHBondContact O-CD2 3.33Å; L51-F55 PolarHBondContact O-N 3.32Å; S52-F55 CarbonylContact O-C 3.54Å; F55-F58 PolarHBondContact O-N 3.49Å; F55-F58 VanDerWaalsContact O-N 3.15Å; F55-I59 HydrophobicContact CB-CB 4.31Å; F55-I59 HydrophobicContact CB-CD1 3.83Å; F55-I59 HydrophobicContact CB-CG1 3.84Å; F55-I59 HydrophobicContact CD2-CD1 3.5Å; F55-I59 VanDerWaalsContact CD2-CD1 3.5Å; F55-I59 HydrophobicContact CD2-CG1 4.45Å; F55-I59 HydrophobicContact CE2-CD1 4.32Å; F55-I59 HydrophobicContact CG-CD1 3.93Å; F55-I59 HydrophobicContact CG-CG1 4.44Å; F55-I59 PolarHBondContact O-N 3.14Å; F55-I59 VanDerWaalsContact O-N 3.07Å
56P95.4Very high97.9Very high103 Ų10335.5 Ų35.567%0.66919%0.186SC*.THydrogen-bonded Turntrans-63.7139.9-173.528.8-35.4000111S52 Q53 R54 F58S52-P56 WeakPolarHBondContact O-CA 3.28Å; Q53-P56 WeakPolarHBondContact O-CD 3.39Å; R54-P56 WeakPolarHBondContact O-CD 3.47Å; P56-F58 PolarHBondContact O-N 2.58Å
57G94.6Very high98Very high43 Ų4332.5 Ų32.544%0.44317%0.167SC..THydrogen-bonded Turntrans74.62-177.500000114.6
58F97.3Very high97.9Very high11 Ų1130 Ų305%0.04816%0.157CC..THydrogen-bonded Turntrans-124.3-47.9179-168.1-109.4000112.7I24 K28 L32 L33 A34 L35 F55 P56 F60I24-F58 HydrophobicContact CB-CE1 4.47Å; I24-F58 HydrophobicContact CD1-CD1 4.11Å; I24-F58 HydrophobicContact CD1-CE1 3.8Å; I24-F58 HydrophobicContact CG2-CD1 3.73Å; I24-F58 HydrophobicContact CG2-CE1 3.67Å; K28-F58 HydrophobicContact CD-CE2 4.45Å; K28-F58 HydrophobicContact CG-CD2 4.03Å; K28-F58 HydrophobicContact CG-CE1 4.05Å; K28-F58 HydrophobicContact CG-CE2 3.52Å; K28-F58 HydrophobicContact CG-CZ 3.53Å; L32-F58 HydrophobicContact CB-CE2 4.12Å; L32-F58 HydrophobicContact CB-CZ 4Å; L32-F58 WeakPolarHBondContact O-CE2 3.48Å; L33-F58 WeakPolarHBondContact O-CD2 3.48Å; A34-F58 CarbonylContact C-O 3.58Å; A34-F58 VanDerWaalsContact CA-O 3.29Å; A34-F58 WeakPolarHBondContact CA-O 3.43Å; L35-F58 HydrophobicContact CD1-CD1 3.95Å; L35-F58 HydrophobicContact CD1-CE1 3.31Å; L35-F58 HydrophobicContact CD1-CZ 3.93Å; L35-F58 HydrophobicContact CG-CE1 4.11Å; L35-F58 HydrophobicContact CG-CZ 4.36Å; L35-F58 PolarHBondContact N-O 3Å; F55-F58 PolarHBondContact O-N 3.49Å; F55-F58 VanDerWaalsContact O-N 3.15Å; P56-F58 PolarHBondContact O-N 2.58Å; F58-F60 WeakPolarHBondContact O-CD2 3.39Å
59I98.3Very high97.9Very high4 Ų430.5 Ų30.52%0.02116%0.16CC..EExtended strand (participates in β ladder)trans-98.8127.5175.3-60-178.3000109.5I11 I24 L35 A37 L51 S52 F55I11-I59 HydrophobicContact CG2-CD1 4.48Å; I24-I59 HydrophobicContact CD1-CD1 3.66Å; I24-I59 HydrophobicContact CD1-CG1 4.05Å; I24-I59 HydrophobicContact CG1-CD1 4.26Å; L35-I59 HydrophobicContact CB-CG1 4.49Å; L35-I59 HydrophobicContact CD1-CG1 4.43Å; L35-I59 WeakPolarHBondContact O-CA 3.33Å; A37-I59 HydrophobicContact CB-CG2 3.83Å; L51-I59 HydrophobicContact CB-CD1 4.22Å; L51-I59 HydrophobicContact CB-CG2 4.48Å; S52-I59 WeakPolarHBondContact CB-O 3.31Å; F55-I59 HydrophobicContact CB-CB 4.31Å; F55-I59 HydrophobicContact CB-CD1 3.83Å; F55-I59 HydrophobicContact CB-CG1 3.84Å; F55-I59 HydrophobicContact CD2-CD1 3.5Å; F55-I59 VanDerWaalsContact CD2-CD1 3.5Å; F55-I59 HydrophobicContact CD2-CG1 4.45Å; F55-I59 HydrophobicContact CE2-CD1 4.32Å; F55-I59 HydrophobicContact CG-CD1 3.93Å; F55-I59 HydrophobicContact CG-CG1 4.44Å; F55-I59 PolarHBondContact O-N 3.14Å; F55-I59 VanDerWaalsContact O-N 3.07Å
60F98.6Very high97.5Very high16 Ų1634.5 Ų34.57%0.0718%0.178CC..EExtended strand (participates in β ladder)trans-119122.7-178.2-66.9-86.8000110.3A34 L35 L36 A37 F58 V99 L263 A266 I267A34-F60 HydrophobicContact CB-CD2 3.79Å; A34-F60 HydrophobicContact CB-CE2 3.57Å; L35-F60 PolarHBondContact O-N 2.74Å; L36-F60 WeakPolarHBondContact CA-O 3.49Å; L36-F60 HydrophobicContact CG-CB 4.45Å; A37-F60 PolarHBondContact N-O 2.94Å; F58-F60 WeakPolarHBondContact O-CD2 3.39Å; F60-V99 HydrophobicContact CB-CB 4.43Å; F60-V99 HydrophobicContact CB-CG1 3.86Å; F60-V99 HydrophobicContact CB-CG2 3.72Å; F60-V99 HydrophobicContact CD1-CG1 3.7Å; F60-V99 HydrophobicContact CG-CG1 4.19Å; F60-L263 HydrophobicContact CB-CD1 4.37Å; F60-L263 HydrophobicContact CD1-CD1 3.78Å; F60-L263 HydrophobicContact CD2-CD1 3.36Å; F60-L263 HydrophobicContact CE1-CD1 3.82Å; F60-L263 HydrophobicContact CE2-CD1 3.41Å; F60-L263 VanDerWaalsContact CE2-CD1 3.41Å; F60-L263 HydrophobicContact CG-CD1 3.54Å; F60-L263 HydrophobicContact CZ-CD1 3.64Å; F60-A266 HydrophobicContact CE1-CB 3.43Å; F60-A266 VanDerWaalsContact CE1-CB 3.43Å; F60-A266 HydrophobicContact CZ-CB 3.74Å; F60-I267 HydrophobicContact CE2-CD1 4.25Å; F60-I267 HydrophobicContact CE2-CG1 4.27Å; F60-I267 HydrophobicContact CZ-CD1 4.44Å; F60-I267 HydrophobicContact CZ-CG1 4.01Å
61P98.7Very high97Very high5 Ų532.9 Ų32.93%0.03218%0.176CC..EExtended strand (participates in β ladder)trans-82.5135.8-170.632.4-33.4000111.7I48 I49 Q97 L98 V99I48-P61 HydrophobicContact CG2-CB 3.62Å; I49-P61 HydrophobicContact CD1-CB 3.89Å; I49-P61 HydrophobicContact CD1-CG 3.99Å; P61-Q97 HydrophobicContact CG-CB 4.47Å; P61-Q97 WeakPolarHBondContact CG-O 3.47Å; P61-L98 HydrophobicContact CB-CD2 4.22Å; P61-L98 HydrophobicContact CG-CD2 4.22Å; P61-L98 WeakPolarHBondContact O-CA 3.39Å; P61-V99 PolarHBondContact O-N 3.3Å
62C98.8Very high96.4Very high0 Ų034 Ų340%019%0.185CC..EExtended strand (participates in β ladder)trans-122.4127.7167.2-49.20000107A37 V38 A39 A100 G102A37-C62 WeakPolarHBondContact O-CB 3.29Å; A37-C62 PolarHBondContact O-N 2.83Å; V38-C62 HydrophobicContact CB-CB 4.5Å; V38-C62 HydrophobicContact CG1-CB 3.89Å; A39-C62 PolarHBondContact N-O 3.49Å; C62-A100 WeakPolarHBondContact CA-O 3.45Å; C62-A100 HydrophobicContact CB-CB 4.22Å; C62-G102 CarbonylContact C-O 3.58Å
63L98.8Very high95.6Very high0 Ų038.1 Ų38.10%021%0.211CC..EExtended strand (participates in β ladder)trans-117.9137.2178-58.9-177.2000109.7A39 F45 I48 I49 I91 Y94 L98 V101 G102A39-L63 HydrophobicContact CB-CD2 4.21Å; F45-L63 HydrophobicContact CB-CD1 4.08Å; F45-L63 HydrophobicContact CB-CD2 3.85Å; F45-L63 HydrophobicContact CD1-CB 4.47Å; F45-L63 HydrophobicContact CD1-CD2 3.74Å; F45-L63 HydrophobicContact CD2-CB 4.19Å; F45-L63 HydrophobicContact CD2-CD1 3.84Å; F45-L63 HydrophobicContact CD2-CD2 4.27Å; F45-L63 HydrophobicContact CD2-CG 4.32Å; F45-L63 HydrophobicContact CE1-CB 4.34Å; F45-L63 HydrophobicContact CE1-CD2 4.35Å; F45-L63 HydrophobicContact CE2-CB 4.07Å; F45-L63 HydrophobicContact CE2-CD1 4.46Å; F45-L63 HydrophobicContact CG-CB 4.4Å; F45-L63 HydrophobicContact CG-CD1 4Å; F45-L63 HydrophobicContact CG-CD2 3.69Å; F45-L63 HydrophobicContact CG-CG 4.24Å; F45-L63 HydrophobicContact CZ-CB 4.14Å; I48-L63 HydrophobicContact CB-CD2 4.16Å; I48-L63 HydrophobicContact CD1-CD2 4.16Å; I48-L63 HydrophobicContact CG2-CD2 4.01Å; I49-L63 HydrophobicContact CD1-CD1 4.39Å; I49-L63 HydrophobicContact CG1-CD1 4.43Å; L63-I91 HydrophobicContact CB-CG1 4.11Å; L63-Y94 HydrophobicContact CD1-CD2 4.43Å; L63-L98 HydrophobicContact CB-CD1 4.15Å; L63-L98 HydrophobicContact CB-CD2 4.27Å; L63-L98 HydrophobicContact CD1-CD1 4.33Å; L63-L98 HydrophobicContact CD1-CD2 3.72Å; L63-L98 HydrophobicContact CG-CD1 4.33Å; L63-L98 HydrophobicContact CG-CD2 3.59Å; L63-V101 CarbonylContact O-C 3.49Å; L63-V101 WeakPolarHBondContact O-CA 3.49Å; L63-V101 WeakPolarHBondContact O-CG1 3.39Å; L63-G102 CarbonylContact C-O 3.31Å; L63-G102 WeakPolarHBondContact CA-O 3.31Å; L63-G102 PolarHBondContact N-O 3.24Å; L63-G102 PolarHBondContact O-N 3.01Å
64G98.6Very high94.9Very high0 Ų040.4 Ų40.40%022%0.222CC..  trans-172.9168.8-17700000110.6F45 G102 E103F45-G64 VanDerWaalsContact CE1-O 3.28Å; F45-G64 WeakPolarHBondContact CE1-O 3.35Å; F45-G64 VanDerWaalsContact CZ-O 3.31Å; F45-G64 WeakPolarHBondContact CZ-O 3.37Å; G64-G102 PolarHBondContact N-O 3.49Å; G64-E103 CarbonylContact C-O 3.32Å
65V98.8Very high94.4Very high1 Ų139.3 Ų39.31%0.00622%0.223CC..  trans-109.8116.2174.3179.70000108.4A79 D83 L84 A87 E103 Q129V65-A79 HydrophobicContact CG1-CB 4.44Å; V65-D83 HydrophobicContact CG1-CB 3.89Å; V65-L84 HydrophobicContact CG2-CD1 4.17Å; V65-A87 HydrophobicContact CG2-CB 3.49Å; V65-A87 VanDerWaalsContact CG2-CB 3.49Å; V65-E103 CarbonylContact C-O 3.46Å; V65-E103 VanDerWaalsContact C-O 3.25Å; V65-Q129 PolarHBondContact O-NE2 3.05Å
66H98.7Very high94.3Very high13 Ų1342.6 Ų42.66%0.0624%0.238CC..  trans-71.7146.3-179.3179.7-95.6000111.4E40 V68 Q69 A79 E103 H143E40-H66 HydrophobicContact CB-CB 3.95Å; E40-H66 HydrophobicContact CG-CB 4.29Å; E40-H66 WeakPolarHBondContact O-CB 3.03Å; E40-H66 PolarHBondContact O-N 3.46Å; H66-V68 PolarHBondContact ND1-N 3.47Å; H66-V68 PolarHBondContact ND1-O 3.4Å; H66-V68 PolarHBondContact O-N 2.96Å; H66-Q69 PolarHBondContact O-NE2 2.98Å; H66-A79 WeakPolarHBondContact O-CB 3.29Å; H66-E103 IonicContact CD2-OE1 3.32Å; H66-E103 PolarHBondContact CD2-OE1 2.93Å; H66-E103 IonicContact CD2-OE2 3.06Å; H66-E103 PolarHBondContact CD2-OE2 3.41Å; H66-E103 PolarHBondContact N-O 3.45Å; H66-E103 IonicContact NE2-OE1 3.5Å; H66-E103 PolarHBondContact NE2-OE1 3.44Å; H66-H143 AromaticContact CD2-ND1 3.96Å; H66-H143 AromaticContact NE2-CD2 3.94Å; H66-H143 AromaticContact NE2-CE1 3.47Å; H66-H143 PolarHBondContact NE2-CE1 3.34Å; H66-H143 AromaticContact NE2-CG 3.45Å; H66-H143 AromaticContact NE2-ND1 3.13Å; H66-H143 PolarHBondContact NE2-ND1 3.09Å; H66-H143 VanDerWaalsContact NE2-ND1 3.13Å; H66-H143 AromaticContact NE2-NE2 4Å
67P98.1Very high94.2Very high2 Ų241.9 Ų41.91%0.01322%0.222CC..SBendtrans-58.5-19.9-179.520.4-35.5000115.5A79 D107 Q122 H143P67-A79 WeakPolarHBondContact O-CB 3.48Å; P67-A79 PolarHBondContact O-N 2.94Å; P67-D107 HydrophobicContact CB-CB 4.14Å; P67-D107 HydrophobicContact CG-CB 3.99Å; P67-Q122 HydrophobicContact CB-CG 4.28Å; P67-Q122 PolarHBondContact O-NE2 2.69Å; P67-Q122 VanDerWaalsContact O-NE2 3.11Å; P67-H143 HydrophobicContact CG-CB 4.1Å
68V97.4Very high94.3Very high8 Ų840.3 Ų40.35%0.04821%0.205CC..EExtended strand (participates in β ladder)trans-115.5128.6175.6-1750000108.7H66 Q76 R77 D107 F112H66-V68 PolarHBondContact ND1-N 3.47Å; H66-V68 PolarHBondContact ND1-O 3.4Å; H66-V68 PolarHBondContact O-N 2.96Å; V68-Q76 HydrophobicContact CG1-CB 3.8Å; V68-Q76 HydrophobicContact CG1-CG 4.31Å; V68-R77 WeakPolarHBondContact CA-O 3.45Å; V68-D107 HydrophobicContact CG2-CB 3.79Å; V68-F112 HydrophobicContact CG1-CD1 3.82Å; V68-F112 HydrophobicContact CG1-CD2 4.23Å; V68-F112 HydrophobicContact CG1-CE1 3.93Å; V68-F112 HydrophobicContact CG1-CE2 4.32Å; V68-F112 HydrophobicContact CG1-CG 3.98Å; V68-F112 HydrophobicContact CG1-CZ 4.16Å; V68-F112 HydrophobicContact CG2-CB 4.19Å; V68-F112 HydrophobicContact CG2-CD2 3.52Å; V68-F112 HydrophobicContact CG2-CE2 3.97Å; V68-F112 HydrophobicContact CG2-CG 3.83Å
69Q97.3Very high94.3Very high12 Ų1239.9 Ų39.96%0.05620%0.203CC..EExtended strand (participates in β ladder)trans-115.9135.2-179-64.1-65.4-67.200110.4E40 H66 Q76 R77 A79 D83E40-Q69 PolarHBondContact O-NE2 2.86Å; H66-Q69 PolarHBondContact O-NE2 2.98Å; Q69-Q76 CarbonylContact O-C 3.58Å; Q69-Q76 WeakPolarHBondContact O-CA 3.46Å; Q69-R77 HydrophobicContact CB-CG 4.39Å; Q69-R77 PolarHBondContact N-O 3.02Å; Q69-R77 PolarHBondContact O-N 3.45Å; Q69-A79 HydrophobicContact CG-CB 3.97Å; Q69-D83 HydrophobicContact CG-CB 4.5Å
70E91.7Very high94.3Very high87 Ų8741 Ų4141%0.40721%0.211SC..EExtended strand (participates in β ladder)trans-76.7130.1173.2-167.3-176.7154.400110.4S72E70-S72 WeakPolarHBondContact CG-O 3.46Å
71V87.5Confident94.2Very high80 Ų8043.8 Ų43.849%0.48523%0.226SC..EExtended strand (participates in β ladder)trans-104.4-40.5172.3-175.90000109.9Q75 R77V71-Q75 HydrophobicContact CB-CB 4.41Å; V71-Q75 HydrophobicContact CB-CG 4.31Å; V71-Q75 PolarHBondContact N-O 3.15Å; V71-R77 HydrophobicContact CG2-CB 4.32Å; V71-R77 HydrophobicContact CG2-CG 3.66Å
72S86.3Confident94.2Very high35 Ų3551 Ų5125%0.24526%0.259CS..EExtended strand (participates in β ladder)trans-150.5170.3170.381.90000109.2E70 E74 Q75E70-S72 WeakPolarHBondContact CG-O 3.46Å; S72-E74 PolarHBondContact O-N 3Å; S72-E74 PolarHBondContact OG-N 3.2Å; S72-E74 PolarHBondContact OG-OE2 2.92Å; S72-Q75 PolarHBondContact N-O 3.07Å; S72-Q75 VanDerWaalsContact N-O 3.11Å; S72-Q75 CarbonylContact O-C 3.57Å; S72-Q75 PolarHBondContact O-N 3.44Å; S72-Q75 WeakPolarHBondContact OG-CB 3.5Å; S72-Q75 PolarHBondContact OG-N 3.32Å
73P80.1Confident94.2Very high102 Ų10252.2 Ų52.266%0.66227%0.266SS*.THydrogen-bonded Turntrans-55.4-27.1179.3-26.635.6000114.3
74E83Confident94.1Very high164 Ų16452.3 Ų52.377%0.76627%0.267SS*.THydrogen-bonded Turntrans-100.7-6.9179.7-52.175.4-163.400113.5S72S72-E74 PolarHBondContact O-N 3Å; S72-E74 PolarHBondContact OG-N 3.2Å; S72-E74 PolarHBondContact OG-OE2 2.92Å
75Q88Confident94.1Very high115 Ų11557 Ų5754%0.53729%0.292SS..EExtended strand (participates in β ladder)trans-133.1117.1-170.5-169.4175.70.400112.2V71 S72V71-Q75 HydrophobicContact CB-CB 4.41Å; V71-Q75 HydrophobicContact CB-CG 4.31Å; V71-Q75 PolarHBondContact N-O 3.15Å; S72-Q75 PolarHBondContact N-O 3.07Å; S72-Q75 VanDerWaalsContact N-O 3.11Å; S72-Q75 CarbonylContact O-C 3.57Å; S72-Q75 PolarHBondContact O-N 3.44Å; S72-Q75 WeakPolarHBondContact OG-CB 3.5Å; S72-Q75 PolarHBondContact OG-N 3.32Å
76Q93.7Very high93.9Very high93 Ų9360 Ų6044%0.43532%0.316SS..EExtended strand (participates in β ladder)trans-117.1153171.9-67.4178-45.800109.9V68 Q69 F112V68-Q76 HydrophobicContact CG1-CB 3.8Å; V68-Q76 HydrophobicContact CG1-CG 4.31Å; Q69-Q76 CarbonylContact O-C 3.58Å; Q69-Q76 WeakPolarHBondContact O-CA 3.46Å; Q76-F112 HydrophobicContact CB-CD1 4.07Å; Q76-F112 HydrophobicContact CB-CE1 3.8Å
77R94.8Very high93.9Very high89 Ų8959.3 Ų59.334%0.33631%0.313SS..EExtended strand (participates in β ladder)trans-138.3166.2176.665.8168.6173.9750.3111.8V68 Q69 V71 D83V68-R77 WeakPolarHBondContact CA-O 3.45Å; Q69-R77 HydrophobicContact CB-CG 4.39Å; Q69-R77 PolarHBondContact N-O 3.02Å; Q69-R77 PolarHBondContact O-N 3.45Å; V71-R77 HydrophobicContact CG2-CB 4.32Å; V71-R77 HydrophobicContact CG2-CG 3.66Å; R77-D83 IonicContact CZ-OD1 3.63Å; R77-D83 IonicContact CZ-OD2 3.46Å; R77-D83 IonicContact NH1-OD1 3.68Å; R77-D83 IonicContact NH1-OD2 2.73Å; R77-D83 PolarHBondContact NH1-OD2 3.1Å; R77-D83 IonicContact NH2-OD1 2.69Å; R77-D83 PolarHBondContact NH2-OD1 3.13Å; R77-D83 IonicContact NH2-OD2 3.28Å; R77-D83 PolarHBondContact NH2-OD2 3.4Å
78S96.9Very high93.9Very high10 Ų1061.1 Ų61.17%0.0732%0.322CS..EExtended strand (participates in β ladder)trans-62.1144.8167.2-166.50000111.6Q122S78-Q122 WeakPolarHBondContact OG-CG 3.42Å; S78-Q122 PolarHBondContact OG-NE2 2.9Å
79A97.3Very high93.9Very high2 Ų264.9 Ų64.92%0.01735%0.347CS..  trans-64.5150.9173.200000112V65 H66 P67 Q69 T121V65-A79 HydrophobicContact CG1-CB 4.44Å; H66-A79 WeakPolarHBondContact O-CB 3.29Å; P67-A79 WeakPolarHBondContact O-CB 3.48Å; P67-A79 PolarHBondContact O-N 2.94Å; Q69-A79 HydrophobicContact CG-CB 3.97Å; A79-T121 WeakPolarHBondContact O-CG2 3.35Å
80S97.2Very high94Very high26 Ų2666.5 Ų66.518%0.18236%0.356CS..  trans-126.5165.8179.972.90000111Q82 D83 L84S80-Q82 PolarHBondContact O-N 2.82Å; S80-Q82 PolarHBondContact OG-N 2.81Å; S80-D83 WeakPolarHBondContact CB-OD2 3.17Å; S80-D83 PolarHBondContact N-OD2 2.92Å; S80-D83 WeakPolarHBondContact O-CB 3.45Å; S80-D83 PolarHBondContact O-N 3.02Å; S80-D83 PolarHBondContact OG-N 3.42Å; S80-D83 PolarHBondContact OG-OD2 3.34Å; S80-L84 PolarHBondContact O-N 3.05Å
81L97.6Very high94.3Very high76 Ų7662.5 Ų62.540%0.39834%0.337SS..Hα-helixtrans-62.3-28.2173.3-69.7171.9000112.5D83 L84 D85 L124 V125L81-D83 VanDerWaalsContact C-N 3.32Å; L81-D83 PolarHBondContact O-N 3.27Å; L81-L84 PolarHBondContact O-N 3.5Å; L81-D85 VanDerWaalsContact O-CG 3.24Å; L81-D85 PolarHBondContact O-N 2.88Å; L81-L124 HydrophobicContact CD2-CB 4.37Å; L81-V125 HydrophobicContact CD2-CG2 4.08Å; L81-V125 HydrophobicContact CG-CG2 4.49Å
82Q97.5Very high94.8Very high155 Ų15563.4 Ų63.472%0.72434%0.336SS*.Hα-helixtrans-65.5-36.6177.4-65.7176.2-4.600112.2S80 L84 D85 A86S80-Q82 PolarHBondContact O-N 2.82Å; S80-Q82 PolarHBondContact OG-N 2.81Å; Q82-L84 VanDerWaalsContact C-N 3.28Å; Q82-L84 PolarHBondContact O-N 3.27Å; Q82-D85 PolarHBondContact O-N 3.46Å; Q82-A86 PolarHBondContact O-N 3.03Å; Q82-A86 VanDerWaalsContact O-N 3.13Å
83D98Very high95.4Very high27 Ų2768.8 Ų68.814%0.14436%0.355CS..Hα-helixtrans-62.6-41175.2-56.4-55000110.5V65 Q69 R77 S80 L81 A87V65-D83 HydrophobicContact CG1-CB 3.89Å; Q69-D83 HydrophobicContact CG-CB 4.5Å; R77-D83 IonicContact CZ-OD1 3.63Å; R77-D83 IonicContact CZ-OD2 3.46Å; R77-D83 IonicContact NH1-OD1 3.68Å; R77-D83 IonicContact NH1-OD2 2.73Å; R77-D83 PolarHBondContact NH1-OD2 3.1Å; R77-D83 IonicContact NH2-OD1 2.69Å; R77-D83 PolarHBondContact NH2-OD1 3.13Å; R77-D83 IonicContact NH2-OD2 3.28Å; R77-D83 PolarHBondContact NH2-OD2 3.4Å; S80-D83 WeakPolarHBondContact CB-OD2 3.17Å; S80-D83 PolarHBondContact N-OD2 2.92Å; S80-D83 WeakPolarHBondContact O-CB 3.45Å; S80-D83 PolarHBondContact O-N 3.02Å; S80-D83 PolarHBondContact OG-N 3.42Å; S80-D83 PolarHBondContact OG-OD2 3.34Å; L81-D83 VanDerWaalsContact C-N 3.32Å; L81-D83 PolarHBondContact O-N 3.27Å; D83-A87 PolarHBondContact O-N 3.12Å
84L97.9Very high96.2Very high1 Ų165.3 Ų65.31%0.00533%0.329CS..Hα-helixtrans-69.9-44.9176.8-177.758.8000112.3V65 S80 L81 Q82 A86 A87 L88 V125 R128 Q129V65-L84 HydrophobicContact CG2-CD1 4.17Å; S80-L84 PolarHBondContact O-N 3.05Å; L81-L84 PolarHBondContact O-N 3.5Å; Q82-L84 VanDerWaalsContact C-N 3.28Å; Q82-L84 PolarHBondContact O-N 3.27Å; L84-A86 PolarHBondContact O-N 3.02Å; L84-A87 WeakPolarHBondContact O-CA 3.41Å; L84-A87 WeakPolarHBondContact O-CB 3.42Å; L84-A87 PolarHBondContact O-N 2.95Å; L84-L88 HydrophobicContact CD1-CD2 4.07Å; L84-L88 HydrophobicContact CD1-CG 4.18Å; L84-L88 HydrophobicContact CG-CD1 4.42Å; L84-L88 HydrophobicContact CG-CD2 4.41Å; L84-L88 HydrophobicContact CG-CG 4.19Å; L84-L88 WeakPolarHBondContact O-CG 3.35Å; L84-L88 PolarHBondContact O-N 3.4Å; L84-V125 HydrophobicContact CD2-CG1 4.45Å; L84-R128 HydrophobicContact CD2-CB 3.56Å; L84-R128 HydrophobicContact CD2-CG 3.56Å; L84-Q129 HydrophobicContact CD1-CG 3.59Å; L84-Q129 HydrophobicContact CD2-CG 4.02Å; L84-Q129 HydrophobicContact CG-CG 4.48Å
85D97.6Very high96.9Very high99 Ų9960.8 Ų60.853%0.52931%0.307SS..Hα-helixtrans-57.9-36.5179.2-71.3-23.8000111.7L81 Q82 P89L81-D85 VanDerWaalsContact O-CG 3.24Å; L81-D85 PolarHBondContact O-N 2.88Å; Q82-D85 PolarHBondContact O-N 3.46Å; D85-P89 WeakPolarHBondContact O-CD 3.32Å
86A96.3Very high97.3Very high63 Ų6361.6 Ų61.652%0.52132%0.315SS..Hα-helixtrans-70-29.8173.800000113.4Q82 L84Q82-A86 PolarHBondContact O-N 3.03Å; Q82-A86 VanDerWaalsContact O-N 3.13Å; L84-A86 PolarHBondContact O-N 3.02Å
87A97.9Very high97.4Very high0 Ų061 Ų610%031%0.312CS..Hα-helixtrans-81.5-35.3-178.100000113.4A42 F45 V65 D83 L84 I90 I91A42-A87 HydrophobicContact CB-CB 4.08Å; F45-A87 HydrophobicContact CE2-CB 3.74Å; F45-A87 HydrophobicContact CZ-CB 3.95Å; V65-A87 HydrophobicContact CG2-CB 3.49Å; V65-A87 VanDerWaalsContact CG2-CB 3.49Å; D83-A87 PolarHBondContact O-N 3.12Å; L84-A87 WeakPolarHBondContact O-CA 3.41Å; L84-A87 WeakPolarHBondContact O-CB 3.42Å; L84-A87 PolarHBondContact O-N 2.95Å; A87-I90 PolarHBondContact O-N 3.34Å; A87-I91 HydrophobicContact CB-CD1 4.35Å; A87-I91 PolarHBondContact O-N 2.98Å; A87-I91 VanDerWaalsContact O-N 3.1Å
88L98.3Very high97.6Very high39 Ų3956.7 Ų56.720%0.20430%0.296CS..Hα-helixtrans-53.6-45.3-172.6-73173.1000114.5L84 I90 I91 E92 V132L84-L88 HydrophobicContact CD1-CD2 4.07Å; L84-L88 HydrophobicContact CD1-CG 4.18Å; L84-L88 HydrophobicContact CG-CD1 4.42Å; L84-L88 HydrophobicContact CG-CD2 4.41Å; L84-L88 HydrophobicContact CG-CG 4.19Å; L84-L88 WeakPolarHBondContact O-CG 3.35Å; L84-L88 PolarHBondContact O-N 3.4Å; L88-I90 PolarHBondContact O-N 3.35Å; L88-I91 PolarHBondContact O-N 3.01Å; L88-E92 PolarHBondContact O-N 3.21Å; L88-V132 HydrophobicContact CD2-CG2 3.63Å
89P98.2Very high97.6Very high88 Ų8856.5 Ų56.557%0.57129%0.294SS*.Hα-helixtrans-61.7-32.1179.5-23.934.9000113.3D85 K93D85-P89 WeakPolarHBondContact O-CD 3.32Å; P89-K93 WeakPolarHBondContact O-CB 3.42Å; P89-K93 PolarHBondContact O-N 2.87Å; P89-K93 VanDerWaalsContact O-N 3.07Å
90I98.1Very high97.7Very high46 Ų4656.4 Ų56.424%0.23629%0.293CS..Hα-helixtrans-78.6-39.5-179.1-52.5174.5000110.3F45 A87 L88 E92 K93 Y94F45-I90 HydrophobicContact CB-CG2 3.86Å; F45-I90 HydrophobicContact CD2-CB 3.9Å; F45-I90 HydrophobicContact CD2-CD1 4.45Å; F45-I90 HydrophobicContact CD2-CG2 3.73Å; F45-I90 HydrophobicContact CG-CG2 4.33Å; A87-I90 PolarHBondContact O-N 3.34Å; L88-I90 PolarHBondContact O-N 3.35Å; I90-E92 VanDerWaalsContact C-N 3.34Å; I90-K93 WeakPolarHBondContact O-CB 3.47Å; I90-K93 PolarHBondContact O-N 2.86Å; I90-Y94 HydrophobicContact CG2-CD2 3.74Å; I90-Y94 HydrophobicContact CG2-CE2 3.73Å; I90-Y94 VanDerWaalsContact O-CD2 3.3Å; I90-Y94 WeakPolarHBondContact O-CD2 3.49Å; I90-Y94 PolarHBondContact O-N 2.94Å
91I98.3Very high97.8Very high3 Ų355.1 Ų55.12%0.01528%0.284CS..Hα-helixtrans-58.6-48.9172.9-65.7169.6000109.8F45 L63 A87 L88 K93 Y94 K95 L98 V132 L136F45-I91 HydrophobicContact CD2-CG1 4.46Å; F45-I91 HydrophobicContact CE2-CD1 4.15Å; F45-I91 HydrophobicContact CE2-CG1 3.74Å; F45-I91 HydrophobicContact CZ-CG1 4.49Å; L63-I91 HydrophobicContact CB-CG1 4.11Å; A87-I91 HydrophobicContact CB-CD1 4.35Å; A87-I91 PolarHBondContact O-N 2.98Å; A87-I91 VanDerWaalsContact O-N 3.1Å; L88-I91 PolarHBondContact O-N 3.01Å; I91-K93 VanDerWaalsContact C-N 3.34Å; I91-K93 PolarHBondContact O-N 3.42Å; I91-Y94 CarbonylContact O-C 3.58Å; I91-Y94 PolarHBondContact O-N 3.36Å; I91-K95 PolarHBondContact O-N 2.98Å; I91-L98 HydrophobicContact CG2-CD1 4.02Å; I91-V132 HydrophobicContact CG2-CG1 4.04Å; I91-L136 HydrophobicContact CG2-CD1 4.1Å
92E97.8Very high97.7Very high99 Ų9951.5 Ų51.546%0.46327%0.266SS..Hα-helixtrans-61.4-41.8179-178.658.4-15800111.9L88 I90 Y94 K95L88-E92 PolarHBondContact O-N 3.21Å; I90-E92 VanDerWaalsContact C-N 3.34Å; E92-Y94 VanDerWaalsContact C-N 3.25Å; E92-Y94 PolarHBondContact O-N 3.27Å; E92-K95 WeakPolarHBondContact O-CG 3.44Å; E92-K95 PolarHBondContact O-N 3.4Å; E92-K95 WeakPolarHBondContact OE1-CE 3.42Å; E92-K95 IonicContact OE1-NZ 3.63Å; E92-K95 PolarHBondContact OE1-NZ 3.13Å
93K98.2Very high97.8Very high147 Ų14744.2 Ų44.264%0.63923%0.231SC*.Hα-helixtrans-57.8-36.5176.8-178.1-173.5178.4-164.90112.8P89 I90 I91P89-K93 WeakPolarHBondContact O-CB 3.42Å; P89-K93 PolarHBondContact O-N 2.87Å; P89-K93 VanDerWaalsContact O-N 3.07Å; I90-K93 WeakPolarHBondContact O-CB 3.47Å; I90-K93 PolarHBondContact O-N 2.86Å; I91-K93 VanDerWaalsContact C-N 3.34Å; I91-K93 PolarHBondContact O-N 3.42Å
94Y98Very high97.8Very high30 Ų3043 Ų4312%0.11823%0.225CC..Hα-helixtrans-1098.5-173.6-63.5-60000114.5I49 L63 I90 I91 E92 D96 Q97 L98I49-Y94 HydrophobicContact CD1-CD1 4.3Å; I49-Y94 HydrophobicContact CD1-CD2 4.27Å; I49-Y94 HydrophobicContact CD1-CG 3.9Å; I49-Y94 HydrophobicContact CG1-CD1 4.24Å; I49-Y94 HydrophobicContact CG1-CD2 3.8Å; I49-Y94 HydrophobicContact CG1-CE2 4.07Å; I49-Y94 HydrophobicContact CG1-CG 3.88Å; I49-Y94 HydrophobicContact CG2-CD1 4.09Å; I49-Y94 HydrophobicContact CG2-CE1 3.93Å; L63-Y94 HydrophobicContact CD1-CD2 4.43Å; I90-Y94 HydrophobicContact CG2-CD2 3.74Å; I90-Y94 HydrophobicContact CG2-CE2 3.73Å; I90-Y94 VanDerWaalsContact O-CD2 3.3Å; I90-Y94 WeakPolarHBondContact O-CD2 3.49Å; I90-Y94 PolarHBondContact O-N 2.94Å; I91-Y94 CarbonylContact O-C 3.58Å; I91-Y94 PolarHBondContact O-N 3.36Å; E92-Y94 VanDerWaalsContact C-N 3.25Å; E92-Y94 PolarHBondContact O-N 3.27Å; Y94-D96 PolarHBondContact O-N 3.47Å; Y94-Q97 WeakPolarHBondContact O-CB 3.43Å; Y94-Q97 PolarHBondContact O-N 3.49Å; Y94-L98 WeakPolarHBondContact O-CG 3.24Å; Y94-L98 PolarHBondContact O-N 2.93Å
95K97.3Very high97.9Very high69 Ų6943 Ų4330%0.323%0.226SC..THydrogen-bonded Turntrans-48.3-35.5-172.967.6-174.4178-175.30115.6I91 E92 Q97 L98 L136 K262I91-K95 PolarHBondContact O-N 2.98Å; E92-K95 WeakPolarHBondContact O-CG 3.44Å; E92-K95 PolarHBondContact O-N 3.4Å; E92-K95 WeakPolarHBondContact OE1-CE 3.42Å; E92-K95 IonicContact OE1-NZ 3.63Å; E92-K95 PolarHBondContact OE1-NZ 3.13Å; K95-Q97 VanDerWaalsContact C-N 3.31Å; K95-Q97 PolarHBondContact O-N 2.86Å; K95-L98 PolarHBondContact O-N 3.24Å; K95-L136 HydrophobicContact CB-CD1 4.02Å; K95-L136 HydrophobicContact CB-CD2 3.81Å; K95-L136 HydrophobicContact CD-CD2 3.87Å; K95-L136 HydrophobicContact CG-CD2 4.41Å; K95-K262 PolarHBondContact O-NZ 3.11Å; K95-K262 VanDerWaalsContact O-NZ 3.15Å
96D96.2Very high97.9Very high132 Ų13238.3 Ų38.371%0.70620%0.201SC*.THydrogen-bonded Turntrans-71.3-28.8-178.8-63.6-42.5000112.3Y94 K262Y94-D96 PolarHBondContact O-N 3.47Å; D96-K262 PolarHBondContact O-NZ 2.84Å; D96-K262 VanDerWaalsContact O-NZ 3.08Å
97Q96.7Very high98Very high79 Ų7935.4 Ų35.437%0.36918%0.176SC..THydrogen-bonded Turntrans-82.7-24179.8-60.9178.446.700112.8I49 P61 Y94 K95I49-Q97 HydrophobicContact CD1-CB 4.44Å; P61-Q97 HydrophobicContact CG-CB 4.47Å; P61-Q97 WeakPolarHBondContact CG-O 3.47Å; Y94-Q97 WeakPolarHBondContact O-CB 3.43Å; Y94-Q97 PolarHBondContact O-N 3.49Å; K95-Q97 VanDerWaalsContact C-N 3.31Å; K95-Q97 PolarHBondContact O-N 2.86Å
98L98.2Very high97.9Very high0 Ų036.9 Ų36.90%018%0.183CC..  trans-72141.3-174.7-53.4-172.2000112.2I49 P61 L63 I91 Y94 K95 L138 K262I49-L98 HydrophobicContact CD1-CD2 4.09Å; P61-L98 HydrophobicContact CB-CD2 4.22Å; P61-L98 HydrophobicContact CG-CD2 4.22Å; P61-L98 WeakPolarHBondContact O-CA 3.39Å; L63-L98 HydrophobicContact CB-CD1 4.15Å; L63-L98 HydrophobicContact CB-CD2 4.27Å; L63-L98 HydrophobicContact CD1-CD1 4.33Å; L63-L98 HydrophobicContact CD1-CD2 3.72Å; L63-L98 HydrophobicContact CG-CD1 4.33Å; L63-L98 HydrophobicContact CG-CD2 3.59Å; I91-L98 HydrophobicContact CG2-CD1 4.02Å; Y94-L98 WeakPolarHBondContact O-CG 3.24Å; Y94-L98 PolarHBondContact O-N 2.93Å; K95-L98 PolarHBondContact O-N 3.24Å; L98-L138 HydrophobicContact CB-CD1 3.74Å; L98-L138 HydrophobicContact CD1-CD1 4.49Å; L98-L138 WeakPolarHBondContact O-CD2 3.36Å; L98-K262 WeakPolarHBondContact O-CD 3.46Å; L98-K262 PolarHBondContact O-NZ 3.02Å
99V98.3Very high97.8Very high5 Ų536.6 Ų36.63%0.0318%0.183CC..SBendtrans-101.2-17.5172.2-600000113.7L36 F60 P61 P139 K262L36-V99 HydrophobicContact CD2-CG2 4.22Å; L36-V99 HydrophobicContact CG-CG2 4.1Å; F60-V99 HydrophobicContact CB-CB 4.43Å; F60-V99 HydrophobicContact CB-CG1 3.86Å; F60-V99 HydrophobicContact CB-CG2 3.72Å; F60-V99 HydrophobicContact CD1-CG1 3.7Å; F60-V99 HydrophobicContact CG-CG1 4.19Å; P61-V99 PolarHBondContact O-N 3.3Å; V99-P139 VanDerWaalsContact O-CD 3.29Å; V99-P139 WeakPolarHBondContact O-CD 3.43Å; V99-P139 WeakPolarHBondContact O-CG 3.43Å; V99-K262 HydrophobicContact CG1-CB 4.07Å
100A98.7Very high97.4Very high0 Ų037.7 Ų37.70%019%0.19CC..EExtended strand (participates in β ladder)trans-157.8164175.400000110.4C62 P139 F260C62-A100 WeakPolarHBondContact CA-O 3.45Å; C62-A100 HydrophobicContact CB-CB 4.22Å; A100-P139 WeakPolarHBondContact CA-O 3.41Å; A100-P139 HydrophobicContact CB-CG 3.94Å; A100-P139 WeakPolarHBondContact CB-O 3.46Å; A100-F260 HydrophobicContact CB-CD1 4.1Å; A100-F260 HydrophobicContact CB-CE1 3.81Å
101V98.8Very high97Very high0 Ų045.5 Ų45.50%022%0.216CC..EExtended strand (participates in β ladder)trans-94117.1161.9-179.10000107.4L63 V104 Q129 V132 A133 L138 P139 L140 N141L63-V101 CarbonylContact O-C 3.49Å; L63-V101 WeakPolarHBondContact O-CA 3.49Å; L63-V101 WeakPolarHBondContact O-CG1 3.39Å; V101-V104 HydrophobicContact CG1-CG1 3.89Å; V101-Q129 HydrophobicContact CG1-CB 4.39Å; V101-V132 HydrophobicContact CG2-CG1 4.48Å; V101-A133 HydrophobicContact CB-CB 4.09Å; V101-A133 HydrophobicContact CG2-CB 3.76Å; V101-L138 HydrophobicContact CG2-CB 4.27Å; V101-L138 HydrophobicContact CG2-CD1 4.26Å; V101-P139 PolarHBondContact N-O 2.87Å; V101-L140 HydrophobicContact CB-CD2 3.86Å; V101-L140 HydrophobicContact CG1-CD2 4.26Å; V101-L140 WeakPolarHBondContact O-CA 3.32Å; V101-N141 PolarHBondContact O-N 3.33Å
102G96.4Very high96.5Very high0 Ų046.4 Ų46.40%022%0.22CC..EExtended strand (participates in β ladder)trans178.9149-170.700000114.2A39 C62 L63 G64A39-G102 PolarHBondContact N-O 3.14Å; C62-G102 CarbonylContact C-O 3.58Å; L63-G102 CarbonylContact C-O 3.31Å; L63-G102 WeakPolarHBondContact CA-O 3.31Å; L63-G102 PolarHBondContact N-O 3.24Å; L63-G102 PolarHBondContact O-N 3.01Å; G64-G102 PolarHBondContact N-O 3.49Å
103E98.6Very high96.1Very high2 Ų242.1 Ų42.11%0.00920%0.201CC..EExtended strand (participates in β ladder)cis-84.41353.3-169.5-179167.700111.9H8 H10 V38 A39 G64 V65 H66 H143 H166H8-E103 IonicContact CE1-OE1 3.99Å; H8-E103 IonicContact CE1-OE2 3.44Å; H8-E103 IonicContact NE2-OE2 2.54Å; H10-E103 IonicContact CE1-OE2 2.73Å; H10-E103 PolarHBondContact CE1-OE2 3.42Å; H10-E103 IonicContact NE2-OE2 3.98Å; H10-E103 PolarHBondContact NE2-OE2 2.88Å; V38-E103 HydrophobicContact CB-CB 4.12Å; V38-E103 HydrophobicContact CG2-CB 4.38Å; A39-E103 WeakPolarHBondContact O-CB 3.07Å; A39-E103 PolarHBondContact O-N 3.14Å; G64-E103 CarbonylContact C-O 3.32Å; V65-E103 CarbonylContact C-O 3.46Å; V65-E103 VanDerWaalsContact C-O 3.25Å; H66-E103 IonicContact CD2-OE1 3.32Å; H66-E103 PolarHBondContact CD2-OE1 2.93Å; H66-E103 IonicContact CD2-OE2 3.06Å; H66-E103 PolarHBondContact CD2-OE2 3.41Å; H66-E103 PolarHBondContact N-O 3.45Å; H66-E103 IonicContact NE2-OE1 3.5Å; H66-E103 PolarHBondContact NE2-OE1 3.44Å; E103-H143 HydrophobicContact CG-CB 4.12Å; E103-H143 WeakPolarHBondContact OE1-CB 3.28Å; E103-H143 IonicContact OE1-CE1 3.28Å; E103-H143 IonicContact OE1-CG 3.08Å; E103-H143 VanDerWaalsContact OE1-CG 3.27Å; E103-H143 IonicContact OE1-ND1 3.45Å; E103-H143 PolarHBondContact OE1-ND1 2.82Å; E103-H166 IonicContact OE1-CD2 2.66Å; E103-H166 PolarHBondContact OE1-CD2 3.46Å; E103-H166 VanDerWaalsContact OE1-CD2 3.29Å; E103-H166 IonicContact OE1-CE1 2.7Å; E103-H166 IonicContact OE1-NE2 2.77Å; E103-H166 PolarHBondContact OE1-NE2 2.5Å
104V98.8Very high95.4Very high0 Ų040.4 Ų40.40%021%0.207CC..EExtended strand (participates in β ladder)trans-130.4160.3177-53.60000109.4V101 L126 Q129 L140 N141 V142 H143V101-V104 HydrophobicContact CG1-CG1 3.89Å; V104-L126 HydrophobicContact CB-CD1 4.05Å; V104-L126 HydrophobicContact CG2-CD1 3.68Å; V104-Q129 HydrophobicContact CB-CB 4.49Å; V104-Q129 HydrophobicContact CG1-CB 4.03Å; V104-Q129 HydrophobicContact CG1-CG 4.28Å; V104-L140 HydrophobicContact CG2-CB 4.39Å; V104-L140 HydrophobicContact CG2-CD1 4.44Å; V104-L140 HydrophobicContact CG2-CD2 4.04Å; V104-N141 PolarHBondContact N-O 3Å; V104-V142 HydrophobicContact CG2-CG2 4.26Å; V104-V142 CarbonylContact O-C 3.57Å; V104-V142 WeakPolarHBondContact O-CA 3.32Å; V104-H143 PolarHBondContact O-N 3.41Å
105G98.6Very high95Very high3 Ų340.4 Ų40.43%0.03122%0.216CC..EExtended strand (participates in β ladder)trans158.2-156.8174.500000115.4H143G105-H143 VanDerWaalsContact CA-O 3.24Å; G105-H143 WeakPolarHBondContact CA-O 3.34Å
106L98.6Very high94.8Very high0 Ų041.9 Ų41.90%022%0.224CC..  trans-128.5134.4174.9-55.6177.6000109.3F108 Q122 K123 L126 H143 S144 R145 A147 P150L106-F108 HydrophobicContact CB-CD1 4.42Å; L106-F108 HydrophobicContact CB-CE1 3.99Å; L106-F108 HydrophobicContact CB-CZ 4.32Å; L106-F108 HydrophobicContact CD1-CE1 4.34Å; L106-F108 HydrophobicContact CD1-CZ 3.9Å; L106-F108 HydrophobicContact CD2-CE1 4.29Å; L106-F108 HydrophobicContact CG-CE1 4.43Å; L106-F108 HydrophobicContact CG-CZ 4.48Å; L106-Q122 HydrophobicContact CD2-CB 3.69Å; L106-K123 HydrophobicContact CD1-CG 4.33Å; L106-K123 HydrophobicContact CD2-CG 4.09Å; L106-L126 HydrophobicContact CD1-CD2 4.41Å; L106-L126 HydrophobicContact CD2-CB 4.32Å; L106-L126 HydrophobicContact CD2-CD2 4.02Å; L106-L126 HydrophobicContact CG-CD2 3.8Å; L106-H143 PolarHBondContact N-O 3.48Å; L106-H143 VanDerWaalsContact N-O 3.16Å; L106-H143 PolarHBondContact O-CD2 3.21Å; L106-S144 CarbonylContact O-C 3.53Å; L106-S144 VanDerWaalsContact O-CA 3.31Å; L106-S144 WeakPolarHBondContact O-CA 3.34Å; L106-R145 PolarHBondContact O-N 3.19Å; L106-A147 HydrophobicContact CB-CB 3.62Å; L106-P150 HydrophobicContact CD1-CB 3.93Å
107D97.8Very high94.7Very high1 Ų140.1 Ų40.11%0.00522%0.222CC..  trans-127.6106.7168.6-171.4-23.6000108.7P67 V68 T109 V113 Q122 H143 R145P67-D107 HydrophobicContact CB-CB 4.14Å; P67-D107 HydrophobicContact CG-CB 3.99Å; V68-D107 HydrophobicContact CG2-CB 3.79Å; D107-T109 VanDerWaalsContact C-N 3.33Å; D107-T109 WeakPolarHBondContact OD1-CB 3.26Å; D107-T109 PolarHBondContact OD1-N 3.22Å; D107-T109 PolarHBondContact OD1-OG1 3.33Å; D107-V113 VanDerWaalsContact O-CG2 3.26Å; D107-V113 WeakPolarHBondContact O-CG2 3.27Å; D107-Q122 PolarHBondContact O-NE2 3.26Å; D107-Q122 VanDerWaalsContact O-NE2 3.11Å; D107-Q122 PolarHBondContact O-OE1 3.47Å; D107-H143 IonicContact OD2-NE2 3.36Å; D107-R145 WeakPolarHBondContact CA-O 3.5Å
108F96.6Very high94.6Very high32 Ų3239.3 Ų39.314%0.1422%0.219CC..  trans-9824.1-179.3-66.2-9000112.7L106 K119 R145 A147 P150L106-F108 HydrophobicContact CB-CD1 4.42Å; L106-F108 HydrophobicContact CB-CE1 3.99Å; L106-F108 HydrophobicContact CB-CZ 4.32Å; L106-F108 HydrophobicContact CD1-CE1 4.34Å; L106-F108 HydrophobicContact CD1-CZ 3.9Å; L106-F108 HydrophobicContact CD2-CE1 4.29Å; L106-F108 HydrophobicContact CG-CE1 4.43Å; L106-F108 HydrophobicContact CG-CZ 4.48Å; F108-K119 HydrophobicContact CD1-CB 4.38Å; F108-K119 HydrophobicContact CD1-CD 4.27Å; F108-K119 HydrophobicContact CD1-CG 3.83Å; F108-K119 HydrophobicContact CD2-CD 3.99Å; F108-K119 HydrophobicContact CD2-CG 4.44Å; F108-K119 HydrophobicContact CE1-CB 3.74Å; F108-K119 HydrophobicContact CE1-CD 4.2Å; F108-K119 HydrophobicContact CE1-CG 3.7Å; F108-K119 HydrophobicContact CE2-CD 3.91Å; F108-K119 HydrophobicContact CE2-CG 4.31Å; F108-K119 HydrophobicContact CG-CD 4.18Å; F108-K119 HydrophobicContact CG-CG 4.22Å; F108-K119 HydrophobicContact CZ-CB 3.82Å; F108-K119 HydrophobicContact CZ-CD 4.02Å; F108-K119 HydrophobicContact CZ-CG 3.95Å; F108-R145 PolarHBondContact N-O 2.95Å; F108-A147 HydrophobicContact CB-CB 4.23Å; F108-A147 HydrophobicContact CD1-CB 4.28Å; F108-A147 HydrophobicContact CD2-CB 3.79Å; F108-A147 HydrophobicContact CE2-CB 4.21Å; F108-A147 HydrophobicContact CG-CB 3.83Å; F108-P150 HydrophobicContact CD2-CG 4.21Å; F108-P150 HydrophobicContact CE2-CB 3.78Å; F108-P150 HydrophobicContact CE2-CG 3.74Å; F108-P150 HydrophobicContact CZ-CB 4.36Å
109T95.3Very high94.6Very high33 Ų3342.1 Ų42.120%0.20223%0.231CC..  trans-60.7128.3172.9-59.10000109.6D107 R111 F112 V113D107-T109 VanDerWaalsContact C-N 3.33Å; D107-T109 WeakPolarHBondContact OD1-CB 3.26Å; D107-T109 PolarHBondContact OD1-N 3.22Å; D107-T109 PolarHBondContact OD1-OG1 3.33Å; T109-R111 HydrophobicContact CG2-CB 4.22Å; T109-R111 PolarHBondContact O-N 2.85Å; T109-F112 HydrophobicContact CG2-CD2 4.35Å; T109-F112 HydrophobicContact CG2-CE2 4.36Å; T109-F112 PolarHBondContact O-N 3.23Å; T109-V113 PolarHBondContact O-N 3.45Å; T109-V113 VanDerWaalsContact O-N 3.14Å
110P90.9Very high94.5Very high111 Ų11145.7 Ų45.772%0.72125%0.247SC*.THydrogen-bonded Turntrans-57.4-18.3-175.3-28.835.5000115.7
111R89.8Confident94.5Very high209 Ų20947.7 Ų47.779%0.78926%0.26SS*.THydrogen-bonded Turntrans-68.1-35174.6178.4-179.7-78.8-179.2-5.2112.5T109T109-R111 HydrophobicContact CG2-CB 4.22Å; T109-R111 PolarHBondContact O-N 2.85Å
112F88.1Confident94.5Very high22 Ų2247.8 Ų47.810%0.09626%0.26CS..THydrogen-bonded Turntrans-103.3-24-174.2-50.1-51.3000112.5V68 Q76 T109V68-F112 HydrophobicContact CG1-CD1 3.82Å; V68-F112 HydrophobicContact CG1-CD2 4.23Å; V68-F112 HydrophobicContact CG1-CE1 3.93Å; V68-F112 HydrophobicContact CG1-CE2 4.32Å; V68-F112 HydrophobicContact CG1-CG 3.98Å; V68-F112 HydrophobicContact CG1-CZ 4.16Å; V68-F112 HydrophobicContact CG2-CB 4.19Å; V68-F112 HydrophobicContact CG2-CD2 3.52Å; V68-F112 HydrophobicContact CG2-CE2 3.97Å; V68-F112 HydrophobicContact CG2-CG 3.83Å; Q76-F112 HydrophobicContact CB-CD1 4.07Å; Q76-F112 HydrophobicContact CB-CE1 3.8Å; T109-F112 HydrophobicContact CG2-CD2 4.35Å; T109-F112 HydrophobicContact CG2-CE2 4.36Å; T109-F112 PolarHBondContact O-N 3.23Å
113V87.4Confident94.6Very high10 Ų1050 Ų506%0.06127%0.269CS..  trans-128109.6-177.3177.20000109.6D107 T109 G115 E118 K119D107-V113 VanDerWaalsContact O-CG2 3.26Å; D107-V113 WeakPolarHBondContact O-CG2 3.27Å; T109-V113 PolarHBondContact O-N 3.45Å; T109-V113 VanDerWaalsContact O-N 3.14Å; V113-G115 WeakPolarHBondContact CG1-O 3.44Å; V113-E118 HydrophobicContact CG1-CB 3.95Å; V113-E118 HydrophobicContact CG2-CB 4.49Å; V113-K119 HydrophobicContact CG1-CD 4.49Å; V113-K119 HydrophobicContact CG1-CG 3.46Å; V113-K119 VanDerWaalsContact CG1-CG 3.46Å
114S83.9Confident94.6Very high110 Ų11054.1 Ų54.177%0.76929%0.291SS*.  trans-94.7-17.5-176.668.10000113.6E118S114-E118 WeakPolarHBondContact CA-OE2 3.34Å; S114-E118 WeakPolarHBondContact CB-OE2 3.48Å; S114-E118 PolarHBondContact N-OE2 2.96Å; S114-E118 PolarHBondContact OG-OE2 3.29Å
115G90.2Very high94.6Very high30 Ų3054.3 Ų54.331%0.30929%0.292SS..SBendtrans-160.7176.4-178.100000115V113 S117 E118 K119V113-G115 WeakPolarHBondContact CG1-O 3.44Å; G115-S117 VanDerWaalsContact C-N 3.32Å; G115-S117 PolarHBondContact O-N 3.44Å; G115-E118 PolarHBondContact N-OE2 3.06Å; G115-E118 PolarHBondContact O-N 3.45Å; G115-K119 PolarHBondContact O-N 2.98Å
116E93.4Very high94.6Very high100 Ų10054.2 Ų54.247%0.46729%0.291SS..Hα-helixtrans-66.4-33-175.5-159.660-153.500112.6E118 K119 E120 K123E116-E118 VanDerWaalsContact C-N 3.29Å; E116-E118 PolarHBondContact O-N 2.96Å; E116-K119 WeakPolarHBondContact O-CB 3.39Å; E116-K119 PolarHBondContact O-N 3.26Å; E116-K119 VanDerWaalsContact O-N 3.15Å; E116-K119 WeakPolarHBondContact OE2-CD 3.1Å; E116-K119 IonicContact OE2-NZ 2.87Å; E116-K119 PolarHBondContact OE2-NZ 3.09Å; E116-E120 WeakPolarHBondContact O-CG 3.26Å; E116-E120 PolarHBondContact O-N 3.3Å; E116-K123 IonicContact OE1-NZ 3.7Å
117S94.3Very high94.6Very high96 Ų9656 Ų5667%0.67130%0.3SS*.Hα-helixtrans-57-40.9176.7-172.50000112.8G115 E120 T121G115-S117 VanDerWaalsContact C-N 3.32Å; G115-S117 PolarHBondContact O-N 3.44Å; S117-E120 PolarHBondContact O-N 2.97Å; S117-T121 PolarHBondContact O-N 3.14Å; S117-T121 PolarHBondContact O-OG1 3.29Å
118E94.1Very high94.7Very high62 Ų6260.7 Ų60.729%0.2932%0.318SS..Hα-helixtrans-72.9-34.8178.9-71.3173.5133.400111.8V113 S114 G115 E116 T121 Q122V113-E118 HydrophobicContact CG1-CB 3.95Å; V113-E118 HydrophobicContact CG2-CB 4.49Å; S114-E118 WeakPolarHBondContact CA-OE2 3.34Å; S114-E118 WeakPolarHBondContact CB-OE2 3.48Å; S114-E118 PolarHBondContact N-OE2 2.96Å; S114-E118 PolarHBondContact OG-OE2 3.29Å; G115-E118 PolarHBondContact N-OE2 3.06Å; G115-E118 PolarHBondContact O-N 3.45Å; E116-E118 VanDerWaalsContact C-N 3.29Å; E116-E118 PolarHBondContact O-N 2.96Å; E118-T121 PolarHBondContact O-N 3.21Å; E118-Q122 PolarHBondContact O-N 3Å
119K97.1Very high94.8Very high59 Ų5959.2 Ų59.226%0.25731%0.311SS..Hα-helixtrans-63.1-46171.2-63.3-173.9-160.9150.20111.5F108 V113 G115 E116 T121 Q122 K123F108-K119 HydrophobicContact CD1-CB 4.38Å; F108-K119 HydrophobicContact CD1-CD 4.27Å; F108-K119 HydrophobicContact CD1-CG 3.83Å; F108-K119 HydrophobicContact CD2-CD 3.99Å; F108-K119 HydrophobicContact CD2-CG 4.44Å; F108-K119 HydrophobicContact CE1-CB 3.74Å; F108-K119 HydrophobicContact CE1-CD 4.2Å; F108-K119 HydrophobicContact CE1-CG 3.7Å; F108-K119 HydrophobicContact CE2-CD 3.91Å; F108-K119 HydrophobicContact CE2-CG 4.31Å; F108-K119 HydrophobicContact CG-CD 4.18Å; F108-K119 HydrophobicContact CG-CG 4.22Å; F108-K119 HydrophobicContact CZ-CB 3.82Å; F108-K119 HydrophobicContact CZ-CD 4.02Å; F108-K119 HydrophobicContact CZ-CG 3.95Å; V113-K119 HydrophobicContact CG1-CD 4.49Å; V113-K119 HydrophobicContact CG1-CG 3.46Å; V113-K119 VanDerWaalsContact CG1-CG 3.46Å; G115-K119 PolarHBondContact O-N 2.98Å; E116-K119 WeakPolarHBondContact O-CB 3.39Å; E116-K119 PolarHBondContact O-N 3.26Å; E116-K119 VanDerWaalsContact O-N 3.15Å; E116-K119 WeakPolarHBondContact OE2-CD 3.1Å; E116-K119 IonicContact OE2-NZ 2.87Å; E116-K119 PolarHBondContact OE2-NZ 3.09Å; K119-T121 VanDerWaalsContact C-N 3.26Å; K119-T121 PolarHBondContact O-N 2.92Å; K119-Q122 PolarHBondContact O-N 3.31Å; K119-K123 WeakPolarHBondContact O-CG 3.42Å; K119-K123 PolarHBondContact O-N 3.28Å
120E97.8Very high94.9Very high80 Ų8057.8 Ų57.837%0.37430%0.303SS..Hα-helixtrans-61.2-39.1176.4-69.3-50.8132.200111.1E116 S117 K123 L124E116-E120 WeakPolarHBondContact O-CG 3.26Å; E116-E120 PolarHBondContact O-N 3.3Å; S117-E120 PolarHBondContact O-N 2.97Å; E120-K123 WeakPolarHBondContact O-CB 3.43Å; E120-K123 PolarHBondContact O-N 3.18Å; E120-K123 IonicContact OE1-NZ 3.82Å; E120-K123 PolarHBondContact OE1-NZ 3.07Å; E120-K123 IonicContact OE2-NZ 3.51Å; E120-L124 WeakPolarHBondContact O-CG 3.27Å; E120-L124 PolarHBondContact O-N 3.42Å
121T97.9Very high95.3Very high42 Ų4255.7 Ų55.726%0.25828%0.283SS..Hα-helixtrans-62-47.1174.7-56.50000111.7A79 S117 E118 K119 K123 L124 V125A79-T121 WeakPolarHBondContact O-CG2 3.35Å; S117-T121 PolarHBondContact O-N 3.14Å; S117-T121 PolarHBondContact O-OG1 3.29Å; E118-T121 PolarHBondContact O-N 3.21Å; K119-T121 VanDerWaalsContact C-N 3.26Å; K119-T121 PolarHBondContact O-N 2.92Å; T121-K123 VanDerWaalsContact C-N 3.31Å; T121-K123 PolarHBondContact O-N 3.2Å; T121-L124 PolarHBondContact O-N 3.34Å; T121-V125 WeakPolarHBondContact O-CG2 3.45Å; T121-V125 PolarHBondContact O-N 2.88Å
122Q98.3Very high95.7Very high1 Ų146.3 Ų46.31%0.00525%0.249CC..Hα-helixtrans-60.8-40175-72.1-171.70.800112.2P67 S78 L106 D107 E118 K119 L124 V125 L126P67-Q122 HydrophobicContact CB-CG 4.28Å; P67-Q122 PolarHBondContact O-NE2 2.69Å; P67-Q122 VanDerWaalsContact O-NE2 3.11Å; S78-Q122 WeakPolarHBondContact OG-CG 3.42Å; S78-Q122 PolarHBondContact OG-NE2 2.9Å; L106-Q122 HydrophobicContact CD2-CB 3.69Å; D107-Q122 PolarHBondContact O-NE2 3.26Å; D107-Q122 VanDerWaalsContact O-NE2 3.11Å; D107-Q122 PolarHBondContact O-OE1 3.47Å; E118-Q122 PolarHBondContact O-N 3Å; K119-Q122 PolarHBondContact O-N 3.31Å; Q122-L124 PolarHBondContact O-N 3.48Å; Q122-V125 PolarHBondContact O-N 3.32Å; Q122-L126 WeakPolarHBondContact O-CB 3.4Å; Q122-L126 PolarHBondContact O-N 3.26Å
123K98.6Very high96.2Very high47 Ų4745.5 Ų45.520%0.20425%0.246CC..Hα-helixtrans-60.2-45.2175-69.7173.6-167.3168.20111.2L106 E116 K119 E120 T121 L126 I127 L154L106-K123 HydrophobicContact CD1-CG 4.33Å; L106-K123 HydrophobicContact CD2-CG 4.09Å; E116-K123 IonicContact OE1-NZ 3.7Å; K119-K123 WeakPolarHBondContact O-CG 3.42Å; K119-K123 PolarHBondContact O-N 3.28Å; E120-K123 WeakPolarHBondContact O-CB 3.43Å; E120-K123 PolarHBondContact O-N 3.18Å; E120-K123 IonicContact OE1-NZ 3.82Å; E120-K123 PolarHBondContact OE1-NZ 3.07Å; E120-K123 IonicContact OE2-NZ 3.51Å; T121-K123 VanDerWaalsContact C-N 3.31Å; T121-K123 PolarHBondContact O-N 3.2Å; K123-L126 PolarHBondContact O-N 3.19Å; K123-I127 WeakPolarHBondContact O-CB 3.48Å; K123-I127 WeakPolarHBondContact O-CD1 3.4Å; K123-I127 WeakPolarHBondContact O-CG1 3.2Å; K123-I127 PolarHBondContact O-N 3.47Å; K123-L154 HydrophobicContact CB-CD2 4.2Å; K123-L154 HydrophobicContact CG-CD2 4.27Å
124L98.7Very high96.7Very high88 Ų8850.3 Ų50.346%0.46127%0.266SS..Hα-helixtrans-62.2-42.8177.4-70172.4000112.1L81 E120 T121 Q122 I127 R128L81-L124 HydrophobicContact CD2-CB 4.37Å; E120-L124 WeakPolarHBondContact O-CG 3.27Å; E120-L124 PolarHBondContact O-N 3.42Å; T121-L124 PolarHBondContact O-N 3.34Å; Q122-L124 PolarHBondContact O-N 3.48Å; L124-I127 PolarHBondContact O-N 3.26Å; L124-R128 PolarHBondContact O-N 3.1Å
125V98.8Very high97.3Very high4 Ų451.5 Ų51.52%0.02426%0.26CS..Hα-helixtrans-59.8-47.7174.4171.20000110.7L81 L84 T121 Q122 R128 Q129L81-V125 HydrophobicContact CD2-CG2 4.08Å; L81-V125 HydrophobicContact CG-CG2 4.49Å; L84-V125 HydrophobicContact CD2-CG1 4.45Å; T121-V125 WeakPolarHBondContact O-CG2 3.45Å; T121-V125 PolarHBondContact O-N 2.88Å; Q122-V125 PolarHBondContact O-N 3.32Å; V125-R128 PolarHBondContact O-N 2.67Å; V125-Q129 WeakPolarHBondContact O-CG 3.29Å; V125-Q129 PolarHBondContact O-N 3.36Å
126L98.9Very high97.7Very high2 Ų251.9 Ų51.91%0.0125%0.254CS..Hα-helixtrans-65.5-41.5178177.955.8000112.5V104 L106 Q122 K123 R128 Q129 A130 T151 L154V104-L126 HydrophobicContact CB-CD1 4.05Å; V104-L126 HydrophobicContact CG2-CD1 3.68Å; L106-L126 HydrophobicContact CD1-CD2 4.41Å; L106-L126 HydrophobicContact CD2-CB 4.32Å; L106-L126 HydrophobicContact CD2-CD2 4.02Å; L106-L126 HydrophobicContact CG-CD2 3.8Å; Q122-L126 WeakPolarHBondContact O-CB 3.4Å; Q122-L126 PolarHBondContact O-N 3.26Å; K123-L126 PolarHBondContact O-N 3.19Å; L126-R128 VanDerWaalsContact C-N 3.3Å; L126-R128 PolarHBondContact O-N 2.86Å; L126-Q129 PolarHBondContact O-N 3.26Å; L126-A130 WeakPolarHBondContact O-CB 3.38Å; L126-A130 PolarHBondContact O-N 3.5Å; L126-T151 HydrophobicContact CD2-CG2 4.41Å; L126-L154 HydrophobicContact CB-CD2 4.25Å; L126-L154 HydrophobicContact CD2-CD2 3.75Å; L126-L154 HydrophobicContact CG-CD2 4.03Å
127I98.9Very high97.9Very high36 Ų3652.7 Ų52.719%0.18526%0.262CS..Hα-helixtrans-56.7-47.4175.1-73.4162.4000110K123 L124 Q129 A130 Q131 L154 Q158K123-I127 WeakPolarHBondContact O-CB 3.48Å; K123-I127 WeakPolarHBondContact O-CD1 3.4Å; K123-I127 WeakPolarHBondContact O-CG1 3.2Å; K123-I127 PolarHBondContact O-N 3.47Å; L124-I127 PolarHBondContact O-N 3.26Å; I127-Q129 PolarHBondContact O-N 2.98Å; I127-A130 WeakPolarHBondContact O-CB 3.49Å; I127-A130 PolarHBondContact O-N 3.29Å; I127-Q131 WeakPolarHBondContact O-CG 3.45Å; I127-Q131 PolarHBondContact O-N 3.01Å; I127-L154 HydrophobicContact CD1-CD1 3.97Å; I127-L154 HydrophobicContact CG1-CD1 3.85Å; I127-L154 HydrophobicContact CG1-CD2 4.15Å; I127-L154 HydrophobicContact CG1-CG 4.25Å; I127-Q158 HydrophobicContact CG1-CG 4.07Å
128R98.7Very high98Very high100 Ų10048.8 Ų48.838%0.37723%0.234SC..Hα-helixtrans-66.6-38.4-178.5-170.662.6176.9144.87.2111.8L84 L124 V125 L126 Q131 V132L84-R128 HydrophobicContact CD2-CB 3.56Å; L84-R128 HydrophobicContact CD2-CG 3.56Å; L124-R128 PolarHBondContact O-N 3.1Å; V125-R128 PolarHBondContact O-N 2.67Å; L126-R128 VanDerWaalsContact C-N 3.3Å; L126-R128 PolarHBondContact O-N 2.86Å; R128-Q131 WeakPolarHBondContact O-CB 3.29Å; R128-Q131 PolarHBondContact O-N 3.39Å; R128-V132 WeakPolarHBondContact O-CG2 3.36Å; R128-V132 PolarHBondContact O-N 3.01Å
129Q98.8Very high98.3Very high2 Ų246 Ų461%0.00922%0.221CC..Hα-helixtrans-69.3-33.1174.4-68.3-171.297.500113.1V65 L84 V101 V104 V125 L126 I127 Q131 V132 A133V65-Q129 PolarHBondContact O-NE2 3.05Å; L84-Q129 HydrophobicContact CD1-CG 3.59Å; L84-Q129 HydrophobicContact CD2-CG 4.02Å; L84-Q129 HydrophobicContact CG-CG 4.48Å; V101-Q129 HydrophobicContact CG1-CB 4.39Å; V104-Q129 HydrophobicContact CB-CB 4.49Å; V104-Q129 HydrophobicContact CG1-CB 4.03Å; V104-Q129 HydrophobicContact CG1-CG 4.28Å; V125-Q129 WeakPolarHBondContact O-CG 3.29Å; V125-Q129 PolarHBondContact O-N 3.36Å; L126-Q129 PolarHBondContact O-N 3.26Å; I127-Q129 PolarHBondContact O-N 2.98Å; Q129-Q131 VanDerWaalsContact C-N 3.31Å; Q129-Q131 PolarHBondContact O-N 3.44Å; Q129-V132 PolarHBondContact O-N 3.14Å; Q129-A133 WeakPolarHBondContact O-CB 3.5Å; Q129-A133 PolarHBondContact O-N 3.41Å
130A98.8Very high98.3Very high2 Ų243.2 Ų43.22%0.01721%0.209CC..Hα-helixtrans-64.8-35.9171.600000112L126 I127 K134 L140 Q158 V160L126-A130 WeakPolarHBondContact O-CB 3.38Å; L126-A130 PolarHBondContact O-N 3.5Å; I127-A130 WeakPolarHBondContact O-CB 3.49Å; I127-A130 PolarHBondContact O-N 3.29Å; A130-K134 WeakPolarHBondContact O-CG 3.41Å; A130-K134 PolarHBondContact O-N 2.97Å; A130-K134 VanDerWaalsContact O-N 3.1Å; A130-L140 HydrophobicContact CB-CD1 4.08Å; A130-Q158 HydrophobicContact CB-CB 4.4Å; A130-V160 HydrophobicContact CB-CG2 3.99Å
131Q98.5Very high98.4Very high68 Ų6839.4 Ų39.432%0.31819%0.191SC..Hα-helixtrans-65.2-46.4172.5-68.4168.7-1.500111.5I127 R128 Q129 A133 K134 E135I127-Q131 WeakPolarHBondContact O-CG 3.45Å; I127-Q131 PolarHBondContact O-N 3.01Å; R128-Q131 WeakPolarHBondContact O-CB 3.29Å; R128-Q131 PolarHBondContact O-N 3.39Å; Q129-Q131 VanDerWaalsContact C-N 3.31Å; Q129-Q131 PolarHBondContact O-N 3.44Å; Q131-A133 VanDerWaalsContact C-N 3.32Å; Q131-A133 PolarHBondContact O-N 2.9Å; Q131-K134 WeakPolarHBondContact O-CB 3.4Å; Q131-K134 PolarHBondContact O-N 3.24Å; Q131-K134 VanDerWaalsContact O-N 3.13Å; Q131-E135 WeakPolarHBondContact O-CG 3.33Å; Q131-E135 PolarHBondContact O-N 3.27Å
132V98.3Very high98.4Very high12 Ų1237.4 Ų37.47%0.07318%0.179CC..Hα-helixtrans-57.4-46.1175.2172.50000110.9L88 I91 V101 R128 Q129 K134 E135 L136L88-V132 HydrophobicContact CD2-CG2 3.63Å; I91-V132 HydrophobicContact CG2-CG1 4.04Å; V101-V132 HydrophobicContact CG2-CG1 4.48Å; R128-V132 WeakPolarHBondContact O-CG2 3.36Å; R128-V132 PolarHBondContact O-N 3.01Å; Q129-V132 PolarHBondContact O-N 3.14Å; V132-K134 VanDerWaalsContact C-N 3.27Å; V132-K134 PolarHBondContact O-N 2.97Å; V132-E135 PolarHBondContact O-N 3.3Å; V132-L136 HydrophobicContact CG1-CD1 3.88Å; V132-L136 HydrophobicContact CG1-CG 4.35Å; V132-L136 WeakPolarHBondContact O-CB 3.43Å; V132-L136 VanDerWaalsContact O-CG 3.31Å; V132-L136 WeakPolarHBondContact O-CG 3.33Å; V132-L136 PolarHBondContact O-N 3.03Å
133A98.4Very high98.5Very high4 Ų437.7 Ų37.73%0.03318%0.18CC..Hα-helixtrans-60-38.2178.200000112.4V101 Q129 Q131 L136 D137 L138 L140V101-A133 HydrophobicContact CB-CB 4.09Å; V101-A133 HydrophobicContact CG2-CB 3.76Å; Q129-A133 WeakPolarHBondContact O-CB 3.5Å; Q129-A133 PolarHBondContact O-N 3.41Å; Q131-A133 VanDerWaalsContact C-N 3.32Å; Q131-A133 PolarHBondContact O-N 2.9Å; A133-L136 PolarHBondContact O-N 3.39Å; A133-D137 PolarHBondContact O-N 3.4Å; A133-L138 WeakPolarHBondContact CB-O 3.3Å; A133-L138 PolarHBondContact O-N 3.31Å; A133-L140 HydrophobicContact CB-CD2 3.36Å; A133-L140 HydrophobicContact CB-CG 4.09Å
134K98.1Very high98.4Very high111 Ų11135.6 Ų35.648%0.48317%0.171SC..Hα-helixtrans-66.6-44.9174-74.9177.3165.5-147.60113.1A130 Q131 V132 L136 D137 Q158 G159A130-K134 WeakPolarHBondContact O-CG 3.41Å; A130-K134 PolarHBondContact O-N 2.97Å; A130-K134 VanDerWaalsContact O-N 3.1Å; Q131-K134 WeakPolarHBondContact O-CB 3.4Å; Q131-K134 PolarHBondContact O-N 3.24Å; Q131-K134 VanDerWaalsContact O-N 3.13Å; V132-K134 VanDerWaalsContact C-N 3.27Å; V132-K134 PolarHBondContact O-N 2.97Å; K134-L136 PolarHBondContact O-N 3.26Å; K134-D137 PolarHBondContact O-N 2.67Å; K134-Q158 WeakPolarHBondContact CE-O 3.25Å; K134-Q158 PolarHBondContact NZ-O 2.8Å; K134-G159 WeakPolarHBondContact CE-O 3.41Å; K134-G159 PolarHBondContact NZ-O 2.94Å
135E97.7Very high98.3Very high136 Ų13636.4 Ų36.464%0.63617%0.168SC*.Hα-helixtrans-60.1-32.6177.3-71.6169.3-168.700111.5Q131 V132Q131-E135 WeakPolarHBondContact O-CG 3.33Å; Q131-E135 PolarHBondContact O-N 3.27Å; V132-E135 PolarHBondContact O-N 3.3Å
136L97.3Very high98.2Very high37 Ų3739.6 Ų39.619%0.19419%0.191CC..THydrogen-bonded Turntrans-93.4-2.3179.6-59.3-176.6000114.8I91 K95 V132 A133 K134 L138I91-L136 HydrophobicContact CG2-CD1 4.1Å; K95-L136 HydrophobicContact CB-CD1 4.02Å; K95-L136 HydrophobicContact CB-CD2 3.81Å; K95-L136 HydrophobicContact CD-CD2 3.87Å; K95-L136 HydrophobicContact CG-CD2 4.41Å; V132-L136 HydrophobicContact CG1-CD1 3.88Å; V132-L136 HydrophobicContact CG1-CG 4.35Å; V132-L136 WeakPolarHBondContact O-CB 3.43Å; V132-L136 VanDerWaalsContact O-CG 3.31Å; V132-L136 WeakPolarHBondContact O-CG 3.33Å; V132-L136 PolarHBondContact O-N 3.03Å; A133-L136 PolarHBondContact O-N 3.39Å; K134-L136 PolarHBondContact O-N 3.26Å; L136-L138 HydrophobicContact CB-CB 4.39Å; L136-L138 HydrophobicContact CB-CD1 3.86Å; L136-L138 HydrophobicContact CB-CG 3.85Å; L136-L138 HydrophobicContact CD1-CD1 4.03Å; L136-L138 PolarHBondContact O-N 2.91Å
137D97.2Very high98.1Very high118 Ų11839.6 Ų39.663%0.63119%0.191SC*.THydrogen-bonded Turntrans46.946-167.8-174.130.1000112.9A133 K134 K162A133-D137 PolarHBondContact O-N 3.4Å; K134-D137 PolarHBondContact O-N 2.67Å; D137-K162 IonicContact OD1-NZ 3.73Å; D137-K162 PolarHBondContact OD1-NZ 2.81Å
138L98.1Very high98Very high13 Ų1338.2 Ų38.27%0.06819%0.186CC..  trans-109.4144.8177.7-67.8179.6000111.5L98 V101 A133 L136 K262L98-L138 HydrophobicContact CB-CD1 3.74Å; L98-L138 HydrophobicContact CD1-CD1 4.49Å; L98-L138 WeakPolarHBondContact O-CD2 3.36Å; V101-L138 HydrophobicContact CG2-CB 4.27Å; V101-L138 HydrophobicContact CG2-CD1 4.26Å; A133-L138 WeakPolarHBondContact CB-O 3.3Å; A133-L138 PolarHBondContact O-N 3.31Å; L136-L138 HydrophobicContact CB-CB 4.39Å; L136-L138 HydrophobicContact CB-CD1 3.86Å; L136-L138 HydrophobicContact CB-CG 3.85Å; L136-L138 HydrophobicContact CD1-CD1 4.03Å; L136-L138 PolarHBondContact O-N 2.91Å; L138-K262 HydrophobicContact CD2-CD 3.97Å
139P98.6Very high98Very high3 Ų341.3 Ų41.32%0.01920%0.197CC..  trans-69.8162.9169.531.1-35.1000111.6V99 A100 V101 K162 L259 F260V99-P139 VanDerWaalsContact O-CD 3.29Å; V99-P139 WeakPolarHBondContact O-CD 3.43Å; V99-P139 WeakPolarHBondContact O-CG 3.43Å; A100-P139 WeakPolarHBondContact CA-O 3.41Å; A100-P139 HydrophobicContact CB-CG 3.94Å; A100-P139 WeakPolarHBondContact CB-O 3.46Å; V101-P139 PolarHBondContact N-O 2.87Å; P139-K162 VanDerWaalsContact CA-O 3.32Å; P139-K162 WeakPolarHBondContact CA-O 3.49Å; P139-K162 HydrophobicContact CB-CB 3.72Å; P139-L259 HydrophobicContact CB-CD1 4.15Å; P139-F260 HydrophobicContact CB-CD1 4.23Å; P139-F260 HydrophobicContact CB-CE1 4.24Å; P139-F260 HydrophobicContact CG-CD1 3.37Å; P139-F260 HydrophobicContact CG-CE1 3.75Å; P139-F260 HydrophobicContact CG-CG 4.4Å
140L98.9Very high98Very high1 Ų143.6 Ų43.61%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-98.1139.1170.8-65.3-176.6000112V101 V104 A130 A133 V142 L155 V160 K162 A163 L164V101-L140 HydrophobicContact CB-CD2 3.86Å; V101-L140 HydrophobicContact CG1-CD2 4.26Å; V101-L140 WeakPolarHBondContact O-CA 3.32Å; V104-L140 HydrophobicContact CG2-CB 4.39Å; V104-L140 HydrophobicContact CG2-CD1 4.44Å; V104-L140 HydrophobicContact CG2-CD2 4.04Å; A130-L140 HydrophobicContact CB-CD1 4.08Å; A133-L140 HydrophobicContact CB-CD2 3.36Å; A133-L140 HydrophobicContact CB-CG 4.09Å; L140-V142 HydrophobicContact CB-CG2 3.47Å; L140-V142 VanDerWaalsContact CB-CG2 3.47Å; L140-V142 HydrophobicContact CD1-CG2 4.43Å; L140-L155 HydrophobicContact CD1-CD2 3.64Å; L140-V160 HydrophobicContact CD1-CG1 4.02Å; L140-V160 HydrophobicContact CD1-CG2 3.97Å; L140-V160 HydrophobicContact CG-CG1 4.35Å; L140-K162 PolarHBondContact N-O 2.87Å; L140-A163 HydrophobicContact CB-CB 4.48Å; L140-A163 WeakPolarHBondContact O-CA 3.44Å; L140-L164 PolarHBondContact O-N 3.37Å
141N98.9Very high98Very high0 Ų043.5 Ų43.50%021%0.211CC..EExtended strand (participates in β ladder)trans-107.5112.5166.2-159.3-27.2000109.1C7 H8 V38 V101 V104C7-N141 PolarHBondContact O-ND2 3.44Å; H8-N141 PolarHBondContact ND1-OD1 3.35Å; V38-N141 HydrophobicContact CG1-CB 4.2Å; V38-N141 WeakPolarHBondContact CG1-ND2 3.34Å; V101-N141 PolarHBondContact O-N 3.33Å; V104-N141 PolarHBondContact N-O 3Å
142V98.9Very high98Very high0 Ų040.3 Ų40.30%020%0.197CC..EExtended strand (participates in β ladder)trans-121.6122.4-151.7-170.90000114.3V104 L140 T151 L155 A163 L164 L165 H166V104-V142 HydrophobicContact CG2-CG2 4.26Å; V104-V142 CarbonylContact O-C 3.57Å; V104-V142 WeakPolarHBondContact O-CA 3.32Å; L140-V142 HydrophobicContact CB-CG2 3.47Å; L140-V142 VanDerWaalsContact CB-CG2 3.47Å; L140-V142 HydrophobicContact CD1-CG2 4.43Å; V142-T151 HydrophobicContact CG1-CG2 3.49Å; V142-T151 VanDerWaalsContact CG1-CG2 3.49Å; V142-L155 HydrophobicContact CG1-CD1 4.36Å; V142-L155 HydrophobicContact CG2-CD1 4.33Å; V142-A163 HydrophobicContact CG2-CB 4.3Å; V142-L164 WeakPolarHBondContact CA-O 3.36Å; V142-L164 VanDerWaalsContact CB-O 3.26Å; V142-L164 WeakPolarHBondContact CB-O 3.39Å; V142-L164 PolarHBondContact N-O 3.41Å; V142-L165 HydrophobicContact CB-CD2 4.18Å; V142-L165 HydrophobicContact CG1-CD2 4.09Å; V142-H166 PolarHBondContact O-CD2 3.26Å; V142-H166 PolarHBondContact O-N 2.95Å
143H98.8Very high98Very high8 Ų844.7 Ų44.74%0.03722%0.216CC..EExtended strand (participates in β ladder)trans-76.6140.9166-161.788.9000112.5H66 P67 E103 V104 G105 L106 D107 R145 H166H66-H143 AromaticContact CD2-ND1 3.96Å; H66-H143 AromaticContact NE2-CD2 3.94Å; H66-H143 AromaticContact NE2-CE1 3.47Å; H66-H143 PolarHBondContact NE2-CE1 3.34Å; H66-H143 AromaticContact NE2-CG 3.45Å; H66-H143 AromaticContact NE2-ND1 3.13Å; H66-H143 PolarHBondContact NE2-ND1 3.09Å; H66-H143 VanDerWaalsContact NE2-ND1 3.13Å; H66-H143 AromaticContact NE2-NE2 4Å; P67-H143 HydrophobicContact CG-CB 4.1Å; E103-H143 HydrophobicContact CG-CB 4.12Å; E103-H143 WeakPolarHBondContact OE1-CB 3.28Å; E103-H143 IonicContact OE1-CE1 3.28Å; E103-H143 IonicContact OE1-CG 3.08Å; E103-H143 VanDerWaalsContact OE1-CG 3.27Å; E103-H143 IonicContact OE1-ND1 3.45Å; E103-H143 PolarHBondContact OE1-ND1 2.82Å; V104-H143 PolarHBondContact O-N 3.41Å; G105-H143 VanDerWaalsContact CA-O 3.24Å; G105-H143 WeakPolarHBondContact CA-O 3.34Å; L106-H143 PolarHBondContact N-O 3.48Å; L106-H143 VanDerWaalsContact N-O 3.16Å; L106-H143 PolarHBondContact O-CD2 3.21Å; D107-H143 IonicContact OD2-NE2 3.36Å; H143-R145 PolarHBondContact CD2-N 2.85Å; H143-R145 WeakPolarHBondContact NE2-CB 3.49Å; H143-H166 AromaticContact ND1-NE2 3.29Å; H143-H166 PolarHBondContact ND1-NE2 3.04Å
144S98.2Very high98Very high3 Ų345.1 Ų45.12%0.02122%0.218CC..  trans-150.325.8179.1640000116.1L106 S146 A147 G148 F168L106-S144 CarbonylContact O-C 3.53Å; L106-S144 VanDerWaalsContact O-CA 3.31Å; L106-S144 WeakPolarHBondContact O-CA 3.34Å; S144-S146 PolarHBondContact O-N 3.29Å; S144-A147 CarbonylContact O-C 3.52Å; S144-A147 WeakPolarHBondContact O-CA 3.13Å; S144-A147 PolarHBondContact O-N 3.19Å; S144-G148 PolarHBondContact O-N 3.39Å; S144-F168 WeakPolarHBondContact OG-CD2 3.43Å
145R96.4Very high98Very high104 Ų10440 Ų4039%0.39220%0.195SC..THydrogen-bonded Turntrans-58.4129.7-177.4-175.3178.8-68.4164.11.9112.1L106 D107 F108 H143 A147L106-R145 PolarHBondContact O-N 3.19Å; D107-R145 WeakPolarHBondContact CA-O 3.5Å; F108-R145 PolarHBondContact N-O 2.95Å; H143-R145 PolarHBondContact CD2-N 2.85Å; H143-R145 WeakPolarHBondContact NE2-CB 3.49Å; R145-A147 PolarHBondContact O-N 3Å
146S95.3Very high98Very high72 Ų7238.3 Ų38.350%0.50319%0.186SC..THydrogen-bonded Turntrans54.311.9-173.8-56.90000114.8S144S144-S146 PolarHBondContact O-N 3.29Å
147A97.2Very high98.1Very high1 Ų142.1 Ų42.11%0.00820%0.203CC..THydrogen-bonded Turntrans-139.613.7-170.100000113.3L106 F108 S144 R145 R149 P150 T151L106-A147 HydrophobicContact CB-CB 3.62Å; F108-A147 HydrophobicContact CB-CB 4.23Å; F108-A147 HydrophobicContact CD1-CB 4.28Å; F108-A147 HydrophobicContact CD2-CB 3.79Å; F108-A147 HydrophobicContact CE2-CB 4.21Å; F108-A147 HydrophobicContact CG-CB 3.83Å; S144-A147 CarbonylContact O-C 3.52Å; S144-A147 WeakPolarHBondContact O-CA 3.13Å; S144-A147 PolarHBondContact O-N 3.19Å; R145-A147 PolarHBondContact O-N 3Å; A147-R149 PolarHBondContact O-N 2.98Å; A147-P150 WeakPolarHBondContact O-CB 3.38Å; A147-P150 WeakPolarHBondContact O-CD 3.33Å; A147-T151 WeakPolarHBondContact O-CB 3.41Å; A147-T151 PolarHBondContact O-N 2.7Å; A147-T151 PolarHBondContact O-OG1 2.8Å
148G97.5Very high98.1Very high7 Ų739.1 Ų39.17%0.07219%0.185CC..Hα-helixtrans-49.5-46.3-175.500000115.9S144 I152 F168S144-G148 PolarHBondContact O-N 3.39Å; G148-I152 WeakPolarHBondContact O-CG1 3.43Å; G148-I152 PolarHBondContact O-N 3.05Å; G148-I152 VanDerWaalsContact O-N 3.07Å; G148-F168 VanDerWaalsContact CA-CE2 3.49Å
149R97.9Very high98.1Very high165 Ų16540.2 Ų40.262%0.62320%0.2SC*.Hα-helixtrans-70.1-50.5177.8-178.7174.7-177.3156.52112.3A147 T151 I152 H153 V174A147-R149 PolarHBondContact O-N 2.98Å; R149-T151 VanDerWaalsContact C-N 3.29Å; R149-T151 PolarHBondContact O-N 2.94Å; R149-I152 PolarHBondContact O-N 3.1Å; R149-H153 WeakPolarHBondContact O-CB 3.46Å; R149-H153 PolarHBondContact O-N 2.84Å; R149-V174 HydrophobicContact CB-CG1 3.73Å; R149-V174 HydrophobicContact CB-CG2 4.25Å; R149-V174 HydrophobicContact CG-CG1 4.39Å
150P98.1Very high98.1Very high50 Ų5040.8 Ų40.833%0.32520%0.203SC..Hα-helixtrans-49.5-47170.3-29.431.9000113.7L106 F108 A147 H153 L154L106-P150 HydrophobicContact CD1-CB 3.93Å; F108-P150 HydrophobicContact CD2-CG 4.21Å; F108-P150 HydrophobicContact CE2-CB 3.78Å; F108-P150 HydrophobicContact CE2-CG 3.74Å; F108-P150 HydrophobicContact CZ-CB 4.36Å; A147-P150 WeakPolarHBondContact O-CB 3.38Å; A147-P150 WeakPolarHBondContact O-CD 3.33Å; P150-H153 PolarHBondContact O-N 3.29Å; P150-L154 WeakPolarHBondContact O-CB 3.4Å; P150-L154 PolarHBondContact O-N 2.85Å
151T98.8Very high97.9Very high0 Ų048.3 Ų48.30%024%0.238CC..Hα-helixtrans-62.9-52.8-179-56.50000111.4L126 V142 A147 R149 H153 L154 L155 L165L126-T151 HydrophobicContact CD2-CG2 4.41Å; V142-T151 HydrophobicContact CG1-CG2 3.49Å; V142-T151 VanDerWaalsContact CG1-CG2 3.49Å; A147-T151 WeakPolarHBondContact O-CB 3.41Å; A147-T151 PolarHBondContact O-N 2.7Å; A147-T151 PolarHBondContact O-OG1 2.8Å; R149-T151 VanDerWaalsContact C-N 3.29Å; R149-T151 PolarHBondContact O-N 2.94Å; T151-H153 VanDerWaalsContact C-N 3.29Å; T151-H153 PolarHBondContact O-N 3.4Å; T151-L154 PolarHBondContact O-N 2.81Å; T151-L155 HydrophobicContact CG2-CD1 4.11Å; T151-L155 HydrophobicContact CG2-CG 4.32Å; T151-L155 VanDerWaalsContact O-CG 3.27Å; T151-L155 WeakPolarHBondContact O-CG 3.39Å; T151-L155 PolarHBondContact O-N 2.95Å; T151-L165 HydrophobicContact CG2-CD2 4.11Å
152I98.6Very high97.9Very high1 Ų151.2 Ų51.21%0.00525%0.251CS..Hα-helixtrans-59-41.8179.4-75.8163.8000111.6G148 R149 K156 L165 F168 V174 E177 Y183G148-I152 WeakPolarHBondContact O-CG1 3.43Å; G148-I152 PolarHBondContact O-N 3.05Å; G148-I152 VanDerWaalsContact O-N 3.07Å; R149-I152 PolarHBondContact O-N 3.1Å; I152-K156 HydrophobicContact CG2-CD 3.97Å; I152-K156 VanDerWaalsContact O-CG 3.27Å; I152-K156 WeakPolarHBondContact O-CG 3.41Å; I152-K156 PolarHBondContact O-N 3.22Å; I152-K156 VanDerWaalsContact O-N 3.14Å; I152-L165 HydrophobicContact CD1-CD1 3.8Å; I152-L165 HydrophobicContact CG1-CD1 3.61Å; I152-L165 HydrophobicContact CG1-CD2 4.47Å; I152-F168 HydrophobicContact CD1-CE2 3.91Å; I152-F168 HydrophobicContact CD1-CZ 4.12Å; I152-V174 HydrophobicContact CD1-CG1 3.93Å; I152-V174 WeakPolarHBondContact CD1-O 3.49Å; I152-E177 HydrophobicContact CG2-CB 4.27Å; I152-Y183 HydrophobicContact CG2-CE2 4.44Å
153H98.5Very high97.9Very high105 Ų10551.2 Ų51.249%0.48625%0.251SS..Hα-helixtrans-62.3-49.9178.6-173.751.8000111.2R149 P150 T151 L155 K156 E157R149-H153 WeakPolarHBondContact O-CB 3.46Å; R149-H153 PolarHBondContact O-N 2.84Å; P150-H153 PolarHBondContact O-N 3.29Å; T151-H153 VanDerWaalsContact C-N 3.29Å; T151-H153 PolarHBondContact O-N 3.4Å; H153-L155 PolarHBondContact O-N 3.47Å; H153-K156 WeakPolarHBondContact O-CB 3.35Å; H153-K156 PolarHBondContact O-N 2.57Å; H153-K156 VanDerWaalsContact O-N 3.14Å; H153-E157 IonicContact CD2-OE1 3.29Å; H153-E157 IonicContact CE1-OE1 2.69Å; H153-E157 PolarHBondContact CE1-OE1 3.43Å; H153-E157 IonicContact NE2-OE1 3.73Å; H153-E157 PolarHBondContact NE2-OE1 2.91Å; H153-E157 WeakPolarHBondContact O-CG 3.32Å; H153-E157 PolarHBondContact O-N 3.25Å
154L98.7Very high97.9Very high13 Ų1350.8 Ų50.87%0.06825%0.249CC..Hα-helixtrans-61.7-43.8-179.7-17269.4000112K123 L126 I127 P150 T151 K156 E157 Q158K123-L154 HydrophobicContact CB-CD2 4.2Å; K123-L154 HydrophobicContact CG-CD2 4.27Å; L126-L154 HydrophobicContact CB-CD2 4.25Å; L126-L154 HydrophobicContact CD2-CD2 3.75Å; L126-L154 HydrophobicContact CG-CD2 4.03Å; I127-L154 HydrophobicContact CD1-CD1 3.97Å; I127-L154 HydrophobicContact CG1-CD1 3.85Å; I127-L154 HydrophobicContact CG1-CD2 4.15Å; I127-L154 HydrophobicContact CG1-CG 4.25Å; P150-L154 WeakPolarHBondContact O-CB 3.4Å; P150-L154 PolarHBondContact O-N 2.85Å; T151-L154 PolarHBondContact O-N 2.81Å; L154-K156 VanDerWaalsContact C-N 3.26Å; L154-K156 PolarHBondContact O-N 2.7Å; L154-E157 PolarHBondContact O-N 3.06Å; L154-Q158 HydrophobicContact CG-CG 4.43Å; L154-Q158 WeakPolarHBondContact O-CB 3.44Å; L154-Q158 WeakPolarHBondContact O-CG 3.17Å; L154-Q158 PolarHBondContact O-N 3.2Å
155L98.8Very high97.9Very high2 Ų250.7 Ų50.71%0.0125%0.248CC..Hα-helixtrans-58.2-40.9176.3-68.7178.7000111.7L140 V142 T151 H153 Q158 G159 V160 A163 L165 Y183L140-L155 HydrophobicContact CD1-CD2 3.64Å; V142-L155 HydrophobicContact CG1-CD1 4.36Å; V142-L155 HydrophobicContact CG2-CD1 4.33Å; T151-L155 HydrophobicContact CG2-CD1 4.11Å; T151-L155 HydrophobicContact CG2-CG 4.32Å; T151-L155 VanDerWaalsContact O-CG 3.27Å; T151-L155 WeakPolarHBondContact O-CG 3.39Å; T151-L155 PolarHBondContact O-N 2.95Å; H153-L155 PolarHBondContact O-N 3.47Å; L155-Q158 CarbonylContact O-C 3.48Å; L155-Q158 PolarHBondContact O-N 3.4Å; L155-G159 PolarHBondContact O-N 3.05Å; L155-G159 VanDerWaalsContact O-N 3.13Å; L155-V160 HydrophobicContact CB-CB 4.25Å; L155-V160 HydrophobicContact CB-CG2 4.46Å; L155-V160 HydrophobicContact CD2-CB 4.29Å; L155-V160 HydrophobicContact CD2-CG1 4.41Å; L155-V160 HydrophobicContact CD2-CG2 3.93Å; L155-V160 WeakPolarHBondContact O-CB 3.41Å; L155-V160 PolarHBondContact O-N 3.03Å; L155-A163 HydrophobicContact CD1-CB 4.13Å; L155-L165 HydrophobicContact CD1-CD2 4.32Å; L155-Y183 HydrophobicContact CB-CE2 4Å; L155-Y183 WeakPolarHBondContact CB-OH 3.19Å; L155-Y183 HydrophobicContact CD1-CE2 4.1Å
156K98.5Very high98Very high101 Ų10146 Ų4644%0.43923%0.231SC..Hα-helixtrans-67.9-43.5177.1-71.3169.361.5-179.80112.1I152 H153 L154 Q158 G159 A181 Y183I152-K156 HydrophobicContact CG2-CD 3.97Å; I152-K156 VanDerWaalsContact O-CG 3.27Å; I152-K156 WeakPolarHBondContact O-CG 3.41Å; I152-K156 PolarHBondContact O-N 3.22Å; I152-K156 VanDerWaalsContact O-N 3.14Å; H153-K156 WeakPolarHBondContact O-CB 3.35Å; H153-K156 PolarHBondContact O-N 2.57Å; H153-K156 VanDerWaalsContact O-N 3.14Å; L154-K156 VanDerWaalsContact C-N 3.26Å; L154-K156 PolarHBondContact O-N 2.7Å; K156-Q158 VanDerWaalsContact C-N 3.29Å; K156-Q158 PolarHBondContact O-N 3.07Å; K156-G159 WeakPolarHBondContact O-CA 3.41Å; K156-G159 PolarHBondContact O-N 3.26Å; K156-A181 HydrophobicContact CD-CB 4.17Å; K156-A181 HydrophobicContact CG-CB 4.04Å; K156-Y183 HydrophobicContact CG-CE2 4.32Å; K156-Y183 WeakPolarHBondContact CG-OH 3.44Å; K156-Y183 PolarHBondContact N-OH 2.96Å
157E98.3Very high98.1Very high118 Ų11843.3 Ų43.355%0.55121%0.213SC*.Hα-helixtrans-61.5-40.6176-71.4-179.2146.500111.7H153 L154 G159H153-E157 IonicContact CD2-OE1 3.29Å; H153-E157 IonicContact CE1-OE1 2.69Å; H153-E157 PolarHBondContact CE1-OE1 3.43Å; H153-E157 IonicContact NE2-OE1 3.73Å; H153-E157 PolarHBondContact NE2-OE1 2.91Å; H153-E157 WeakPolarHBondContact O-CG 3.32Å; H153-E157 PolarHBondContact O-N 3.25Å; L154-E157 PolarHBondContact O-N 3.06Å; E157-G159 PolarHBondContact O-N 3.32Å
158Q98.4Very high98.1Very high54 Ų5443.3 Ų43.325%0.25221%0.213SC..THydrogen-bonded Turntrans-74.6-2.2174.5-64-49.6-58.400112.7I127 A130 K134 L154 L155 K156 V160I127-Q158 HydrophobicContact CG1-CG 4.07Å; A130-Q158 HydrophobicContact CB-CB 4.4Å; K134-Q158 WeakPolarHBondContact CE-O 3.25Å; K134-Q158 PolarHBondContact NZ-O 2.8Å; L154-Q158 HydrophobicContact CG-CG 4.43Å; L154-Q158 WeakPolarHBondContact O-CB 3.44Å; L154-Q158 WeakPolarHBondContact O-CG 3.17Å; L154-Q158 PolarHBondContact O-N 3.2Å; L155-Q158 CarbonylContact O-C 3.48Å; L155-Q158 PolarHBondContact O-N 3.4Å; K156-Q158 VanDerWaalsContact C-N 3.29Å; K156-Q158 PolarHBondContact O-N 3.07Å; Q158-V160 HydrophobicContact CB-CG2 4.29Å; Q158-V160 PolarHBondContact O-N 3.37Å
159G97.8Very high97.6Very high36 Ų3646.8 Ų46.837%0.37123%0.23SC..THydrogen-bonded Turntrans61.34017900000113.3K134 L155 K156 E157K134-G159 WeakPolarHBondContact CE-O 3.41Å; K134-G159 PolarHBondContact NZ-O 2.94Å; L155-G159 PolarHBondContact O-N 3.05Å; L155-G159 VanDerWaalsContact O-N 3.13Å; K156-G159 WeakPolarHBondContact O-CA 3.41Å; K156-G159 PolarHBondContact O-N 3.26Å; E157-G159 PolarHBondContact O-N 3.32Å
160V98.2Very high97.2Very high16 Ų1640.1 Ų40.110%0.09721%0.212CC..  trans-74.2128.7173.4175.60000108.8A130 L140 L155 Q158 A163 Y183A130-V160 HydrophobicContact CB-CG2 3.99Å; L140-V160 HydrophobicContact CD1-CG1 4.02Å; L140-V160 HydrophobicContact CD1-CG2 3.97Å; L140-V160 HydrophobicContact CG-CG1 4.35Å; L155-V160 HydrophobicContact CB-CB 4.25Å; L155-V160 HydrophobicContact CB-CG2 4.46Å; L155-V160 HydrophobicContact CD2-CB 4.29Å; L155-V160 HydrophobicContact CD2-CG1 4.41Å; L155-V160 HydrophobicContact CD2-CG2 3.93Å; L155-V160 WeakPolarHBondContact O-CB 3.41Å; L155-V160 PolarHBondContact O-N 3.03Å; Q158-V160 HydrophobicContact CB-CG2 4.29Å; Q158-V160 PolarHBondContact O-N 3.37Å; V160-A163 HydrophobicContact CG1-CB 4.11Å; V160-Y183 WeakPolarHBondContact O-CE1 3.19Å; V160-Y183 PolarHBondContact O-OH 2.82Å
161E95.3Very high97Very high159 Ų15945.2 Ų45.274%0.74323%0.229SC*.  trans-98.2-33.2-177.4-62.2-178.1-17800113
162K97.8Very high96.9Very high60 Ų6046.5 Ų46.526%0.26124%0.238SC..  trans-124.3104.5-172.7-61.3173.5-1661510109.5D137 P139 L140 L259D137-K162 IonicContact OD1-NZ 3.73Å; D137-K162 PolarHBondContact OD1-NZ 2.81Å; P139-K162 VanDerWaalsContact CA-O 3.32Å; P139-K162 WeakPolarHBondContact CA-O 3.49Å; P139-K162 HydrophobicContact CB-CB 3.72Å; L140-K162 PolarHBondContact N-O 2.87Å; K162-L259 HydrophobicContact CB-CD1 3.9Å
163A98.7Very high96.7Very high0 Ų050.2 Ų50.20%026%0.264CS..EExtended strand (participates in β ladder)trans-138.4137.8178.500000111.8L140 V142 L155 V160 Y183 F184L140-A163 HydrophobicContact CB-CB 4.48Å; L140-A163 WeakPolarHBondContact O-CA 3.44Å; V142-A163 HydrophobicContact CG2-CB 4.3Å; L155-A163 HydrophobicContact CD1-CB 4.13Å; V160-A163 HydrophobicContact CG1-CB 4.11Å; A163-Y183 HydrophobicContact CB-CD1 3.88Å; A163-Y183 HydrophobicContact CB-CE1 4.21Å; A163-Y183 HydrophobicContact CB-CG 4.19Å; A163-F184 PolarHBondContact O-N 3.06Å
164L98.9Very high96.7Very high0 Ų046 Ų460%025%0.245CC..EExtended strand (participates in β ladder)trans-96119.2162.4-17062.3000108.7C7 L140 V142 H166 F184 S186 C209 L259 F260C7-L164 HydrophobicContact CB-CD2 3.55Å; L140-L164 PolarHBondContact O-N 3.37Å; V142-L164 WeakPolarHBondContact CA-O 3.36Å; V142-L164 VanDerWaalsContact CB-O 3.26Å; V142-L164 WeakPolarHBondContact CB-O 3.39Å; V142-L164 PolarHBondContact N-O 3.41Å; L164-H166 PolarHBondContact O-N 3.06Å; L164-F184 HydrophobicContact CD1-CB 3.88Å; L164-S186 WeakPolarHBondContact CD2-OG 3.21Å; L164-S186 WeakPolarHBondContact CG-OG 3.44Å; L164-C209 HydrophobicContact CD1-CB 3.92Å; L164-L259 HydrophobicContact CB-CD2 3.73Å; L164-L259 HydrophobicContact CD1-CD2 3.88Å; L164-L259 HydrophobicContact CG-CD2 4.33Å; L164-F260 HydrophobicContact CB-CZ 4.24Å; L164-F260 HydrophobicContact CD2-CE2 4.45Å; L164-F260 HydrophobicContact CD2-CZ 4.1Å
165L98.8Very high96.6Very high0 Ų045.4 Ų45.40%024%0.242CC..EExtended strand (participates in β ladder)trans-90.896.3167.5-71.4164.1000108V142 T151 I152 L155 F168 Y183 F184 F185 S186V142-L165 HydrophobicContact CB-CD2 4.18Å; V142-L165 HydrophobicContact CG1-CD2 4.09Å; T151-L165 HydrophobicContact CG2-CD2 4.11Å; I152-L165 HydrophobicContact CD1-CD1 3.8Å; I152-L165 HydrophobicContact CG1-CD1 3.61Å; I152-L165 HydrophobicContact CG1-CD2 4.47Å; L155-L165 HydrophobicContact CD1-CD2 4.32Å; L165-F168 HydrophobicContact CB-CD2 4.34Å; L165-Y183 HydrophobicContact CD1-CD2 4.1Å; L165-F184 PolarHBondContact N-O 3.21Å; L165-F185 HydrophobicContact CB-CD1 3.8Å; L165-F185 HydrophobicContact CB-CE1 3.88Å; L165-F185 HydrophobicContact CD1-CD1 4.19Å; L165-F185 HydrophobicContact CD1-CE1 3.42Å; L165-F185 VanDerWaalsContact CD1-CE1 3.42Å; L165-F185 HydrophobicContact CD1-CE2 4.5Å; L165-F185 HydrophobicContact CD1-CZ 3.6Å; L165-F185 HydrophobicContact CG-CE1 4.31Å; L165-F185 WeakPolarHBondContact O-CA 3.41Å; L165-S186 PolarHBondContact O-N 3.32Å
166H98.6Very high96.6Very high7 Ų748 Ų483%0.03226%0.255CS..THydrogen-bonded Turntrans-73.3145.8-176.6106.479000110.9H8 E103 V142 H143 L164 F168 S186 E211H8-H166 HydrophobicContact CB-CB 4.41Å; H8-H166 AromaticContact CD2-ND1 3.91Å; H8-H166 AromaticContact CE1-CD2 3.29Å; H8-H166 PolarHBondContact CE1-CD2 3.11Å; H8-H166 AromaticContact CE1-CE1 3.79Å; H8-H166 AromaticContact CE1-CG 3.47Å; H8-H166 VanDerWaalsContact CE1-CG 3.47Å; H8-H166 AromaticContact CE1-ND1 3.85Å; H8-H166 AromaticContact CE1-NE2 3.5Å; H8-H166 AromaticContact ND1-CD2 3.82Å; H8-H166 AromaticContact ND1-CG 3.63Å; H8-H166 AromaticContact NE2-CD2 3.8Å; H8-H166 AromaticContact NE2-CE1 3.48Å; H8-H166 PolarHBondContact NE2-CE1 3Å; H8-H166 AromaticContact NE2-CG 3.81Å; H8-H166 AromaticContact NE2-ND1 3.69Å; H8-H166 AromaticContact NE2-NE2 3.59Å; E103-H166 IonicContact OE1-CD2 2.66Å; E103-H166 PolarHBondContact OE1-CD2 3.46Å; E103-H166 VanDerWaalsContact OE1-CD2 3.29Å; E103-H166 IonicContact OE1-CE1 2.7Å; E103-H166 IonicContact OE1-NE2 2.77Å; E103-H166 PolarHBondContact OE1-NE2 2.5Å; V142-H166 PolarHBondContact O-CD2 3.26Å; V142-H166 PolarHBondContact O-N 2.95Å; H143-H166 AromaticContact ND1-NE2 3.29Å; H143-H166 PolarHBondContact ND1-NE2 3.04Å; L164-H166 PolarHBondContact O-N 3.06Å; H166-F168 PolarHBondContact O-N 3.43Å; H166-S186 WeakPolarHBondContact CA-OG 3.4Å; H166-E211 WeakPolarHBondContact CB-OE2 3.4Å; H166-E211 IonicContact ND1-OE2 2.63Å
167A97.3Very high96.5Very high15 Ų1546.4 Ų46.412%0.12425%0.249CC..THydrogen-bonded Turntrans3840.5177.400000115.2D169 P188 Q196 E211 L217A167-D169 PolarHBondContact O-N 3.38Å; A167-P188 HydrophobicContact CB-CG 4.23Å; A167-Q196 VanDerWaalsContact C-NE2 3.26Å; A167-Q196 PolarHBondContact O-NE2 3.31Å; A167-E211 WeakPolarHBondContact CA-OE1 3.38Å; A167-E211 WeakPolarHBondContact CB-OE1 3.3Å; A167-E211 PolarHBondContact N-OE1 3.02Å; A167-L217 HydrophobicContact CB-CD1 3.55Å
168F97.1Very high96.5Very high1 Ų140.8 Ų40.80%0.00422%0.223CC..  trans-57.5117.2-169.3-174.1-94.7000111.7S144 G148 I152 L165 H166 G170 V174 A175 F185 L199S144-F168 WeakPolarHBondContact OG-CD2 3.43Å; G148-F168 VanDerWaalsContact CA-CE2 3.49Å; I152-F168 HydrophobicContact CD1-CE2 3.91Å; I152-F168 HydrophobicContact CD1-CZ 4.12Å; L165-F168 HydrophobicContact CB-CD2 4.34Å; H166-F168 PolarHBondContact O-N 3.43Å; F168-G170 VanDerWaalsContact CE1-C 3.49Å; F168-V174 HydrophobicContact CZ-CB 4.25Å; F168-V174 HydrophobicContact CZ-CG1 3.92Å; F168-A175 HydrophobicContact CD1-CB 4.08Å; F168-A175 HydrophobicContact CE1-CB 3.75Å; F168-A175 HydrophobicContact CZ-CB 4.43Å; F168-F185 HydrophobicContact CB-CD1 3.79Å; F168-F185 HydrophobicContact CB-CE1 4.23Å; F168-F185 HydrophobicContact CD1-CD1 4.42Å; F168-F185 HydrophobicContact CD1-CE1 4.21Å; F168-F185 HydrophobicContact CD2-CD1 4.45Å; F168-F185 HydrophobicContact CD2-CE1 4.07Å; F168-F185 HydrophobicContact CE2-CE1 4.47Å; F168-F185 AromaticContact CG-CD1 3.99Å; F168-F185 HydrophobicContact CG-CD1 3.99Å; F168-F185 AromaticContact CG-CE1 3.92Å; F168-F185 HydrophobicContact CG-CE1 3.92Å; F168-L199 HydrophobicContact CB-CD2 4.14Å; F168-L199 HydrophobicContact CD1-CD1 4.37Å; F168-L199 HydrophobicContact CD1-CD2 3.75Å; F168-L199 HydrophobicContact CG-CD2 4.44Å; F168-L199 VanDerWaalsContact O-CD2 3.28Å; F168-L199 WeakPolarHBondContact O-CD2 3.32Å
169D86.4Confident96.5Very high80 Ų8039.2 Ų39.243%0.42822%0.217SC..  trans-100.54-175.670.8-13.7000113.3A167A167-D169 PolarHBondContact O-N 3.38Å
170G90.5Very high96.6Very high25 Ų2546.1 Ų46.126%0.25824%0.236SC..SBendtrans-79.7176.8-178.200000114.9F168F168-G170 VanDerWaalsContact CE1-C 3.49Å
171K94Very high96.5Very high156 Ų15647 Ų4768%0.67825%0.246SC*.  trans-66.6144.3178.6-66.1-177.3-179.5179.70111.4S173 V174 A175K171-S173 PolarHBondContact O-N 2.84Å; K171-S173 VanDerWaalsContact O-N 3.17Å; K171-V174 HydrophobicContact CB-CG2 4.3Å; K171-V174 WeakPolarHBondContact O-CB 3.35Å; K171-V174 PolarHBondContact O-N 3.43Å; K171-A175 PolarHBondContact O-N 2.96Å; K171-A175 VanDerWaalsContact O-N 3.14Å
172P95.1Very high96.7Very high28 Ų2841.2 Ų41.218%0.18223%0.228CC..Hα-helixtrans-55.7-35.4176.6-27.835.6000114.2V174 A175 M176 L199 Q202P172-V174 VanDerWaalsContact C-N 3.25Å; P172-V174 PolarHBondContact O-N 3.07Å; P172-A175 PolarHBondContact O-N 3.42Å; P172-M176 WeakPolarHBondContact O-CG 3.27Å; P172-M176 PolarHBondContact O-N 3.16Å; P172-L199 HydrophobicContact CB-CD1 4.41Å; P172-Q202 HydrophobicContact CB-CB 4.31Å; P172-Q202 HydrophobicContact CB-CG 4.35Å; P172-Q202 VanDerWaalsContact CB-OE1 3.25Å
173S95.9Very high96.7Very high79 Ų7938.4 Ų38.455%0.55222%0.216SC*.Hα-helixtrans-60.6-35.6176.660.30000112.8K171K171-S173 PolarHBondContact O-N 2.84Å; K171-S173 VanDerWaalsContact O-N 3.17Å
174V97.1Very high96.7Very high16 Ų1638.9 Ų38.910%0.09722%0.218CC..Hα-helixtrans-74.7-42.2177179.50000110R149 I152 F168 K171 P172 M176 E177 G178R149-V174 HydrophobicContact CB-CG1 3.73Å; R149-V174 HydrophobicContact CB-CG2 4.25Å; R149-V174 HydrophobicContact CG-CG1 4.39Å; I152-V174 HydrophobicContact CD1-CG1 3.93Å; I152-V174 WeakPolarHBondContact CD1-O 3.49Å; F168-V174 HydrophobicContact CZ-CB 4.25Å; F168-V174 HydrophobicContact CZ-CG1 3.92Å; K171-V174 HydrophobicContact CB-CG2 4.3Å; K171-V174 WeakPolarHBondContact O-CB 3.35Å; K171-V174 PolarHBondContact O-N 3.43Å; P172-V174 VanDerWaalsContact C-N 3.25Å; P172-V174 PolarHBondContact O-N 3.07Å; V174-M176 PolarHBondContact O-N 3.02Å; V174-E177 VanDerWaalsContact O-CB 3.29Å; V174-E177 WeakPolarHBondContact O-CB 3.31Å; V174-E177 PolarHBondContact O-N 3.11Å; V174-G178 PolarHBondContact O-N 2.99Å
175A97.5Very high96.7Very high0 Ų039 Ų390%022%0.219CC..Hα-helixtrans-58.7-37.7175.400000112.3F168 K171 P172 E177 G178 V179 F185 L199 L203F168-A175 HydrophobicContact CD1-CB 4.08Å; F168-A175 HydrophobicContact CE1-CB 3.75Å; F168-A175 HydrophobicContact CZ-CB 4.43Å; K171-A175 PolarHBondContact O-N 2.96Å; K171-A175 VanDerWaalsContact O-N 3.14Å; P172-A175 PolarHBondContact O-N 3.42Å; A175-E177 PolarHBondContact O-N 3.17Å; A175-G178 WeakPolarHBondContact O-CA 3.35Å; A175-G178 PolarHBondContact O-N 3.17Å; A175-V179 PolarHBondContact O-N 3.14Å; A175-F185 HydrophobicContact CB-CE1 3.79Å; A175-F185 HydrophobicContact CB-CZ 3.87Å; A175-F185 WeakPolarHBondContact O-CZ 3.34Å; A175-L199 HydrophobicContact CB-CD1 3.29Å; A175-L203 HydrophobicContact CB-CD2 4.16Å
176M98Very high96.7Very high58 Ų5839.2 Ų39.229%0.28622%0.22SC..Hα-helixtrans-63.8-24.3175.1-69.7-51.2-54.700113.7P172 V174 V179 K180P172-M176 WeakPolarHBondContact O-CG 3.27Å; P172-M176 PolarHBondContact O-N 3.16Å; V174-M176 PolarHBondContact O-N 3.02Å; M176-V179 HydrophobicContact CE-CB 4.1Å; M176-V179 HydrophobicContact CE-CG1 3.98Å; M176-V179 HydrophobicContact CE-CG2 4.39Å; M176-V179 HydrophobicContact SD-CB 4.45Å; M176-V179 HydrophobicContact SD-CG2 4.16Å; M176-K180 VanDerWaalsContact O-CG 3.32Å; M176-K180 WeakPolarHBondContact O-CG 3.33Å; M176-K180 PolarHBondContact O-N 3.35Å; M176-K180 VanDerWaalsContact O-N 3.14Å
177E97.9Very high96.7Very high66 Ų6639 Ų3931%0.30822%0.22SC..Hα-helixtrans-68-37.9169.6-60.2-179.8-147.500111.3I152 V174 A175 K180 A181I152-E177 HydrophobicContact CG2-CB 4.27Å; V174-E177 VanDerWaalsContact O-CB 3.29Å; V174-E177 WeakPolarHBondContact O-CB 3.31Å; V174-E177 PolarHBondContact O-N 3.11Å; A175-E177 PolarHBondContact O-N 3.17Å; E177-K180 PolarHBondContact O-N 2.96Å; E177-A181 PolarHBondContact O-N 2.95Å
178G98.3Very high96.8Very high0 Ų038.3 Ų38.30%021%0.214CC..Hα-helixtrans-68-41.5173.700000112.7V174 A175 K180 A181 G182 Y183V174-G178 PolarHBondContact O-N 2.99Å; A175-G178 WeakPolarHBondContact O-CA 3.35Å; A175-G178 PolarHBondContact O-N 3.17Å; G178-K180 VanDerWaalsContact C-N 3.31Å; G178-K180 PolarHBondContact O-N 2.94Å; G178-A181 CarbonylContact O-C 3.25Å; G178-A181 WeakPolarHBondContact O-CA 3.46Å; G178-A181 WeakPolarHBondContact O-CB 3.25Å; G178-A181 PolarHBondContact O-N 3.26Å; G178-G182 PolarHBondContact O-N 3.12Å; G178-G182 VanDerWaalsContact O-N 3.17Å; G178-Y183 WeakPolarHBondContact O-CB 3.37Å; G178-Y183 PolarHBondContact O-N 2.59Å
179V98.3Very high96.8Very high21 Ų2138.3 Ų38.313%0.12721%0.214CC..Hα-helixtrans-56.5-45.9173.3170.60000111A175 M176 A181 G182 F185 L203 P204 N207A175-V179 PolarHBondContact O-N 3.14Å; M176-V179 HydrophobicContact CE-CB 4.1Å; M176-V179 HydrophobicContact CE-CG1 3.98Å; M176-V179 HydrophobicContact CE-CG2 4.39Å; M176-V179 HydrophobicContact SD-CB 4.45Å; M176-V179 HydrophobicContact SD-CG2 4.16Å; V179-A181 PolarHBondContact O-N 3.41Å; V179-G182 PolarHBondContact O-N 3.27Å; V179-F185 HydrophobicContact CG2-CD2 4.27Å; V179-F185 HydrophobicContact CG2-CE2 3.69Å; V179-L203 HydrophobicContact CG2-CD2 3.62Å; V179-P204 HydrophobicContact CG1-CG 4.05Å; V179-N207 HydrophobicContact CG2-CB 4.23Å
180K98.1Very high97.4Very high181 Ų18134.6 Ų34.679%0.78719%0.194SC*.Hα-helixtrans-64.4-26.8176.7-72.4173.7-177.2-179.50113.2M176 E177 G178 G182M176-K180 VanDerWaalsContact O-CG 3.32Å; M176-K180 WeakPolarHBondContact O-CG 3.33Å; M176-K180 PolarHBondContact O-N 3.35Å; M176-K180 VanDerWaalsContact O-N 3.14Å; E177-K180 PolarHBondContact O-N 2.96Å; G178-K180 VanDerWaalsContact C-N 3.31Å; G178-K180 PolarHBondContact O-N 2.94Å; K180-G182 VanDerWaalsContact C-N 3.26Å
181A97.8Very high97.7Very high35 Ų3533.4 Ų33.429%0.28918%0.182SC..THydrogen-bonded Turntrans-82.1-2.7173.900000113.1K156 E177 G178 V179 Y183K156-A181 HydrophobicContact CD-CB 4.17Å; K156-A181 HydrophobicContact CG-CB 4.04Å; E177-A181 PolarHBondContact O-N 2.95Å; G178-A181 CarbonylContact O-C 3.25Å; G178-A181 WeakPolarHBondContact O-CA 3.46Å; G178-A181 WeakPolarHBondContact O-CB 3.25Å; G178-A181 PolarHBondContact O-N 3.26Å; V179-A181 PolarHBondContact O-N 3.41Å; A181-Y183 HydrophobicContact CB-CD1 4.34Å; A181-Y183 HydrophobicContact CB-CD2 4.09Å; A181-Y183 HydrophobicContact CB-CE1 4.08Å; A181-Y183 HydrophobicContact CB-CE2 3.83Å; A181-Y183 HydrophobicContact CB-CG 4.33Å
182G98.1Very high97.6Very high37 Ų3729.1 Ų29.138%0.38117%0.169SC..THydrogen-bonded Turntrans86.110.5-179.300000114.6G178 V179 K180G178-G182 PolarHBondContact O-N 3.12Å; G178-G182 VanDerWaalsContact O-N 3.17Å; V179-G182 PolarHBondContact O-N 3.27Å; K180-G182 VanDerWaalsContact C-N 3.26Å
183Y98.8Very high97.4Very high2 Ų232.5 Ų32.51%0.00818%0.178CC..  trans-76.8156.5179.6-54.6-23.8000112.1I152 L155 K156 V160 A163 L165 G178 A181 N207I152-Y183 HydrophobicContact CG2-CE2 4.44Å; L155-Y183 HydrophobicContact CB-CE2 4Å; L155-Y183 WeakPolarHBondContact CB-OH 3.19Å; L155-Y183 HydrophobicContact CD1-CE2 4.1Å; K156-Y183 HydrophobicContact CG-CE2 4.32Å; K156-Y183 WeakPolarHBondContact CG-OH 3.44Å; K156-Y183 PolarHBondContact N-OH 2.96Å; V160-Y183 WeakPolarHBondContact O-CE1 3.19Å; V160-Y183 PolarHBondContact O-OH 2.82Å; A163-Y183 HydrophobicContact CB-CD1 3.88Å; A163-Y183 HydrophobicContact CB-CE1 4.21Å; A163-Y183 HydrophobicContact CB-CG 4.19Å; L165-Y183 HydrophobicContact CD1-CD2 4.1Å; G178-Y183 WeakPolarHBondContact O-CB 3.37Å; G178-Y183 PolarHBondContact O-N 2.59Å; A181-Y183 HydrophobicContact CB-CD1 4.34Å; A181-Y183 HydrophobicContact CB-CD2 4.09Å; A181-Y183 HydrophobicContact CB-CE1 4.08Å; A181-Y183 HydrophobicContact CB-CE2 3.83Å; A181-Y183 HydrophobicContact CB-CG 4.33Å; Y183-N207 PolarHBondContact O-ND2 3.48Å
184F98.9Very high97Very high10 Ų1030.1 Ų30.14%0.04416%0.161CC..EExtended strand (participates in β ladder)trans-107.8158175.6-66.5-95.5000110.5A163 L164 L165 E206 N207 N255 R258 L259A163-F184 PolarHBondContact O-N 3.06Å; L164-F184 HydrophobicContact CD1-CB 3.88Å; L165-F184 PolarHBondContact N-O 3.21Å; F184-E206 WeakPolarHBondContact CE1-O 3.43Å; F184-N207 CarbonylContact C-O 3.44Å; F184-N207 WeakPolarHBondContact CA-O 3.49Å; F184-N255 HydrophobicContact CD1-CB 3.81Å; F184-N255 HydrophobicContact CE1-CB 3.52Å; F184-R258 HydrophobicContact CZ-CB 4.43Å; F184-L259 HydrophobicContact CB-CD2 3.83Å; F184-L259 HydrophobicContact CD2-CB 3.99Å; F184-L259 HydrophobicContact CD2-CD1 3.88Å; F184-L259 HydrophobicContact CD2-CD2 3.84Å; F184-L259 HydrophobicContact CD2-CG 4.13Å; F184-L259 HydrophobicContact CE2-CB 4.05Å; F184-L259 HydrophobicContact CE2-CD1 4.3Å; F184-L259 HydrophobicContact CG-CD2 3.99Å
185F98.8Very high96.3Very high2 Ų236.2 Ų36.21%0.00919%0.189CC..EExtended strand (participates in β ladder)trans-130.5122.4179.7-62.8-95.7000108.6L165 F168 A175 V179 L203 N207 I208 C209L165-F185 HydrophobicContact CB-CD1 3.8Å; L165-F185 HydrophobicContact CB-CE1 3.88Å; L165-F185 HydrophobicContact CD1-CD1 4.19Å; L165-F185 HydrophobicContact CD1-CE1 3.42Å; L165-F185 VanDerWaalsContact CD1-CE1 3.42Å; L165-F185 HydrophobicContact CD1-CE2 4.5Å; L165-F185 HydrophobicContact CD1-CZ 3.6Å; L165-F185 HydrophobicContact CG-CE1 4.31Å; L165-F185 WeakPolarHBondContact O-CA 3.41Å; F168-F185 HydrophobicContact CB-CD1 3.79Å; F168-F185 HydrophobicContact CB-CE1 4.23Å; F168-F185 HydrophobicContact CD1-CD1 4.42Å; F168-F185 HydrophobicContact CD1-CE1 4.21Å; F168-F185 HydrophobicContact CD2-CD1 4.45Å; F168-F185 HydrophobicContact CD2-CE1 4.07Å; F168-F185 HydrophobicContact CE2-CE1 4.47Å; F168-F185 AromaticContact CG-CD1 3.99Å; F168-F185 HydrophobicContact CG-CD1 3.99Å; F168-F185 AromaticContact CG-CE1 3.92Å; F168-F185 HydrophobicContact CG-CE1 3.92Å; A175-F185 HydrophobicContact CB-CE1 3.79Å; A175-F185 HydrophobicContact CB-CZ 3.87Å; A175-F185 WeakPolarHBondContact O-CZ 3.34Å; V179-F185 HydrophobicContact CG2-CD2 4.27Å; V179-F185 HydrophobicContact CG2-CE2 3.69Å; F185-L203 HydrophobicContact CB-CD1 3.67Å; F185-L203 HydrophobicContact CD2-CD1 4.27Å; F185-L203 HydrophobicContact CD2-CD2 3.66Å; F185-L203 HydrophobicContact CE2-CD2 3.96Å; F185-L203 HydrophobicContact CG-CD1 3.91Å; F185-L203 HydrophobicContact CG-CD2 4.07Å; F185-N207 PolarHBondContact N-O 3.48Å; F185-I208 CarbonylContact O-C 3.03Å; F185-I208 WeakPolarHBondContact O-CA 3.34Å; F185-C209 PolarHBondContact O-N 3.36Å
186S98.7Very high95.7Very high4 Ų437.2 Ų37.23%0.02819%0.193CC..EExtended strand (participates in β ladder)trans-91.9151.4174.136.80000111.7L164 L165 H166 C209 E211L164-S186 WeakPolarHBondContact CD2-OG 3.21Å; L164-S186 WeakPolarHBondContact CG-OG 3.44Å; L165-S186 PolarHBondContact O-N 3.32Å; H166-S186 WeakPolarHBondContact CA-OG 3.4Å; S186-C209 WeakPolarHBondContact CA-O 3.47Å; S186-E211 VanDerWaalsContact CB-CD 3.45Å; S186-E211 WeakPolarHBondContact CB-OE2 3.26Å; S186-E211 VanDerWaalsContact OG-CD 3.26Å; S186-E211 PolarHBondContact OG-OE2 2.99Å
187V98.7Very high95.3Very high4 Ų438 Ų382%0.02420%0.196CC..EExtended strand (participates in β ladder)trans-123.5117.4-173.5-178.70000110I191 V200 I208 C209 E211 S233 I237V187-I191 HydrophobicContact CG1-CB 3.85Å; V187-I191 HydrophobicContact CG1-CD1 4.19Å; V187-I191 HydrophobicContact CG1-CG1 3.86Å; V187-I191 HydrophobicContact CG1-CG2 4.17Å; V187-V200 HydrophobicContact CG1-CG2 3.88Å; V187-V200 HydrophobicContact CG2-CG2 3.78Å; V187-I208 HydrophobicContact CG2-CG2 3.95Å; V187-C209 PolarHBondContact N-O 3.15Å; V187-E211 PolarHBondContact O-N 3.48Å; V187-S233 VanDerWaalsContact O-CB 3.26Å; V187-S233 WeakPolarHBondContact O-CB 3.31Å; V187-S233 PolarHBondContact O-OG 3.44Å; V187-I237 HydrophobicContact CB-CD1 4.14Å; V187-I237 HydrophobicContact CG1-CD1 4.42Å; V187-I237 HydrophobicContact CG2-CD1 4.29Å
188P98.4Very high94.9Very high0 Ų041 Ų410%021%0.209CC..  trans-86.4161.5-178.633-31.6000112.5A167 S190 I191 E211 L217 S233A167-P188 HydrophobicContact CB-CG 4.23Å; P188-S190 PolarHBondContact O-N 3.01Å; P188-S190 VanDerWaalsContact O-N 3.11Å; P188-I191 VanDerWaalsContact O-CB 3.25Å; P188-I191 WeakPolarHBondContact O-CB 3.25Å; P188-I191 VanDerWaalsContact O-CG2 3.29Å; P188-I191 WeakPolarHBondContact O-CG2 3.42Å; P188-I191 PolarHBondContact O-N 2.6Å; P188-E211 WeakPolarHBondContact CA-O 3.49Å; P188-E211 HydrophobicContact CB-CG 3.95Å; P188-E211 VanDerWaalsContact CD-OE1 3.25Å; P188-E211 WeakPolarHBondContact CD-OE1 3.37Å; P188-L217 HydrophobicContact CB-CB 3.85Å; P188-L217 HydrophobicContact CB-CD1 4.12Å; P188-L217 HydrophobicContact CG-CB 4.26Å; P188-L217 HydrophobicContact CG-CD1 3.89Å; P188-S233 PolarHBondContact O-OG 3.45Å
189P98.4Very high94.7Very high0 Ų041.6 Ų41.60%021%0.211CC..G310 helixtrans-60.7-23.8-179-2836000114.3I191 T192 E211 T212 P219 N229 V232 S233P189-I191 PolarHBondContact O-N 3.12Å; P189-T192 PolarHBondContact O-N 3.26Å; P189-T192 PolarHBondContact O-OG1 2.64Å; P189-E211 WeakPolarHBondContact CD-O 3.46Å; P189-T212 HydrophobicContact CG-CG2 4.06Å; P189-P219 HydrophobicContact CB-CG 3.83Å; P189-N229 HydrophobicContact CB-CB 4.19Å; P189-N229 HydrophobicContact CG-CB 3.85Å; P189-N229 WeakPolarHBondContact CG-O 3.41Å; P189-V232 HydrophobicContact CB-CB 4.08Å; P189-V232 HydrophobicContact CB-CG1 4.22Å; P189-S233 WeakPolarHBondContact CA-OG 3.12Å; P189-S233 VanDerWaalsContact N-OG 3.09Å
190S97.7Very high94.5Very high3 Ų340.6 Ų40.62%0.02121%0.206CC..G310 helixtrans-60.2-9.4171.666.40000113.9P188 T192 R193 S194 L217 G218P188-S190 PolarHBondContact O-N 3.01Å; P188-S190 VanDerWaalsContact O-N 3.11Å; S190-T192 PolarHBondContact O-N 3.24Å; S190-T192 VanDerWaalsContact O-N 3.08Å; S190-R193 CarbonylContact O-C 3.59Å; S190-R193 WeakPolarHBondContact O-CG 3.28Å; S190-R193 PolarHBondContact O-N 2.9Å; S190-S194 VanDerWaalsContact O-CB 3.29Å; S190-S194 WeakPolarHBondContact O-CB 3.29Å; S190-S194 PolarHBondContact O-N 3.21Å; S190-L217 WeakPolarHBondContact CB-O 3.43Å; S190-L217 PolarHBondContact N-O 3.46Å; S190-L217 PolarHBondContact OG-O 3.4Å; S190-G218 WeakPolarHBondContact CA-O 3.4Å; S190-G218 WeakPolarHBondContact CB-O 3.12Å
191I96.4Very high94.3Very high0 Ų039.4 Ų39.40%020%0.2CC..G310 helixtrans-50.6-31.9173.8-169.760.2000113V187 P188 P189 R193 S194 Q196 Q197 V200 Y236V187-I191 HydrophobicContact CG1-CB 3.85Å; V187-I191 HydrophobicContact CG1-CD1 4.19Å; V187-I191 HydrophobicContact CG1-CG1 3.86Å; V187-I191 HydrophobicContact CG1-CG2 4.17Å; P188-I191 VanDerWaalsContact O-CB 3.25Å; P188-I191 WeakPolarHBondContact O-CB 3.25Å; P188-I191 VanDerWaalsContact O-CG2 3.29Å; P188-I191 WeakPolarHBondContact O-CG2 3.42Å; P188-I191 PolarHBondContact O-N 2.6Å; P189-I191 PolarHBondContact O-N 3.12Å; I191-R193 PolarHBondContact O-N 3.4Å; I191-R193 VanDerWaalsContact O-N 3.12Å; I191-S194 PolarHBondContact O-N 2.95Å; I191-Q196 HydrophobicContact CD1-CB 3.41Å; I191-Q196 VanDerWaalsContact CD1-CB 3.41Å; I191-Q197 HydrophobicContact CD1-CG 4.12Å; I191-Q197 HydrophobicContact CG1-CG 4.46Å; I191-Q197 VanDerWaalsContact O-CG 3.23Å; I191-Q197 WeakPolarHBondContact O-CG 3.23Å; I191-Q197 PolarHBondContact O-NE2 2.81Å; I191-V200 HydrophobicContact CD1-CG2 3.64Å; I191-V200 HydrophobicContact CG1-CG2 4.17Å; I191-Y236 HydrophobicContact CB-CD1 4.3Å; I191-Y236 HydrophobicContact CD1-CD1 4.47Å; I191-Y236 HydrophobicContact CD1-CE1 4.09Å; I191-Y236 HydrophobicContact CG1-CD1 3.36Å; I191-Y236 HydrophobicContact CG1-CD2 4.47Å; I191-Y236 HydrophobicContact CG1-CE1 3.38Å; I191-Y236 HydrophobicContact CG1-CE2 4.49Å; I191-Y236 HydrophobicContact CG1-CG 3.97Å; I191-Y236 HydrophobicContact CG2-CD1 3.9Å; I191-Y236 HydrophobicContact CG2-CD2 4.36Å; I191-Y236 HydrophobicContact CG2-CG 3.75Å
192T92.2Very high94.2Very high65 Ų6543 Ų4340%0.39921%0.211SC..G310 helixtrans-61.2-20.9177.554.30000113.7P189 S190 Q197 V232P189-T192 PolarHBondContact O-N 3.26Å; P189-T192 PolarHBondContact O-OG1 2.64Å; S190-T192 PolarHBondContact O-N 3.24Å; S190-T192 VanDerWaalsContact O-N 3.08Å; T192-Q197 PolarHBondContact O-NE2 2.91Å; T192-V232 HydrophobicContact CG2-CG1 3.58Å
193R92Very high94.2Very high99 Ų9941.3 Ų41.337%0.37419%0.193SC..G310 helixtrans-128.45-178.360.3169.9177.184.2-4.3114.4S190 I191 G218 P219S190-R193 CarbonylContact O-C 3.59Å; S190-R193 WeakPolarHBondContact O-CG 3.28Å; S190-R193 PolarHBondContact O-N 2.9Å; I191-R193 PolarHBondContact O-N 3.4Å; I191-R193 VanDerWaalsContact O-N 3.12Å; R193-G218 PolarHBondContact NE-O 3.45Å; R193-G218 VanDerWaalsContact NE-O 3.17Å; R193-G218 PolarHBondContact NH2-O 2.87Å; R193-P219 WeakPolarHBondContact CD-O 3.42Å; R193-P219 PolarHBondContact NE-O 3.47Å
194S87.8Confident94.2Very high29 Ų2943.2 Ų43.220%0.20321%0.206CC..SBendtrans-101.3158-172.4178.40000112.1S190 I191 Q196 Q197S190-S194 VanDerWaalsContact O-CB 3.29Å; S190-S194 WeakPolarHBondContact O-CB 3.29Å; S190-S194 PolarHBondContact O-N 3.21Å; I191-S194 PolarHBondContact O-N 2.95Å; S194-Q196 PolarHBondContact O-N 3.11Å; S194-Q196 WeakPolarHBondContact OG-CB 3.29Å; S194-Q196 WeakPolarHBondContact OG-CG 3.41Å; S194-Q196 PolarHBondContact OG-N 2.98Å; S194-Q196 VanDerWaalsContact OG-N 3.14Å; S194-Q197 VanDerWaalsContact O-CG 3.23Å; S194-Q197 WeakPolarHBondContact O-CG 3.04Å
195E81.4Confident94.2Very high144 Ų14443.6 Ų43.667%0.67321%0.208SC*.THydrogen-bonded Turntrans-71.9-11.1168.8-71.5-65.4136.600112.7Q197 K198E195-Q197 PolarHBondContact O-N 2.81Å; E195-K198 PolarHBondContact O-N 3.2Å; E195-K198 IonicContact OE2-NZ 3.28Å; E195-K198 PolarHBondContact OE2-NZ 3.03Å
196Q84.9Confident94.1Very high21 Ų2148.9 Ų48.910%0.09823%0.233CC..THydrogen-bonded Turntrans-56.9-15.1174.2-75.7176.9-2.900113.3A167 I191 S194 K198 L199 V200A167-Q196 VanDerWaalsContact C-NE2 3.26Å; A167-Q196 PolarHBondContact O-NE2 3.31Å; I191-Q196 HydrophobicContact CD1-CB 3.41Å; I191-Q196 VanDerWaalsContact CD1-CB 3.41Å; S194-Q196 PolarHBondContact O-N 3.11Å; S194-Q196 WeakPolarHBondContact OG-CB 3.29Å; S194-Q196 WeakPolarHBondContact OG-CG 3.41Å; S194-Q196 PolarHBondContact OG-N 2.98Å; S194-Q196 VanDerWaalsContact OG-N 3.14Å; Q196-K198 PolarHBondContact O-N 2.9Å; Q196-L199 WeakPolarHBondContact O-CA 3.11Å; Q196-L199 VanDerWaalsContact O-CB 3.29Å; Q196-L199 WeakPolarHBondContact O-CB 3.47Å; Q196-L199 PolarHBondContact O-N 2.93Å; Q196-V200 PolarHBondContact O-N 2.9Å
197Q89.8Confident94.1Very high74 Ų7449.6 Ų49.635%0.34624%0.237SC..Hα-helixtrans-51.9-39.1174.9-66.2-17510.800112.9I191 T192 S194 E195 L199 K201 Y236I191-Q197 HydrophobicContact CD1-CG 4.12Å; I191-Q197 HydrophobicContact CG1-CG 4.46Å; I191-Q197 VanDerWaalsContact O-CG 3.23Å; I191-Q197 WeakPolarHBondContact O-CG 3.23Å; I191-Q197 PolarHBondContact O-NE2 2.81Å; T192-Q197 PolarHBondContact O-NE2 2.91Å; S194-Q197 VanDerWaalsContact O-CG 3.23Å; S194-Q197 WeakPolarHBondContact O-CG 3.04Å; E195-Q197 PolarHBondContact O-N 2.81Å; Q197-L199 VanDerWaalsContact C-N 3.31Å; Q197-L199 PolarHBondContact O-N 2.75Å; Q197-K201 PolarHBondContact O-N 2.98Å; Q197-Y236 WeakPolarHBondContact CB-OH 3.46Å; Q197-Y236 HydrophobicContact CG-CE1 4.38Å; Q197-Y236 HydrophobicContact CG-CE2 4.13Å; Q197-Y236 WeakPolarHBondContact CG-OH 3.23Å
198K90.1Very high94.1Very high131 Ų13149.4 Ų49.457%0.5724%0.236SC*.Hα-helixtrans-66.8-34.1177.4-69.9168.1-177.3149.70112.3E195 Q196E195-K198 PolarHBondContact O-N 3.2Å; E195-K198 IonicContact OE2-NZ 3.28Å; E195-K198 PolarHBondContact OE2-NZ 3.03Å; Q196-K198 PolarHBondContact O-N 2.9Å
199L92.8Very high94.2Very high11 Ų1149.4 Ų49.46%0.05824%0.236CC..Hα-helixtrans-71.1-51.7178.2172.868.9000110.6F168 P172 A175 Q196 Q197 K201 Q202 L203F168-L199 HydrophobicContact CB-CD2 4.14Å; F168-L199 HydrophobicContact CD1-CD1 4.37Å; F168-L199 HydrophobicContact CD1-CD2 3.75Å; F168-L199 HydrophobicContact CG-CD2 4.44Å; F168-L199 VanDerWaalsContact O-CD2 3.28Å; F168-L199 WeakPolarHBondContact O-CD2 3.32Å; P172-L199 HydrophobicContact CB-CD1 4.41Å; A175-L199 HydrophobicContact CB-CD1 3.29Å; Q196-L199 WeakPolarHBondContact O-CA 3.11Å; Q196-L199 VanDerWaalsContact O-CB 3.29Å; Q196-L199 WeakPolarHBondContact O-CB 3.47Å; Q196-L199 PolarHBondContact O-N 2.93Å; Q197-L199 VanDerWaalsContact C-N 3.31Å; Q197-L199 PolarHBondContact O-N 2.75Å; L199-K201 PolarHBondContact O-N 3.49Å; L199-Q202 PolarHBondContact O-N 3.3Å; L199-L203 HydrophobicContact CD1-CD1 3.96Å; L199-L203 HydrophobicContact CD1-CD2 4.32Å; L199-L203 HydrophobicContact CD1-CG 3.89Å; L199-L203 HydrophobicContact CD2-CD1 4.18Å; L199-L203 HydrophobicContact CG-CD1 3.72Å; L199-L203 HydrophobicContact CG-CG 4.1Å; L199-L203 PolarHBondContact O-N 2.73Å
200V94.6Very high94.2Very high1 Ų149.5 Ų49.51%0.00624%0.236CC..Hα-helixtrans-56.8-38.7-178.71750000111.2V187 I191 Q196 Q202 I208 Y236 I237 K241V187-V200 HydrophobicContact CG1-CG2 3.88Å; V187-V200 HydrophobicContact CG2-CG2 3.78Å; I191-V200 HydrophobicContact CD1-CG2 3.64Å; I191-V200 HydrophobicContact CG1-CG2 4.17Å; Q196-V200 PolarHBondContact O-N 2.9Å; V200-Q202 VanDerWaalsContact C-N 3.26Å; V200-Q202 PolarHBondContact O-N 3.34Å; V200-I208 HydrophobicContact CG1-CD1 4.49Å; V200-Y236 HydrophobicContact CB-CE1 4.32Å; V200-Y236 HydrophobicContact CG1-CD1 4.4Å; V200-Y236 HydrophobicContact CG1-CE1 4.17Å; V200-I237 HydrophobicContact CG1-CG1 3.92Å; V200-K241 WeakPolarHBondContact O-CE 3.15Å; V200-K241 PolarHBondContact O-NZ 3.12Å
201K94.4Very high94.2Very high156 Ų15649.3 Ų49.368%0.67824%0.235SC*.Hα-helixtrans-58.2-37.1175.9-170.5172.9-179.1175.90112.9Q197 L199 V240 K241Q197-K201 PolarHBondContact O-N 2.98Å; L199-K201 PolarHBondContact O-N 3.49Å; K201-V240 HydrophobicContact CB-CG1 3.91Å; K201-V240 HydrophobicContact CG-CG1 4.18Å; K201-K241 PolarHBondContact O-NZ 3.22Å
202Q96.1Very high94.3Very high109 Ų10949.3 Ų49.351%0.50924%0.235SC..Hα-helixtrans-89.8-29.3-175.3-66.5-176.251.700114.1P172 L199 V200P172-Q202 HydrophobicContact CB-CB 4.31Å; P172-Q202 HydrophobicContact CB-CG 4.35Å; P172-Q202 VanDerWaalsContact CB-OE1 3.25Å; L199-Q202 PolarHBondContact O-N 3.3Å; V200-Q202 VanDerWaalsContact C-N 3.26Å; V200-Q202 PolarHBondContact O-N 3.34Å
203L97.4Very high94.7Very high2 Ų246.7 Ų46.71%0.0122%0.218CC..SBendtrans-64.6133.6-179.8-77.6174.4000112A175 V179 F185 L199 I208 K241A175-L203 HydrophobicContact CB-CD2 4.16Å; V179-L203 HydrophobicContact CG2-CD2 3.62Å; F185-L203 HydrophobicContact CB-CD1 3.67Å; F185-L203 HydrophobicContact CD2-CD1 4.27Å; F185-L203 HydrophobicContact CD2-CD2 3.66Å; F185-L203 HydrophobicContact CE2-CD2 3.96Å; F185-L203 HydrophobicContact CG-CD1 3.91Å; F185-L203 HydrophobicContact CG-CD2 4.07Å; L199-L203 HydrophobicContact CD1-CD1 3.96Å; L199-L203 HydrophobicContact CD1-CD2 4.32Å; L199-L203 HydrophobicContact CD1-CG 3.89Å; L199-L203 HydrophobicContact CD2-CD1 4.18Å; L199-L203 HydrophobicContact CG-CD1 3.72Å; L199-L203 HydrophobicContact CG-CG 4.1Å; L199-L203 PolarHBondContact O-N 2.73Å; L203-I208 HydrophobicContact CB-CD1 3.9Å; L203-I208 HydrophobicContact CB-CG1 3.91Å; L203-I208 HydrophobicContact CD1-CG1 4.33Å; L203-K241 WeakPolarHBondContact O-CE 3.32Å; L203-K241 PolarHBondContact O-NZ 3.21Å
204P98.3Very high95Very high42 Ų4242 Ų4227%0.27320%0.2SC..  trans-60.8141.5169.9-21.233.3000111V179 E206 N207 I208V179-P204 HydrophobicContact CG1-CG 4.05Å; P204-E206 HydrophobicContact CB-CG 4.17Å; P204-E206 PolarHBondContact O-N 2.71Å; P204-N207 PolarHBondContact O-N 2.63Å; P204-I208 WeakPolarHBondContact O-CG1 3.49Å
205L98.6Very high95.5Very high19 Ų1941.8 Ų41.810%0.09920%0.198CC..G310 helixtrans-60.2-31.6178.2-173.762.2000111.5N207 I208 I237 V243 T247 V251 T252 N255L205-N207 PolarHBondContact O-N 3.29Å; L205-N207 VanDerWaalsContact O-N 3.09Å; L205-I208 PolarHBondContact O-N 3.36Å; L205-I208 VanDerWaalsContact O-N 3.08Å; L205-I237 HydrophobicContact CD1-CG2 3.74Å; L205-V243 HydrophobicContact CD2-CG2 4.18Å; L205-T247 HydrophobicContact CD2-CG2 4.27Å; L205-V251 HydrophobicContact CB-CG1 4.48Å; L205-V251 HydrophobicContact CD2-CB 4.09Å; L205-V251 HydrophobicContact CD2-CG1 4.21Å; L205-V251 HydrophobicContact CD2-CG2 4.15Å; L205-V251 HydrophobicContact CG-CB 4.08Å; L205-V251 HydrophobicContact CG-CG1 3.75Å; L205-T252 HydrophobicContact CD1-CG2 4.46Å; L205-N255 PolarHBondContact O-ND2 2.86Å
206E98.3Very high96.2Very high112 Ų11237.1 Ų37.152%0.52318%0.184SC..G310 helixtrans-62-11.4175.3-10.7-70.2168.300114.7F184 P204 N255F184-E206 WeakPolarHBondContact CE1-O 3.43Å; P204-E206 HydrophobicContact CB-CG 4.17Å; P204-E206 PolarHBondContact O-N 2.71Å; E206-N255 VanDerWaalsContact C-ND2 3.28Å; E206-N255 PolarHBondContact O-ND2 2.87Å; E206-N255 PolarHBondContact O-OD1 2.78Å; E206-N255 VanDerWaalsContact O-OD1 3.07Å
207N98.6Very high96.8Very high20 Ų2038.2 Ų38.211%0.10719%0.191CC..G310 helixtrans-117.73.3178.9-69.388.9000112.3V179 Y183 F184 F185 P204 L205V179-N207 HydrophobicContact CG2-CB 4.23Å; Y183-N207 PolarHBondContact O-ND2 3.48Å; F184-N207 CarbonylContact C-O 3.44Å; F184-N207 WeakPolarHBondContact CA-O 3.49Å; F185-N207 PolarHBondContact N-O 3.48Å; P204-N207 PolarHBondContact O-N 2.63Å; L205-N207 PolarHBondContact O-N 3.29Å; L205-N207 VanDerWaalsContact O-N 3.09Å
208I98.8Very high97.2Very high0 Ų034.8 Ų34.80%018%0.175CC..EExtended strand (participates in β ladder)trans-96.2132.1179.4-65.5172.2000109.7F185 V187 V200 L203 P204 L205 I237 T252 N255F185-I208 CarbonylContact O-C 3.03Å; F185-I208 WeakPolarHBondContact O-CA 3.34Å; V187-I208 HydrophobicContact CG2-CG2 3.95Å; V200-I208 HydrophobicContact CG1-CD1 4.49Å; L203-I208 HydrophobicContact CB-CD1 3.9Å; L203-I208 HydrophobicContact CB-CG1 3.91Å; L203-I208 HydrophobicContact CD1-CG1 4.33Å; P204-I208 WeakPolarHBondContact O-CG1 3.49Å; L205-I208 PolarHBondContact O-N 3.36Å; L205-I208 VanDerWaalsContact O-N 3.08Å; I208-I237 HydrophobicContact CG2-CD1 3.75Å; I208-T252 HydrophobicContact CG2-CG2 4.22Å; I208-T252 WeakPolarHBondContact O-CG2 3.4Å; I208-N255 PolarHBondContact O-ND2 3.2Å
209C98.8Very high97.5Very high0 Ų030.4 Ų30.40%016%0.161CC..EExtended strand (participates in β ladder)trans-112169.8165.2-71.50000109.5C7 L164 F185 S186 V187C7-C209 HydrophobicContact CB-CB 4.44Å; L164-C209 HydrophobicContact CD1-CB 3.92Å; F185-C209 PolarHBondContact O-N 3.36Å; S186-C209 WeakPolarHBondContact CA-O 3.47Å; V187-C209 PolarHBondContact N-O 3.15Å
210L98.8Very high97.6Very high1 Ų136.3 Ų36.31%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-105.6145.8172.9-55.1175.4000109.2Y4 C7 I230 A234 I237 T252Y4-L210 HydrophobicContact CD1-CD1 3.66Å; Y4-L210 HydrophobicContact CE1-CD1 4.4Å; C7-L210 WeakPolarHBondContact CB-O 3.36Å; C7-L210 PolarHBondContact N-O 3.32Å; C7-L210 PolarHBondContact SG-O 3.28Å; C7-L210 VanDerWaalsContact SG-O 3.42Å; L210-I230 HydrophobicContact CB-CD1 3.48Å; L210-I230 VanDerWaalsContact CB-CD1 3.48Å; L210-I230 HydrophobicContact CB-CG1 3.79Å; L210-I230 HydrophobicContact CD1-CG1 4.18Å; L210-A234 HydrophobicContact CD1-CB 4Å; L210-A234 HydrophobicContact CD2-CB 4.37Å; L210-I237 HydrophobicContact CD2-CD1 3.46Å; L210-I237 VanDerWaalsContact CD2-CD1 3.46Å; L210-T252 HydrophobicContact CD2-CG2 4.12Å; L210-T252 HydrophobicContact CG-CG2 4.01Å
211E98.9Very high97.5Very high0 Ų043.4 Ų43.40%022%0.218CC..  trans-144.5168.1169.367.3-171.3178.400110.3D6 H8 H166 A167 S186 V187 P188 P189 I230D6-E211 WeakPolarHBondContact OD1-CA 3.22Å; H8-E211 HydrophobicContact CB-CB 3.83Å; H8-E211 WeakPolarHBondContact CB-OE2 3.48Å; H8-E211 IonicContact CG-OE2 3.59Å; H166-E211 WeakPolarHBondContact CB-OE2 3.4Å; H166-E211 IonicContact ND1-OE2 2.63Å; A167-E211 WeakPolarHBondContact CA-OE1 3.38Å; A167-E211 WeakPolarHBondContact CB-OE1 3.3Å; A167-E211 PolarHBondContact N-OE1 3.02Å; S186-E211 VanDerWaalsContact CB-CD 3.45Å; S186-E211 WeakPolarHBondContact CB-OE2 3.26Å; S186-E211 VanDerWaalsContact OG-CD 3.26Å; S186-E211 PolarHBondContact OG-OE2 2.99Å; V187-E211 PolarHBondContact O-N 3.48Å; P188-E211 WeakPolarHBondContact CA-O 3.49Å; P188-E211 HydrophobicContact CB-CG 3.95Å; P188-E211 VanDerWaalsContact CD-OE1 3.25Å; P188-E211 WeakPolarHBondContact CD-OE1 3.37Å; P189-E211 WeakPolarHBondContact CD-O 3.46Å; E211-I230 VanDerWaalsContact O-CD1 3.28Å; E211-I230 WeakPolarHBondContact O-CD1 3.31Å
212T98.8Very high97.4Very high0 Ų045.9 Ų45.90%023%0.232CC..  trans-111.6-29.5163.163.90000114.9D6 P189 S214 N225 P227 I230D6-T212 PolarHBondContact OD1-N 3.45Å; D6-T212 WeakPolarHBondContact OD2-CB 3.45Å; D6-T212 WeakPolarHBondContact OD2-CG2 3.28Å; D6-T212 PolarHBondContact OD2-N 3.28Å; D6-T212 PolarHBondContact OD2-OG1 3.44Å; P189-T212 HydrophobicContact CG-CG2 4.06Å; T212-S214 VanDerWaalsContact CB-OG 3.27Å; T212-S214 WeakPolarHBondContact CB-OG 3.31Å; T212-S214 PolarHBondContact O-N 3.01Å; T212-S214 WeakPolarHBondContact OG1-CB 3.22Å; T212-S214 PolarHBondContact OG1-N 2.77Å; T212-S214 PolarHBondContact OG1-OG 2.7Å; T212-N225 PolarHBondContact O-ND2 2.76Å; T212-P227 WeakPolarHBondContact CG2-O 3.28Å; T212-I230 HydrophobicContact CG2-CB 4.03Å; T212-I230 HydrophobicContact CG2-CD1 3.85Å
213D98.6Very high97.4Very high9 Ų944.4 Ų44.45%0.04823%0.231CC..  trans54.928.6-165.8-168.632.9000112.1H8 H10 A216 L217H8-D213 IonicContact CD2-OD1 2.67Å; H8-D213 PolarHBondContact CD2-OD1 3.31Å; H8-D213 IonicContact NE2-OD1 2.64Å; H8-D213 PolarHBondContact NE2-OD1 3Å; H8-D213 WeakPolarHBondContact O-CA 3.38Å; H8-D213 PolarHBondContact O-N 2.94Å; H10-D213 IonicContact CD2-OD1 2.59Å; H10-D213 PolarHBondContact CD2-OD1 3.33Å; H10-D213 VanDerWaalsContact CD2-OD1 3.28Å; H10-D213 IonicContact NE2-OD1 3.68Å; H10-D213 PolarHBondContact NE2-OD1 2.91Å; D213-A216 CarbonylContact C-O 3.6Å; D213-A216 CarbonylContact O-C 3.43Å; D213-A216 VanDerWaalsContact O-C 3.31Å; D213-A216 VanDerWaalsContact O-CA 3.25Å; D213-A216 WeakPolarHBondContact O-CA 3.37Å; D213-A216 WeakPolarHBondContact O-CB 3.34Å; D213-A216 PolarHBondContact O-N 3.26Å; D213-L217 HydrophobicContact CB-CB 4.06Å; D213-L217 HydrophobicContact CB-CD1 3.82Å; D213-L217 HydrophobicContact CB-CG 4.06Å; D213-L217 WeakPolarHBondContact OD2-CD1 3.38Å; D213-L217 WeakPolarHBondContact OD2-CG 3.4Å
214S98.6Very high97.4Very high0 Ų048.1 Ų48.10%025%0.245CC..THydrogen-bonded Turntrans-56.9134.7179.3-65.80000110.5H10 T212 E226H10-S214 CarbonylContact C-O 3.59Å; H10-S214 WeakPolarHBondContact CA-O 3.47Å; H10-S214 WeakPolarHBondContact CB-O 3.18Å; H10-S214 PolarHBondContact N-O 3.45Å; T212-S214 VanDerWaalsContact CB-OG 3.27Å; T212-S214 WeakPolarHBondContact CB-OG 3.31Å; T212-S214 PolarHBondContact O-N 3.01Å; T212-S214 WeakPolarHBondContact OG1-CB 3.22Å; T212-S214 PolarHBondContact OG1-N 2.77Å; T212-S214 PolarHBondContact OG1-OG 2.7Å; S214-E226 WeakPolarHBondContact OG-CA 3.4Å; S214-E226 PolarHBondContact OG-N 3.16Å
215P98.3Very high97.5Very high25 Ų2546.2 Ų46.216%0.16223%0.232CC..THydrogen-bonded Turncis-86.7-0.512.734.9-36000115A13 D15 F16 R224 N225A13-P215 HydrophobicContact CB-CG 3.93Å; D15-P215 HydrophobicContact CB-CB 3.87Å; D15-P215 HydrophobicContact CB-CG 4Å; F16-P215 HydrophobicContact CE2-CB 3.84Å; F16-P215 HydrophobicContact CE2-CG 4.28Å; F16-P215 HydrophobicContact CZ-CB 3.8Å; P215-R224 HydrophobicContact CB-CG 3.86Å; P215-N225 VanDerWaalsContact O-CB 3.31Å; P215-N225 WeakPolarHBondContact O-CB 3.34Å; P215-N225 PolarHBondContact O-N 3.48Å
216A97.6Very high97.5Very high46 Ų4646.4 Ų46.438%0.3823%0.232SC..SBendtrans-87.9-178.4179.900000112.7D213 G218 N225D213-A216 CarbonylContact C-O 3.6Å; D213-A216 CarbonylContact O-C 3.43Å; D213-A216 VanDerWaalsContact O-C 3.31Å; D213-A216 VanDerWaalsContact O-CA 3.25Å; D213-A216 WeakPolarHBondContact O-CA 3.37Å; D213-A216 WeakPolarHBondContact O-CB 3.34Å; D213-A216 PolarHBondContact O-N 3.26Å; A216-G218 PolarHBondContact O-N 3.29Å; A216-N225 WeakPolarHBondContact O-CB 3.38Å; A216-N225 PolarHBondContact O-ND2 2.99Å
217L97Very high97.5Very high44 Ų4441 Ų4123%0.2321%0.207CC..SBendtrans46.835.6174.3-53-174000116.6A167 P188 S190 D213A167-L217 HydrophobicContact CB-CD1 3.55Å; P188-L217 HydrophobicContact CB-CB 3.85Å; P188-L217 HydrophobicContact CB-CD1 4.12Å; P188-L217 HydrophobicContact CG-CB 4.26Å; P188-L217 HydrophobicContact CG-CD1 3.89Å; S190-L217 WeakPolarHBondContact CB-O 3.43Å; S190-L217 PolarHBondContact N-O 3.46Å; S190-L217 PolarHBondContact OG-O 3.4Å; D213-L217 HydrophobicContact CB-CB 4.06Å; D213-L217 HydrophobicContact CB-CD1 3.82Å; D213-L217 HydrophobicContact CB-CG 4.06Å; D213-L217 WeakPolarHBondContact OD2-CD1 3.38Å; D213-L217 WeakPolarHBondContact OD2-CG 3.4Å
218G97.4Very high97.5Very high2 Ų245.1 Ų45.12%0.02122%0.221CC..  trans-71.3169.7172.800000114.4S190 R193 A216 E220 N225S190-G218 WeakPolarHBondContact CA-O 3.4Å; S190-G218 WeakPolarHBondContact CB-O 3.12Å; R193-G218 PolarHBondContact NE-O 3.45Å; R193-G218 VanDerWaalsContact NE-O 3.17Å; R193-G218 PolarHBondContact NH2-O 2.87Å; A216-G218 PolarHBondContact O-N 3.29Å; G218-E220 PolarHBondContact O-N 2.78Å; G218-N225 WeakPolarHBondContact CA-ND2 3.33Å; G218-N225 WeakPolarHBondContact CA-OD1 3.46Å; G218-N225 PolarHBondContact N-ND2 3.18Å
219P96.1Very high97.5Very high40 Ų4047.1 Ų47.126%0.2623%0.232SC..SBendtrans-56.3-39.4175.9-21.532.9000111.7P189 R193 V232P189-P219 HydrophobicContact CB-CG 3.83Å; R193-P219 WeakPolarHBondContact CD-O 3.42Å; R193-P219 PolarHBondContact NE-O 3.47Å; P219-V232 HydrophobicContact CG-CG1 4.35Å; P219-V232 HydrophobicContact CG-CG2 4.2Å
220E95.7Very high97.4Very high134 Ų13447.1 Ų47.163%0.62623%0.232SC*.SBendtrans-99.5145.2178-64.9-178.2-135.200111.2G218 V223G218-E220 PolarHBondContact O-N 2.78Å; E220-V223 HydrophobicContact CB-CB 3.96Å; E220-V223 HydrophobicContact CB-CG2 3.81Å
221K92.4Very high97.4Very high150 Ų15048.8 Ų48.865%0.65224%0.244SC*.THydrogen-bonded Turntrans-79.1141.7175.6-71.7-175.4179.4-179.10109.3V223K221-V223 PolarHBondContact O-N 2.84Å
222Q92Very high97.4Very high208 Ų20850.4 Ų50.497%0.97225%0.253SS*.THydrogen-bonded Turntrans62.115.9176.8-55175.2-1200114.6
223V96.9Very high97.4Very high79 Ų7950.4 Ų50.448%0.47925%0.253SS..SBendtrans-110.9135.3171.5-179.80000107.6E220 K221 N225E220-V223 HydrophobicContact CB-CB 3.96Å; E220-V223 HydrophobicContact CB-CG2 3.81Å; K221-V223 PolarHBondContact O-N 2.84Å; V223-N225 PolarHBondContact O-N 2.66Å
224R98Very high97.3Very high80 Ų8050 Ų5030%0.30225%0.251SS..  trans-56.7121.6177.9-171.2-175.672.6172.62.3109.3D15 F16 D19 P215 E226D15-R224 HydrophobicContact CB-CG 4.38Å; D15-R224 PolarHBondContact O-NH1 3.39Å; F16-R224 HydrophobicContact CE1-CG 4.26Å; F16-R224 HydrophobicContact CZ-CG 4.45Å; D19-R224 VanDerWaalsContact CG-NH1 3.32Å; D19-R224 IonicContact OD1-CZ 2.71Å; D19-R224 IonicContact OD1-NH1 3.99Å; D19-R224 PolarHBondContact OD1-NH1 3.32Å; D19-R224 IonicContact OD1-NH2 2.91Å; D19-R224 IonicContact OD2-CZ 3.78Å; D19-R224 VanDerWaalsContact OD2-CZ 3.28Å; D19-R224 IonicContact OD2-NH1 3.21Å; D19-R224 PolarHBondContact OD2-NH1 2.97Å; D19-R224 IonicContact OD2-NH2 3.78Å; D19-R224 PolarHBondContact OD2-NH2 2.86Å; P215-R224 HydrophobicContact CB-CG 3.86Å; R224-E226 IonicContact CZ-OE1 3.48Å; R224-E226 IonicContact NE-OE1 3.15Å; R224-E226 IonicContact NH2-OE1 3.36Å; R224-E226 PolarHBondContact NH2-OE1 2.92Å
225N98.6Very high97.3Very high1 Ų154.1 Ų54.11%0.00527%0.27CS..  trans-79.8154.3172.3-165.824.8000110.6F16 T212 P215 A216 G218 V223 N229F16-N225 WeakPolarHBondContact CZ-O 3.41Å; T212-N225 PolarHBondContact O-ND2 2.76Å; P215-N225 VanDerWaalsContact O-CB 3.31Å; P215-N225 WeakPolarHBondContact O-CB 3.34Å; P215-N225 PolarHBondContact O-N 3.48Å; A216-N225 WeakPolarHBondContact O-CB 3.38Å; A216-N225 PolarHBondContact O-ND2 2.99Å; G218-N225 WeakPolarHBondContact CA-ND2 3.33Å; G218-N225 WeakPolarHBondContact CA-OD1 3.46Å; G218-N225 PolarHBondContact N-ND2 3.18Å; V223-N225 PolarHBondContact O-N 2.66Å; N225-N229 WeakPolarHBondContact OD1-CB 3.16Å; N225-N229 PolarHBondContact OD1-ND2 2.9Å
226E98.5Very high97.3Very high23 Ų2354.8 Ų54.811%0.10727%0.27CS..  trans-134.2151.2177.4-71.9174.7-168.700110.6F16 S214 R224 R228 N229F16-E226 HydrophobicContact CE1-CG 4.23Å; S214-E226 WeakPolarHBondContact OG-CA 3.4Å; S214-E226 PolarHBondContact OG-N 3.16Å; R224-E226 IonicContact CZ-OE1 3.48Å; R224-E226 IonicContact NE-OE1 3.15Å; R224-E226 IonicContact NH2-OE1 3.36Å; R224-E226 PolarHBondContact NH2-OE1 2.92Å; E226-R228 HydrophobicContact CB-CG 4.03Å; E226-R228 PolarHBondContact O-N 2.92Å; E226-R228 VanDerWaalsContact O-N 3.07Å; E226-R228 IonicContact OE1-NH2 3.61Å; E226-R228 IonicContact OE2-CZ 3.86Å; E226-R228 IonicContact OE2-NE 2.9Å; E226-R228 PolarHBondContact OE2-NE 3.36Å; E226-R228 IonicContact OE2-NH2 3.95Å; E226-R228 PolarHBondContact OE2-NH2 2.94Å; E226-N229 VanDerWaalsContact O-CB 3.31Å; E226-N229 WeakPolarHBondContact O-CB 3.24Å; E226-N229 PolarHBondContact O-N 3.06Å
227P98.7Very high97.4Very high0 Ų052.6 Ų52.60%025%0.252CS..G310 helixtrans-59.5-26.6-176.1-24.632.8000114.8I11 V23 L32 L35 T212 N229 I230I11-P227 HydrophobicContact CD1-CG 4.43Å; V23-P227 HydrophobicContact CG1-CG 4.4Å; L32-P227 HydrophobicContact CD2-CB 3.82Å; L35-P227 HydrophobicContact CD1-CG 4.5Å; L35-P227 HydrophobicContact CD2-CB 3.41Å; L35-P227 VanDerWaalsContact CD2-CB 3.41Å; L35-P227 HydrophobicContact CD2-CG 3.75Å; T212-P227 WeakPolarHBondContact CG2-O 3.28Å; P227-N229 PolarHBondContact O-N 2.93Å; P227-I230 WeakPolarHBondContact O-CB 3.25Å; P227-I230 PolarHBondContact O-N 3.06Å
228R98.4Very high97.4Very high106 Ų10651.5 Ų51.540%0.425%0.248SC..G310 helixtrans-56.9-21.7172.963.8171.6166.4175.5-4.5113.9A30 E226 I230 C231A30-R228 HydrophobicContact CB-CB 3.77Å; E226-R228 HydrophobicContact CB-CG 4.03Å; E226-R228 PolarHBondContact O-N 2.92Å; E226-R228 VanDerWaalsContact O-N 3.07Å; E226-R228 IonicContact OE1-NH2 3.61Å; E226-R228 IonicContact OE2-CZ 3.86Å; E226-R228 IonicContact OE2-NE 2.9Å; E226-R228 PolarHBondContact OE2-NE 3.36Å; E226-R228 IonicContact OE2-NH2 3.95Å; E226-R228 PolarHBondContact OE2-NH2 2.94Å; R228-I230 PolarHBondContact O-N 3.17Å; R228-C231 PolarHBondContact O-SG 3.31Å; R228-C231 VanDerWaalsContact O-SG 3.4Å
229N98.6Very high97.5Very high41 Ų4158.9 Ų58.922%0.21928%0.279CS..G310 helixtrans-73.2-0.9177.6-67.8-24.9000113.4P189 N225 E226 P227 C231 V232P189-N229 HydrophobicContact CB-CB 4.19Å; P189-N229 HydrophobicContact CG-CB 3.85Å; P189-N229 WeakPolarHBondContact CG-O 3.41Å; N225-N229 WeakPolarHBondContact OD1-CB 3.16Å; N225-N229 PolarHBondContact OD1-ND2 2.9Å; E226-N229 VanDerWaalsContact O-CB 3.31Å; E226-N229 WeakPolarHBondContact O-CB 3.24Å; E226-N229 PolarHBondContact O-N 3.06Å; P227-N229 PolarHBondContact O-N 2.93Å; N229-C231 PolarHBondContact O-N 3.17Å; N229-C231 VanDerWaalsContact O-N 3.09Å; N229-V232 HydrophobicContact CB-CG2 4.49Å; N229-V232 VanDerWaalsContact O-CB 3.26Å; N229-V232 WeakPolarHBondContact O-CB 3.37Å; N229-V232 WeakPolarHBondContact O-CG2 3.5Å; N229-V232 PolarHBondContact O-N 3.47Å
230I98.6Very high97.5Very high0 Ų059.3 Ų59.30%028%0.281CS..Hα-helixtrans-51.8-31173.7-15868.8000112.8Y4 D6 L32 L210 E211 T212 P227 R228 V232 S233 A234Y4-I230 HydrophobicContact CD1-CG2 4.21Å; Y4-I230 HydrophobicContact CD2-CG2 3.72Å; Y4-I230 HydrophobicContact CE2-CG2 4.43Å; Y4-I230 HydrophobicContact CG-CG1 4.49Å; Y4-I230 HydrophobicContact CG-CG2 3.6Å; D6-I230 HydrophobicContact CB-CD1 4.08Å; L32-I230 HydrophobicContact CD1-CB 4.5Å; L32-I230 HydrophobicContact CD1-CG2 3.51Å; L32-I230 HydrophobicContact CD2-CG2 4.49Å; L32-I230 HydrophobicContact CG-CG2 3.96Å; L210-I230 HydrophobicContact CB-CD1 3.48Å; L210-I230 VanDerWaalsContact CB-CD1 3.48Å; L210-I230 HydrophobicContact CB-CG1 3.79Å; L210-I230 HydrophobicContact CD1-CG1 4.18Å; E211-I230 VanDerWaalsContact O-CD1 3.28Å; E211-I230 WeakPolarHBondContact O-CD1 3.31Å; T212-I230 HydrophobicContact CG2-CB 4.03Å; T212-I230 HydrophobicContact CG2-CD1 3.85Å; P227-I230 WeakPolarHBondContact O-CB 3.25Å; P227-I230 PolarHBondContact O-N 3.06Å; R228-I230 PolarHBondContact O-N 3.17Å; I230-V232 PolarHBondContact O-N 3.08Å; I230-S233 WeakPolarHBondContact O-CB 3.04Å; I230-S233 PolarHBondContact O-N 3.19Å; I230-A234 PolarHBondContact O-N 2.73Å
231C97.9Very high97.6Very high37 Ų3755.5 Ų55.525%0.2526%0.263CS..Hα-helixtrans-61.6-33177.660.10000112.2R228 N229 S233 A234 E235R228-C231 PolarHBondContact O-SG 3.31Å; R228-C231 VanDerWaalsContact O-SG 3.4Å; N229-C231 PolarHBondContact O-N 3.17Å; N229-C231 VanDerWaalsContact O-N 3.09Å; C231-S233 VanDerWaalsContact C-N 3.34Å; C231-S233 PolarHBondContact O-N 3.13Å; C231-A234 PolarHBondContact O-N 3.43Å; C231-E235 WeakPolarHBondContact O-CB 3.02Å; C231-E235 WeakPolarHBondContact O-CG 3.34Å; C231-E235 PolarHBondContact O-N 2.82Å
232V98.4Very high97.9Very high34 Ų3451.8 Ų51.821%0.20627%0.267CS..Hα-helixtrans-62.1-43.4177.4178.80000110.6P189 T192 P219 N229 I230 Y236P189-V232 HydrophobicContact CB-CB 4.08Å; P189-V232 HydrophobicContact CB-CG1 4.22Å; T192-V232 HydrophobicContact CG2-CG1 3.58Å; P219-V232 HydrophobicContact CG-CG1 4.35Å; P219-V232 HydrophobicContact CG-CG2 4.2Å; N229-V232 HydrophobicContact CB-CG2 4.49Å; N229-V232 VanDerWaalsContact O-CB 3.26Å; N229-V232 WeakPolarHBondContact O-CB 3.37Å; N229-V232 WeakPolarHBondContact O-CG2 3.5Å; N229-V232 PolarHBondContact O-N 3.47Å; I230-V232 PolarHBondContact O-N 3.08Å; V232-Y236 WeakPolarHBondContact O-CB 3.35Å; V232-Y236 PolarHBondContact O-N 3.3Å
233S98.4Very high98.2Very high0 Ų044.4 Ų44.40%024%0.236CC..Hα-helixtrans-62.3-47.6174.7-61.10000111.1V187 P188 P189 I230 C231 Y236 I237V187-S233 VanDerWaalsContact O-CB 3.26Å; V187-S233 WeakPolarHBondContact O-CB 3.31Å; V187-S233 PolarHBondContact O-OG 3.44Å; P188-S233 PolarHBondContact O-OG 3.45Å; P189-S233 WeakPolarHBondContact CA-OG 3.12Å; P189-S233 VanDerWaalsContact N-OG 3.09Å; I230-S233 WeakPolarHBondContact O-CB 3.04Å; I230-S233 PolarHBondContact O-N 3.19Å; C231-S233 VanDerWaalsContact C-N 3.34Å; C231-S233 PolarHBondContact O-N 3.13Å; S233-Y236 PolarHBondContact O-N 3.19Å; S233-I237 WeakPolarHBondContact O-CD1 3.14Å; S233-I237 VanDerWaalsContact O-CG1 3.29Å; S233-I237 WeakPolarHBondContact O-CG1 3.18Å; S233-I237 PolarHBondContact O-N 3.49Å
234A98.4Very high98.2Very high0 Ų043.6 Ų43.60%023%0.233CC..Hα-helixtrans-62.9-44.5-178.200000112.4Y4 L210 I230 C231 Y236 I237 S238 L245 V248Y4-A234 HydrophobicContact CD1-CB 4.27Å; Y4-A234 HydrophobicContact CE1-CB 3.62Å; L210-A234 HydrophobicContact CD1-CB 4Å; L210-A234 HydrophobicContact CD2-CB 4.37Å; I230-A234 PolarHBondContact O-N 2.73Å; C231-A234 PolarHBondContact O-N 3.43Å; A234-Y236 PolarHBondContact O-N 3.45Å; A234-I237 PolarHBondContact O-N 3.24Å; A234-S238 WeakPolarHBondContact O-CB 3.43Å; A234-S238 PolarHBondContact O-N 3.39Å; A234-L245 HydrophobicContact CB-CD1 3.6Å; A234-V248 HydrophobicContact CB-CG1 4.15Å
235E98.3Very high98.2Very high86 Ų8642.4 Ų42.440%0.40223%0.233SC..Hα-helixtrans-62.7-41.1175.6-75.4-178.2-166.800112.2C231 S238 K239 L245C231-E235 WeakPolarHBondContact O-CB 3.02Å; C231-E235 WeakPolarHBondContact O-CG 3.34Å; C231-E235 PolarHBondContact O-N 2.82Å; E235-S238 PolarHBondContact O-N 3.22Å; E235-K239 WeakPolarHBondContact O-CG 3.46Å; E235-K239 PolarHBondContact O-N 3.24Å; E235-K239 VanDerWaalsContact O-N 3.09Å; E235-K239 IonicContact OE2-NZ 2.71Å; E235-L245 HydrophobicContact CG-CD1 4.28Å; E235-L245 HydrophobicContact CG-CD2 4.37Å
236Y98.4Very high98.2Very high39 Ų3947.1 Ų47.115%0.15326%0.255CS..Hα-helixtrans-62.3-47.8176.3-178.5-88.5000111.1I191 Q197 V200 V232 S233 A234 S238 K239 V240I191-Y236 HydrophobicContact CB-CD1 4.3Å; I191-Y236 HydrophobicContact CD1-CD1 4.47Å; I191-Y236 HydrophobicContact CD1-CE1 4.09Å; I191-Y236 HydrophobicContact CG1-CD1 3.36Å; I191-Y236 HydrophobicContact CG1-CD2 4.47Å; I191-Y236 HydrophobicContact CG1-CE1 3.38Å; I191-Y236 HydrophobicContact CG1-CE2 4.49Å; I191-Y236 HydrophobicContact CG1-CG 3.97Å; I191-Y236 HydrophobicContact CG2-CD1 3.9Å; I191-Y236 HydrophobicContact CG2-CD2 4.36Å; I191-Y236 HydrophobicContact CG2-CG 3.75Å; Q197-Y236 WeakPolarHBondContact CB-OH 3.46Å; Q197-Y236 HydrophobicContact CG-CE1 4.38Å; Q197-Y236 HydrophobicContact CG-CE2 4.13Å; Q197-Y236 WeakPolarHBondContact CG-OH 3.23Å; V200-Y236 HydrophobicContact CB-CE1 4.32Å; V200-Y236 HydrophobicContact CG1-CD1 4.4Å; V200-Y236 HydrophobicContact CG1-CE1 4.17Å; V232-Y236 WeakPolarHBondContact O-CB 3.35Å; V232-Y236 PolarHBondContact O-N 3.3Å; S233-Y236 PolarHBondContact O-N 3.19Å; A234-Y236 PolarHBondContact O-N 3.45Å; Y236-S238 VanDerWaalsContact C-N 3.35Å; Y236-S238 PolarHBondContact O-N 3.04Å; Y236-K239 PolarHBondContact O-N 2.68Å; Y236-V240 HydrophobicContact CD1-CG2 4.12Å; Y236-V240 HydrophobicContact CE1-CB 4.38Å; Y236-V240 HydrophobicContact CE1-CG2 3.51Å; Y236-V240 HydrophobicContact CE2-CG2 4.12Å; Y236-V240 VanDerWaalsContact CZ-CG2 3.47Å; Y236-V240 WeakPolarHBondContact O-CG2 3.48Å; Y236-V240 PolarHBondContact O-N 2.71Å
237I98.4Very high98.1Very high0 Ų048.4 Ų48.40%027%0.265CS..Hα-helixtrans-61-44.6178.1-67.3158000110.5V187 V200 L205 I208 L210 S233 A234 K239 V240 K241 V248V187-I237 HydrophobicContact CB-CD1 4.14Å; V187-I237 HydrophobicContact CG1-CD1 4.42Å; V187-I237 HydrophobicContact CG2-CD1 4.29Å; V200-I237 HydrophobicContact CG1-CG1 3.92Å; L205-I237 HydrophobicContact CD1-CG2 3.74Å; I208-I237 HydrophobicContact CG2-CD1 3.75Å; L210-I237 HydrophobicContact CD2-CD1 3.46Å; L210-I237 VanDerWaalsContact CD2-CD1 3.46Å; S233-I237 WeakPolarHBondContact O-CD1 3.14Å; S233-I237 VanDerWaalsContact O-CG1 3.29Å; S233-I237 WeakPolarHBondContact O-CG1 3.18Å; S233-I237 PolarHBondContact O-N 3.49Å; A234-I237 PolarHBondContact O-N 3.24Å; I237-K239 PolarHBondContact O-N 3.3Å; I237-V240 PolarHBondContact O-N 2.54Å; I237-K241 HydrophobicContact CG2-CG 3.9Å; I237-K241 VanDerWaalsContact O-CB 3.28Å; I237-K241 WeakPolarHBondContact O-CB 3.42Å; I237-K241 VanDerWaalsContact O-CG 3.31Å; I237-K241 WeakPolarHBondContact O-CG 3.44Å; I237-K241 PolarHBondContact O-N 3.14Å; I237-V248 HydrophobicContact CB-CG1 4.09Å; I237-V248 HydrophobicContact CB-CG2 4.45Å; I237-V248 HydrophobicContact CG2-CG1 3.91Å; I237-V248 HydrophobicContact CG2-CG2 3.95Å
238S98.4Very high98.1Very high21 Ų2148.4 Ų48.415%0.14727%0.265CS..Hα-helixtrans-55.2-49.6177.7166.90000111.4A234 E235 Y236 V240 K241 G242 V243 L245A234-S238 WeakPolarHBondContact O-CB 3.43Å; A234-S238 PolarHBondContact O-N 3.39Å; E235-S238 PolarHBondContact O-N 3.22Å; Y236-S238 VanDerWaalsContact C-N 3.35Å; Y236-S238 PolarHBondContact O-N 3.04Å; S238-V240 PolarHBondContact O-N 3.17Å; S238-K241 PolarHBondContact O-N 2.9Å; S238-G242 PolarHBondContact O-N 3.4Å; S238-V243 WeakPolarHBondContact CB-O 3.49Å; S238-V243 PolarHBondContact O-N 3Å; S238-V243 PolarHBondContact OG-O 3.08Å; S238-L245 PolarHBondContact OG-N 2.9Å
239K97.9Very high98.1Very high157 Ų15743.9 Ų43.968%0.68325%0.248SC*.Hα-helixtrans-61.5-45.3177.9-70.4166.6-174.9163.50112.1E235 Y236 I237E235-K239 WeakPolarHBondContact O-CG 3.46Å; E235-K239 PolarHBondContact O-N 3.24Å; E235-K239 VanDerWaalsContact O-N 3.09Å; E235-K239 IonicContact OE2-NZ 2.71Å; Y236-K239 PolarHBondContact O-N 2.68Å; I237-K239 PolarHBondContact O-N 3.3Å
240V97.1Very high98Very high50 Ų5045.4 Ų45.430%0.30325%0.254SS..Hα-helixtrans-73-32.7-176.81710000112.8K201 Y236 I237 S238K201-V240 HydrophobicContact CB-CG1 3.91Å; K201-V240 HydrophobicContact CG-CG1 4.18Å; Y236-V240 HydrophobicContact CD1-CG2 4.12Å; Y236-V240 HydrophobicContact CE1-CB 4.38Å; Y236-V240 HydrophobicContact CE1-CG2 3.51Å; Y236-V240 HydrophobicContact CE2-CG2 4.12Å; Y236-V240 VanDerWaalsContact CZ-CG2 3.47Å; Y236-V240 WeakPolarHBondContact O-CG2 3.48Å; Y236-V240 PolarHBondContact O-N 2.71Å; I237-V240 PolarHBondContact O-N 2.54Å; S238-V240 PolarHBondContact O-N 3.17Å
241K97.6Very high98Very high54 Ų5446.5 Ų46.524%0.23526%0.261CS..Hα-helixtrans-86.6-16.1179-65.7-65.7171.4-166.40113.6V200 K201 L203 I237 S238 V243V200-K241 WeakPolarHBondContact O-CE 3.15Å; V200-K241 PolarHBondContact O-NZ 3.12Å; K201-K241 PolarHBondContact O-NZ 3.22Å; L203-K241 WeakPolarHBondContact O-CE 3.32Å; L203-K241 PolarHBondContact O-NZ 3.21Å; I237-K241 HydrophobicContact CG2-CG 3.9Å; I237-K241 VanDerWaalsContact O-CB 3.28Å; I237-K241 WeakPolarHBondContact O-CB 3.42Å; I237-K241 VanDerWaalsContact O-CG 3.31Å; I237-K241 WeakPolarHBondContact O-CG 3.44Å; I237-K241 PolarHBondContact O-N 3.14Å; S238-K241 PolarHBondContact O-N 2.9Å; K241-V243 VanDerWaalsContact C-N 3.3Å; K241-V243 HydrophobicContact CB-CG1 4.47Å; K241-V243 HydrophobicContact CB-CG2 3.96Å
242G97.8Very high98.1Very high72 Ų7245 Ų4574%0.74225%0.25SC*.THydrogen-bonded Turntrans67.532.2-17700000112.7S238S238-G242 PolarHBondContact O-N 3.4Å
243V98.4Very high98Very high52 Ų5243.4 Ų43.432%0.31524%0.241SC..SBendtrans-120.7161.7176.9-57.90000109.8L205 S238 K241 T247 V248L205-V243 HydrophobicContact CD2-CG2 4.18Å; S238-V243 WeakPolarHBondContact CB-O 3.49Å; S238-V243 PolarHBondContact O-N 3Å; S238-V243 PolarHBondContact OG-O 3.08Å; K241-V243 VanDerWaalsContact C-N 3.3Å; K241-V243 HydrophobicContact CB-CG1 4.47Å; K241-V243 HydrophobicContact CB-CG2 3.96Å; V243-T247 HydrophobicContact CB-CG2 4.19Å; V243-T247 HydrophobicContact CG2-CG2 4.24Å; V243-V248 HydrophobicContact CG2-CG2 3.76Å
244S98.3Very high98Very high62 Ų6248.9 Ų48.943%0.43427%0.266SS..  trans-65.3155.4178.772.40000111.6E246 T247 V248S244-E246 PolarHBondContact O-N 2.78Å; S244-T247 PolarHBondContact O-N 2.91Å; S244-T247 PolarHBondContact OG-N 3.27Å; S244-T247 VanDerWaalsContact OG-N 3.1Å; S244-T247 PolarHBondContact OG-OG1 2.98Å; S244-V248 PolarHBondContact O-N 3.4Å
245L97.8Very high98Very high56 Ų5649 Ų4929%0.29327%0.267SS..Hα-helixtrans-58.8-38.8174.1179.661.4000111.3A234 E235 S238 T247 V248 M249A234-L245 HydrophobicContact CB-CD1 3.6Å; E235-L245 HydrophobicContact CG-CD1 4.28Å; E235-L245 HydrophobicContact CG-CD2 4.37Å; S238-L245 PolarHBondContact OG-N 2.9Å; L245-T247 PolarHBondContact O-N 2.81Å; L245-V248 WeakPolarHBondContact O-CB 3.29Å; L245-V248 PolarHBondContact O-N 2.91Å; L245-V248 VanDerWaalsContact O-N 3.12Å; L245-M249 HydrophobicContact CG-SD 4.3Å; L245-M249 WeakPolarHBondContact O-CG 3.21Å; L245-M249 PolarHBondContact O-N 3.08Å
246E97.3Very high98Very high100 Ų10045 Ų4547%0.46725%0.248SC..Hα-helixtrans-58.6-44.6174.9179.8170.9-146.600112H2 S244 V248 M249 E250H2-E246 IonicContact CE1-OE1 3.89Å; H2-E246 IonicContact ND1-OE1 3.33Å; S244-E246 PolarHBondContact O-N 2.78Å; E246-V248 VanDerWaalsContact C-N 3.3Å; E246-V248 PolarHBondContact O-N 2.71Å; E246-M249 WeakPolarHBondContact O-CB 3.46Å; E246-M249 PolarHBondContact O-N 2.84Å; E246-E250 HydrophobicContact CG-CG 4.48Å; E246-E250 WeakPolarHBondContact O-CG 3.45Å; E246-E250 PolarHBondContact O-N 2.94Å
247T98.1Very high97.9Very high50 Ų5044.4 Ų44.431%0.30725%0.247SC..Hα-helixtrans-60.7-39.2174.8-60.30000111.8L205 V243 S244 L245 V251L205-T247 HydrophobicContact CD2-CG2 4.27Å; V243-T247 HydrophobicContact CB-CG2 4.19Å; V243-T247 HydrophobicContact CG2-CG2 4.24Å; S244-T247 PolarHBondContact O-N 2.91Å; S244-T247 PolarHBondContact OG-N 3.27Å; S244-T247 VanDerWaalsContact OG-N 3.1Å; S244-T247 PolarHBondContact OG-OG1 2.98Å; L245-T247 PolarHBondContact O-N 2.81Å; T247-V251 HydrophobicContact CG2-CG2 4.17Å; T247-V251 WeakPolarHBondContact O-CB 3.37Å; T247-V251 VanDerWaalsContact O-CG2 3.29Å; T247-V251 WeakPolarHBondContact O-CG2 3.48Å; T247-V251 PolarHBondContact O-N 3.13Å
248V98.4Very high97.9Very high0 Ų051.7 Ų51.70%028%0.275CS..Hα-helixtrans-63.5-47.3175.6178.50000110.8A234 I237 V243 S244 L245 E246 E250 T252A234-V248 HydrophobicContact CB-CG1 4.15Å; I237-V248 HydrophobicContact CB-CG1 4.09Å; I237-V248 HydrophobicContact CB-CG2 4.45Å; I237-V248 HydrophobicContact CG2-CG1 3.91Å; I237-V248 HydrophobicContact CG2-CG2 3.95Å; V243-V248 HydrophobicContact CG2-CG2 3.76Å; S244-V248 PolarHBondContact O-N 3.4Å; L245-V248 WeakPolarHBondContact O-CB 3.29Å; L245-V248 PolarHBondContact O-N 2.91Å; L245-V248 VanDerWaalsContact O-N 3.12Å; E246-V248 VanDerWaalsContact C-N 3.3Å; E246-V248 PolarHBondContact O-N 2.71Å; V248-E250 PolarHBondContact O-N 3.47Å; V248-T252 HydrophobicContact CG1-CG2 4.03Å; V248-T252 VanDerWaalsContact O-CB 3.3Å; V248-T252 WeakPolarHBondContact O-CB 3.34Å; V248-T252 VanDerWaalsContact O-CG2 3.26Å; V248-T252 WeakPolarHBondContact O-CG2 3.28Å; V248-T252 PolarHBondContact O-N 2.86Å; V248-T252 PolarHBondContact O-OG1 3.07Å
249M97.8Very high97.9Very high10 Ų1050.8 Ų50.85%0.04927%0.268CS..Hα-helixtrans-57.4-49.1178.1-71.9172.462.100111.5G3 Y4 L245 E246 T252 T253G3-M249 VanDerWaalsContact CA-CE 3.45Å; G3-M249 VanDerWaalsContact N-CE 3.26Å; Y4-M249 HydrophobicContact CD1-CG 3.86Å; Y4-M249 HydrophobicContact CE1-CE 4.29Å; Y4-M249 HydrophobicContact CE1-CG 3.3Å; Y4-M249 HydrophobicContact CE1-SD 3.82Å; Y4-M249 HydrophobicContact CE2-CE 4.31Å; Y4-M249 HydrophobicContact CE2-SD 4.49Å; L245-M249 HydrophobicContact CG-SD 4.3Å; L245-M249 WeakPolarHBondContact O-CG 3.21Å; L245-M249 PolarHBondContact O-N 3.08Å; E246-M249 WeakPolarHBondContact O-CB 3.46Å; E246-M249 PolarHBondContact O-N 2.84Å; M249-T252 PolarHBondContact O-OG1 3.11Å; M249-T253 WeakPolarHBondContact O-CB 3.43Å; M249-T253 PolarHBondContact O-N 3.21Å; M249-T253 PolarHBondContact O-OG1 3.44Å
250E97.5Very high97.8Very high73 Ų7343.3 Ų43.334%0.34124%0.236SC..Hα-helixtrans-63.1-51.8-179-72.8-176.6158.300112.2E246 V248 T253 Q254E246-E250 HydrophobicContact CG-CG 4.48Å; E246-E250 WeakPolarHBondContact O-CG 3.45Å; E246-E250 PolarHBondContact O-N 2.94Å; V248-E250 PolarHBondContact O-N 3.47Å; E250-T253 PolarHBondContact O-N 2.94Å; E250-Q254 WeakPolarHBondContact O-CB 3.48Å; E250-Q254 VanDerWaalsContact O-CG 3.22Å; E250-Q254 WeakPolarHBondContact O-CG 3.38Å; E250-Q254 PolarHBondContact O-N 3.15Å
251V98.4Very high97.7Very high24 Ų2443.8 Ų43.815%0.14524%0.24CC..Hα-helixtrans-67.4-45.7-175.6176.30000110.9L205 T247 T253 Q254 N255L205-V251 HydrophobicContact CB-CG1 4.48Å; L205-V251 HydrophobicContact CD2-CB 4.09Å; L205-V251 HydrophobicContact CD2-CG1 4.21Å; L205-V251 HydrophobicContact CD2-CG2 4.15Å; L205-V251 HydrophobicContact CG-CB 4.08Å; L205-V251 HydrophobicContact CG-CG1 3.75Å; T247-V251 HydrophobicContact CG2-CG2 4.17Å; T247-V251 WeakPolarHBondContact O-CB 3.37Å; T247-V251 VanDerWaalsContact O-CG2 3.29Å; T247-V251 WeakPolarHBondContact O-CG2 3.48Å; T247-V251 PolarHBondContact O-N 3.13Å; V251-T253 VanDerWaalsContact C-N 3.35Å; V251-T253 PolarHBondContact O-N 3.43Å; V251-Q254 PolarHBondContact O-N 3.21Å; V251-N255 WeakPolarHBondContact O-CB 3.44Å; V251-N255 PolarHBondContact O-N 3.11Å; V251-N255 PolarHBondContact O-ND2 2.74Å; V251-N255 PolarHBondContact O-OD1 3.28Å
252T98.6Very high97.5Very high4 Ų444.5 Ų44.53%0.02524%0.243CC..Hα-helixtrans-66.8-36.3-179.958.10000112.4L205 I208 L210 V248 M249 N255 A256L205-T252 HydrophobicContact CD1-CG2 4.46Å; I208-T252 HydrophobicContact CG2-CG2 4.22Å; I208-T252 WeakPolarHBondContact O-CG2 3.4Å; L210-T252 HydrophobicContact CD2-CG2 4.12Å; L210-T252 HydrophobicContact CG-CG2 4.01Å; V248-T252 HydrophobicContact CG1-CG2 4.03Å; V248-T252 VanDerWaalsContact O-CB 3.3Å; V248-T252 WeakPolarHBondContact O-CB 3.34Å; V248-T252 VanDerWaalsContact O-CG2 3.26Å; V248-T252 WeakPolarHBondContact O-CG2 3.28Å; V248-T252 PolarHBondContact O-N 2.86Å; V248-T252 PolarHBondContact O-OG1 3.07Å; M249-T252 PolarHBondContact O-OG1 3.11Å; T252-N255 WeakPolarHBondContact O-CB 3.44Å; T252-N255 PolarHBondContact O-N 2.57Å; T252-A256 PolarHBondContact O-N 2.73Å
253T97.9Very high97.2Very high2 Ų241 Ų411%0.01221%0.208CC..Hα-helixtrans-64.2-44.6172.3-64.30000110.8M1 G3 I5 L33 M249 E250 V251 N255 A256 L257M1-T253 HydrophobicContact CG-CG2 4.45Å; M1-T253 HydrophobicContact SD-CG2 4.08Å; G3-T253 PolarHBondContact O-OG1 2.9Å; I5-T253 HydrophobicContact CD1-CG2 3.72Å; I5-T253 HydrophobicContact CG1-CG2 4.3Å; L33-T253 HydrophobicContact CD1-CG2 4.43Å; M249-T253 WeakPolarHBondContact O-CB 3.43Å; M249-T253 PolarHBondContact O-N 3.21Å; M249-T253 PolarHBondContact O-OG1 3.44Å; E250-T253 PolarHBondContact O-N 2.94Å; V251-T253 VanDerWaalsContact C-N 3.35Å; V251-T253 PolarHBondContact O-N 3.43Å; T253-N255 VanDerWaalsContact C-N 3.3Å; T253-N255 PolarHBondContact O-N 3.34Å; T253-A256 PolarHBondContact O-N 3.45Å; T253-L257 HydrophobicContact CG2-CD1 4.13Å; T253-L257 VanDerWaalsContact O-CG 3.25Å; T253-L257 WeakPolarHBondContact O-CG 3.42Å; T253-L257 PolarHBondContact O-N 2.69Å
254Q97.3Very high96.5Very high114 Ų11443.7 Ų43.753%0.53322%0.215SC..Hα-helixtrans-63-37.1175.9-73.2174.717.400112.4E250 V251 L257 R258E250-Q254 WeakPolarHBondContact O-CB 3.48Å; E250-Q254 VanDerWaalsContact O-CG 3.22Å; E250-Q254 WeakPolarHBondContact O-CG 3.38Å; E250-Q254 PolarHBondContact O-N 3.15Å; V251-Q254 PolarHBondContact O-N 3.21Å; Q254-L257 PolarHBondContact O-N 2.84Å; Q254-R258 WeakPolarHBondContact O-CB 3.12Å; Q254-R258 WeakPolarHBondContact O-CG 3.47Å; Q254-R258 PolarHBondContact O-N 2.84Å
255N98.5Very high95.6Very high4 Ų444.9 Ų44.92%0.02122%0.223CC..Hα-helixtrans-62.7-48.1174.7-69.2-16.2000111.3F184 L205 E206 I208 V251 T252 T253 L257 R258 L259F184-N255 HydrophobicContact CD1-CB 3.81Å; F184-N255 HydrophobicContact CE1-CB 3.52Å; L205-N255 PolarHBondContact O-ND2 2.86Å; E206-N255 VanDerWaalsContact C-ND2 3.28Å; E206-N255 PolarHBondContact O-ND2 2.87Å; E206-N255 PolarHBondContact O-OD1 2.78Å; E206-N255 VanDerWaalsContact O-OD1 3.07Å; I208-N255 PolarHBondContact O-ND2 3.2Å; V251-N255 WeakPolarHBondContact O-CB 3.44Å; V251-N255 PolarHBondContact O-N 3.11Å; V251-N255 PolarHBondContact O-ND2 2.74Å; V251-N255 PolarHBondContact O-OD1 3.28Å; T252-N255 WeakPolarHBondContact O-CB 3.44Å; T252-N255 PolarHBondContact O-N 2.57Å; T253-N255 VanDerWaalsContact C-N 3.3Å; T253-N255 PolarHBondContact O-N 3.34Å; N255-L257 VanDerWaalsContact C-N 3.33Å; N255-L257 PolarHBondContact O-N 3.04Å; N255-R258 WeakPolarHBondContact O-CB 3.08Å; N255-R258 PolarHBondContact O-N 2.91Å; N255-R258 VanDerWaalsContact O-N 3.16Å; N255-L259 WeakPolarHBondContact O-CB 3.26Å; N255-L259 PolarHBondContact O-N 3.35Å
256A98.3Very high94.7Very high0 Ų044.7 Ų44.70%023%0.23CC..Hα-helixtrans-58.9-43.5174.900000111.8I5 T252 T253 R258 L259 F260I5-A256 HydrophobicContact CB-CB 4.1Å; I5-A256 HydrophobicContact CD1-CB 3.85Å; I5-A256 HydrophobicContact CG2-CB 3.99Å; T252-A256 PolarHBondContact O-N 2.73Å; T253-A256 PolarHBondContact O-N 3.45Å; A256-R258 VanDerWaalsContact C-N 3.32Å; A256-R258 PolarHBondContact O-N 3.31Å; A256-L259 PolarHBondContact O-N 3.4Å; A256-F260 VanDerWaalsContact O-CD2 3.31Å; A256-F260 WeakPolarHBondContact O-CD2 3.46Å; A256-F260 PolarHBondContact O-N 3.14Å
257L96.9Very high93.8Very high27 Ų2741.1 Ų41.114%0.14121%0.214CC..Hα-helixtrans-68.4-27.5177.5-66174.6000113.7M1 I5 T253 Q254 N255 L263 K264M1-L257 HydrophobicContact SD-CD1 4.25Å; I5-L257 HydrophobicContact CD1-CD2 4.17Å; I5-L257 HydrophobicContact CD1-CG 4.18Å; T253-L257 HydrophobicContact CG2-CD1 4.13Å; T253-L257 VanDerWaalsContact O-CG 3.25Å; T253-L257 WeakPolarHBondContact O-CG 3.42Å; T253-L257 PolarHBondContact O-N 2.69Å; Q254-L257 PolarHBondContact O-N 2.84Å; N255-L257 VanDerWaalsContact C-N 3.33Å; N255-L257 PolarHBondContact O-N 3.04Å; L257-L263 HydrophobicContact CD2-CB 4.33Å; L257-L263 HydrophobicContact CD2-CD2 4.17Å; L257-L263 HydrophobicContact CD2-CG 4.15Å; L257-K264 HydrophobicContact CB-CB 4.44Å; L257-K264 HydrophobicContact CD2-CB 4.09Å
258R97Very high92.1Very high153 Ų15346.9 Ų46.958%0.57723%0.23SC*.Hα-helixtrans-72.7-40.7170.8-81.5171.456.9-151.4-4.5111.3F184 Q254 N255 A256F184-R258 HydrophobicContact CZ-CB 4.43Å; Q254-R258 WeakPolarHBondContact O-CB 3.12Å; Q254-R258 WeakPolarHBondContact O-CG 3.47Å; Q254-R258 PolarHBondContact O-N 2.84Å; N255-R258 WeakPolarHBondContact O-CB 3.08Å; N255-R258 PolarHBondContact O-N 2.91Å; N255-R258 VanDerWaalsContact O-N 3.16Å; A256-R258 VanDerWaalsContact C-N 3.32Å; A256-R258 PolarHBondContact O-N 3.31Å
259L98.3Very high89.7Confident2 Ų255.8 Ų55.81%0.0129%0.288CS..Hα-helixtrans-74.4-38.3-177.3178.855.5000112.9P139 K162 L164 F184 N255 A256 P261P139-L259 HydrophobicContact CB-CD1 4.15Å; K162-L259 HydrophobicContact CB-CD1 3.9Å; L164-L259 HydrophobicContact CB-CD2 3.73Å; L164-L259 HydrophobicContact CD1-CD2 3.88Å; L164-L259 HydrophobicContact CG-CD2 4.33Å; F184-L259 HydrophobicContact CB-CD2 3.83Å; F184-L259 HydrophobicContact CD2-CB 3.99Å; F184-L259 HydrophobicContact CD2-CD1 3.88Å; F184-L259 HydrophobicContact CD2-CD2 3.84Å; F184-L259 HydrophobicContact CD2-CG 4.13Å; F184-L259 HydrophobicContact CE2-CB 4.05Å; F184-L259 HydrophobicContact CE2-CD1 4.3Å; F184-L259 HydrophobicContact CG-CD2 3.99Å; N255-L259 WeakPolarHBondContact O-CB 3.26Å; N255-L259 PolarHBondContact O-N 3.35Å; A256-L259 PolarHBondContact O-N 3.4Å; L259-P261 VanDerWaalsContact O-CD 3.27Å; L259-P261 WeakPolarHBondContact O-CD 3.35Å
260F97.6Very high89.3Confident0 Ų058.1 Ų58.10%030%0.3CS..  trans-115.283.1-177.5-55.2-74000110.8C7 L36 A100 P139 L164 A256 K262 L263C7-F260 HydrophobicContact CB-CE2 4.2Å; L36-F260 HydrophobicContact CD2-CD1 3.74Å; L36-F260 HydrophobicContact CD2-CD2 3.69Å; L36-F260 HydrophobicContact CD2-CE1 3.59Å; L36-F260 HydrophobicContact CD2-CE2 3.49Å; L36-F260 VanDerWaalsContact CD2-CE2 3.49Å; L36-F260 HydrophobicContact CD2-CG 3.83Å; L36-F260 HydrophobicContact CD2-CZ 3.45Å; L36-F260 VanDerWaalsContact CD2-CZ 3.45Å; A100-F260 HydrophobicContact CB-CD1 4.1Å; A100-F260 HydrophobicContact CB-CE1 3.81Å; P139-F260 HydrophobicContact CB-CD1 4.23Å; P139-F260 HydrophobicContact CB-CE1 4.24Å; P139-F260 HydrophobicContact CG-CD1 3.37Å; P139-F260 HydrophobicContact CG-CE1 3.75Å; P139-F260 HydrophobicContact CG-CG 4.4Å; L164-F260 HydrophobicContact CB-CZ 4.24Å; L164-F260 HydrophobicContact CD2-CE2 4.45Å; L164-F260 HydrophobicContact CD2-CZ 4.1Å; A256-F260 VanDerWaalsContact O-CD2 3.31Å; A256-F260 WeakPolarHBondContact O-CD2 3.46Å; A256-F260 PolarHBondContact O-N 3.14Å; F260-K262 VanDerWaalsContact C-N 3.3Å; F260-K262 PolarHBondContact O-N 2.91Å; F260-L263 HydrophobicContact CB-CB 3.92Å; F260-L263 HydrophobicContact CB-CD2 4.46Å; F260-L263 WeakPolarHBondContact O-CB 3.49Å; F260-L263 PolarHBondContact O-N 2.94Å
261P94.1Very high88.9Confident60 Ų6057.3 Ų57.339%0.3930%0.297SS..Hα-helixtrans-59.6-35.1-173.7-26.434.8000114.5L259 L263 K264 S265L259-P261 VanDerWaalsContact O-CD 3.27Å; L259-P261 WeakPolarHBondContact O-CD 3.35Å; P261-L263 PolarHBondContact O-N 2.92Å; P261-K264 WeakPolarHBondContact O-CB 3.2Å; P261-K264 PolarHBondContact O-N 3.18Å; P261-K264 VanDerWaalsContact O-N 3.11Å; P261-S265 PolarHBondContact O-N 2.66Å
262K93.9Very high88.4Confident69 Ų6959.2 Ų59.230%0.331%0.306SS..Hα-helixtrans-64.6-25.1176.5-74.2-174.1174-169.60113K95 D96 L98 V99 L138 F260 S265 A266K95-K262 PolarHBondContact O-NZ 3.11Å; K95-K262 VanDerWaalsContact O-NZ 3.15Å; D96-K262 PolarHBondContact O-NZ 2.84Å; D96-K262 VanDerWaalsContact O-NZ 3.08Å; L98-K262 WeakPolarHBondContact O-CD 3.46Å; L98-K262 PolarHBondContact O-NZ 3.02Å; V99-K262 HydrophobicContact CG1-CB 4.07Å; L138-K262 HydrophobicContact CD2-CD 3.97Å; F260-K262 VanDerWaalsContact C-N 3.3Å; F260-K262 PolarHBondContact O-N 2.91Å; K262-S265 WeakPolarHBondContact CA-OG 3.44Å; K262-S265 PolarHBondContact O-OG 3.41Å; K262-A266 PolarHBondContact O-N 3.36Å
263L91.5Very high87.8Confident0 Ų062.4 Ų62.40%032%0.322CS..Hα-helixtrans-67.2-42.4172.8-163.567000110.8I5 A34 L36 F60 L257 F260 P261 S265 A266 I267I5-L263 HydrophobicContact CD1-CD2 3.76Å; I5-L263 HydrophobicContact CG1-CD2 4.5Å; I5-L263 HydrophobicContact CG2-CD2 3.9Å; A34-L263 HydrophobicContact CB-CD1 4.07Å; L36-L263 HydrophobicContact CD1-CD1 4.31Å; L36-L263 HydrophobicContact CD1-CD2 4.14Å; F60-L263 HydrophobicContact CB-CD1 4.37Å; F60-L263 HydrophobicContact CD1-CD1 3.78Å; F60-L263 HydrophobicContact CD2-CD1 3.36Å; F60-L263 HydrophobicContact CE1-CD1 3.82Å; F60-L263 HydrophobicContact CE2-CD1 3.41Å; F60-L263 VanDerWaalsContact CE2-CD1 3.41Å; F60-L263 HydrophobicContact CG-CD1 3.54Å; F60-L263 HydrophobicContact CZ-CD1 3.64Å; L257-L263 HydrophobicContact CD2-CB 4.33Å; L257-L263 HydrophobicContact CD2-CD2 4.17Å; L257-L263 HydrophobicContact CD2-CG 4.15Å; F260-L263 HydrophobicContact CB-CB 3.92Å; F260-L263 HydrophobicContact CB-CD2 4.46Å; F260-L263 WeakPolarHBondContact O-CB 3.49Å; F260-L263 PolarHBondContact O-N 2.94Å; P261-L263 PolarHBondContact O-N 2.92Å; L263-S265 VanDerWaalsContact C-N 3.27Å; L263-S265 PolarHBondContact O-N 2.69Å; L263-A266 PolarHBondContact O-N 3.45Å; L263-I267 HydrophobicContact CD1-CD1 3.55Å; L263-I267 HydrophobicContact CD1-CG1 4.13Å; L263-I267 HydrophobicContact CD2-CD1 4.05Å; L263-I267 HydrophobicContact CG-CD1 3.47Å; L263-I267 VanDerWaalsContact CG-CD1 3.47Å; L263-I267 HydrophobicContact CG-CG1 4.16Å; L263-I267 WeakPolarHBondContact O-CG1 3.35Å; L263-I267 PolarHBondContact O-N 3.21Å
264K83.4Confident87.1Confident107 Ų10766.2 Ų66.247%0.46534%0.342SS..Hα-helixtrans-62.7-30.6179-172.4-179.5-179178.60113.2L257 P261 R268L257-K264 HydrophobicContact CB-CB 4.44Å; L257-K264 HydrophobicContact CD2-CB 4.09Å; P261-K264 WeakPolarHBondContact O-CB 3.2Å; P261-K264 PolarHBondContact O-N 3.18Å; P261-K264 VanDerWaalsContact O-N 3.11Å; K264-R268 WeakPolarHBondContact O-CG 3.43Å
265S78.9Confident86.5Confident87 Ų8763 Ų6361%0.60833%0.329SS*.Hα-helixtrans-73.5-29172.938.90000113P261 K262 L263P261-S265 PolarHBondContact O-N 2.66Å; K262-S265 WeakPolarHBondContact CA-OG 3.44Å; K262-S265 PolarHBondContact O-OG 3.41Å; L263-S265 VanDerWaalsContact C-N 3.27Å; L263-S265 PolarHBondContact O-N 2.69Å
266A80.1Confident85.6Confident52 Ų5267.2 Ų67.243%0.4335%0.351SS..Hα-helixtrans-92.3-28-172.200000114.4F60 K262 L263F60-A266 HydrophobicContact CE1-CB 3.43Å; F60-A266 VanDerWaalsContact CE1-CB 3.43Å; F60-A266 HydrophobicContact CZ-CB 3.74Å; K262-A266 PolarHBondContact O-N 3.36Å; L263-A266 PolarHBondContact O-N 3.45Å
267I76.8Confident84.6Confident26 Ų2672.4 Ų72.413%0.13338%0.378CS..SBendtrans-98.67.2-178.8-47.3179000112M1 I5 L33 A34 F60 L263M1-I267 HydrophobicContact CE-CB 4.33Å; M1-I267 HydrophobicContact CE-CG2 3.8Å; M1-I267 WeakPolarHBondContact CE-O 3.44Å; M1-I267 HydrophobicContact SD-CG2 3.88Å; I5-I267 HydrophobicContact CD1-CD1 4.45Å; L33-I267 HydrophobicContact CB-CG2 4.44Å; A34-I267 HydrophobicContact CB-CD1 3.47Å; A34-I267 VanDerWaalsContact CB-CD1 3.47Å; F60-I267 HydrophobicContact CE2-CD1 4.25Å; F60-I267 HydrophobicContact CE2-CG1 4.27Å; F60-I267 HydrophobicContact CZ-CD1 4.44Å; F60-I267 HydrophobicContact CZ-CG1 4.01Å; L263-I267 HydrophobicContact CD1-CD1 3.55Å; L263-I267 HydrophobicContact CD1-CG1 4.13Å; L263-I267 HydrophobicContact CD2-CD1 4.05Å; L263-I267 HydrophobicContact CG-CD1 3.47Å; L263-I267 VanDerWaalsContact CG-CD1 3.47Å; L263-I267 HydrophobicContact CG-CG1 4.16Å; L263-I267 WeakPolarHBondContact O-CG1 3.35Å; L263-I267 PolarHBondContact O-N 3.21Å
268R62.2Low83.6Confident171 Ų17176.2 Ų76.265%0.64540%0.398SS*.  trans-63.8135.3175.5-89.7176.9-165.3-156.97.4110K264K264-R268 WeakPolarHBondContact O-CG 3.43Å
269P49.7Very low82.4Confident187 Ų18769.2 Ų69.2100%1.21438%0.381SS*.  trans-630174.927.6-32.8000112

Retrieved 269 of 269 residues in 314.1 ms (Link to these results)

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