A0A096NQL7_PAPAN Loading...

Mannose-1-phosphate guanylyltransferase catalytic subunit beta

Catalytic subunit of the GMPPA-GMPPB mannose-1-phosphate guanylyltransferase complex. Catalyzes the formation of GDP-mannose, an essential precursor of glycan moieties of glycoproteins and glycolipids. Can catalyze the reverse reaction in vitro. Together with GMPPA regulates GDP-alpha-D-mannose levels.

AlphaFold DB (A0A2K5XWZ2), UniProt , Accession A0A096NQL7, Species PAPAN (Papio anubis, Olive baboon), Gene GMPPB, Length 360 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
1M94.1Very high88.7Confident24 Ų2431.7 Ų31.712%0.11820%0.196CC..  0144.30176.3176.4-69.600109V46 D47 P103 F105 V121M1-V46 HydrophobicContact CG-CG2 4.42Å; M1-V46 CarbonylContact O-C 3.56Å; M1-V46 VanDerWaalsContact O-CA 3.27Å; M1-V46 WeakPolarHBondContact O-CA 3.2Å; M1-V46 WeakPolarHBondContact O-CG1 3.31Å; M1-D47 PolarHBondContact N-OD1 3.44Å; M1-D47 VanDerWaalsContact N-OD1 3.13Å; M1-D47 PolarHBondContact N-OD2 3.28Å; M1-D47 PolarHBondContact O-N 3.18Å; M1-P103 HydrophobicContact CE-CG 4.05Å; M1-P103 WeakPolarHBondContact CG-O 3.42Å; M1-F105 HydrophobicContact SD-CD2 4.05Å; M1-F105 HydrophobicContact SD-CE2 3.53Å; M1-F105 VanDerWaalsContact SD-CE2 3.53Å; M1-F105 HydrophobicContact SD-CZ 4.4Å; M1-V121 HydrophobicContact CE-CG1 4.09Å; M1-V121 HydrophobicContact CE-CG2 3.97Å; M1-V121 HydrophobicContact SD-CG2 3.91Å
2K98Very high88.9Confident12 Ų1235.3 Ų35.35%0.05222%0.217CC..EExtended strand (participates in β ladder)trans-106.3160.1-174-54.5-167.5178.2-1690113.4H48 L96 L97 E99 F104 F105K2-H48 CarbonylContact C-O 3.51Å; K2-H48 VanDerWaalsContact CA-O 3.32Å; K2-H48 WeakPolarHBondContact CA-O 3.34Å; K2-H48 HydrophobicContact CG-CB 4.24Å; K2-L96 WeakPolarHBondContact CD-O 3.42Å; K2-L96 WeakPolarHBondContact CE-O 3.35Å; K2-L96 PolarHBondContact NZ-O 3.13Å; K2-L97 HydrophobicContact CB-CD2 4.4Å; K2-E99 IonicContact NZ-OE1 3.53Å; K2-E99 IonicContact NZ-OE2 2.65Å; K2-E99 PolarHBondContact NZ-OE2 3.38Å; K2-F104 HydrophobicContact CB-CB 4.16Å; K2-F104 CarbonylContact O-C 3.59Å; K2-F104 WeakPolarHBondContact O-CA 3.38Å; K2-F104 WeakPolarHBondContact O-CB 3.41Å; K2-F105 PolarHBondContact O-N 2.79Å
3A98.4Very high89.3Confident0 Ų042.2 Ų42.20%024%0.237CC..EExtended strand (participates in β ladder)trans-139.1145170.300000110.7L41 V46 H48 V49 I50 F105A3-L41 HydrophobicContact CB-CD1 3.75Å; A3-L41 HydrophobicContact CB-CD2 4.01Å; A3-L41 HydrophobicContact CB-CG 4.43Å; A3-V46 HydrophobicContact CB-CG1 3.85Å; A3-V46 HydrophobicContact CB-CG2 4.46Å; A3-H48 PolarHBondContact N-O 2.65Å; A3-V49 HydrophobicContact CB-CG2 4.43Å; A3-V49 CarbonylContact O-C 3.57Å; A3-V49 WeakPolarHBondContact O-CA 3.4Å; A3-I50 PolarHBondContact O-N 3.08Å; A3-F105 CarbonylContact C-O 3.57Å; A3-F105 WeakPolarHBondContact CA-O 3.49Å; A3-F105 HydrophobicContact CB-CB 3.84Å
4L98Very high89.7Confident0 Ų039.2 Ų39.20%022%0.22CC..EExtended strand (participates in β ladder)trans-116.4123.6168.9-175.2149.8000109.3L6 I50 A52 P89 L90 A93 L97 F105 V106 L107L4-L6 HydrophobicContact CD2-CD2 3.56Å; L4-L6 HydrophobicContact CD2-CG 4.06Å; L4-I50 CarbonylContact C-O 3.57Å; L4-I50 VanDerWaalsContact CA-O 3.26Å; L4-I50 WeakPolarHBondContact CA-O 3.47Å; L4-I50 HydrophobicContact CB-CB 4.47Å; L4-I50 HydrophobicContact CD1-CG2 4.35Å; L4-I50 HydrophobicContact CG-CB 4.49Å; L4-A52 HydrophobicContact CD2-CB 4.03Å; L4-A52 HydrophobicContact CG-CB 4.42Å; L4-P89 HydrophobicContact CD2-CB 4.4Å; L4-L90 HydrophobicContact CD2-CD1 4.11Å; L4-A93 HydrophobicContact CD1-CB 3.74Å; L4-L97 HydrophobicContact CB-CD2 4.37Å; L4-L97 HydrophobicContact CD1-CD1 3.96Å; L4-F105 PolarHBondContact N-O 3.08Å; L4-V106 HydrophobicContact CB-CG2 4.47Å; L4-V106 HydrophobicContact CD2-CG1 4.31Å; L4-V106 CarbonylContact O-C 3.58Å; L4-V106 VanDerWaalsContact O-CA 3.22Å; L4-V106 WeakPolarHBondContact O-CA 3.42Å; L4-L107 PolarHBondContact O-N 2.67Å
5I97Very high90.1Very high0 Ų044.3 Ų44.30%023%0.234CC..EExtended strand (participates in β ladder)trans-106.3124.2175.6-53.1178.4000108.1V7 L34 Q37 V38 L41 V49 I50 L51 A52 L107I5-V7 HydrophobicContact CB-CG2 4.23Å; I5-V7 HydrophobicContact CG2-CG2 3.87Å; I5-V7 PolarHBondContact O-N 3.12Å; I5-L34 HydrophobicContact CB-CD1 4.43Å; I5-L34 HydrophobicContact CD1-CD1 3.75Å; I5-L34 HydrophobicContact CG2-CD1 3.82Å; I5-Q37 HydrophobicContact CD1-CB 4.3Å; I5-V38 HydrophobicContact CD1-CG2 3.9Å; I5-L41 HydrophobicContact CD1-CD1 3.93Å; I5-L41 HydrophobicContact CG1-CD1 4.3Å; I5-V49 HydrophobicContact CD1-CG1 3.8Å; I5-V49 HydrophobicContact CG1-CG1 4.11Å; I5-I50 PolarHBondContact N-O 3.3Å; I5-L51 HydrophobicContact CB-CD2 3.96Å; I5-L51 HydrophobicContact CD1-CD2 4.05Å; I5-L51 HydrophobicContact CG1-CD2 4.32Å; I5-A52 PolarHBondContact O-N 3.22Å; I5-L107 HydrophobicContact CG1-CB 4.42Å; I5-L107 HydrophobicContact CG1-CD1 4.39Å; I5-L107 HydrophobicContact CG2-CB 4.47Å
6L94.3Very high90.5Very high19 Ų1941.6 Ų41.610%0.09922%0.22CC..EExtended strand (participates in β ladder)trans-76.398.6174.8-61.4174.7000108.9L4 G8 A52 T86 P89 L90 V106 L107 S109L4-L6 HydrophobicContact CD2-CD2 3.56Å; L4-L6 HydrophobicContact CD2-CG 4.06Å; L6-G8 VanDerWaalsContact C-N 3.3Å; L6-A52 HydrophobicContact CD2-CB 4.18Å; L6-T86 HydrophobicContact CD1-CG2 4.32Å; L6-P89 HydrophobicContact CD2-CB 3.87Å; L6-P89 HydrophobicContact CD2-CG 3.84Å; L6-L90 HydrophobicContact CD2-CD1 4.46Å; L6-V106 HydrophobicContact CD1-CG1 4.37Å; L6-V106 HydrophobicContact CG-CG1 4.44Å; L6-L107 WeakPolarHBondContact CB-O 3.49Å; L6-L107 PolarHBondContact N-O 3.41Å; L6-S109 WeakPolarHBondContact O-CB 3.33Å; L6-S109 PolarHBondContact O-N 2.87Å; L6-S109 PolarHBondContact O-OG 3.08Å
7V88.9Confident90.9Very high13 Ų1339.1 Ų39.18%0.07921%0.207CC..EExtended strand (participates in β ladder)trans-100.430.6-178.6-175.90000110.6I5 P24 L34 L51 A52 V53 L60I5-V7 HydrophobicContact CB-CG2 4.23Å; I5-V7 HydrophobicContact CG2-CG2 3.87Å; I5-V7 PolarHBondContact O-N 3.12Å; V7-P24 HydrophobicContact CG1-CB 4.13Å; V7-P24 HydrophobicContact CG1-CG 3.23Å; V7-L34 HydrophobicContact CG2-CD1 4.24Å; V7-L51 HydrophobicContact CG2-CB 4.23Å; V7-L51 HydrophobicContact CG2-CD2 4.12Å; V7-A52 CarbonylContact C-O 3.51Å; V7-A52 VanDerWaalsContact CA-O 3.25Å; V7-A52 WeakPolarHBondContact CA-O 3.33Å; V7-A52 VanDerWaalsContact CB-O 3.31Å; V7-A52 WeakPolarHBondContact CB-O 3.41Å; V7-A52 PolarHBondContact N-O 2.88Å; V7-V53 HydrophobicContact CB-CG1 3.84Å; V7-V53 HydrophobicContact CG1-CG1 3.85Å; V7-L60 HydrophobicContact CG1-CD2 4.43Å
8G72.9Confident91.1Very high49 Ų4937.9 Ų37.951%0.50520%0.202SC..  trans-80.3147.5-176.700000114.2L6L6-G8 VanDerWaalsContact C-N 3.3Å
9G70.9Confident91.2Very high49 Ų4940.2 Ų40.251%0.50521%0.214SC..SBendtrans96.5145.4167.800000115.1G11G9-G11 PolarHBondContact O-N 3.44Å
10Y76.6Confident91.3Very high171 Ų17140.1 Ų40.167%0.67122%0.216SC*.  trans-69.74.4-176.8-61.6-79.6000115T12Y10-T12 PolarHBondContact O-N 3.5Å; Y10-T12 VanDerWaalsContact O-N 3.12Å
11G86.9Confident91.3Very high12 Ų1239.4 Ų39.412%0.12421%0.213CC..  trans55.531.8-178.600000113.9G9 R13 L14 T18G9-G11 PolarHBondContact O-N 3.44Å; G11-R13 PolarHBondContact O-N 2.97Å; G11-R13 VanDerWaalsContact O-N 3.14Å; G11-L14 PolarHBondContact O-N 3.44Å; G11-T18 WeakPolarHBondContact O-CB 3.42Å; G11-T18 PolarHBondContact O-OG1 3.02Å
12T90.9Very high91.1Very high74 Ų7440.3 Ų40.345%0.45422%0.221SC..G310 helixtrans-60.1-29.6-168.4580000114Y10 L14 R15Y10-T12 PolarHBondContact O-N 3.5Å; Y10-T12 VanDerWaalsContact O-N 3.12Å; T12-L14 VanDerWaalsContact C-N 3.26Å; T12-L14 PolarHBondContact O-N 3.34Å; T12-R15 WeakPolarHBondContact O-CB 3.47Å; T12-R15 WeakPolarHBondContact O-CD 3.36Å; T12-R15 WeakPolarHBondContact O-CG 3.45Å; T12-R15 PolarHBondContact O-N 3.16Å
13R93.8Very high90.8Very high126 Ų12640.8 Ų40.848%0.47522%0.223SC..G310 helixtrans-70.4-19.9177.1-66.2-171.6-67.1137.8-2.7113.7G11 D218 G220 Q221 P222G11-R13 PolarHBondContact O-N 2.97Å; G11-R13 VanDerWaalsContact O-N 3.14Å; R13-D218 IonicContact NH2-OD2 3.48Å; R13-G220 CarbonylContact C-O 3.56Å; R13-G220 VanDerWaalsContact CB-O 3.22Å; R13-G220 WeakPolarHBondContact CB-O 3.28Å; R13-Q221 HydrophobicContact CB-CB 4.29Å; R13-P222 VanDerWaalsContact O-CD 3.24Å; R13-P222 WeakPolarHBondContact O-CD 3.19Å
14L95.3Very high90.6Very high0 Ų041.2 Ų41.20%023%0.226CC..G310 helixtrans-96.67.8177.4-165.162.4000112.3G11 T12 L17 T18 K23 V26 G220 P222 F225G11-L14 PolarHBondContact O-N 3.44Å; T12-L14 VanDerWaalsContact C-N 3.26Å; T12-L14 PolarHBondContact O-N 3.34Å; L14-L17 HydrophobicContact CD1-CD1 4.42Å; L14-L17 HydrophobicContact CG-CD1 4.3Å; L14-L17 WeakPolarHBondContact O-CB 3.4Å; L14-L17 PolarHBondContact O-N 3.43Å; L14-T18 HydrophobicContact CB-CG2 3.86Å; L14-T18 HydrophobicContact CD2-CG2 4.16Å; L14-T18 HydrophobicContact CG-CG2 4.25Å; L14-K23 HydrophobicContact CD2-CG 4.17Å; L14-V26 HydrophobicContact CD2-CG1 4.42Å; L14-V26 HydrophobicContact CD2-CG2 4.41Å; L14-G220 PolarHBondContact N-O 2.85Å; L14-P222 HydrophobicContact CD1-CG 4.45Å; L14-F225 HydrophobicContact CD1-CB 4.23Å; L14-F225 HydrophobicContact CD1-CD2 3.99Å; L14-F225 HydrophobicContact CD1-CG 4.43Å; L14-F225 HydrophobicContact CD2-CD2 4.35Å
15R95.6Very high90.3Very high115 Ų11541.9 Ų41.943%0.43423%0.229SC..THydrogen-bonded Turntrans-59.6146.7170.9-70.7176.9178.4173.3-3.2109.6T12 T18 L19T12-R15 WeakPolarHBondContact O-CB 3.47Å; T12-R15 WeakPolarHBondContact O-CD 3.36Å; T12-R15 WeakPolarHBondContact O-CG 3.45Å; T12-R15 PolarHBondContact O-N 3.16Å; R15-T18 VanDerWaalsContact CG-OG1 3.25Å; R15-T18 WeakPolarHBondContact CG-OG1 3.45Å; R15-T18 PolarHBondContact N-OG1 2.9Å; R15-L19 HydrophobicContact CG-CD2 4.21Å; R15-L19 HydrophobicContact CG-CG 4.06Å
16P96.9Very high90.3Very high1 Ų141.9 Ų41.91%0.00623%0.229CC..THydrogen-bonded Turncis-82.3-7.911.533.3-38.4000115.9T18 L19 V325 S342 V343P16-T18 VanDerWaalsContact C-N 3.29Å; P16-T18 PolarHBondContact O-N 3.24Å; P16-L19 HydrophobicContact CB-CD1 4.26Å; P16-L19 WeakPolarHBondContact O-CB 3.44Å; P16-L19 PolarHBondContact O-N 3Å; P16-L19 VanDerWaalsContact O-N 3.1Å; P16-V325 VanDerWaalsContact CD-CG1 3.48Å; P16-V325 HydrophobicContact CG-CB 4.26Å; P16-V325 HydrophobicContact CG-CG1 3.73Å; P16-S342 WeakPolarHBondContact CD-OG 3.32Å; P16-V343 VanDerWaalsContact CB-O 3.32Å; P16-V343 WeakPolarHBondContact CB-O 3.41Å; P16-V343 WeakPolarHBondContact CG-O 3.38Å
17L96.4Very high90.3Very high0 Ų041.6 Ų41.60%023%0.228CC..Hα-helixtrans-59.4-41-174.4-58.4176.8000112.8L14 L19 S20 T21 V26 L292 I307 W310 V325L14-L17 HydrophobicContact CD1-CD1 4.42Å; L14-L17 HydrophobicContact CG-CD1 4.3Å; L14-L17 WeakPolarHBondContact O-CB 3.4Å; L14-L17 PolarHBondContact O-N 3.43Å; L17-L19 PolarHBondContact O-N 3.36Å; L17-S20 PolarHBondContact O-N 2.97Å; L17-T21 PolarHBondContact O-N 3.37Å; L17-V26 HydrophobicContact CD1-CG1 4.1Å; L17-L292 HydrophobicContact CD2-CD1 4.01Å; L17-I307 HydrophobicContact CD1-CG2 3.91Å; L17-I307 HydrophobicContact CD2-CG2 4.09Å; L17-I307 HydrophobicContact CG-CG2 4.48Å; L17-W310 HydrophobicContact CB-CH2 4.24Å; L17-W310 HydrophobicContact CB-CZ3 4.14Å; L17-W310 HydrophobicContact CD2-CH2 4.43Å; L17-W310 HydrophobicContact CD2-CZ3 3.97Å; L17-V325 HydrophobicContact CD2-CG1 4.3Å; L17-V325 HydrophobicContact CG-CG1 4.21Å
18T94.5Very high90.7Very high18 Ų1841 Ų4111%0.1122%0.224CC..Hα-helixtrans-78.34-177.853.20000114.5G11 L14 R15 P16 T21 K23 V26G11-T18 WeakPolarHBondContact O-CB 3.42Å; G11-T18 PolarHBondContact O-OG1 3.02Å; L14-T18 HydrophobicContact CB-CG2 3.86Å; L14-T18 HydrophobicContact CD2-CG2 4.16Å; L14-T18 HydrophobicContact CG-CG2 4.25Å; R15-T18 VanDerWaalsContact CG-OG1 3.25Å; R15-T18 WeakPolarHBondContact CG-OG1 3.45Å; R15-T18 PolarHBondContact N-OG1 2.9Å; P16-T18 VanDerWaalsContact C-N 3.29Å; P16-T18 PolarHBondContact O-N 3.24Å; T18-T21 VanDerWaalsContact CA-O 3.3Å; T18-T21 WeakPolarHBondContact CA-O 3.29Å; T18-K23 HydrophobicContact CG2-CB 3.91Å; T18-K23 HydrophobicContact CG2-CG 4.41Å; T18-V26 HydrophobicContact CG2-CG2 4.19Å
19L94Very high91.9Very high81 Ų8138.9 Ų38.942%0.42420%0.201SC..Hα-helixtrans-78.6-31.1167.3-65.4172.5000111.8R15 P16 L17 L344 P345R15-L19 HydrophobicContact CG-CD2 4.21Å; R15-L19 HydrophobicContact CG-CG 4.06Å; P16-L19 HydrophobicContact CB-CD1 4.26Å; P16-L19 WeakPolarHBondContact O-CB 3.44Å; P16-L19 PolarHBondContact O-N 3Å; P16-L19 VanDerWaalsContact O-N 3.1Å; L17-L19 PolarHBondContact O-N 3.36Å; L19-L344 HydrophobicContact CD1-CD2 4.06Å; L19-L344 HydrophobicContact CD1-CG 3.73Å; L19-P345 HydrophobicContact CB-CG 3.98Å; L19-P345 HydrophobicContact CD1-CG 4.42Å
20S91.9Very high93.1Very high37 Ų3738.4 Ų38.426%0.25919%0.187SC..Hα-helixtrans-97.3-41.3-178.7-680000112.8L17 E328 P345L17-S20 PolarHBondContact O-N 2.97Å; S20-E328 WeakPolarHBondContact CB-OE2 3.31Å; S20-E328 WeakPolarHBondContact OG-CB 3.32Å; S20-E328 PolarHBondContact OG-OE2 3.16Å; S20-P345 WeakPolarHBondContact OG-CG 3.44Å
21T91.3Very high94Very high27 Ų2732.2 Ų32.217%0.16616%0.164CC..SBendtrans-127.8131.8-172.1-630000110.2L17 T18 K23 L25 V26 W310L17-T21 PolarHBondContact O-N 3.37Å; T18-T21 VanDerWaalsContact CA-O 3.3Å; T18-T21 WeakPolarHBondContact CA-O 3.29Å; T21-K23 PolarHBondContact O-N 3.13Å; T21-L25 HydrophobicContact CG2-CB 3.56Å; T21-V26 HydrophobicContact CG2-CG2 4.46Å; T21-W310 HydrophobicContact CG2-CH2 4.36Å; T21-W310 HydrophobicContact CG2-CZ2 4.4Å
22P90.8Very high94.4Very high42 Ų4232.7 Ų32.727%0.27317%0.165SC..  trans-52.7138.1173.5-24.733.1000111P24 L25 V26P22-P24 VanDerWaalsContact C-N 3.29Å; P22-P24 WeakPolarHBondContact O-CD 3.44Å; P22-L25 HydrophobicContact CG-CD1 4.46Å; P22-L25 WeakPolarHBondContact O-CA 3.43Å; P22-L25 PolarHBondContact O-N 3.36Å; P22-V26 PolarHBondContact O-N 3.22Å
23K92.3Very high94.6Very high22 Ų2229.2 Ų29.210%0.09614%0.143CC..G310 helixtrans-43.3-45.6-178.3-173.6179.3-178.3-176.30114.5L14 T18 T21 L25 V26 D110L14-K23 HydrophobicContact CD2-CG 4.17Å; T18-K23 HydrophobicContact CG2-CB 3.91Å; T18-K23 HydrophobicContact CG2-CG 4.41Å; T21-K23 PolarHBondContact O-N 3.13Å; K23-L25 PolarHBondContact O-N 3.02Å; K23-L25 VanDerWaalsContact O-N 3.14Å; K23-V26 WeakPolarHBondContact O-CB 3.5Å; K23-V26 WeakPolarHBondContact O-CG2 3.33Å; K23-V26 PolarHBondContact O-N 3.2Å; K23-V26 VanDerWaalsContact O-N 3.09Å; K23-D110 HydrophobicContact CD-CB 4.42Å; K23-D110 VanDerWaalsContact NZ-CG 3.31Å; K23-D110 IonicContact NZ-OD2 2.68Å; K23-D110 PolarHBondContact NZ-OD2 3.48Å
24P92.5Very high94.7Very high10 Ų1023.2 Ų23.27%0.06512%0.121CC..G310 helixtrans-61.1-26-178.7-22.334.8000114.1V7 P22 I33 L34V7-P24 HydrophobicContact CG1-CB 4.13Å; V7-P24 HydrophobicContact CG1-CG 3.23Å; P22-P24 VanDerWaalsContact C-N 3.29Å; P22-P24 WeakPolarHBondContact O-CD 3.44Å; P24-I33 PolarHBondContact O-N 3.06Å; P24-L34 HydrophobicContact CB-CB 3.88Å; P24-L34 HydrophobicContact CB-CD2 4.07Å; P24-L34 HydrophobicContact CB-CG 4.49Å; P24-L34 WeakPolarHBondContact O-CB 3.27Å; P24-L34 PolarHBondContact O-N 3.18Å
25L93.2Very high94.7Very high14 Ų1423.8 Ų23.87%0.07312%0.124CC..G310 helixtrans-97.3-2.5-178.5-61.9-175.5000113.4T21 P22 K23 D27 V59 L60 E63 M64T21-L25 HydrophobicContact CG2-CB 3.56Å; P22-L25 HydrophobicContact CG-CD1 4.46Å; P22-L25 WeakPolarHBondContact O-CA 3.43Å; P22-L25 PolarHBondContact O-N 3.36Å; K23-L25 PolarHBondContact O-N 3.02Å; K23-L25 VanDerWaalsContact O-N 3.14Å; L25-D27 PolarHBondContact O-N 3.05Å; L25-V59 HydrophobicContact CD1-CB 4.37Å; L25-V59 HydrophobicContact CD1-CG1 3.75Å; L25-L60 HydrophobicContact CD1-CB 4.26Å; L25-L60 HydrophobicContact CD1-CD1 4.36Å; L25-L60 HydrophobicContact CD2-CD1 3.81Å; L25-L60 HydrophobicContact CG-CD1 4.01Å; L25-E63 HydrophobicContact CD2-CB 4.25Å; L25-E63 HydrophobicContact CD2-CG 3.97Å; L25-M64 HydrophobicContact CD2-CE 4.39Å
26V95.4Very high94.8Very high0 Ų018.9 Ų18.90%011%0.106CC..SBendtrans-62.7130.3173177.50000108.3L14 L17 T18 T21 P22 K23 F28 I33 F225 W310L14-V26 HydrophobicContact CD2-CG1 4.42Å; L14-V26 HydrophobicContact CD2-CG2 4.41Å; L17-V26 HydrophobicContact CD1-CG1 4.1Å; T18-V26 HydrophobicContact CG2-CG2 4.19Å; T21-V26 HydrophobicContact CG2-CG2 4.46Å; P22-V26 PolarHBondContact O-N 3.22Å; K23-V26 WeakPolarHBondContact O-CB 3.5Å; K23-V26 WeakPolarHBondContact O-CG2 3.33Å; K23-V26 PolarHBondContact O-N 3.2Å; K23-V26 VanDerWaalsContact O-N 3.09Å; V26-F28 PolarHBondContact O-N 2.99Å; V26-I33 HydrophobicContact CB-CD1 4.09Å; V26-I33 WeakPolarHBondContact O-CG1 3.37Å; V26-I33 PolarHBondContact O-N 3.44Å; V26-F225 HydrophobicContact CG1-CE2 4.04Å; V26-F225 HydrophobicContact CG1-CZ 4.47Å; V26-W310 HydrophobicContact CB-CH2 4.37Å; V26-W310 HydrophobicContact CG1-CH2 4.04Å; V26-W310 HydrophobicContact CG1-CZ2 4.25Å; V26-W310 HydrophobicContact CG2-CH2 4.13Å
27D95.8Very high94.8Very high13 Ų1318.9 Ų18.97%0.0711%0.106CC..EExtended strand (participates in β ladder)trans-71.8118.8179.5-68.3-48000110.2L25 F225 L292 W310L25-D27 PolarHBondContact O-N 3.05Å; D27-F225 WeakPolarHBondContact O-CZ 3.38Å; D27-L292 HydrophobicContact CB-CD2 4.22Å; D27-W310 PolarHBondContact OD2-NE1 3Å
28F97.9Very high94.9Very high0 Ų018.9 Ų18.90%011%0.106CC..EExtended strand (participates in β ladder)trans-115.7115.4171.2178.4-87.3000109.2V26 N30 K31 I33 H36 I112 I219 F225 G228 M229 F232V26-F28 PolarHBondContact O-N 2.99Å; F28-N30 PolarHBondContact O-N 3.34Å; F28-K31 CarbonylContact C-O 3.55Å; F28-K31 PolarHBondContact N-O 3.13Å; F28-K31 PolarHBondContact O-N 3.21Å; F28-I33 HydrophobicContact CB-CG1 3.73Å; F28-H36 AromaticContact CD1-NE2 3.89Å; F28-H36 PolarHBondContact O-NE2 2.87Å; F28-I112 HydrophobicContact CD1-CD1 4.24Å; F28-I112 HydrophobicContact CD1-CG1 4.09Å; F28-I112 HydrophobicContact CD1-CG2 4.49Å; F28-I112 HydrophobicContact CE1-CB 4.35Å; F28-I112 HydrophobicContact CE1-CG1 4.01Å; F28-I112 HydrophobicContact CE1-CG2 3.78Å; F28-I112 HydrophobicContact CZ-CG1 4.31Å; F28-I112 HydrophobicContact CZ-CG2 4.23Å; F28-I219 HydrophobicContact CB-CD1 4.38Å; F28-I219 HydrophobicContact CD2-CD1 3.74Å; F28-I219 HydrophobicContact CD2-CG2 4.49Å; F28-I219 HydrophobicContact CE2-CD1 4.21Å; F28-I219 HydrophobicContact CE2-CG2 3.95Å; F28-I219 HydrophobicContact CG-CD1 4.06Å; F28-F225 HydrophobicContact CB-CE2 4.15Å; F28-F225 HydrophobicContact CB-CZ 3.96Å; F28-F225 HydrophobicContact CD2-CD1 4.21Å; F28-F225 HydrophobicContact CD2-CD2 4.08Å; F28-F225 AromaticContact CD2-CE1 3.79Å; F28-F225 HydrophobicContact CD2-CE1 3.79Å; F28-F225 AromaticContact CD2-CE2 3.71Å; F28-F225 HydrophobicContact CD2-CE2 3.71Å; F28-F225 HydrophobicContact CD2-CG 4.33Å; F28-F225 AromaticContact CD2-CZ 3.56Å; F28-F225 HydrophobicContact CD2-CZ 3.56Å; F28-F225 HydrophobicContact CE2-CD1 4.49Å; F28-F225 HydrophobicContact CE2-CE1 4.41Å; F28-F225 HydrophobicContact CG-CE2 4.43Å; F28-F225 HydrophobicContact CG-CZ 4.22Å; F28-G228 VanDerWaalsContact CZ-C 3.43Å; F28-M229 HydrophobicContact CE2-CB 4.15Å; F28-M229 HydrophobicContact CZ-CB 4.33Å; F28-F232 HydrophobicContact CE1-CB 3.9Å; F28-F232 HydrophobicContact CE1-CD1 4.37Å; F28-F232 HydrophobicContact CE1-CD2 4.18Å; F28-F232 AromaticContact CE1-CG 3.9Å; F28-F232 HydrophobicContact CE1-CG 3.9Å; F28-F232 HydrophobicContact CZ-CB 4.07Å
29C97.5Very high95Very high4 Ų420.3 Ų20.33%0.02711%0.111CC..THydrogen-bonded Turntrans51.753.8-175.8-590000112.7K31 F232 L255 S273C29-K31 VanDerWaalsContact C-N 3.25Å; C29-K31 PolarHBondContact O-N 3Å; C29-F232 HydrophobicContact CB-CD1 3.66Å; C29-F232 HydrophobicContact CB-CE1 3.53Å; C29-F232 HydrophobicContact CB-CZ 4.43Å; C29-F232 WeakPolarHBondContact SG-CD1 3.1Å; C29-L255 HydrophobicContact CB-CD2 3.79Å; C29-L255 WeakPolarHBondContact O-CD2 3.4Å; C29-S273 WeakPolarHBondContact CA-OG 3.39Å
30N95.6Very high95.2Very high39 Ų3917.6 Ų17.621%0.20910%0.101CC..THydrogen-bonded Turntrans64.619.4177.2-55.9-3.7000115.4F28 L255 D257 S273 L274 G275F28-N30 PolarHBondContact O-N 3.34Å; N30-L255 HydrophobicContact CB-CD2 4.45Å; N30-D257 PolarHBondContact ND2-N 2.84Å; N30-S273 PolarHBondContact OD1-OG 3.26Å; N30-S273 VanDerWaalsContact OD1-OG 3.04Å; N30-L274 PolarHBondContact ND2-O 3.31Å; N30-L274 PolarHBondContact OD1-O 3.12Å; N30-G275 VanDerWaalsContact OD1-CA 3.28Å; N30-G275 WeakPolarHBondContact OD1-CA 3.33Å; N30-G275 PolarHBondContact OD1-N 3.14Å
31K95.5Very high95.5Very high42 Ų4215.9 Ų15.918%0.1839%0.088CC..EExtended strand (participates in β ladder)trans-145.6141.2176.4-178.4-171.7-58.1176.90110.5F28 C29 I33 L35 H36 E39F28-K31 CarbonylContact C-O 3.55Å; F28-K31 PolarHBondContact N-O 3.13Å; F28-K31 PolarHBondContact O-N 3.21Å; C29-K31 VanDerWaalsContact C-N 3.25Å; C29-K31 PolarHBondContact O-N 3Å; K31-I33 PolarHBondContact O-N 3.42Å; K31-L35 HydrophobicContact CD-CB 4.07Å; K31-L35 HydrophobicContact CD-CD2 4.31Å; K31-L35 HydrophobicContact CD-CG 4.08Å; K31-L35 HydrophobicContact CG-CB 3.91Å; K31-L35 HydrophobicContact CG-CD2 3.98Å; K31-L35 HydrophobicContact CG-CG 4.14Å; K31-H36 PolarHBondContact O-NE2 3.48Å; K31-E39 WeakPolarHBondContact CE-OE2 3.25Å; K31-E39 IonicContact NZ-OE2 2.73Å; K31-E39 PolarHBondContact NZ-OE2 2.96Å
32P95.3Very high95.8Very high22 Ų2215.8 Ų15.814%0.1439%0.09CC..EExtended strand (participates in β ladder)trans-51.7137.5172.7-29.736.9000112.5L34 L35 H36P32-L34 VanDerWaalsContact C-N 3.26Å; P32-L34 PolarHBondContact O-N 3.41Å; P32-L35 HydrophobicContact CB-CB 4.13Å; P32-L35 WeakPolarHBondContact O-CB 3.32Å; P32-L35 PolarHBondContact O-N 3.19Å; P32-H36 PolarHBondContact O-CD2 2.98Å; P32-H36 VanDerWaalsContact O-CD2 3.29Å
33I95.8Very high96.1Very high0 Ų017.4 Ų17.40%011%0.107CC..Hα-helixtrans-48.1-49.9-179.8-71.3170.1000111.4P24 V26 F28 K31 L35 H36 S109 I112 I219 F225P24-I33 PolarHBondContact O-N 3.06Å; V26-I33 HydrophobicContact CB-CD1 4.09Å; V26-I33 WeakPolarHBondContact O-CG1 3.37Å; V26-I33 PolarHBondContact O-N 3.44Å; F28-I33 HydrophobicContact CB-CG1 3.73Å; K31-I33 PolarHBondContact O-N 3.42Å; I33-L35 VanDerWaalsContact C-N 3.27Å; I33-L35 PolarHBondContact O-N 2.93Å; I33-H36 PolarHBondContact O-N 3.41Å; I33-S109 WeakPolarHBondContact CG2-O 3.5Å; I33-I112 HydrophobicContact CG2-CD1 4.46Å; I33-I219 HydrophobicContact CB-CD1 4.48Å; I33-I219 HydrophobicContact CD1-CD1 3.48Å; I33-I219 VanDerWaalsContact CD1-CD1 3.48Å; I33-I219 HydrophobicContact CD1-CG1 4.36Å; I33-I219 HydrophobicContact CG1-CD1 3.58Å; I33-I219 HydrophobicContact CG2-CD1 4.08Å; I33-F225 HydrophobicContact CD1-CE2 4.34Å
34L95.4Very high96.3Very high0 Ų017.3 Ų17.30%011%0.111CC..Hα-helixtrans-61.8-36-177.5-175.661.8000112.6I5 V7 P24 P32 H36 Q37 V38 L51 L60 M64I5-L34 HydrophobicContact CB-CD1 4.43Å; I5-L34 HydrophobicContact CD1-CD1 3.75Å; I5-L34 HydrophobicContact CG2-CD1 3.82Å; V7-L34 HydrophobicContact CG2-CD1 4.24Å; P24-L34 HydrophobicContact CB-CB 3.88Å; P24-L34 HydrophobicContact CB-CD2 4.07Å; P24-L34 HydrophobicContact CB-CG 4.49Å; P24-L34 WeakPolarHBondContact O-CB 3.27Å; P24-L34 PolarHBondContact O-N 3.18Å; P32-L34 VanDerWaalsContact C-N 3.26Å; P32-L34 PolarHBondContact O-N 3.41Å; L34-H36 VanDerWaalsContact C-N 3.27Å; L34-H36 PolarHBondContact O-N 2.96Å; L34-Q37 PolarHBondContact O-N 2.95Å; L34-Q37 VanDerWaalsContact O-N 3.09Å; L34-V38 HydrophobicContact CD1-CG2 4.28Å; L34-V38 HydrophobicContact CG-CG2 4.04Å; L34-V38 WeakPolarHBondContact O-CG2 3.33Å; L34-V38 PolarHBondContact O-N 2.96Å; L34-L51 HydrophobicContact CD1-CD2 4.09Å; L34-L51 HydrophobicContact CD2-CD1 3.9Å; L34-L51 HydrophobicContact CD2-CD2 4.07Å; L34-L60 HydrophobicContact CD2-CD1 4.18Å; L34-M64 HydrophobicContact CD2-CE 4.08Å; L34-M64 HydrophobicContact CD2-SD 3.62Å
35L96.1Very high96.5Very high12 Ų1219.2 Ų19.26%0.06313%0.132CC..Hα-helixtrans-69.6-26.4-173.9-169.658.2000112.3K31 P32 I33 Q37 V38 E39 Q67 L71K31-L35 HydrophobicContact CD-CB 4.07Å; K31-L35 HydrophobicContact CD-CD2 4.31Å; K31-L35 HydrophobicContact CD-CG 4.08Å; K31-L35 HydrophobicContact CG-CB 3.91Å; K31-L35 HydrophobicContact CG-CD2 3.98Å; K31-L35 HydrophobicContact CG-CG 4.14Å; P32-L35 HydrophobicContact CB-CB 4.13Å; P32-L35 WeakPolarHBondContact O-CB 3.32Å; P32-L35 PolarHBondContact O-N 3.19Å; I33-L35 VanDerWaalsContact C-N 3.27Å; I33-L35 PolarHBondContact O-N 2.93Å; L35-Q37 VanDerWaalsContact C-N 3.29Å; L35-Q37 PolarHBondContact O-N 3.44Å; L35-V38 HydrophobicContact CD1-CB 4.45Å; L35-E39 HydrophobicContact CD1-CG 3.97Å; L35-E39 HydrophobicContact CG-CG 4.1Å; L35-E39 WeakPolarHBondContact O-CB 3.2Å; L35-E39 WeakPolarHBondContact O-CG 3.32Å; L35-E39 PolarHBondContact O-N 2.8Å; L35-Q67 HydrophobicContact CD1-CB 4.27Å; L35-Q67 HydrophobicContact CD1-CG 3.9Å; L35-L71 HydrophobicContact CD1-CD1 4.26Å
36H97.4Very high96.7Very high12 Ų1218.7 Ų18.76%0.05613%0.129CC..Hα-helixtrans-59.4-41.9170.6-68.4-87.5000111.8F28 K31 P32 I33 L34 A40 I112 F115 F232F28-H36 AromaticContact CD1-NE2 3.89Å; F28-H36 PolarHBondContact O-NE2 2.87Å; K31-H36 PolarHBondContact O-NE2 3.48Å; P32-H36 PolarHBondContact O-CD2 2.98Å; P32-H36 VanDerWaalsContact O-CD2 3.29Å; I33-H36 PolarHBondContact O-N 3.41Å; L34-H36 VanDerWaalsContact C-N 3.27Å; L34-H36 PolarHBondContact O-N 2.96Å; H36-A40 WeakPolarHBondContact O-CB 3.49Å; H36-A40 PolarHBondContact O-N 2.89Å; H36-I112 HydrophobicContact CB-CD1 4.1Å; H36-F115 HydrophobicContact CB-CE2 3.98Å; H36-F115 HydrophobicContact CB-CZ 4.4Å; H36-F232 AromaticContact CE1-CZ 3.93Å
37Q97.1Very high96.7Very high1 Ų123 Ų231%0.00515%0.152CC..Hα-helixtrans-74-45.8179.6-57.9-172.118.800111.4I5 L34 L35 E39 A40 L41 L107 N108 S109 V111 F115I5-Q37 HydrophobicContact CD1-CB 4.3Å; L34-Q37 PolarHBondContact O-N 2.95Å; L34-Q37 VanDerWaalsContact O-N 3.09Å; L35-Q37 VanDerWaalsContact C-N 3.29Å; L35-Q37 PolarHBondContact O-N 3.44Å; Q37-E39 PolarHBondContact O-N 3.14Å; Q37-A40 PolarHBondContact O-N 2.84Å; Q37-L41 WeakPolarHBondContact O-CB 3.39Å; Q37-L41 VanDerWaalsContact O-CG 3.26Å; Q37-L41 WeakPolarHBondContact O-CG 2.86Å; Q37-L41 PolarHBondContact O-N 3.47Å; Q37-L107 HydrophobicContact CB-CD2 4.2Å; Q37-L107 HydrophobicContact CG-CD2 4.4Å; Q37-N108 PolarHBondContact NE2-O 2.82Å; Q37-N108 PolarHBondContact OE1-O 3Å; Q37-S109 PolarHBondContact NE2-O 3.21Å; Q37-V111 PolarHBondContact NE2-O 2.92Å; Q37-V111 VanDerWaalsContact NE2-O 3.16Å; Q37-F115 HydrophobicContact CG-CE1 3.73Å; Q37-F115 HydrophobicContact CG-CZ 3.76Å
38V97.6Very high96.8Very high1 Ų122.7 Ų22.71%0.00615%0.15CC..Hα-helixtrans-62.7-43.4-177.7176.90000111.5I5 L34 L35 L41 A42 V49 L71 I73 I75I5-V38 HydrophobicContact CD1-CG2 3.9Å; L34-V38 HydrophobicContact CD1-CG2 4.28Å; L34-V38 HydrophobicContact CG-CG2 4.04Å; L34-V38 WeakPolarHBondContact O-CG2 3.33Å; L34-V38 PolarHBondContact O-N 2.96Å; L35-V38 HydrophobicContact CD1-CB 4.45Å; V38-L41 PolarHBondContact O-N 2.79Å; V38-A42 WeakPolarHBondContact O-CB 3.38Å; V38-A42 PolarHBondContact O-N 2.95Å; V38-V49 HydrophobicContact CG2-CG1 4.42Å; V38-L71 HydrophobicContact CG1-CD1 3.66Å; V38-I73 HydrophobicContact CG1-CD1 3.73Å; V38-I75 HydrophobicContact CG1-CD1 4.09Å
39E97.3Very high96.8Very high48 Ų4822.7 Ų22.722%0.22415%0.15CC..Hα-helixtrans-64.9-41.5176.2-73.4-175.6159.600112.4K31 L35 Q37 L41 A42 A43 R70 L71K31-E39 WeakPolarHBondContact CE-OE2 3.25Å; K31-E39 IonicContact NZ-OE2 2.73Å; K31-E39 PolarHBondContact NZ-OE2 2.96Å; L35-E39 HydrophobicContact CD1-CG 3.97Å; L35-E39 HydrophobicContact CG-CG 4.1Å; L35-E39 WeakPolarHBondContact O-CB 3.2Å; L35-E39 WeakPolarHBondContact O-CG 3.32Å; L35-E39 PolarHBondContact O-N 2.8Å; Q37-E39 PolarHBondContact O-N 3.14Å; E39-L41 VanDerWaalsContact C-N 3.35Å; E39-A42 PolarHBondContact O-N 3.48Å; E39-A43 WeakPolarHBondContact O-CB 3.49Å; E39-A43 PolarHBondContact O-N 3.31Å; E39-R70 IonicContact OE1-CZ 2.62Å; E39-R70 VanDerWaalsContact OE1-CZ 3.27Å; E39-R70 IonicContact OE1-NH1 3.63Å; E39-R70 PolarHBondContact OE1-NH1 3.46Å; E39-R70 IonicContact OE1-NH2 2.66Å; E39-R70 PolarHBondContact OE1-NH2 3.35Å; E39-L71 HydrophobicContact CG-CD1 4.18Å; E39-L71 HydrophobicContact CG-CD2 3.99Å
40A97.4Very high96.8Very high24 Ų2422.5 Ų22.520%0.19815%0.149CC..Hα-helixtrans-65.3-38.6177.200000111.8H36 Q37 A43 A44 F115 F117H36-A40 WeakPolarHBondContact O-CB 3.49Å; H36-A40 PolarHBondContact O-N 2.89Å; Q37-A40 PolarHBondContact O-N 2.84Å; A40-A43 PolarHBondContact O-N 3.4Å; A40-A44 PolarHBondContact O-N 3.25Å; A40-A44 VanDerWaalsContact O-N 3.13Å; A40-F115 HydrophobicContact CB-CB 3.65Å; A40-F115 HydrophobicContact CB-CD2 4.02Å; A40-F115 HydrophobicContact CB-CG 3.97Å; A40-F117 HydrophobicContact CB-CD2 3.91Å; A40-F117 HydrophobicContact CB-CE2 3.57Å
41L98.1Very high96.8Very high0 Ų020.6 Ų20.60%014%0.139CC..Hα-helixtrans-64.1-47.1174.3-73.1166.2000111.4A3 I5 Q37 V38 E39 A43 A44 G45 V46 V49 F105 L107 F117A3-L41 HydrophobicContact CB-CD1 3.75Å; A3-L41 HydrophobicContact CB-CD2 4.01Å; A3-L41 HydrophobicContact CB-CG 4.43Å; I5-L41 HydrophobicContact CD1-CD1 3.93Å; I5-L41 HydrophobicContact CG1-CD1 4.3Å; Q37-L41 WeakPolarHBondContact O-CB 3.39Å; Q37-L41 VanDerWaalsContact O-CG 3.26Å; Q37-L41 WeakPolarHBondContact O-CG 2.86Å; Q37-L41 PolarHBondContact O-N 3.47Å; V38-L41 PolarHBondContact O-N 2.79Å; E39-L41 VanDerWaalsContact C-N 3.35Å; L41-A43 VanDerWaalsContact C-N 3.32Å; L41-A43 PolarHBondContact O-N 3.15Å; L41-A44 CarbonylContact O-C 3.57Å; L41-A44 WeakPolarHBondContact O-CA 3.33Å; L41-A44 WeakPolarHBondContact O-CB 3.22Å; L41-A44 PolarHBondContact O-N 3.22Å; L41-G45 PolarHBondContact O-N 2.85Å; L41-V46 HydrophobicContact CB-CB 3.98Å; L41-V46 HydrophobicContact CB-CG1 4.35Å; L41-V46 HydrophobicContact CB-CG2 3.96Å; L41-V46 HydrophobicContact CD2-CG2 3.94Å; L41-V46 VanDerWaalsContact O-CB 3.29Å; L41-V46 WeakPolarHBondContact O-CB 3.42Å; L41-V46 WeakPolarHBondContact O-CG2 3.32Å; L41-V46 PolarHBondContact O-N 3.23Å; L41-V49 HydrophobicContact CD1-CG2 4.35Å; L41-F105 HydrophobicContact CD2-CB 3.99Å; L41-F105 HydrophobicContact CD2-CD1 4.47Å; L41-F105 HydrophobicContact CD2-CD2 3.71Å; L41-F105 HydrophobicContact CD2-CE2 4.24Å; L41-F105 HydrophobicContact CD2-CG 3.82Å; L41-L107 HydrophobicContact CD1-CD1 4.06Å; L41-L107 HydrophobicContact CD1-CD2 4.23Å; L41-L107 HydrophobicContact CD2-CD1 4.12Å; L41-F117 HydrophobicContact CB-CE2 4.43Å; L41-F117 HydrophobicContact CD2-CD1 4.44Å; L41-F117 HydrophobicContact CD2-CD2 3.76Å; L41-F117 HydrophobicContact CD2-CE1 4.37Å; L41-F117 HydrophobicContact CD2-CE2 3.64Å; L41-F117 HydrophobicContact CD2-CG 4.18Å; L41-F117 HydrophobicContact CD2-CZ 4Å; L41-F117 HydrophobicContact CG-CD2 4.04Å; L41-F117 HydrophobicContact CG-CE2 3.6Å; L41-F117 HydrophobicContact CG-CZ 4.19Å
42A97.6Very high96.7Very high25 Ų2518.8 Ų18.821%0.20713%0.132CC..Hα-helixtrans-58.3-45176.700000111.4V38 E39 A44 G45 I73V38-A42 WeakPolarHBondContact O-CB 3.38Å; V38-A42 PolarHBondContact O-N 2.95Å; E39-A42 PolarHBondContact O-N 3.48Å; A42-A44 PolarHBondContact O-N 3.05Å; A42-G45 PolarHBondContact O-N 2.9Å; A42-I73 HydrophobicContact CB-CD1 4.38Å; A42-I73 HydrophobicContact CB-CG2 3.91Å
43A96.6Very high96.5Very high76 Ų7617.8 Ų17.863%0.62813%0.126SC*.Hα-helixtrans-63.6-21.4175.600000113.7E39 A40 L41 G45 Q118E39-A43 WeakPolarHBondContact O-CB 3.49Å; E39-A43 PolarHBondContact O-N 3.31Å; A40-A43 PolarHBondContact O-N 3.4Å; L41-A43 VanDerWaalsContact C-N 3.32Å; L41-A43 PolarHBondContact O-N 3.15Å; A43-G45 VanDerWaalsContact C-N 3.35Å; A43-Q118 PolarHBondContact O-NE2 2.96Å
44A97Very high95.7Very high21 Ų2119.7 Ų19.717%0.17414%0.139CC..THydrogen-bonded Turntrans-88.52174.200000113.8A40 L41 A42 F117 Q118A40-A44 PolarHBondContact O-N 3.25Å; A40-A44 VanDerWaalsContact O-N 3.13Å; L41-A44 CarbonylContact O-C 3.57Å; L41-A44 WeakPolarHBondContact O-CA 3.33Å; L41-A44 WeakPolarHBondContact O-CB 3.22Å; L41-A44 PolarHBondContact O-N 3.22Å; A42-A44 PolarHBondContact O-N 3.05Å; A44-F117 HydrophobicContact CB-CB 3.55Å; A44-F117 HydrophobicContact CB-CD2 4.46Å; A44-Q118 HydrophobicContact CB-CG 4.16Å
45G96.3Very high94.7Very high49 Ų4927.1 Ų27.151%0.50517%0.168SC..THydrogen-bonded Turntrans89.218.6179.500000114.5L41 A42 A43L41-G45 PolarHBondContact O-N 2.85Å; A42-G45 PolarHBondContact O-N 2.9Å; A43-G45 VanDerWaalsContact C-N 3.35Å
46V97.8Very high93.3Very high3 Ų329.3 Ų29.32%0.01818%0.178CC..  trans-74.3125.5167.9175.80000108.8M1 A3 L41 V49 I73 F105M1-V46 HydrophobicContact CG-CG2 4.42Å; M1-V46 CarbonylContact O-C 3.56Å; M1-V46 VanDerWaalsContact O-CA 3.27Å; M1-V46 WeakPolarHBondContact O-CA 3.2Å; M1-V46 WeakPolarHBondContact O-CG1 3.31Å; A3-V46 HydrophobicContact CB-CG1 3.85Å; A3-V46 HydrophobicContact CB-CG2 4.46Å; L41-V46 HydrophobicContact CB-CB 3.98Å; L41-V46 HydrophobicContact CB-CG1 4.35Å; L41-V46 HydrophobicContact CB-CG2 3.96Å; L41-V46 HydrophobicContact CD2-CG2 3.94Å; L41-V46 VanDerWaalsContact O-CB 3.29Å; L41-V46 WeakPolarHBondContact O-CB 3.42Å; L41-V46 WeakPolarHBondContact O-CG2 3.32Å; L41-V46 PolarHBondContact O-N 3.23Å; V46-V49 HydrophobicContact CG1-CG2 3.9Å; V46-I73 VanDerWaalsContact O-CG2 3.25Å; V46-I73 WeakPolarHBondContact O-CG2 3.41Å; V46-F105 HydrophobicContact CG2-CD2 3.71Å; V46-F105 HydrophobicContact CG2-CE2 3.84Å
47D96.8Very high92Very high90 Ų9029.2 Ų29.248%0.48118%0.179SC..  trans-104.1-15.3-179.250.630.2000112.5M1 I73 R74M1-D47 PolarHBondContact N-OD1 3.44Å; M1-D47 VanDerWaalsContact N-OD1 3.13Å; M1-D47 PolarHBondContact N-OD2 3.28Å; M1-D47 PolarHBondContact O-N 3.18Å; D47-I73 CarbonylContact O-C 3.43Å; D47-I73 WeakPolarHBondContact O-CA 3.3Å; D47-R74 PolarHBondContact O-N 2.67Å
48H97.8Very high91.3Very high7 Ų737.2 Ų37.23%0.03222%0.216CC..EExtended strand (participates in β ladder)trans-142.4115.2-179.8-173.5-172.1000111.5K2 A3 R74 S76K2-H48 CarbonylContact C-O 3.51Å; K2-H48 VanDerWaalsContact CA-O 3.32Å; K2-H48 WeakPolarHBondContact CA-O 3.34Å; K2-H48 HydrophobicContact CG-CB 4.24Å; A3-H48 PolarHBondContact N-O 2.65Å; H48-R74 CarbonylContact C-O 3.57Å; H48-R74 WeakPolarHBondContact CA-O 3.35Å; H48-R74 HydrophobicContact CB-CB 4.29Å; H48-R74 PolarHBondContact CD2-O 2.72Å; H48-S76 PolarHBondContact NE2-OG 2.69Å
49V98.2Very high90.8Very high0 Ų041.5 Ų41.50%024%0.243CC..EExtended strand (participates in β ladder)trans-102.5130.4173.71780000110.1A3 I5 V38 L41 V46 L51 I73 R74 I75 S76A3-V49 HydrophobicContact CB-CG2 4.43Å; A3-V49 CarbonylContact O-C 3.57Å; A3-V49 WeakPolarHBondContact O-CA 3.4Å; I5-V49 HydrophobicContact CD1-CG1 3.8Å; I5-V49 HydrophobicContact CG1-CG1 4.11Å; V38-V49 HydrophobicContact CG2-CG1 4.42Å; L41-V49 HydrophobicContact CD1-CG2 4.35Å; V46-V49 HydrophobicContact CG1-CG2 3.9Å; V49-L51 HydrophobicContact CG1-CD2 3.77Å; V49-I73 HydrophobicContact CG2-CD1 3.79Å; V49-R74 PolarHBondContact N-O 3.27Å; V49-I75 HydrophobicContact CB-CG1 4.48Å; V49-I75 CarbonylContact O-C 3.57Å; V49-I75 WeakPolarHBondContact O-CA 3.33Å; V49-S76 PolarHBondContact O-N 3.43Å
50I96.8Very high90.3Very high0 Ų039.4 Ų39.40%023%0.233CC..EExtended strand (participates in β ladder)trans-110.2117.1177.7-55165.6000107.8A3 L4 I5 S76 A93 L96 L97A3-I50 PolarHBondContact O-N 3.08Å; L4-I50 CarbonylContact C-O 3.57Å; L4-I50 VanDerWaalsContact CA-O 3.26Å; L4-I50 WeakPolarHBondContact CA-O 3.47Å; L4-I50 HydrophobicContact CB-CB 4.47Å; L4-I50 HydrophobicContact CD1-CG2 4.35Å; L4-I50 HydrophobicContact CG-CB 4.49Å; I5-I50 PolarHBondContact N-O 3.3Å; I50-S76 CarbonylContact C-O 3.51Å; I50-S76 VanDerWaalsContact CA-O 3.31Å; I50-S76 WeakPolarHBondContact CA-O 3.37Å; I50-A93 HydrophobicContact CD1-CB 4.42Å; I50-A93 HydrophobicContact CG2-CB 4.25Å; I50-L96 HydrophobicContact CD1-CB 3.78Å; I50-L96 HydrophobicContact CD1-CD1 4.09Å; I50-L96 HydrophobicContact CG1-CD1 4.46Å; I50-L97 HydrophobicContact CD1-CD2 3.74Å; I50-L97 HydrophobicContact CD1-CG 4.14Å
51L95.8Very high89.9Confident0 Ų041.5 Ų41.50%024%0.239CC..EExtended strand (participates in β ladder)trans-94109.8176.9-55.6-178.2000109.2I5 V7 L34 V49 V53 M64 I75 S76 M77 S78I5-L51 HydrophobicContact CB-CD2 3.96Å; I5-L51 HydrophobicContact CD1-CD2 4.05Å; I5-L51 HydrophobicContact CG1-CD2 4.32Å; V7-L51 HydrophobicContact CG2-CB 4.23Å; V7-L51 HydrophobicContact CG2-CD2 4.12Å; L34-L51 HydrophobicContact CD1-CD2 4.09Å; L34-L51 HydrophobicContact CD2-CD1 3.9Å; L34-L51 HydrophobicContact CD2-CD2 4.07Å; V49-L51 HydrophobicContact CG1-CD2 3.77Å; L51-V53 HydrophobicContact CB-CG1 4.16Å; L51-V53 PolarHBondContact O-N 3.46Å; L51-M64 HydrophobicContact CD1-CG 3.6Å; L51-M64 HydrophobicContact CD1-SD 3.73Å; L51-I75 HydrophobicContact CD1-CG2 3.86Å; L51-I75 HydrophobicContact CG-CG2 4.03Å; L51-S76 PolarHBondContact N-O 3.02Å; L51-M77 HydrophobicContact CB-CG 4.47Å; L51-M77 CarbonylContact O-C 3.56Å; L51-M77 WeakPolarHBondContact O-CA 3.45Å; L51-S78 PolarHBondContact O-N 3.22Å
52A93.6Very high89.5Confident4 Ų449.5 Ų49.53%0.03327%0.273CS..EExtended strand (participates in β ladder)trans-79.2105.1173.700000109.7L4 I5 L6 V7 P89L4-A52 HydrophobicContact CD2-CB 4.03Å; L4-A52 HydrophobicContact CG-CB 4.42Å; I5-A52 PolarHBondContact O-N 3.22Å; L6-A52 HydrophobicContact CD2-CB 4.18Å; V7-A52 CarbonylContact C-O 3.51Å; V7-A52 VanDerWaalsContact CA-O 3.25Å; V7-A52 WeakPolarHBondContact CA-O 3.33Å; V7-A52 VanDerWaalsContact CB-O 3.31Å; V7-A52 WeakPolarHBondContact CB-O 3.41Å; V7-A52 PolarHBondContact N-O 2.88Å; A52-P89 HydrophobicContact CB-CB 3.51Å; A52-P89 HydrophobicContact CB-CG 4.09Å
53V89.8Confident89.2Confident1 Ų151.4 Ų51.41%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-119.4132.5-171.4-65.90000110.7V7 L51 M56 L60 M77 S78 H79 E80V7-V53 HydrophobicContact CB-CG1 3.84Å; V7-V53 HydrophobicContact CG1-CG1 3.85Å; L51-V53 HydrophobicContact CB-CG1 4.16Å; L51-V53 PolarHBondContact O-N 3.46Å; V53-M56 HydrophobicContact CG2-CE 3.69Å; V53-M56 HydrophobicContact CG2-SD 3.92Å; V53-L60 HydrophobicContact CG1-CD2 3.98Å; V53-M77 HydrophobicContact CG2-CB 4.17Å; V53-S78 PolarHBondContact N-O 3.45Å; V53-H79 WeakPolarHBondContact O-CA 3.48Å; V53-E80 PolarHBondContact O-N 3.08Å
54S80.3Confident89Confident39 Ų3948 Ų4827%0.27325%0.249SC..SBendtrans-88.1-14.6171.665.80000112.9
55Y72.9Confident88.8Confident156 Ų15652.1 Ų52.161%0.61226%0.263SS*.SBendtrans-145.9121.8176.8176.1-102.2000109.4S57Y55-S57 PolarHBondContact O-N 2.99Å
56M66.5Low88.7Confident58 Ų5852 Ų5229%0.28626%0.258SS..  trans-9095.9177.1-162.775.476.100110.5V53 M77 H79V53-M56 HydrophobicContact CG2-CE 3.69Å; V53-M56 HydrophobicContact CG2-SD 3.92Å; M56-M77 HydrophobicContact CE-CB 3.25Å; M56-M77 HydrophobicContact CE-CG 3.87Å; M56-M77 HydrophobicContact SD-CB 3.84Å; M56-M77 HydrophobicContact SD-CG 3.78Å; M56-H79 HydrophobicContact CE-CB 4.5Å
57S71.2Confident88.5Confident10 Ų1052.8 Ų52.87%0.0726%0.261CS..  trans-74.2132.5166.1760000109.5Y55 V59 L60 E61Y55-S57 PolarHBondContact O-N 2.99Å; S57-V59 PolarHBondContact O-N 2.69Å; S57-V59 VanDerWaalsContact O-N 3.09Å; S57-L60 PolarHBondContact O-N 3.3Å; S57-L60 WeakPolarHBondContact OG-CB 3.33Å; S57-L60 PolarHBondContact OG-N 3.2Å; S57-E61 PolarHBondContact O-N 2.81Å
58Q82.4Confident88.4Confident169 Ų16951.7 Ų51.779%0.7925%0.253SS*.Hα-helixtrans-54.4-29.5173.2-68.4178.6-1100112.1K62Q58-K62 WeakPolarHBondContact O-CB 3.46Å; Q58-K62 PolarHBondContact O-N 2.95Å
59V86.2Confident88.1Confident92 Ų9259.1 Ų59.156%0.55829%0.288SS*.Hα-helixtrans-64.8-47.2176.5-174.90000111.3L25 S57 K62 E63L25-V59 HydrophobicContact CD1-CB 4.37Å; L25-V59 HydrophobicContact CD1-CG1 3.75Å; S57-V59 PolarHBondContact O-N 2.69Å; S57-V59 VanDerWaalsContact O-N 3.09Å; V59-K62 PolarHBondContact O-N 2.83Å; V59-E63 WeakPolarHBondContact O-CB 3.43Å; V59-E63 PolarHBondContact O-N 2.97Å
60L88.1Confident88Confident4 Ų465.3 Ų65.32%0.02131%0.311CS..Hα-helixtrans-61.5-45.1176.5-179.764.4000111.3V7 L25 L34 V53 S57 K62 E63 M64V7-L60 HydrophobicContact CG1-CD2 4.43Å; L25-L60 HydrophobicContact CD1-CB 4.26Å; L25-L60 HydrophobicContact CD1-CD1 4.36Å; L25-L60 HydrophobicContact CD2-CD1 3.81Å; L25-L60 HydrophobicContact CG-CD1 4.01Å; L34-L60 HydrophobicContact CD2-CD1 4.18Å; V53-L60 HydrophobicContact CG1-CD2 3.98Å; S57-L60 PolarHBondContact O-N 3.3Å; S57-L60 WeakPolarHBondContact OG-CB 3.33Å; S57-L60 PolarHBondContact OG-N 3.2Å; L60-K62 PolarHBondContact O-N 2.7Å; L60-E63 PolarHBondContact O-N 2.68Å; L60-M64 HydrophobicContact CD1-CE 4.34Å; L60-M64 HydrophobicContact CD1-CG 3.87Å; L60-M64 HydrophobicContact CD1-SD 4.44Å; L60-M64 HydrophobicContact CG-CG 4.24Å; L60-M64 WeakPolarHBondContact O-CB 3.49Å; L60-M64 WeakPolarHBondContact O-CG 3.42Å; L60-M64 PolarHBondContact O-N 3.46Å
61E87.8Confident88Confident68 Ų6867.4 Ų67.432%0.31832%0.322SS..Hα-helixtrans-61.5-46.6179.6-167.2-169.6160.600111.8S57 E63 M64 K65 M77S57-E61 PolarHBondContact O-N 2.81Å; E61-E63 PolarHBondContact O-N 3.4Å; E61-M64 PolarHBondContact O-N 2.95Å; E61-K65 WeakPolarHBondContact O-CG 3.26Å; E61-K65 PolarHBondContact O-N 2.87Å; E61-K65 VanDerWaalsContact OE1-CE 3.29Å; E61-K65 WeakPolarHBondContact OE1-CE 3.45Å; E61-K65 IonicContact OE1-NZ 3.32Å; E61-K65 PolarHBondContact OE1-NZ 3.27Å; E61-M77 HydrophobicContact CB-CE 4.46Å; E61-M77 HydrophobicContact CG-CE 4.1Å; E61-M77 HydrophobicContact CG-SD 4.25Å
62K90.8Very high88Confident167 Ų16770.7 Ų70.773%0.72636%0.356SS*.Hα-helixtrans-60.7-46177.9-177.6-178.7176.8-176.60111.7Q58 V59 L60 K65 A66Q58-K62 WeakPolarHBondContact O-CB 3.46Å; Q58-K62 PolarHBondContact O-N 2.95Å; V59-K62 PolarHBondContact O-N 2.83Å; L60-K62 PolarHBondContact O-N 2.7Å; K62-K65 PolarHBondContact O-N 3.39Å; K62-A66 PolarHBondContact O-N 3.33Å
63E91Very high88.2Confident66 Ų6671.3 Ų71.331%0.30836%0.359SS..Hα-helixtrans-63.8-46.9179.7-17457.5-148.700110.8L25 V59 L60 E61 K65 A66 Q67L25-E63 HydrophobicContact CD2-CB 4.25Å; L25-E63 HydrophobicContact CD2-CG 3.97Å; V59-E63 WeakPolarHBondContact O-CB 3.43Å; V59-E63 PolarHBondContact O-N 2.97Å; L60-E63 PolarHBondContact O-N 2.68Å; E61-E63 PolarHBondContact O-N 3.4Å; E63-K65 VanDerWaalsContact C-N 3.32Å; E63-K65 PolarHBondContact O-N 3.01Å; E63-A66 WeakPolarHBondContact O-CB 3.49Å; E63-A66 PolarHBondContact O-N 2.88Å; E63-A66 VanDerWaalsContact O-N 3.08Å; E63-Q67 WeakPolarHBondContact O-CG 3.36Å; E63-Q67 PolarHBondContact O-N 3.41Å; E63-Q67 PolarHBondContact OE1-NE2 3.43Å
64M92.4Very high88.5Confident3 Ų377.9 Ų77.92%0.01538%0.383CS..Hα-helixtrans-63.5-35.8-179.9-68.7-58.497.400112.8L25 L34 L51 L60 E61 A66 Q67 E68 I75 M77L25-M64 HydrophobicContact CD2-CE 4.39Å; L34-M64 HydrophobicContact CD2-CE 4.08Å; L34-M64 HydrophobicContact CD2-SD 3.62Å; L51-M64 HydrophobicContact CD1-CG 3.6Å; L51-M64 HydrophobicContact CD1-SD 3.73Å; L60-M64 HydrophobicContact CD1-CE 4.34Å; L60-M64 HydrophobicContact CD1-CG 3.87Å; L60-M64 HydrophobicContact CD1-SD 4.44Å; L60-M64 HydrophobicContact CG-CG 4.24Å; L60-M64 WeakPolarHBondContact O-CB 3.49Å; L60-M64 WeakPolarHBondContact O-CG 3.42Å; L60-M64 PolarHBondContact O-N 3.46Å; E61-M64 PolarHBondContact O-N 2.95Å; M64-A66 VanDerWaalsContact C-N 3.32Å; M64-A66 PolarHBondContact O-N 2.87Å; M64-Q67 HydrophobicContact CE-CG 4.12Å; M64-Q67 PolarHBondContact O-N 2.92Å; M64-E68 WeakPolarHBondContact O-CB 3.44Å; M64-E68 PolarHBondContact O-N 3.49Å; M64-I75 HydrophobicContact CB-CG2 4.1Å; M64-I75 HydrophobicContact CG-CG2 4.39Å; M64-I75 HydrophobicContact SD-CD1 4.44Å; M64-I75 HydrophobicContact SD-CG2 4.42Å; M64-M77 HydrophobicContact CB-CE 3.46Å; M64-M77 VanDerWaalsContact CB-CE 3.46Å; M64-M77 HydrophobicContact CG-CE 4.05Å
65K92.6Very high89.3Confident109 Ų10976.3 Ų76.347%0.47437%0.372SS..Hα-helixtrans-61.2-39.4172.3-76.4177.4-176168.10112.7E61 K62 E63 E68 Q69E61-K65 WeakPolarHBondContact O-CG 3.26Å; E61-K65 PolarHBondContact O-N 2.87Å; E61-K65 VanDerWaalsContact OE1-CE 3.29Å; E61-K65 WeakPolarHBondContact OE1-CE 3.45Å; E61-K65 IonicContact OE1-NZ 3.32Å; E61-K65 PolarHBondContact OE1-NZ 3.27Å; K62-K65 PolarHBondContact O-N 3.39Å; E63-K65 VanDerWaalsContact C-N 3.32Å; E63-K65 PolarHBondContact O-N 3.01Å; K65-E68 WeakPolarHBondContact O-CB 3.37Å; K65-Q69 PolarHBondContact O-N 3.09Å
66A93.4Very high90.3Very high47 Ų4770 Ų7039%0.38835%0.35SS..Hα-helixtrans-66.7-39.6175.600000111.5K62 E63 M64 R70K62-A66 PolarHBondContact O-N 3.33Å; E63-A66 WeakPolarHBondContact O-CB 3.49Å; E63-A66 PolarHBondContact O-N 2.88Å; E63-A66 VanDerWaalsContact O-N 3.08Å; M64-A66 VanDerWaalsContact C-N 3.32Å; M64-A66 PolarHBondContact O-N 2.87Å; A66-R70 PolarHBondContact O-N 3.16Å; A66-R70 VanDerWaalsContact O-N 3.14Å
67Q94.3Very high91.5Very high19 Ų1969.5 Ų69.59%0.08935%0.348CS..Hα-helixtrans-70.6-36.2177.8-59-51.6-35.800112.8L35 E63 M64 Q69 R70 L71 I75L35-Q67 HydrophobicContact CD1-CB 4.27Å; L35-Q67 HydrophobicContact CD1-CG 3.9Å; E63-Q67 WeakPolarHBondContact O-CG 3.36Å; E63-Q67 PolarHBondContact O-N 3.41Å; E63-Q67 PolarHBondContact OE1-NE2 3.43Å; M64-Q67 HydrophobicContact CE-CG 4.12Å; M64-Q67 PolarHBondContact O-N 2.92Å; Q67-Q69 PolarHBondContact O-N 3.03Å; Q67-R70 PolarHBondContact O-N 2.83Å; Q67-L71 WeakPolarHBondContact O-CB 3.26Å; Q67-L71 WeakPolarHBondContact O-CG 3.33Å; Q67-L71 PolarHBondContact O-N 2.95Å; Q67-I75 HydrophobicContact CB-CD1 4.29Å
68E94.3Very high92.5Very high66 Ų6669.8 Ų69.831%0.30835%0.35SS..Hα-helixtrans-52.6-53.5173.3-168-179.2113.500110.6M64 K65 R70 L71 G72 I73 I75M64-E68 WeakPolarHBondContact O-CB 3.44Å; M64-E68 PolarHBondContact O-N 3.49Å; K65-E68 WeakPolarHBondContact O-CB 3.37Å; E68-R70 PolarHBondContact O-N 3.29Å; E68-L71 PolarHBondContact O-N 2.78Å; E68-G72 PolarHBondContact O-N 2.87Å; E68-I73 WeakPolarHBondContact CG-O 3.42Å; E68-I75 HydrophobicContact CB-CB 4.43Å; E68-I75 HydrophobicContact CB-CD1 4.28Å; E68-I75 HydrophobicContact CB-CG1 4.2Å; E68-I75 HydrophobicContact CG-CB 4.47Å; E68-I75 HydrophobicContact CG-CG1 4.33Å; E68-I75 PolarHBondContact OE2-N 2.7Å
69Q93Very high92.8Very high164 Ų16466 Ų6677%0.76633%0.332SS*.Hα-helixtrans-63.7-42.5179.3-67.7177.7-1.700112.6K65 Q67K65-Q69 PolarHBondContact O-N 3.09Å; Q67-Q69 PolarHBondContact O-N 3.03Å
70R95.9Very high92.8Very high130 Ų13062.4 Ų62.449%0.49131%0.309SS..Hα-helixtrans-66.6-37.7-178.5-174-177.46592.3-1.5112.5E39 A66 Q67 E68E39-R70 IonicContact OE1-CZ 2.62Å; E39-R70 VanDerWaalsContact OE1-CZ 3.27Å; E39-R70 IonicContact OE1-NH1 3.63Å; E39-R70 PolarHBondContact OE1-NH1 3.46Å; E39-R70 IonicContact OE1-NH2 2.66Å; E39-R70 PolarHBondContact OE1-NH2 3.35Å; A66-R70 PolarHBondContact O-N 3.16Å; A66-R70 VanDerWaalsContact O-N 3.14Å; Q67-R70 PolarHBondContact O-N 2.83Å; E68-R70 PolarHBondContact O-N 3.29Å
71L95.9Very high92.5Very high43 Ų4370.8 Ų70.823%0.22535%0.348CS..Hα-helixtrans-92.3-15.5-174.5-64.7176.1000113.3L35 V38 E39 Q67 E68 I73L35-L71 HydrophobicContact CD1-CD1 4.26Å; V38-L71 HydrophobicContact CG1-CD1 3.66Å; E39-L71 HydrophobicContact CG-CD1 4.18Å; E39-L71 HydrophobicContact CG-CD2 3.99Å; Q67-L71 WeakPolarHBondContact O-CB 3.26Å; Q67-L71 WeakPolarHBondContact O-CG 3.33Å; Q67-L71 PolarHBondContact O-N 2.95Å; E68-L71 PolarHBondContact O-N 2.78Å; L71-I73 HydrophobicContact CB-CG1 3.97Å; L71-I73 HydrophobicContact CD1-CD1 4.44Å; L71-I73 PolarHBondContact O-N 3.32Å
72G95.8Very high92.4Very high70 Ų7074.1 Ų74.172%0.72236%0.364SS*.THydrogen-bonded Turntrans67.925.5-17900000113.5E68E68-G72 PolarHBondContact O-N 2.87Å
73I97.3Very high92.1Very high17 Ų1771.6 Ų71.69%0.08736%0.364CS..SBendtrans-113.5165.5173.864.1165.4000108.8V38 A42 V46 D47 V49 E68 L71 I75V38-I73 HydrophobicContact CG1-CD1 3.73Å; A42-I73 HydrophobicContact CB-CD1 4.38Å; A42-I73 HydrophobicContact CB-CG2 3.91Å; V46-I73 VanDerWaalsContact O-CG2 3.25Å; V46-I73 WeakPolarHBondContact O-CG2 3.41Å; D47-I73 CarbonylContact O-C 3.43Å; D47-I73 WeakPolarHBondContact O-CA 3.3Å; V49-I73 HydrophobicContact CG2-CD1 3.79Å; E68-I73 WeakPolarHBondContact CG-O 3.42Å; L71-I73 HydrophobicContact CB-CG1 3.97Å; L71-I73 HydrophobicContact CD1-CD1 4.44Å; L71-I73 PolarHBondContact O-N 3.32Å; I73-I75 HydrophobicContact CD1-CD1 4.27Å; I73-I75 HydrophobicContact CD1-CG1 4.05Å; I73-I75 HydrophobicContact CG1-CD1 4.49Å; I73-I75 HydrophobicContact CG1-CG1 4.15Å
74R97.3Very high91.9Very high138 Ų13869.5 Ų69.552%0.52136%0.355SS..EExtended strand (participates in β ladder)trans-89.6136.1170.8-174.9178.3-178.1-174-0.6110.6D47 H48 V49D47-R74 PolarHBondContact O-N 2.67Å; H48-R74 CarbonylContact C-O 3.57Å; H48-R74 WeakPolarHBondContact CA-O 3.35Å; H48-R74 HydrophobicContact CB-CB 4.29Å; H48-R74 PolarHBondContact CD2-O 2.72Å; V49-R74 PolarHBondContact N-O 3.27Å
75I96.6Very high91.7Very high7 Ų771.4 Ų71.44%0.03638%0.376CS..EExtended strand (participates in β ladder)trans-124.8108174.3-54.3-179.3000109.4V38 V49 L51 M64 Q67 E68 I73V38-I75 HydrophobicContact CG1-CD1 4.09Å; V49-I75 HydrophobicContact CB-CG1 4.48Å; V49-I75 CarbonylContact O-C 3.57Å; V49-I75 WeakPolarHBondContact O-CA 3.33Å; L51-I75 HydrophobicContact CD1-CG2 3.86Å; L51-I75 HydrophobicContact CG-CG2 4.03Å; M64-I75 HydrophobicContact CB-CG2 4.1Å; M64-I75 HydrophobicContact CG-CG2 4.39Å; M64-I75 HydrophobicContact SD-CD1 4.44Å; M64-I75 HydrophobicContact SD-CG2 4.42Å; Q67-I75 HydrophobicContact CB-CD1 4.29Å; E68-I75 HydrophobicContact CB-CB 4.43Å; E68-I75 HydrophobicContact CB-CD1 4.28Å; E68-I75 HydrophobicContact CB-CG1 4.2Å; E68-I75 HydrophobicContact CG-CB 4.47Å; E68-I75 HydrophobicContact CG-CG1 4.33Å; E68-I75 PolarHBondContact OE2-N 2.7Å; I73-I75 HydrophobicContact CD1-CD1 4.27Å; I73-I75 HydrophobicContact CD1-CG1 4.05Å; I73-I75 HydrophobicContact CG1-CD1 4.49Å; I73-I75 HydrophobicContact CG1-CG1 4.15Å
76S93.7Very high91.7Very high23 Ų2368 Ų6816%0.16136%0.364CS..EExtended strand (participates in β ladder)trans-105.9148.317658.80000111.2H48 V49 I50 L51H48-S76 PolarHBondContact NE2-OG 2.69Å; V49-S76 PolarHBondContact O-N 3.43Å; I50-S76 CarbonylContact C-O 3.51Å; I50-S76 VanDerWaalsContact CA-O 3.31Å; I50-S76 WeakPolarHBondContact CA-O 3.37Å; L51-S76 PolarHBondContact N-O 3.02Å
77M91.9Very high91.7Very high47 Ų4765.7 Ų65.723%0.23235%0.345CS..EExtended strand (participates in β ladder)trans-103.6131.6171.3-52.488.5-174.500110.2L51 V53 M56 E61 M64L51-M77 HydrophobicContact CB-CG 4.47Å; L51-M77 CarbonylContact O-C 3.56Å; L51-M77 WeakPolarHBondContact O-CA 3.45Å; V53-M77 HydrophobicContact CG2-CB 4.17Å; M56-M77 HydrophobicContact CE-CB 3.25Å; M56-M77 HydrophobicContact CE-CG 3.87Å; M56-M77 HydrophobicContact SD-CB 3.84Å; M56-M77 HydrophobicContact SD-CG 3.78Å; E61-M77 HydrophobicContact CB-CE 4.46Å; E61-M77 HydrophobicContact CG-CE 4.1Å; E61-M77 HydrophobicContact CG-SD 4.25Å; M64-M77 HydrophobicContact CB-CE 3.46Å; M64-M77 VanDerWaalsContact CB-CE 3.46Å; M64-M77 HydrophobicContact CG-CE 4.05Å
78S92.1Very high91.7Very high16 Ų1664.8 Ų64.811%0.11234%0.341CS..EExtended strand (participates in β ladder)trans-103.5104.7172.5-173.90000107.6L51 V53 L92L51-S78 PolarHBondContact O-N 3.22Å; V53-S78 PolarHBondContact N-O 3.45Å; S78-L92 WeakPolarHBondContact OG-CD2 3.24Å
79H89Confident91.6Very high91 Ų9161.9 Ų61.942%0.42133%0.328SS..EExtended strand (participates in β ladder)trans-81.3123.6-177.5-175.9-108.7000110.9V53 M56 L92V53-H79 WeakPolarHBondContact O-CA 3.48Å; M56-H79 HydrophobicContact CE-CB 4.5Å; H79-L92 WeakPolarHBondContact O-CD2 3.43Å
80E85.2Confident91.8Very high16 Ų1654 Ų548%0.07529%0.291CS..  trans-99.1112.9176.6175.7177.7-123.800109V53 E82 L84V53-E80 PolarHBondContact O-N 3.08Å; E80-E82 WeakPolarHBondContact CG-O 3.31Å; E80-L84 HydrophobicContact CG-CD1 4.33Å; E80-L84 HydrophobicContact CG-CG 4.1Å; E80-L84 VanDerWaalsContact OE1-CA 3.25Å; E80-L84 WeakPolarHBondContact OE1-CA 3.32Å; E80-L84 WeakPolarHBondContact OE1-CB 3.47Å; E80-L84 VanDerWaalsContact OE1-CG 3.31Å; E80-L84 WeakPolarHBondContact OE1-CG 3.26Å; E80-L84 PolarHBondContact OE1-N 3.29Å
81E82.9Confident91.8Very high180 Ų18048.2 Ų48.284%0.84127%0.27SS*.SBendtrans-72.4-35.2-177.8-64.3-175.6175.400112.7
82E84.3Confident91.7Very high138 Ų13849.5 Ų49.565%0.64528%0.277SS*.SBendtrans-129.9147178.8-62.8-172.516600109.8E80 L84E80-E82 WeakPolarHBondContact CG-O 3.31Å; E82-L84 WeakPolarHBondContact O-CG 3.37Å; E82-L84 PolarHBondContact O-N 3.44Å
83P84.8Confident91.7Very high113 Ų11346.3 Ų46.373%0.73424%0.244SC*.  trans-61.7106.9-179.4-20.632.2000112.8
84L87.4Confident91.6Very high22 Ų2249.8 Ų49.812%0.11526%0.256CS..  trans-97.311.1-179.9-49.4172.2000113.1E80 E82 G88 L188 P190 T191E80-L84 HydrophobicContact CG-CD1 4.33Å; E80-L84 HydrophobicContact CG-CG 4.1Å; E80-L84 VanDerWaalsContact OE1-CA 3.25Å; E80-L84 WeakPolarHBondContact OE1-CA 3.32Å; E80-L84 WeakPolarHBondContact OE1-CB 3.47Å; E80-L84 VanDerWaalsContact OE1-CG 3.31Å; E80-L84 WeakPolarHBondContact OE1-CG 3.26Å; E80-L84 PolarHBondContact OE1-N 3.29Å; E82-L84 WeakPolarHBondContact O-CG 3.37Å; E82-L84 PolarHBondContact O-N 3.44Å; L84-G88 WeakPolarHBondContact O-CA 3.21Å; L84-G88 PolarHBondContact O-N 3.14Å; L84-L188 HydrophobicContact CD1-CD1 3.86Å; L84-P190 HydrophobicContact CD2-CG 4.25Å; L84-P190 CarbonylContact O-C 3.58Å; L84-P190 WeakPolarHBondContact O-CA 3.27Å; L84-T191 PolarHBondContact O-N 2.81Å
85G89Confident91.5Very high43 Ų4349.3 Ų49.344%0.44326%0.264SS..THydrogen-bonded Turntrans76.3-155.4-179.200000113.1P89 T191G85-P89 WeakPolarHBondContact O-CD 3.5Å; G85-T191 CarbonylContact C-O 3.51Å
86T91.6Very high91.4Very high37 Ų3751.4 Ų51.423%0.22728%0.275CS..THydrogen-bonded Turntrans-91.4-23.1-175.351.50000113.1L6 L90 T191 S192 I193 E194L6-T86 HydrophobicContact CD1-CG2 4.32Å; T86-L90 VanDerWaalsContact O-CD1 3.27Å; T86-L90 WeakPolarHBondContact O-CD1 3.38Å; T86-T191 PolarHBondContact N-O 2.91Å; T86-T191 VanDerWaalsContact N-O 3.11Å; T86-S192 WeakPolarHBondContact OG1-CA 3.43Å; T86-I193 PolarHBondContact OG1-N 2.83Å; T86-E194 PolarHBondContact OG1-OE2 3.14Å
87A94.1Very high91.5Very high0 Ų050.3 Ų50.30%027%0.267CS..THydrogen-bonded Turntrans-91.9-31.1176.400000112.5L90 A91 I186 T191 I193A87-L90 VanDerWaalsContact O-CB 3.31Å; A87-L90 WeakPolarHBondContact O-CB 3.29Å; A87-L90 PolarHBondContact O-N 2.93Å; A87-A91 PolarHBondContact O-N 3.47Å; A87-I186 HydrophobicContact CB-CD1 4.34Å; A87-I186 HydrophobicContact CB-CG2 3.75Å; A87-I186 WeakPolarHBondContact O-CG2 3.37Å; A87-T191 HydrophobicContact CB-CG2 3.74Å; A87-T191 WeakPolarHBondContact CB-O 3.42Å; A87-T191 PolarHBondContact N-O 2.75Å; A87-I193 HydrophobicContact CB-CB 3.91Å
88G92.9Very high91.7Very high0 Ų050.7 Ų50.70%027%0.274CS..Hα-helixtrans-53.3-43.1-178.500000114.7L84 L90 A91 L92L84-G88 WeakPolarHBondContact O-CA 3.21Å; L84-G88 PolarHBondContact O-N 3.14Å; G88-L90 PolarHBondContact O-N 3.44Å; G88-A91 WeakPolarHBondContact O-CA 3.27Å; G88-A91 WeakPolarHBondContact O-CB 3.37Å; G88-A91 PolarHBondContact O-N 3.02Å; G88-L92 PolarHBondContact O-N 2.79Å
89P93.8Very high91.7Very high4 Ų455.5 Ų55.53%0.02630%0.295CS..Hα-helixtrans-59.7-29.1174.3-29.137.2000115L4 L6 A52 G85 L92 A93L4-P89 HydrophobicContact CD2-CB 4.4Å; L6-P89 HydrophobicContact CD2-CB 3.87Å; L6-P89 HydrophobicContact CD2-CG 3.84Å; A52-P89 HydrophobicContact CB-CB 3.51Å; A52-P89 HydrophobicContact CB-CG 4.09Å; G85-P89 WeakPolarHBondContact O-CD 3.5Å; P89-L92 PolarHBondContact O-N 3Å; P89-A93 WeakPolarHBondContact O-CB 3.31Å; P89-A93 PolarHBondContact O-N 3.12Å
90L96.2Very high91.9Very high0 Ų054 Ų540%029%0.293CS..Hα-helixtrans-71.4-37.4174.8-69.762.9000110.6L4 L6 T86 A87 G88 A93 R94 L97 V106 L178 L183 I186 I193L4-L90 HydrophobicContact CD2-CD1 4.11Å; L6-L90 HydrophobicContact CD2-CD1 4.46Å; T86-L90 VanDerWaalsContact O-CD1 3.27Å; T86-L90 WeakPolarHBondContact O-CD1 3.38Å; A87-L90 VanDerWaalsContact O-CB 3.31Å; A87-L90 WeakPolarHBondContact O-CB 3.29Å; A87-L90 PolarHBondContact O-N 2.93Å; G88-L90 PolarHBondContact O-N 3.44Å; L90-A93 CarbonylContact O-C 3.58Å; L90-R94 WeakPolarHBondContact O-CA 3.34Å; L90-R94 PolarHBondContact O-N 3.46Å; L90-R94 VanDerWaalsContact O-N 3.12Å; L90-L97 HydrophobicContact CB-CD1 4.43Å; L90-V106 HydrophobicContact CD1-CG1 4.16Å; L90-V106 HydrophobicContact CD2-CG2 4.1Å; L90-V106 HydrophobicContact CG-CG2 4.27Å; L90-L178 HydrophobicContact CD2-CD1 3.98Å; L90-L183 HydrophobicContact CB-CD2 4.04Å; L90-I186 HydrophobicContact CB-CD1 3.99Å; L90-I186 HydrophobicContact CD2-CD1 3.8Å; L90-I193 HydrophobicContact CD2-CD1 3.9Å
91A95.4Very high92.3Very high7 Ų758 Ų586%0.05833%0.328CS..Hα-helixtrans-67.7-39.2174.100000111.7A87 G88 R94 I186 L188A87-A91 PolarHBondContact O-N 3.47Å; G88-A91 WeakPolarHBondContact O-CA 3.27Å; G88-A91 WeakPolarHBondContact O-CB 3.37Å; G88-A91 PolarHBondContact O-N 3.02Å; A91-R94 WeakPolarHBondContact O-CB 3.25Å; A91-R94 PolarHBondContact O-N 2.92Å; A91-I186 HydrophobicContact CB-CG2 3.87Å; A91-L188 HydrophobicContact CB-CB 4.21Å; A91-L188 HydrophobicContact CB-CD1 4.02Å
92L94.5Very high92.9Very high70 Ų7052.8 Ų52.837%0.36631%0.306SS..Hα-helixtrans-65.4-40.4177.3-174.263.9000111.8S78 H79 G88 P89 R94 L188S78-L92 WeakPolarHBondContact OG-CD2 3.24Å; H79-L92 WeakPolarHBondContact O-CD2 3.43Å; G88-L92 PolarHBondContact O-N 2.79Å; P89-L92 PolarHBondContact O-N 3Å; L92-R94 VanDerWaalsContact C-N 3.3Å; L92-R94 PolarHBondContact O-N 3.5Å; L92-L188 HydrophobicContact CB-CD1 3.94Å; L92-L188 HydrophobicContact CD1-CD1 4.23Å
93A95.4Very high93.5Very high3 Ų346.8 Ų46.83%0.02528%0.279CS..THydrogen-bonded Turntrans-89.214.7177.200000113.7L4 I50 P89 L90 D95 L96 L97L4-A93 HydrophobicContact CD1-CB 3.74Å; I50-A93 HydrophobicContact CD1-CB 4.42Å; I50-A93 HydrophobicContact CG2-CB 4.25Å; P89-A93 WeakPolarHBondContact O-CB 3.31Å; P89-A93 PolarHBondContact O-N 3.12Å; L90-A93 CarbonylContact O-C 3.58Å; A93-D95 VanDerWaalsContact C-N 3.34Å; A93-D95 PolarHBondContact O-N 3.29Å; A93-L96 PolarHBondContact O-N 3.01Å; A93-L97 HydrophobicContact CB-CD1 4.04Å; A93-L97 HydrophobicContact CB-CG 4.19Å; A93-L97 WeakPolarHBondContact O-CG 3.45Å; A93-L97 PolarHBondContact O-N 2.73Å
94R95.9Very high94.2Very high91 Ų9141.4 Ų41.434%0.34324%0.244SC..Hα-helixtrans-53.6-48.6-171.6178-173.7-63.9147.6-0.8112.6L90 A91 L92 L96 L97 S98 L183 I186L90-R94 WeakPolarHBondContact O-CA 3.34Å; L90-R94 PolarHBondContact O-N 3.46Å; L90-R94 VanDerWaalsContact O-N 3.12Å; A91-R94 WeakPolarHBondContact O-CB 3.25Å; A91-R94 PolarHBondContact O-N 2.92Å; L92-R94 VanDerWaalsContact C-N 3.3Å; L92-R94 PolarHBondContact O-N 3.5Å; R94-L96 VanDerWaalsContact C-N 3.32Å; R94-L96 PolarHBondContact O-N 3.29Å; R94-L97 PolarHBondContact O-N 3.4Å; R94-S98 WeakPolarHBondContact O-CB 3.18Å; R94-S98 PolarHBondContact O-N 2.68Å; R94-S98 PolarHBondContact O-OG 3.29Å; R94-L183 HydrophobicContact CG-CB 4.15Å; R94-L183 HydrophobicContact CG-CD1 4.14Å; R94-I186 PolarHBondContact NH2-O 3.14Å
95D94.3Very high94.7Very high128 Ų12840.4 Ų40.468%0.68424%0.239SC*.Hα-helixtrans-62.3-44.6-175.7-64.5-17.2000110.2A93 S98 E99A93-D95 VanDerWaalsContact C-N 3.34Å; A93-D95 PolarHBondContact O-N 3.29Å; D95-S98 PolarHBondContact O-N 3.13Å; D95-E99 WeakPolarHBondContact O-CG 3.2Å; D95-E99 PolarHBondContact O-N 2.94Å
96L95.1Very high95.1Very high50 Ų5038.4 Ų38.426%0.26222%0.218SC..Hα-helixtrans-61.8-47.7174.9-63175.7000111.4K2 I50 A93 R94 S98 E99K2-L96 WeakPolarHBondContact CD-O 3.42Å; K2-L96 WeakPolarHBondContact CE-O 3.35Å; K2-L96 PolarHBondContact NZ-O 3.13Å; I50-L96 HydrophobicContact CD1-CB 3.78Å; I50-L96 HydrophobicContact CD1-CD1 4.09Å; I50-L96 HydrophobicContact CG1-CD1 4.46Å; A93-L96 PolarHBondContact O-N 3.01Å; R94-L96 VanDerWaalsContact C-N 3.32Å; R94-L96 PolarHBondContact O-N 3.29Å; L96-S98 PolarHBondContact O-N 2.78Å; L96-E99 WeakPolarHBondContact CD2-OE1 3.46Å
97L96.3Very high95.4Very high1 Ų136.6 Ų36.61%0.00521%0.207CC..Hα-helixtrans-70.1-19.7-176.1-68.5173.5000113.7K2 L4 I50 L90 A93 R94 F104 L183K2-L97 HydrophobicContact CB-CD2 4.4Å; L4-L97 HydrophobicContact CB-CD2 4.37Å; L4-L97 HydrophobicContact CD1-CD1 3.96Å; I50-L97 HydrophobicContact CD1-CD2 3.74Å; I50-L97 HydrophobicContact CD1-CG 4.14Å; L90-L97 HydrophobicContact CB-CD1 4.43Å; A93-L97 HydrophobicContact CB-CD1 4.04Å; A93-L97 HydrophobicContact CB-CG 4.19Å; A93-L97 WeakPolarHBondContact O-CG 3.45Å; A93-L97 PolarHBondContact O-N 2.73Å; R94-L97 PolarHBondContact O-N 3.4Å; L97-F104 HydrophobicContact CB-CD1 4.3Å; L97-F104 HydrophobicContact CB-CE1 4.26Å; L97-F104 HydrophobicContact CB-CZ 4.43Å; L97-F104 HydrophobicContact CD1-CD2 4.2Å; L97-F104 HydrophobicContact CD1-CE2 3.81Å; L97-F104 HydrophobicContact CD1-CZ 4.11Å; L97-F104 HydrophobicContact CD2-CB 4.12Å; L97-F104 HydrophobicContact CD2-CD1 4.41Å; L97-F104 HydrophobicContact CD2-CD2 3.67Å; L97-F104 HydrophobicContact CD2-CE2 4.15Å; L97-F104 HydrophobicContact CD2-CG 3.81Å; L97-F104 HydrophobicContact CG-CD2 4.41Å; L97-F104 HydrophobicContact CG-CE2 4.43Å; L97-L183 HydrophobicContact CB-CD1 3.85Å; L97-L183 HydrophobicContact CD1-CD2 4.19Å
98S94.7Very high95.5Very high54 Ų5438.5 Ų38.538%0.37822%0.217SC..Hα-helixtrans-107.76.3-178.260.90000114.8R94 D95 L96 T100R94-S98 WeakPolarHBondContact O-CB 3.18Å; R94-S98 PolarHBondContact O-N 2.68Å; R94-S98 PolarHBondContact O-OG 3.29Å; D95-S98 PolarHBondContact O-N 3.13Å; L96-S98 PolarHBondContact O-N 2.78Å; S98-T100 PolarHBondContact O-N 3.49Å; S98-T100 VanDerWaalsContact O-N 3.12Å
99E93.3Very high95.4Very high118 Ų11839 Ų3955%0.55122%0.22SC*.SBendtrans-55.9-28.6174.4-71.9179.9-164.500113K2 D95 L96K2-E99 IonicContact NZ-OE1 3.53Å; K2-E99 IonicContact NZ-OE2 2.65Å; K2-E99 PolarHBondContact NZ-OE2 3.38Å; D95-E99 WeakPolarHBondContact O-CG 3.2Å; D95-E99 PolarHBondContact O-N 2.94Å; L96-E99 WeakPolarHBondContact CD2-OE1 3.46Å
100T92.4Very high95.3Very high60 Ų6040 Ų4037%0.36823%0.226SC..SBendtrans-126.2157.9178.262.30000110.7S98 D102 P180S98-T100 PolarHBondContact O-N 3.49Å; S98-T100 VanDerWaalsContact O-N 3.12Å; T100-D102 PolarHBondContact O-N 2.73Å; T100-P180 WeakPolarHBondContact O-CG 3.44Å
101A93.1Very high95.2Very high99 Ų9940.2 Ų40.282%0.81823%0.227SC*.SBendtrans-75.4-7.2171.200000113.7
102D96Very high95.2Very high70 Ų7039.9 Ų39.937%0.37422%0.224SC..SBendtrans-62.4145.7177.7-77.8-28.3000111.8T100 P180T100-D102 PolarHBondContact O-N 2.73Å; D102-P180 WeakPolarHBondContact O-CD 3.38Å; D102-P180 WeakPolarHBondContact O-CG 3.37Å
103P97.6Very high95.3Very high12 Ų1236.7 Ų36.78%0.07821%0.208CC..  trans-66.2159170.131.1-35.7000110.8M1 I177 L178M1-P103 HydrophobicContact CE-CG 4.05Å; M1-P103 WeakPolarHBondContact CG-O 3.42Å; P103-I177 HydrophobicContact CB-CD1 4.16Å; P103-I177 HydrophobicContact CB-CG1 3.91Å; P103-I177 HydrophobicContact CG-CD1 4.16Å; P103-I177 HydrophobicContact CG-CG1 4.46Å; P103-L178 CarbonylContact C-O 3.57Å; P103-L178 VanDerWaalsContact CA-O 3.22Å; P103-L178 WeakPolarHBondContact CA-O 3.48Å; P103-L178 WeakPolarHBondContact CB-O 3.26Å
104F98.6Very high95.2Very high1 Ų138.8 Ų38.80%0.00422%0.219CC..EExtended strand (participates in β ladder)trans-129.7152.5178.861.6-89.3000111.3K2 L97 V106 I177 L178 V182 L183K2-F104 HydrophobicContact CB-CB 4.16Å; K2-F104 CarbonylContact O-C 3.59Å; K2-F104 WeakPolarHBondContact O-CA 3.38Å; K2-F104 WeakPolarHBondContact O-CB 3.41Å; L97-F104 HydrophobicContact CB-CD1 4.3Å; L97-F104 HydrophobicContact CB-CE1 4.26Å; L97-F104 HydrophobicContact CB-CZ 4.43Å; L97-F104 HydrophobicContact CD1-CD2 4.2Å; L97-F104 HydrophobicContact CD1-CE2 3.81Å; L97-F104 HydrophobicContact CD1-CZ 4.11Å; L97-F104 HydrophobicContact CD2-CB 4.12Å; L97-F104 HydrophobicContact CD2-CD1 4.41Å; L97-F104 HydrophobicContact CD2-CD2 3.67Å; L97-F104 HydrophobicContact CD2-CE2 4.15Å; L97-F104 HydrophobicContact CD2-CG 3.81Å; L97-F104 HydrophobicContact CG-CD2 4.41Å; L97-F104 HydrophobicContact CG-CE2 4.43Å; F104-V106 HydrophobicContact CD2-CG2 3.71Å; F104-V106 HydrophobicContact CE2-CG2 3.45Å; F104-V106 VanDerWaalsContact CE2-CG2 3.45Å; F104-I177 WeakPolarHBondContact O-CA 3.49Å; F104-L178 WeakPolarHBondContact CD1-O 3.16Å; F104-L178 HydrophobicContact CE1-CB 4.3Å; F104-L178 HydrophobicContact CE2-CB 4.13Å; F104-L178 HydrophobicContact CE2-CD1 4.29Å; F104-L178 HydrophobicContact CZ-CB 3.92Å; F104-L178 HydrophobicContact CZ-CD1 4.43Å; F104-L178 PolarHBondContact N-O 2.83Å; F104-L178 PolarHBondContact O-N 3.42Å; F104-V182 HydrophobicContact CZ-CG1 4.04Å; F104-L183 HydrophobicContact CE1-CD1 4.24Å; F104-L183 HydrophobicContact CE1-CG 4.33Å; F104-L183 HydrophobicContact CZ-CD1 4.46Å; F104-L183 HydrophobicContact CZ-CD2 3.94Å; F104-L183 HydrophobicContact CZ-CG 4.21Å
105F98.7Very high95.2Very high0 Ų035.6 Ų35.60%021%0.207CC..EExtended strand (participates in β ladder)trans-83.5149.2175.1-68.3-81.8000112.1M1 K2 A3 L4 L41 V46 L107 F117 M120 V121 Y176 I177M1-F105 HydrophobicContact SD-CD2 4.05Å; M1-F105 HydrophobicContact SD-CE2 3.53Å; M1-F105 VanDerWaalsContact SD-CE2 3.53Å; M1-F105 HydrophobicContact SD-CZ 4.4Å; K2-F105 PolarHBondContact O-N 2.79Å; A3-F105 CarbonylContact C-O 3.57Å; A3-F105 WeakPolarHBondContact CA-O 3.49Å; A3-F105 HydrophobicContact CB-CB 3.84Å; L4-F105 PolarHBondContact N-O 3.08Å; L41-F105 HydrophobicContact CD2-CB 3.99Å; L41-F105 HydrophobicContact CD2-CD1 4.47Å; L41-F105 HydrophobicContact CD2-CD2 3.71Å; L41-F105 HydrophobicContact CD2-CE2 4.24Å; L41-F105 HydrophobicContact CD2-CG 3.82Å; V46-F105 HydrophobicContact CG2-CD2 3.71Å; V46-F105 HydrophobicContact CG2-CE2 3.84Å; F105-L107 HydrophobicContact CB-CD1 3.63Å; F105-F117 HydrophobicContact CD1-CD1 4.13Å; F105-F117 HydrophobicContact CE1-CB 4.02Å; F105-F117 AromaticContact CE1-CD1 3.76Å; F105-F117 HydrophobicContact CE1-CD1 3.76Å; F105-F117 HydrophobicContact CE1-CG 4.15Å; F105-F117 HydrophobicContact CE2-CB 4.46Å; F105-F117 HydrophobicContact CZ-CB 3.69Å; F105-F117 HydrophobicContact CZ-CD1 4.26Å; F105-F117 HydrophobicContact CZ-CG 4.18Å; F105-M120 HydrophobicContact CE1-CB 4.1Å; F105-M120 HydrophobicContact CE1-CE 4.44Å; F105-M120 HydrophobicContact CE1-SD 4.37Å; F105-V121 HydrophobicContact CE2-CG2 4.08Å; F105-V121 HydrophobicContact CZ-CG2 3.6Å; F105-Y176 CarbonylContact C-O 3.52Å; F105-Y176 VanDerWaalsContact CA-O 3.3Å; F105-Y176 WeakPolarHBondContact CA-O 3.33Å; F105-I177 HydrophobicContact CD1-CB 4.06Å; F105-I177 HydrophobicContact CD1-CG1 4.47Å; F105-I177 HydrophobicContact CE1-CB 4.15Å; F105-I177 HydrophobicContact CE1-CD1 4.1Å; F105-I177 HydrophobicContact CE1-CG1 4.46Å; F105-I177 HydrophobicContact CZ-CD1 4.17Å
106V98.3Very high95.3Very high1 Ų131.2 Ų31.21%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-131.4128.5166.8-179.70000109.1L4 L6 L90 F104 M175 Y176 L178L4-V106 HydrophobicContact CB-CG2 4.47Å; L4-V106 HydrophobicContact CD2-CG1 4.31Å; L4-V106 CarbonylContact O-C 3.58Å; L4-V106 VanDerWaalsContact O-CA 3.22Å; L4-V106 WeakPolarHBondContact O-CA 3.42Å; L6-V106 HydrophobicContact CD1-CG1 4.37Å; L6-V106 HydrophobicContact CG-CG1 4.44Å; L90-V106 HydrophobicContact CD1-CG1 4.16Å; L90-V106 HydrophobicContact CD2-CG2 4.1Å; L90-V106 HydrophobicContact CG-CG2 4.27Å; F104-V106 HydrophobicContact CD2-CG2 3.71Å; F104-V106 HydrophobicContact CE2-CG2 3.45Å; F104-V106 VanDerWaalsContact CE2-CG2 3.45Å; V106-M175 WeakPolarHBondContact O-CA 3.11Å; V106-Y176 HydrophobicContact CB-CD2 3.79Å; V106-Y176 HydrophobicContact CG1-CD2 3.81Å; V106-Y176 HydrophobicContact CG1-CE2 4.32Å; V106-Y176 PolarHBondContact N-O 2.9Å; V106-Y176 WeakPolarHBondContact O-CD2 3.37Å; V106-Y176 PolarHBondContact O-N 2.85Å; V106-L178 HydrophobicContact CG2-CD1 3.93Å
107L97.4Very high95.4Very high0 Ų028.9 Ų28.90%017%0.174CC..EExtended strand (participates in β ladder)trans-133.6143.7-173.1-61.282.1000112.3L4 I5 L6 Q37 L41 F105 F117 G174 M175L4-L107 PolarHBondContact O-N 2.67Å; I5-L107 HydrophobicContact CG1-CB 4.42Å; I5-L107 HydrophobicContact CG1-CD1 4.39Å; I5-L107 HydrophobicContact CG2-CB 4.47Å; L6-L107 WeakPolarHBondContact CB-O 3.49Å; L6-L107 PolarHBondContact N-O 3.41Å; Q37-L107 HydrophobicContact CB-CD2 4.2Å; Q37-L107 HydrophobicContact CG-CD2 4.4Å; L41-L107 HydrophobicContact CD1-CD1 4.06Å; L41-L107 HydrophobicContact CD1-CD2 4.23Å; L41-L107 HydrophobicContact CD2-CD1 4.12Å; F105-L107 HydrophobicContact CB-CD1 3.63Å; L107-F117 HydrophobicContact CD2-CE1 3.92Å; L107-F117 HydrophobicContact CD2-CE2 4.42Å; L107-F117 HydrophobicContact CD2-CZ 3.47Å; L107-F117 VanDerWaalsContact CD2-CZ 3.47Å; L107-G174 CarbonylContact C-O 3.5Å; L107-G174 WeakPolarHBondContact CA-O 3.36Å; L107-M175 HydrophobicContact CB-CG 4.47Å; L107-M175 HydrophobicContact CD2-CG 4.24Å; L107-M175 HydrophobicContact CG-CG 4.09Å
108N94.7Very high95.5Very high39 Ų3934.8 Ų34.821%0.20920%0.201CC..EExtended strand (participates in β ladder)trans-77.6130.8161.7-68.1-4.1000109.7Q37 D110 V111 G174Q37-N108 PolarHBondContact NE2-O 2.82Å; Q37-N108 PolarHBondContact OE1-O 3Å; N108-D110 PolarHBondContact O-N 2.66Å; N108-D110 VanDerWaalsContact O-N 3.14Å; N108-V111 HydrophobicContact CB-CG2 4.22Å; N108-G174 PolarHBondContact N-O 2.56Å
109S92.4Very high95.6Very high10 Ų1034.3 Ų34.37%0.0720%0.2CC..THydrogen-bonded Turntrans-70.8-6-174.856.40000115.5L6 I33 Q37L6-S109 WeakPolarHBondContact O-CB 3.33Å; L6-S109 PolarHBondContact O-N 2.87Å; L6-S109 PolarHBondContact O-OG 3.08Å; I33-S109 WeakPolarHBondContact CG2-O 3.5Å; Q37-S109 PolarHBondContact NE2-O 3.21Å
110D90.8Very high95.8Very high27 Ų2728.8 Ų28.814%0.14417%0.174CC..THydrogen-bonded Turntrans-114.316-172.961.6-11.6000115.2K23 N108 I219K23-D110 HydrophobicContact CD-CB 4.42Å; K23-D110 VanDerWaalsContact NZ-CG 3.31Å; K23-D110 IonicContact NZ-OD2 2.68Å; K23-D110 PolarHBondContact NZ-OD2 3.48Å; N108-D110 PolarHBondContact O-N 2.66Å; N108-D110 VanDerWaalsContact O-N 3.14Å; D110-I219 WeakPolarHBondContact O-CG1 3.34Å; D110-I219 PolarHBondContact O-N 3.09Å
111V94.5Very high96.1Very high3 Ų326.6 Ų26.62%0.01816%0.161CC..EExtended strand (participates in β ladder)trans-100.2135.6175.3175.60000110.3Q37 N108 M175 W216 M217Q37-V111 PolarHBondContact NE2-O 2.92Å; Q37-V111 VanDerWaalsContact NE2-O 3.16Å; N108-V111 HydrophobicContact CB-CG2 4.22Å; V111-M175 HydrophobicContact CG1-CE 3.88Å; V111-W216 HydrophobicContact CG2-CZ2 4.4Å; V111-M217 WeakPolarHBondContact CA-O 3.42Å
112I96.3Very high96.3Very high0 Ų028.5 Ų28.50%015%0.153CC..EExtended strand (participates in β ladder)trans-119.9131.7167.9-61-65.5000109.5F28 I33 H36 F115 F215 M217 I219 F232F28-I112 HydrophobicContact CD1-CD1 4.24Å; F28-I112 HydrophobicContact CD1-CG1 4.09Å; F28-I112 HydrophobicContact CD1-CG2 4.49Å; F28-I112 HydrophobicContact CE1-CB 4.35Å; F28-I112 HydrophobicContact CE1-CG1 4.01Å; F28-I112 HydrophobicContact CE1-CG2 3.78Å; F28-I112 HydrophobicContact CZ-CG1 4.31Å; F28-I112 HydrophobicContact CZ-CG2 4.23Å; I33-I112 HydrophobicContact CG2-CD1 4.46Å; H36-I112 HydrophobicContact CB-CD1 4.1Å; I112-F115 HydrophobicContact CD1-CZ 4.34Å; I112-F215 HydrophobicContact CG2-CE2 3.83Å; I112-F215 HydrophobicContact CG2-CZ 3.88Å; I112-M217 PolarHBondContact N-O 3.28Å; I112-M217 PolarHBondContact O-N 3.03Å; I112-I219 HydrophobicContact CD1-CD1 4.25Å; I112-I219 HydrophobicContact CG1-CD1 3.49Å; I112-I219 VanDerWaalsContact CG1-CD1 3.49Å; I112-I219 HydrophobicContact CG1-CG1 4.06Å; I112-I219 HydrophobicContact CG1-CG2 4.47Å; I112-F232 HydrophobicContact CG2-CD2 4.06Å
113C96.3Very high96.4Very high4 Ų427.4 Ų27.43%0.02715%0.145CC..EExtended strand (participates in β ladder)trans-159-165.4175.367.30000109.5F115 M175 L212 F215C113-F115 VanDerWaalsContact C-N 3.3Å; C113-F115 WeakPolarHBondContact O-CD2 3.47Å; C113-F115 VanDerWaalsContact O-CE2 3.23Å; C113-F115 WeakPolarHBondContact O-CE2 3.49Å; C113-F115 WeakPolarHBondContact SG-CD1 3.22Å; C113-F115 PolarHBondContact SG-N 2.85Å; C113-M175 WeakPolarHBondContact SG-CE 3.35Å; C113-L212 HydrophobicContact CB-CD2 3.84Å; C113-F215 WeakPolarHBondContact CA-O 3.3Å; C113-F215 WeakPolarHBondContact CB-O 3.2Å
114D92.4Very high96.4Very high47 Ų4727 Ų2725%0.25114%0.142SC..  trans-81.5-1.6175.8-70-48.6000115F215 S235 K239D114-F215 WeakPolarHBondContact OD1-CE1 3.27Å; D114-S235 PolarHBondContact OD1-OG 3.42Å; D114-K239 IonicContact OD1-NZ 2.72Å; D114-K239 PolarHBondContact OD1-NZ 3Å; D114-K239 IonicContact OD2-NZ 2.67Å; D114-K239 PolarHBondContact OD2-NZ 3.07Å
115F96.3Very high96.4Very high24 Ų2434.2 Ų34.211%0.10517%0.169CC..  trans47.168.6175.1-56.1-64.6000114.9H36 Q37 A40 I112 C113 F117 M175H36-F115 HydrophobicContact CB-CE2 3.98Å; H36-F115 HydrophobicContact CB-CZ 4.4Å; Q37-F115 HydrophobicContact CG-CE1 3.73Å; Q37-F115 HydrophobicContact CG-CZ 3.76Å; A40-F115 HydrophobicContact CB-CB 3.65Å; A40-F115 HydrophobicContact CB-CD2 4.02Å; A40-F115 HydrophobicContact CB-CG 3.97Å; I112-F115 HydrophobicContact CD1-CZ 4.34Å; C113-F115 VanDerWaalsContact C-N 3.3Å; C113-F115 WeakPolarHBondContact O-CD2 3.47Å; C113-F115 VanDerWaalsContact O-CE2 3.23Å; C113-F115 WeakPolarHBondContact O-CE2 3.49Å; C113-F115 WeakPolarHBondContact SG-CD1 3.22Å; C113-F115 PolarHBondContact SG-N 2.85Å; F115-F117 HydrophobicContact CB-CD2 4.09Å; F115-F117 HydrophobicContact CB-CE1 4.35Å; F115-F117 HydrophobicContact CB-CE2 3.66Å; F115-F117 HydrophobicContact CB-CZ 3.77Å; F115-F117 HydrophobicContact CD1-CE1 4.25Å; F115-F117 HydrophobicContact CD1-CE2 4.1Å; F115-F117 AromaticContact CD1-CZ 3.52Å; F115-F117 HydrophobicContact CD1-CZ 3.52Å; F115-F117 HydrophobicContact CE1-CZ 4.49Å; F115-F117 HydrophobicContact CG-CE2 4.11Å; F115-F117 AromaticContact CG-CZ 3.97Å; F115-F117 HydrophobicContact CG-CZ 3.97Å; F115-F117 PolarHBondContact O-N 2.89Å; F115-M175 HydrophobicContact CD1-SD 3.87Å; F115-M175 HydrophobicContact CE1-SD 4.17Å
116P96.8Very high96.3Very high35 Ų3542.4 Ų42.423%0.22721%0.207CC..  trans-78.247.6-174.836.4-39.4000113Q118 A119 M120 L134 M210 L212P116-Q118 PolarHBondContact O-N 2.8Å; P116-A119 HydrophobicContact CB-CB 4.36Å; P116-A119 WeakPolarHBondContact O-CB 3.39Å; P116-A119 PolarHBondContact O-N 3.34Å; P116-A119 VanDerWaalsContact O-N 3.08Å; P116-M120 PolarHBondContact O-N 2.88Å; P116-L134 HydrophobicContact CG-CD1 4.15Å; P116-L134 HydrophobicContact CG-CD2 4.45Å; P116-M210 HydrophobicContact CB-CE 4.35Å; P116-M210 HydrophobicContact CG-CE 3.94Å; P116-L212 HydrophobicContact CG-CD1 3.76Å
117F97.8Very high96.2Very high2 Ų243.6 Ų43.61%0.00921%0.213CC..Hα-helixtrans-61.9-37.6-169-64.7-37.9000113.8A40 L41 A44 F105 L107 F115 A119 M120 V121 M175A40-F117 HydrophobicContact CB-CD2 3.91Å; A40-F117 HydrophobicContact CB-CE2 3.57Å; L41-F117 HydrophobicContact CB-CE2 4.43Å; L41-F117 HydrophobicContact CD2-CD1 4.44Å; L41-F117 HydrophobicContact CD2-CD2 3.76Å; L41-F117 HydrophobicContact CD2-CE1 4.37Å; L41-F117 HydrophobicContact CD2-CE2 3.64Å; L41-F117 HydrophobicContact CD2-CG 4.18Å; L41-F117 HydrophobicContact CD2-CZ 4Å; L41-F117 HydrophobicContact CG-CD2 4.04Å; L41-F117 HydrophobicContact CG-CE2 3.6Å; L41-F117 HydrophobicContact CG-CZ 4.19Å; A44-F117 HydrophobicContact CB-CB 3.55Å; A44-F117 HydrophobicContact CB-CD2 4.46Å; F105-F117 HydrophobicContact CD1-CD1 4.13Å; F105-F117 HydrophobicContact CE1-CB 4.02Å; F105-F117 AromaticContact CE1-CD1 3.76Å; F105-F117 HydrophobicContact CE1-CD1 3.76Å; F105-F117 HydrophobicContact CE1-CG 4.15Å; F105-F117 HydrophobicContact CE2-CB 4.46Å; F105-F117 HydrophobicContact CZ-CB 3.69Å; F105-F117 HydrophobicContact CZ-CD1 4.26Å; F105-F117 HydrophobicContact CZ-CG 4.18Å; L107-F117 HydrophobicContact CD2-CE1 3.92Å; L107-F117 HydrophobicContact CD2-CE2 4.42Å; L107-F117 HydrophobicContact CD2-CZ 3.47Å; L107-F117 VanDerWaalsContact CD2-CZ 3.47Å; F115-F117 HydrophobicContact CB-CD2 4.09Å; F115-F117 HydrophobicContact CB-CE1 4.35Å; F115-F117 HydrophobicContact CB-CE2 3.66Å; F115-F117 HydrophobicContact CB-CZ 3.77Å; F115-F117 HydrophobicContact CD1-CE1 4.25Å; F115-F117 HydrophobicContact CD1-CE2 4.1Å; F115-F117 AromaticContact CD1-CZ 3.52Å; F115-F117 HydrophobicContact CD1-CZ 3.52Å; F115-F117 HydrophobicContact CE1-CZ 4.49Å; F115-F117 HydrophobicContact CG-CE2 4.11Å; F115-F117 AromaticContact CG-CZ 3.97Å; F115-F117 HydrophobicContact CG-CZ 3.97Å; F115-F117 PolarHBondContact O-N 2.89Å; F117-A119 VanDerWaalsContact C-N 3.33Å; F117-A119 PolarHBondContact O-N 2.91Å; F117-M120 HydrophobicContact CD1-SD 3.88Å; F117-M120 HydrophobicContact CE1-SD 4.38Å; F117-M120 WeakPolarHBondContact O-CB 3.38Å; F117-M120 PolarHBondContact O-N 2.75Å; F117-V121 WeakPolarHBondContact O-CG2 3.27Å; F117-V121 PolarHBondContact O-N 3.33Å; F117-M175 HydrophobicContact CE1-SD 3.98Å; F117-M175 HydrophobicContact CZ-SD 4.38Å
118Q96.8Very high96.2Very high124 Ų12446.2 Ų46.258%0.57924%0.239SC*.Hα-helixtrans-61.6-41.9175-68.4-178.3-600111.8A43 A44 P116 V121 Q122A43-Q118 PolarHBondContact O-NE2 2.96Å; A44-Q118 HydrophobicContact CB-CG 4.16Å; P116-Q118 PolarHBondContact O-N 2.8Å; Q118-V121 PolarHBondContact O-N 3.45Å; Q118-Q122 WeakPolarHBondContact O-CG 3.31Å; Q118-Q122 PolarHBondContact O-N 2.87Å; Q118-Q122 VanDerWaalsContact O-N 3.16Å
119A97.4Very high96.3Very high44 Ų4447.2 Ų47.236%0.36424%0.243SC..Hα-helixtrans-66.8-38175.300000111.5P116 F117 V121 Q122 F123 M210P116-A119 HydrophobicContact CB-CB 4.36Å; P116-A119 WeakPolarHBondContact O-CB 3.39Å; P116-A119 PolarHBondContact O-N 3.34Å; P116-A119 VanDerWaalsContact O-N 3.08Å; F117-A119 VanDerWaalsContact C-N 3.33Å; F117-A119 PolarHBondContact O-N 2.91Å; A119-V121 PolarHBondContact O-N 2.62Å; A119-Q122 PolarHBondContact O-N 3.34Å; A119-F123 WeakPolarHBondContact O-CB 3.21Å; A119-F123 PolarHBondContact O-N 3.06Å; A119-M210 HydrophobicContact CB-CE 4.3Å
120M97.9Very high96.5Very high2 Ų248.1 Ų48.11%0.0125%0.246CC..Hα-helixtrans-60.4-42.3174-69.3-179.868.800112.2F105 P116 F117 F123 H124 L134 M175 I177 M210F105-M120 HydrophobicContact CE1-CB 4.1Å; F105-M120 HydrophobicContact CE1-CE 4.44Å; F105-M120 HydrophobicContact CE1-SD 4.37Å; P116-M120 PolarHBondContact O-N 2.88Å; F117-M120 HydrophobicContact CD1-SD 3.88Å; F117-M120 HydrophobicContact CE1-SD 4.38Å; F117-M120 WeakPolarHBondContact O-CB 3.38Å; F117-M120 PolarHBondContact O-N 2.75Å; M120-F123 PolarHBondContact O-N 3.1Å; M120-H124 WeakPolarHBondContact O-CB 3.38Å; M120-H124 PolarHBondContact O-N 2.99Å; M120-L134 HydrophobicContact CE-CB 4.15Å; M120-L134 HydrophobicContact CG-CD1 4.29Å; M120-L134 HydrophobicContact SD-CB 4.4Å; M120-L134 HydrophobicContact SD-CD1 4.2Å; M120-M175 HydrophobicContact CE-CB 4.38Å; M120-I177 HydrophobicContact CB-CG2 4.37Å; M120-I177 HydrophobicContact CE-CG2 4.25Å; M120-M210 HydrophobicContact CB-CE 4.32Å; M120-M210 HydrophobicContact CG-CE 3.35Å; M120-M210 HydrophobicContact CG-SD 4.16Å
121V97.9Very high96.9Very high15 Ų1546.8 Ų46.89%0.09124%0.239CC..Hα-helixtrans-61.7-46.2176.2174.20000111.1M1 F105 F117 Q118 A119 H124 R125 I177M1-V121 HydrophobicContact CE-CG1 4.09Å; M1-V121 HydrophobicContact CE-CG2 3.97Å; M1-V121 HydrophobicContact SD-CG2 3.91Å; F105-V121 HydrophobicContact CE2-CG2 4.08Å; F105-V121 HydrophobicContact CZ-CG2 3.6Å; F117-V121 WeakPolarHBondContact O-CG2 3.27Å; F117-V121 PolarHBondContact O-N 3.33Å; Q118-V121 PolarHBondContact O-N 3.45Å; A119-V121 PolarHBondContact O-N 2.62Å; V121-H124 PolarHBondContact O-N 3.09Å; V121-R125 HydrophobicContact CG1-CG 4.43Å; V121-R125 WeakPolarHBondContact O-CB 3.2Å; V121-R125 WeakPolarHBondContact O-CG 3.42Å; V121-R125 PolarHBondContact O-N 2.82Å; V121-I177 HydrophobicContact CB-CD1 4.35Å; V121-I177 HydrophobicContact CG2-CD1 3.81Å
122Q97.5Very high97.1Very high138 Ų13846.7 Ų46.765%0.64524%0.238SC*.Hα-helixtrans-62-46.8178.9-69.2173.56.200111.2Q118 A119 H124 R125 H126Q118-Q122 WeakPolarHBondContact O-CG 3.31Å; Q118-Q122 PolarHBondContact O-N 2.87Å; Q118-Q122 VanDerWaalsContact O-N 3.16Å; A119-Q122 PolarHBondContact O-N 3.34Å; Q122-H124 PolarHBondContact O-N 3.29Å; Q122-R125 PolarHBondContact O-N 3.3Å; Q122-H126 WeakPolarHBondContact O-CB 3.45Å; Q122-H126 PolarHBondContact O-N 3.34Å
123F98Very high97.2Very high47 Ų4746.7 Ų46.721%0.20624%0.238CC..Hα-helixtrans-59.3-47.2177.1-179.8-97.7000111.9A119 M120 H126 H127 A209 M210A119-F123 WeakPolarHBondContact O-CB 3.21Å; A119-F123 PolarHBondContact O-N 3.06Å; M120-F123 PolarHBondContact O-N 3.1Å; F123-H126 WeakPolarHBondContact O-CB 3.49Å; F123-H126 PolarHBondContact O-N 2.96Å; F123-H127 AromaticContact CD1-CD2 3.98Å; F123-H127 AromaticContact CE1-CD2 3.8Å; F123-H127 PolarHBondContact O-CD2 2.75Å; F123-H127 PolarHBondContact O-N 3.36Å; F123-A209 WeakPolarHBondContact CZ-O 3.4Å; F123-M210 HydrophobicContact CB-SD 3.72Å; F123-M210 HydrophobicContact CD1-CB 3.87Å; F123-M210 HydrophobicContact CD1-CG 4.35Å; F123-M210 HydrophobicContact CD1-SD 4.4Å; F123-M210 HydrophobicContact CD2-CB 4.49Å; F123-M210 HydrophobicContact CD2-CG 4.29Å; F123-M210 HydrophobicContact CD2-SD 4.49Å; F123-M210 HydrophobicContact CE1-CB 3.93Å; F123-M210 HydrophobicContact CG-CB 4.15Å; F123-M210 HydrophobicContact CG-CG 4.13Å; F123-M210 HydrophobicContact CG-SD 3.96Å; F123-M210 HydrophobicContact CZ-CB 4.28Å
124H98.3Very high97.2Very high5 Ų546.5 Ų46.52%0.02324%0.237CC..Hα-helixtrans-61.3-47.4179.5-171.674.4000112.5M120 V121 Q122 H126 H127 G128 Q129 S132 I177 S179M120-H124 WeakPolarHBondContact O-CB 3.38Å; M120-H124 PolarHBondContact O-N 2.99Å; V121-H124 PolarHBondContact O-N 3.09Å; Q122-H124 PolarHBondContact O-N 3.29Å; H124-H126 VanDerWaalsContact C-N 3.26Å; H124-H126 PolarHBondContact O-N 3.33Å; H124-H127 AromaticContact ND1-CE1 3.81Å; H124-H127 AromaticContact ND1-NE2 3.82Å; H124-G128 PolarHBondContact O-N 3.31Å; H124-Q129 PolarHBondContact CE1-O 3.04Å; H124-S132 WeakPolarHBondContact CA-OG 3.17Å; H124-S132 WeakPolarHBondContact CB-OG 3.37Å; H124-S132 PolarHBondContact ND1-OG 2.98Å; H124-I177 HydrophobicContact CB-CD1 4.02Å; H124-I177 HydrophobicContact CB-CG1 4.29Å; H124-I177 HydrophobicContact CB-CG2 3.65Å; H124-I177 PolarHBondContact CE1-O 2.78Å; H124-I177 PolarHBondContact ND1-O 3.46Å; H124-S179 PolarHBondContact NE2-OG 3.42Å
125R97.1Very high97.4Very high152 Ų15244.3 Ų44.357%0.57423%0.225SC*.Hα-helixtrans-65.2-31178.4-73179173.7176.2-2.7112.4V121 Q122V121-R125 HydrophobicContact CG1-CG 4.43Å; V121-R125 WeakPolarHBondContact O-CB 3.2Å; V121-R125 WeakPolarHBondContact O-CG 3.42Å; V121-R125 PolarHBondContact O-N 2.82Å; Q122-R125 PolarHBondContact O-N 3.3Å
126H97.2Very high97.4Very high171 Ų17143.9 Ų43.979%0.79223%0.225SC*.Hα-helixtrans-66.1-46.1179.9-176.974.5000112.6Q122 F123 H124Q122-H126 WeakPolarHBondContact O-CB 3.45Å; Q122-H126 PolarHBondContact O-N 3.34Å; F123-H126 WeakPolarHBondContact O-CB 3.49Å; F123-H126 PolarHBondContact O-N 2.96Å; H124-H126 VanDerWaalsContact C-N 3.26Å; H124-H126 PolarHBondContact O-N 3.33Å
127H96.8Very high97.3Very high27 Ų2747.2 Ų47.213%0.12524%0.236CC..Hα-helixtrans-85.3-22.9179.970.771.5000113.4F123 H124 Q129 S132 Y208F123-H127 AromaticContact CD1-CD2 3.98Å; F123-H127 AromaticContact CE1-CD2 3.8Å; F123-H127 PolarHBondContact O-CD2 2.75Å; F123-H127 PolarHBondContact O-N 3.36Å; H124-H127 AromaticContact ND1-CE1 3.81Å; H124-H127 AromaticContact ND1-NE2 3.82Å; H127-Q129 VanDerWaalsContact C-N 3.28Å; H127-Q129 WeakPolarHBondContact ND1-CB 3.4Å; H127-Q129 PolarHBondContact ND1-N 3.1Å; H127-Q129 PolarHBondContact O-N 2.99Å; H127-Q129 PolarHBondContact O-NE2 3.3Å; H127-S132 PolarHBondContact NE2-OG 3.49Å; H127-Y208 HydrophobicContact CB-CD1 4.1Å; H127-Y208 HydrophobicContact CB-CE1 4.05Å; H127-Y208 HydrophobicContact CB-CG 4.36Å; H127-Y208 AromaticContact CD2-CG 3.8Å; H127-Y208 AromaticContact CE1-CD2 3.83Å; H127-Y208 AromaticContact CG-CD2 3.95Å; H127-Y208 AromaticContact CG-CG 3.83Å; H127-Y208 AromaticContact ND1-CD2 3.65Å; H127-Y208 AromaticContact ND1-CG 3.99Å; H127-Y208 AromaticContact NE2-CG 3.95Å
128G96.3Very high96.9Very high54 Ų5448.6 Ų48.656%0.55724%0.244SC*.  trans64.12517100000115.5H124H124-G128 PolarHBondContact O-N 3.31Å
129Q97.5Very high96.4Very high61 Ų6152.2 Ų52.229%0.28526%0.261SS..SBendtrans-105.3173179.2-55.5-53.6-47.800110.9H124 H127 G131 Y208H124-Q129 PolarHBondContact CE1-O 3.04Å; H127-Q129 VanDerWaalsContact C-N 3.28Å; H127-Q129 WeakPolarHBondContact ND1-CB 3.4Å; H127-Q129 PolarHBondContact ND1-N 3.1Å; H127-Q129 PolarHBondContact O-N 2.99Å; H127-Q129 PolarHBondContact O-NE2 3.3Å; Q129-G131 VanDerWaalsContact C-N 3.32Å; Q129-G131 PolarHBondContact O-N 3.36Å; Q129-Y208 HydrophobicContact CB-CD2 4.13Å; Q129-Y208 HydrophobicContact CB-CE2 3.84Å; Q129-Y208 HydrophobicContact CG-CD2 4.2Å; Q129-Y208 HydrophobicContact CG-CE2 3.46Å; Q129-Y208 VanDerWaalsContact CG-CE2 3.46Å
130E97.8Very high95.9Very high28 Ų2855.5 Ų55.513%0.13127%0.269CS..SBendtrans-62.8-28-168.8-71.1178.6-149.700116L178 S179 A181 R185 M201 Q206E130-L178 WeakPolarHBondContact O-CA 3.49Å; E130-S179 PolarHBondContact O-N 3.28Å; E130-A181 HydrophobicContact CG-CB 4.07Å; E130-R185 IonicContact OE1-CZ 2.99Å; E130-R185 IonicContact OE1-NE 3.91Å; E130-R185 IonicContact OE1-NH2 2.66Å; E130-R185 PolarHBondContact OE1-NH2 2.88Å; E130-R185 IonicContact OE2-CZ 2.8Å; E130-R185 IonicContact OE2-NE 3.1Å; E130-R185 PolarHBondContact OE2-NE 3.21Å; E130-R185 IonicContact OE2-NH2 2.97Å; E130-R185 PolarHBondContact OE2-NH2 3.34Å; E130-M201 HydrophobicContact CB-CE 3.63Å; E130-Q206 HydrophobicContact CB-CB 4.21Å; E130-Q206 HydrophobicContact CG-CB 4.48Å; E130-Q206 HydrophobicContact CG-CG 4.46Å; E130-Q206 PolarHBondContact N-O 3.17Å; E130-Q206 VanDerWaalsContact N-OE1 3.11Å
131G98.1Very high95.4Very high0 Ų055.8 Ų55.80%027%0.271CS..EExtended strand (participates in β ladder)trans-151.5143.2-177.300000115.7Q129 Q206 L207 Y208Q129-G131 VanDerWaalsContact C-N 3.32Å; Q129-G131 PolarHBondContact O-N 3.36Å; G131-Q206 PolarHBondContact N-O 2.93Å; G131-L207 WeakPolarHBondContact O-CA 3.47Å; G131-Y208 PolarHBondContact O-N 2.83Å
132S98.5Very high94.9Very high1 Ų157.6 Ų57.61%0.00728%0.284CS..EExtended strand (participates in β ladder)trans-119.4134.1163.9-32.10000109.8H124 H127 Y176 I177 Y208H124-S132 WeakPolarHBondContact CA-OG 3.17Å; H124-S132 WeakPolarHBondContact CB-OG 3.37Å; H124-S132 PolarHBondContact ND1-OG 2.98Å; H127-S132 PolarHBondContact NE2-OG 3.49Å; S132-Y176 WeakPolarHBondContact O-CA 3.37Å; S132-I177 PolarHBondContact N-O 3.44Å; S132-I177 PolarHBondContact O-N 2.78Å; S132-Y208 CarbonylContact C-O 3.49Å; S132-Y208 VanDerWaalsContact CA-O 3.26Å; S132-Y208 WeakPolarHBondContact CA-O 3.42Å
133I97.7Very high94.3Very high0 Ų057.6 Ų57.60%028%0.282CS..EExtended strand (participates in β ladder)trans-110.813917467.9176.1000109.4V135 V147 I156 F159 Y176 F198 L207 Y208 A209 M210I133-V135 HydrophobicContact CD1-CG1 4.09Å; I133-V135 HydrophobicContact CG1-CG1 4.02Å; I133-V147 HydrophobicContact CD1-CG1 4.26Å; I133-V147 HydrophobicContact CD1-CG2 3.62Å; I133-I156 HydrophobicContact CD1-CD1 3.34Å; I133-I156 HydrophobicContact CG1-CD1 3.58Å; I133-F159 HydrophobicContact CD1-CD2 3.99Å; I133-F159 HydrophobicContact CD1-CE2 3.97Å; I133-Y176 HydrophobicContact CB-CD1 3.91Å; I133-Y176 HydrophobicContact CB-CE1 4.4Å; I133-Y176 HydrophobicContact CG2-CD1 3.6Å; I133-Y176 HydrophobicContact CG2-CE1 4.15Å; I133-F198 HydrophobicContact CG2-CE1 4.27Å; I133-F198 HydrophobicContact CG2-CE2 4.16Å; I133-F198 HydrophobicContact CG2-CZ 3.95Å; I133-L207 HydrophobicContact CD1-CD2 4.37Å; I133-L207 HydrophobicContact CG2-CD1 3.99Å; I133-L207 HydrophobicContact CG2-CD2 4.29Å; I133-L207 HydrophobicContact CG2-CG 4.24Å; I133-Y208 PolarHBondContact N-O 2.83Å; I133-A209 HydrophobicContact CG1-CB 4.36Å; I133-A209 WeakPolarHBondContact O-CA 3.48Å; I133-M210 PolarHBondContact O-N 2.96Å
134L97.8Very high93.9Very high0 Ų057.9 Ų57.90%028%0.282CS..EExtended strand (participates in β ladder)trans-79.8134.9169.4-164.476.3000109.1P116 M120 A173 M175 M210 L212P116-L134 HydrophobicContact CG-CD1 4.15Å; P116-L134 HydrophobicContact CG-CD2 4.45Å; M120-L134 HydrophobicContact CE-CB 4.15Å; M120-L134 HydrophobicContact CG-CD1 4.29Å; M120-L134 HydrophobicContact SD-CB 4.4Å; M120-L134 HydrophobicContact SD-CD1 4.2Å; L134-A173 HydrophobicContact CB-CB 4.16Å; L134-A173 HydrophobicContact CD2-CB 4.17Å; L134-A173 HydrophobicContact CG-CB 4.21Å; L134-A173 VanDerWaalsContact O-CB 3.26Å; L134-A173 WeakPolarHBondContact O-CB 3.28Å; L134-A173 PolarHBondContact O-N 3.44Å; L134-M175 HydrophobicContact CB-CB 4.18Å; L134-M175 WeakPolarHBondContact CB-O 3.46Å; L134-M175 HydrophobicContact CD2-CB 4.4Å; L134-M175 HydrophobicContact CD2-CE 3.27Å; L134-M175 HydrophobicContact CD2-SD 4.14Å; L134-M175 PolarHBondContact N-O 3.38Å; L134-M210 CarbonylContact C-O 3.56Å; L134-M210 WeakPolarHBondContact CA-O 3.33Å; L134-M210 HydrophobicContact CD1-CB 4.34Å; L134-M210 HydrophobicContact CD1-CE 3.45Å; L134-M210 VanDerWaalsContact CD1-CE 3.45Å; L134-L212 HydrophobicContact CD1-CB 4.04Å; L134-L212 HydrophobicContact CD2-CB 3.92Å; L134-L212 HydrophobicContact CD2-CD1 4.1Å; L134-L212 HydrophobicContact CD2-CD2 3.99Å; L134-L212 HydrophobicContact CD2-CG 4.22Å; L134-L212 HydrophobicContact CG-CB 3.9Å
135V97.1Very high93.6Very high1 Ų157.8 Ų57.81%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-124.4152.2177.6-58.60000111.7I133 V147 I171 A209 M210 E211 L212I133-V135 HydrophobicContact CD1-CG1 4.09Å; I133-V135 HydrophobicContact CG1-CG1 4.02Å; V135-V147 HydrophobicContact CG1-CB 4.14Å; V135-V147 HydrophobicContact CG1-CG1 4.33Å; V135-V147 HydrophobicContact CG1-CG2 3.83Å; V135-I171 CarbonylContact C-O 3.59Å; V135-I171 WeakPolarHBondContact CA-O 3.5Å; V135-I171 VanDerWaalsContact CB-O 3.28Å; V135-I171 WeakPolarHBondContact CB-O 3.36Å; V135-A209 HydrophobicContact CG1-CB 3.9Å; V135-A209 HydrophobicContact CG2-CB 4.07Å; V135-M210 PolarHBondContact N-O 3.32Å; V135-E211 HydrophobicContact CG2-CB 4.34Å; V135-L212 WeakPolarHBondContact O-CB 3.45Å; V135-L212 PolarHBondContact O-N 2.82Å
136T96.1Very high93.4Very high15 Ų1550.6 Ų50.69%0.09226%0.256CS..EExtended strand (participates in β ladder)trans-134.5161.1172.6-171.30000110.7V138 K170 I171 A173 W216T136-V138 HydrophobicContact CG2-CG1 4.34Å; T136-K170 CarbonylContact O-C 3.58Å; T136-K170 WeakPolarHBondContact O-CA 3.48Å; T136-I171 HydrophobicContact CG2-CD1 3.95Å; T136-I171 HydrophobicContact CG2-CG1 3.67Å; T136-I171 PolarHBondContact N-O 3.03Å; T136-I171 WeakPolarHBondContact O-CG1 3.25Å; T136-I171 PolarHBondContact O-N 3.48Å; T136-A173 HydrophobicContact CG2-CB 4.44Å; T136-W216 HydrophobicContact CG2-CB 4.1Å; T136-W216 HydrophobicContact CG2-CD2 3.67Å; T136-W216 HydrophobicContact CG2-CE3 3.82Å; T136-W216 HydrophobicContact CG2-CG 3.8Å; T136-W216 HydrophobicContact CG2-CZ3 4.48Å
137K93.9Very high93.3Very high104 Ų10442.4 Ų42.445%0.45222%0.218SC..EExtended strand (participates in β ladder)trans-96.1131.4177.3-71.8169.7179.6149.60110.3N169 K170 E211K137-N169 VanDerWaalsContact CA-O 3.31Å; K137-N169 WeakPolarHBondContact CA-O 3.44Å; K137-K170 HydrophobicContact CG-CG 4.05Å; K137-E211 VanDerWaalsContact CE-OE1 3.25Å; K137-E211 WeakPolarHBondContact CE-OE1 3.36Å; K137-E211 IonicContact NZ-OE1 3.17Å; K137-E211 PolarHBondContact NZ-OE1 2.9Å; K137-E211 IonicContact NZ-OE2 2.95Å; K137-E211 PolarHBondContact NZ-OE2 3.33Å
138V90.3Very high93.2Very high31 Ų3143.4 Ų43.419%0.18823%0.226CC..  trans-131.2153.8175.2-61.70000110.9T136 P141 N169 I171 W216T136-V138 HydrophobicContact CG2-CG1 4.34Å; V138-P141 HydrophobicContact CG2-CB 4.13Å; V138-N169 PolarHBondContact N-O 2.77Å; V138-N169 WeakPolarHBondContact O-CB 3.46Å; V138-I171 HydrophobicContact CB-CD1 4.42Å; V138-I171 HydrophobicContact CG1-CD1 3.59Å; V138-I171 HydrophobicContact CG1-CG1 3.95Å; V138-I171 HydrophobicContact CG2-CB 4.38Å; V138-I171 HydrophobicContact CG2-CD1 3.93Å; V138-I171 HydrophobicContact CG2-CG1 3.94Å; V138-I171 HydrophobicContact CG2-CG2 3.55Å; V138-W216 HydrophobicContact CG1-CZ3 4.45Å
139E86.2Confident93.1Very high200 Ų20042 Ų4294%0.93521%0.207SC*.SBendtrans-69.3-39.3176-65.7-179.5174.100111.9P141E139-P141 WeakPolarHBondContact O-CD 3.44Å
140E86.6Confident92.9Very high113 Ų11341.3 Ų41.353%0.52820%0.204SC..  trans-117.592.9-176.4-178.251.2-108.600111.4S142E140-S142 WeakPolarHBondContact OE1-CB 3.33Å; E140-S142 PolarHBondContact OE1-N 3.2Å; E140-S142 PolarHBondContact OE1-OG 3.42Å
141P87.7Confident92.4Very high8 Ų844.9 Ų44.95%0.05224%0.238CC..  trans-86.3-8.9-172.933.6-36.2000114.6V138 E139 K143 Y144 V146 F166 I171V138-P141 HydrophobicContact CG2-CB 4.13Å; E139-P141 WeakPolarHBondContact O-CD 3.44Å; P141-K143 PolarHBondContact O-N 2.89Å; P141-Y144 PolarHBondContact O-N 2.81Å; P141-V146 HydrophobicContact CB-CG2 3.83Å; P141-F166 HydrophobicContact CG-CD2 4.07Å; P141-F166 HydrophobicContact CG-CE2 4.15Å; P141-I171 HydrophobicContact CB-CG2 3.7Å
142S86.4Confident92Very high53 Ų5351.5 Ų51.537%0.37127%0.274SS..THydrogen-bonded Turntrans-57.7-22.7-170.556.60000115.3E140E140-S142 WeakPolarHBondContact OE1-CB 3.33Å; E140-S142 PolarHBondContact OE1-N 3.2Å; E140-S142 PolarHBondContact OE1-OG 3.42Å
143K85.2Confident91.7Very high138 Ų13854.1 Ų54.160%0.629%0.29SS*.THydrogen-bonded Turntrans-86.2-6.6-179.1-63.4178.3-175.8172.40114.1P141 K162P141-K143 PolarHBondContact O-N 2.89Å; K143-K162 VanDerWaalsContact O-CE 3.26Å; K143-K162 WeakPolarHBondContact O-CE 3.48Å
144Y89.8Confident91.6Very high53 Ų5354.6 Ų54.621%0.20829%0.294CS..SBendtrans-126.9168.2-168.3-56.3-77000112.6P141 K162 I171 W216P141-Y144 PolarHBondContact O-N 2.81Å; Y144-K162 WeakPolarHBondContact O-CA 3.13Å; Y144-K162 PolarHBondContact O-N 3.44Å; Y144-I171 HydrophobicContact CD1-CD1 3.97Å; Y144-I171 HydrophobicContact CD2-CD1 3.62Å; Y144-I171 HydrophobicContact CD2-CG2 4.27Å; Y144-I171 HydrophobicContact CE1-CD1 4.39Å; Y144-I171 HydrophobicContact CE2-CD1 4.06Å; Y144-I171 HydrophobicContact CG-CB 4.33Å; Y144-I171 HydrophobicContact CG-CD1 3.57Å; Y144-I171 HydrophobicContact CG-CG2 4.32Å; Y144-W216 HydrophobicContact CD1-CH2 4.32Å; Y144-W216 AromaticContact CE1-CH2 3.72Å; Y144-W216 HydrophobicContact CE1-CH2 3.72Å; Y144-W216 AromaticContact CZ-CH2 3.96Å
145G90.7Very high91.6Very high4 Ų458 Ų584%0.04131%0.307CS..EExtended strand (participates in β ladder)trans-71.8123.9167.200000110.8E161 I171 N172G145-E161 WeakPolarHBondContact CA-OE2 3.44Å; G145-E161 PolarHBondContact N-OE2 3.32Å; G145-I171 CarbonylContact O-C 3.51Å; G145-I171 WeakPolarHBondContact O-CA 3.13Å; G145-N172 PolarHBondContact O-N 2.89Å
146V93.9Very high91.6Very high0 Ų058 Ų580%031%0.307CS..EExtended strand (participates in β ladder)trans-101.9138.5-176.1176.70000110.7P141 V160 P163 V167 S168 I171P141-V146 HydrophobicContact CB-CG2 3.83Å; V146-V160 PolarHBondContact N-O 2.69Å; V146-V160 PolarHBondContact O-N 2.97Å; V146-P163 HydrophobicContact CB-CG 4.06Å; V146-P163 HydrophobicContact CG2-CG 3.56Å; V146-V167 HydrophobicContact CG1-CB 3.92Å; V146-V167 HydrophobicContact CG1-CG1 4.18Å; V146-S168 VanDerWaalsContact CG1-O 3.27Å; V146-S168 WeakPolarHBondContact CG1-O 3.19Å; V146-I171 HydrophobicContact CG2-CG2 4.3Å
147V94.3Very high91.5Very high0 Ų061.5 Ų61.50%032%0.322CS..EExtended strand (participates in β ladder)trans-118.8131.6-172.7-175.10000110.4I133 V135 C149 I156 F159 S168 K170 A209I133-V147 HydrophobicContact CD1-CG1 4.26Å; I133-V147 HydrophobicContact CD1-CG2 3.62Å; V135-V147 HydrophobicContact CG1-CB 4.14Å; V135-V147 HydrophobicContact CG1-CG1 4.33Å; V135-V147 HydrophobicContact CG1-CG2 3.83Å; V147-C149 HydrophobicContact CG1-CB 4.36Å; V147-I156 HydrophobicContact CG1-CB 4.4Å; V147-I156 HydrophobicContact CG1-CD1 3.8Å; V147-I156 HydrophobicContact CG1-CG1 3.64Å; V147-I156 HydrophobicContact CG1-CG2 3.91Å; V147-F159 HydrophobicContact CG2-CD2 3.88Å; V147-F159 HydrophobicContact CG2-CE2 4Å; V147-S168 WeakPolarHBondContact O-CB 3.36Å; V147-S168 PolarHBondContact O-OG 3.37Å; V147-K170 PolarHBondContact N-O 3.46Å; V147-A209 HydrophobicContact CG1-CB 4.11Å
148V94.5Very high91.5Very high48 Ų4863.8 Ų63.829%0.29133%0.328SS..EExtended strand (participates in β ladder)trans-113.5116.3168-174.70000107.8H157 R158 V167V148-H157 PolarHBondContact O-N 3.22Å; V148-R158 HydrophobicContact CB-CB 4.17Å; V148-R158 HydrophobicContact CG2-CB 4.4Å; V148-R158 PolarHBondContact N-O 3.26Å; V148-R158 PolarHBondContact O-N 2.98Å; V148-V167 HydrophobicContact CG2-CG1 3.5Å; V148-V167 VanDerWaalsContact CG2-CG1 3.5Å
149C94.6Very high91.7Very high24 Ų2462.8 Ų62.816%0.16232%0.321CS..EExtended strand (participates in β ladder)trans-134.2155.4-175.551.90000112.1V147 R155 I156 A209V147-C149 HydrophobicContact CG1-CB 4.36Å; C149-R155 CarbonylContact C-O 3.55Å; C149-R155 WeakPolarHBondContact CA-O 3.46Å; C149-R155 WeakPolarHBondContact CB-O 3.46Å; C149-I156 HydrophobicContact CB-CG1 4.07Å; C149-A209 HydrophobicContact CB-CB 4.07Å
150E93.6Very high91.9Very high46 Ų4654.6 Ų54.622%0.21529%0.285CS..  trans-61.6139168.5-66177.4178.200110.1T153 G154 R155 H157E150-T153 WeakPolarHBondContact CB-OG1 3.23Å; E150-T153 PolarHBondContact OE2-OG1 2.88Å; E150-G154 VanDerWaalsContact O-CA 3.25Å; E150-G154 WeakPolarHBondContact O-CA 3.47Å; E150-G154 PolarHBondContact O-N 3.3Å; E150-G154 VanDerWaalsContact O-N 3.08Å; E150-R155 HydrophobicContact CB-CB 4.47Å; E150-R155 HydrophobicContact CG-CB 4.33Å; E150-R155 PolarHBondContact N-O 3.22Å; E150-R155 IonicContact OE1-CZ 3.15Å; E150-R155 IonicContact OE1-NE 3.76Å; E150-R155 PolarHBondContact OE1-NE 2.95Å; E150-R155 IonicContact OE1-NH2 2.68Å; E150-R155 PolarHBondContact OE1-NH2 3.2Å; E150-R155 WeakPolarHBondContact OE2-CB 3.15Å; E150-R155 IonicContact OE2-NE 2.84Å; E150-R155 PolarHBondContact OE2-NE 3.32Å; E150-H157 WeakPolarHBondContact CG-NE2 3.37Å; E150-H157 IonicContact OE1-CE1 2.7Å; E150-H157 PolarHBondContact OE1-CE1 3.41Å; E150-H157 IonicContact OE1-NE2 3.27Å
151A88.1Confident92.2Very high104 Ų10451.4 Ų51.486%0.8627%0.27SS*.THydrogen-bonded Turntrans-75.3-28.6-172.600000113.6
152D89.6Confident92.2Very high138 Ų13856.3 Ų56.374%0.73829%0.291SS*.THydrogen-bonded Turntrans-89.8-48.6-175.856.9-24.8000112.3
153T92.6Very high92.2Very high57 Ų5754.4 Ų54.435%0.3528%0.277SS..THydrogen-bonded Turntrans-92.1-24.3-176.569.70000112.9E150 R155 Y208E150-T153 WeakPolarHBondContact CB-OG1 3.23Å; E150-T153 PolarHBondContact OE2-OG1 2.88Å; T153-R155 PolarHBondContact O-N 2.93Å; T153-R155 VanDerWaalsContact OG1-CB 3.26Å; T153-R155 WeakPolarHBondContact OG1-CB 3.36Å; T153-R155 PolarHBondContact OG1-N 3.11Å; T153-Y208 WeakPolarHBondContact O-CD1 3.44Å
154G94.8Very high92.2Very high9 Ų956.8 Ų56.89%0.09329%0.29CS..  trans75.23.8-16800000114E150 I156 Y208 A209E150-G154 VanDerWaalsContact O-CA 3.25Å; E150-G154 WeakPolarHBondContact O-CA 3.47Å; E150-G154 PolarHBondContact O-N 3.3Å; E150-G154 VanDerWaalsContact O-N 3.08Å; G154-I156 PolarHBondContact O-N 3.05Å; G154-Y208 CarbonylContact O-C 3.57Å; G154-Y208 WeakPolarHBondContact O-CA 3.31Å; G154-A209 PolarHBondContact O-N 2.9Å
155R97.6Very high92.1Very high73 Ų7359.5 Ų59.528%0.27531%0.312SS..BIsolated β-bridgetrans-59.5130.8179.6-169.4178.472.398.8-9110.9C149 E150 T153 H157 Y208C149-R155 CarbonylContact C-O 3.55Å; C149-R155 WeakPolarHBondContact CA-O 3.46Å; C149-R155 WeakPolarHBondContact CB-O 3.46Å; E150-R155 HydrophobicContact CB-CB 4.47Å; E150-R155 HydrophobicContact CG-CB 4.33Å; E150-R155 PolarHBondContact N-O 3.22Å; E150-R155 IonicContact OE1-CZ 3.15Å; E150-R155 IonicContact OE1-NE 3.76Å; E150-R155 PolarHBondContact OE1-NE 2.95Å; E150-R155 IonicContact OE1-NH2 2.68Å; E150-R155 PolarHBondContact OE1-NH2 3.2Å; E150-R155 WeakPolarHBondContact OE2-CB 3.15Å; E150-R155 IonicContact OE2-NE 2.84Å; E150-R155 PolarHBondContact OE2-NE 3.32Å; T153-R155 PolarHBondContact O-N 2.93Å; T153-R155 VanDerWaalsContact OG1-CB 3.26Å; T153-R155 WeakPolarHBondContact OG1-CB 3.36Å; T153-R155 PolarHBondContact OG1-N 3.11Å; R155-H157 PolarHBondContact NH2-CE1 3.25Å; R155-H157 PolarHBondContact NH2-ND1 3.09Å; R155-Y208 HydrophobicContact CB-CD1 3.98Å; R155-Y208 HydrophobicContact CB-CE1 3.55Å; R155-Y208 HydrophobicContact CG-CE1 3.93Å; R155-Y208 HydrophobicContact CG-CE2 4.1Å
156I97.4Very high92Very high0 Ų066.5 Ų66.50%034%0.342CS..EExtended strand (participates in β ladder)trans-88.4121.5-175.6-63166.3000109.8I133 V147 C149 G154 A202 L207 Y208 A209I133-I156 HydrophobicContact CD1-CD1 3.34Å; I133-I156 HydrophobicContact CG1-CD1 3.58Å; V147-I156 HydrophobicContact CG1-CB 4.4Å; V147-I156 HydrophobicContact CG1-CD1 3.8Å; V147-I156 HydrophobicContact CG1-CG1 3.64Å; V147-I156 HydrophobicContact CG1-CG2 3.91Å; C149-I156 HydrophobicContact CB-CG1 4.07Å; G154-I156 PolarHBondContact O-N 3.05Å; I156-A202 HydrophobicContact CB-CB 4.39Å; I156-A202 HydrophobicContact CG2-CB 3.83Å; I156-L207 HydrophobicContact CB-CB 4.47Å; I156-L207 WeakPolarHBondContact CB-O 3.36Å; I156-L207 HydrophobicContact CD1-CB 4.21Å; I156-L207 HydrophobicContact CD1-CD2 3.73Å; I156-L207 HydrophobicContact CD1-CG 3.73Å; I156-L207 PolarHBondContact N-O 3.01Å; I156-Y208 VanDerWaalsContact CD1-C 3.48Å; I156-A209 HydrophobicContact CD1-CB 3.9Å; I156-A209 HydrophobicContact CG1-CB 3.84Å
157H94.1Very high91.6Very high89 Ų8968.6 Ų68.641%0.41235%0.354SS..EExtended strand (participates in β ladder)trans-82.6-37.3171.6-63-57.2000112.2V148 E150 R155V148-H157 PolarHBondContact O-N 3.22Å; E150-H157 WeakPolarHBondContact CG-NE2 3.37Å; E150-H157 IonicContact OE1-CE1 2.7Å; E150-H157 PolarHBondContact OE1-CE1 3.41Å; E150-H157 IonicContact OE1-NE2 3.27Å; R155-H157 PolarHBondContact NH2-CE1 3.25Å; R155-H157 PolarHBondContact NH2-ND1 3.09Å
158R93.4Very high91.4Very high152 Ų15269.5 Ų69.557%0.57436%0.361SS*.EExtended strand (participates in β ladder)trans-148.9130.6-172.9-163.7178.6175.3174.1-2.9110.7V148 V160V148-R158 HydrophobicContact CB-CB 4.17Å; V148-R158 HydrophobicContact CG2-CB 4.4Å; V148-R158 PolarHBondContact N-O 3.26Å; V148-R158 PolarHBondContact O-N 2.98Å; R158-V160 HydrophobicContact CG-CG2 3.74Å; R158-V160 VanDerWaalsContact NE-CG2 3.33Å
159F94.8Very high91.2Very high9 Ų970.5 Ų70.54%0.03936%0.364CS..EExtended strand (participates in β ladder)trans-113.9129167.7-171.2-77000108I133 V147 E161 N172 E194 F198 P199I133-F159 HydrophobicContact CD1-CD2 3.99Å; I133-F159 HydrophobicContact CD1-CE2 3.97Å; V147-F159 HydrophobicContact CG2-CD2 3.88Å; V147-F159 HydrophobicContact CG2-CE2 4Å; F159-E161 HydrophobicContact CE1-CB 4.44Å; F159-N172 HydrophobicContact CE2-CB 4.09Å; F159-N172 HydrophobicContact CZ-CB 4.17Å; F159-E194 VanDerWaalsContact CD1-O 3.28Å; F159-E194 WeakPolarHBondContact CD1-O 3.26Å; F159-E194 HydrophobicContact CE1-CB 3.78Å; F159-E194 HydrophobicContact CE1-CG 4.5Å; F159-E194 WeakPolarHBondContact CE1-O 3.28Å; F159-E194 HydrophobicContact CZ-CB 4Å; F159-E194 HydrophobicContact CZ-CG 4.22Å; F159-F198 HydrophobicContact CB-CB 4.43Å; F159-F198 HydrophobicContact CD1-CB 4.2Å; F159-F198 HydrophobicContact CD2-CB 4.16Å; F159-F198 HydrophobicContact CD2-CD2 4.31Å; F159-F198 HydrophobicContact CE1-CD2 4.46Å; F159-F198 AromaticContact CE2-CD2 3.88Å; F159-F198 HydrophobicContact CE2-CD2 3.88Å; F159-F198 HydrophobicContact CG-CB 4Å; F159-F198 AromaticContact CZ-CD2 3.97Å; F159-F198 HydrophobicContact CZ-CD2 3.97Å; F159-P199 HydrophobicContact CD1-CG 4.27Å
160V91.2Very high91.2Very high29 Ų2971.3 Ų71.318%0.17637%0.365CS..EExtended strand (participates in β ladder)trans-132.3112.1-179.7-169.90000109.9V146 R158 K162 P163V146-V160 PolarHBondContact N-O 2.69Å; V146-V160 PolarHBondContact O-N 2.97Å; R158-V160 HydrophobicContact CG-CG2 3.74Å; R158-V160 VanDerWaalsContact NE-CG2 3.33Å; V160-K162 PolarHBondContact O-N 2.88Å; V160-P163 HydrophobicContact CG1-CB 3.84Å
161E91.6Very high91.3Very high46 Ų4669.1 Ų69.122%0.21536%0.355CS..EExtended strand (participates in β ladder)trans-74.2122.4176.5-176.661-165.700111.3G145 F159 E194 K195G145-E161 WeakPolarHBondContact CA-OE2 3.44Å; G145-E161 PolarHBondContact N-OE2 3.32Å; F159-E161 HydrophobicContact CE1-CB 4.44Å; E161-E194 HydrophobicContact CG-CB 4.43Å; E161-K195 HydrophobicContact CB-CG 3.91Å; E161-K195 HydrophobicContact CG-CD 4.5Å; E161-K195 HydrophobicContact CG-CG 3.83Å
162K88.4Confident91.7Very high111 Ų11164.8 Ų64.848%0.48332%0.317SS..SBendtrans4863.3173.6-64.7174.8-176174.70113.4K143 Y144 V160K143-K162 VanDerWaalsContact O-CE 3.26Å; K143-K162 WeakPolarHBondContact O-CE 3.48Å; Y144-K162 WeakPolarHBondContact O-CA 3.13Å; Y144-K162 PolarHBondContact O-N 3.44Å; V160-K162 PolarHBondContact O-N 2.88Å
163P85.8Confident92Very high13 Ų1358.2 Ų58.28%0.08428%0.282CS..  trans-68.2141.7-174.631.8-36.4000111.2V146 V160 V165 V167V146-P163 HydrophobicContact CB-CG 4.06Å; V146-P163 HydrophobicContact CG2-CG 3.56Å; V160-P163 HydrophobicContact CG1-CB 3.84Å; P163-V165 VanDerWaalsContact C-N 3.3Å; P163-V165 WeakPolarHBondContact CB-O 3.31Å; P163-V167 HydrophobicContact CB-CG2 3.95Å; P163-V167 HydrophobicContact CG-CG2 4.38Å
164Q86.4Confident92.1Very high188 Ų18855.6 Ų55.688%0.87927%0.266SS*.SBendtrans-77.7-19.2174.9-62.5-61.9-53.300112.8
165V86.7Confident92.3Very high110 Ų11055.2 Ų55.267%0.66726%0.262SS*.SBendtrans-119.9149.6178.2-64.90000109P163 V167P163-V165 VanDerWaalsContact C-N 3.3Å; P163-V165 WeakPolarHBondContact CB-O 3.31Å; V165-V167 HydrophobicContact CG2-CG2 4.47Å; V165-V167 PolarHBondContact O-N 3.13Å
166F87.8Confident92.3Very high151 Ų15151.8 Ų51.866%0.66225%0.249SC*.  trans-61.9127.7175.5-178.9-92.6000110.5P141 N169P141-F166 HydrophobicContact CG-CD2 4.07Å; P141-F166 HydrophobicContact CG-CE2 4.15Å; F166-N169 HydrophobicContact CE2-CB 4.42Å; F166-N169 HydrophobicContact CZ-CB 4.43Å
167V85.8Confident92.3Very high43 Ų4351.8 Ų51.826%0.26125%0.249SC..  trans-117.1-48.8178.6177.70000110.8V146 V148 P163 V165V146-V167 HydrophobicContact CG1-CB 3.92Å; V146-V167 HydrophobicContact CG1-CG1 4.18Å; V148-V167 HydrophobicContact CG2-CG1 3.5Å; V148-V167 VanDerWaalsContact CG2-CG1 3.5Å; P163-V167 HydrophobicContact CB-CG2 3.95Å; P163-V167 HydrophobicContact CG-CG2 4.38Å; V165-V167 HydrophobicContact CG2-CG2 4.47Å; V165-V167 PolarHBondContact O-N 3.13Å
168S90.6Very high92.5Very high20 Ų2047.6 Ų47.614%0.1423%0.23CC..  trans-164.8157-178.4162.20000107.9V146 V147 K170V146-S168 VanDerWaalsContact CG1-O 3.27Å; V146-S168 WeakPolarHBondContact CG1-O 3.19Å; V147-S168 WeakPolarHBondContact O-CB 3.36Å; V147-S168 PolarHBondContact O-OG 3.37Å; S168-K170 PolarHBondContact OG-N 2.83Å; S168-K170 VanDerWaalsContact OG-N 3.09Å
169N91.1Very high92.7Very high68 Ų6841.7 Ų41.736%0.36421%0.212SC..SBendtrans-90.4-3.617467.8-15.3000113.2K137 V138 F166K137-N169 VanDerWaalsContact CA-O 3.31Å; K137-N169 WeakPolarHBondContact CA-O 3.44Å; V138-N169 PolarHBondContact N-O 2.77Å; V138-N169 WeakPolarHBondContact O-CB 3.46Å; F166-N169 HydrophobicContact CE2-CB 4.42Å; F166-N169 HydrophobicContact CZ-CB 4.43Å
170K94.9Very high92.9Very high41 Ų4142.5 Ų42.518%0.17822%0.218CC..EExtended strand (participates in β ladder)trans-82.3114.7173.7-65.7-178.2179.2-1770109.8T136 K137 V147 S168 E211T136-K170 CarbonylContact O-C 3.58Å; T136-K170 WeakPolarHBondContact O-CA 3.48Å; K137-K170 HydrophobicContact CG-CG 4.05Å; V147-K170 PolarHBondContact N-O 3.46Å; S168-K170 PolarHBondContact OG-N 2.83Å; S168-K170 VanDerWaalsContact OG-N 3.09Å; K170-E211 WeakPolarHBondContact CE-OE2 3.48Å; K170-E211 IonicContact NZ-OE2 3.42Å
171I95.5Very high93.1Very high0 Ų042.5 Ų42.50%022%0.221CC..EExtended strand (participates in β ladder)trans-107.7153.4178.562.9155.7000111.5V135 T136 V138 P141 Y144 G145 V146 A173 W216V135-I171 CarbonylContact C-O 3.59Å; V135-I171 WeakPolarHBondContact CA-O 3.5Å; V135-I171 VanDerWaalsContact CB-O 3.28Å; V135-I171 WeakPolarHBondContact CB-O 3.36Å; T136-I171 HydrophobicContact CG2-CD1 3.95Å; T136-I171 HydrophobicContact CG2-CG1 3.67Å; T136-I171 PolarHBondContact N-O 3.03Å; T136-I171 WeakPolarHBondContact O-CG1 3.25Å; T136-I171 PolarHBondContact O-N 3.48Å; V138-I171 HydrophobicContact CB-CD1 4.42Å; V138-I171 HydrophobicContact CG1-CD1 3.59Å; V138-I171 HydrophobicContact CG1-CG1 3.95Å; V138-I171 HydrophobicContact CG2-CB 4.38Å; V138-I171 HydrophobicContact CG2-CD1 3.93Å; V138-I171 HydrophobicContact CG2-CG1 3.94Å; V138-I171 HydrophobicContact CG2-CG2 3.55Å; P141-I171 HydrophobicContact CB-CG2 3.7Å; Y144-I171 HydrophobicContact CD1-CD1 3.97Å; Y144-I171 HydrophobicContact CD2-CD1 3.62Å; Y144-I171 HydrophobicContact CD2-CG2 4.27Å; Y144-I171 HydrophobicContact CE1-CD1 4.39Å; Y144-I171 HydrophobicContact CE2-CD1 4.06Å; Y144-I171 HydrophobicContact CG-CB 4.33Å; Y144-I171 HydrophobicContact CG-CD1 3.57Å; Y144-I171 HydrophobicContact CG-CG2 4.32Å; G145-I171 CarbonylContact O-C 3.51Å; G145-I171 WeakPolarHBondContact O-CA 3.13Å; V146-I171 HydrophobicContact CG2-CG2 4.3Å; I171-A173 PolarHBondContact O-N 2.98Å; I171-W216 HydrophobicContact CD1-CH2 3.8Å; I171-W216 HydrophobicContact CD1-CZ2 4.39Å; I171-W216 HydrophobicContact CD1-CZ3 3.89Å
172N96.2Very high93.4Very high14 Ų1440.3 Ų40.38%0.07521%0.211CC..EExtended strand (participates in β ladder)trans-59121.6166.3176.89.5000110.4G145 F159 G174 Y176G145-N172 PolarHBondContact O-N 2.89Å; F159-N172 HydrophobicContact CE2-CB 4.09Å; F159-N172 HydrophobicContact CZ-CB 4.17Å; N172-G174 VanDerWaalsContact C-N 3.3Å; N172-G174 PolarHBondContact O-N 3.29Å; N172-G174 PolarHBondContact OD1-N 2.88Å; N172-Y176 PolarHBondContact ND2-OH 2.9Å; N172-Y176 WeakPolarHBondContact OD1-CE1 3.44Å
173A95.8Very high93.8Very high0 Ų035.2 Ų35.20%019%0.189CC..EExtended strand (participates in β ladder)trans-85.42.6-179.200000113.7L134 T136 I171 M175 W216L134-A173 HydrophobicContact CB-CB 4.16Å; L134-A173 HydrophobicContact CD2-CB 4.17Å; L134-A173 HydrophobicContact CG-CB 4.21Å; L134-A173 VanDerWaalsContact O-CB 3.26Å; L134-A173 WeakPolarHBondContact O-CB 3.28Å; L134-A173 PolarHBondContact O-N 3.44Å; T136-A173 HydrophobicContact CG2-CB 4.44Å; I171-A173 PolarHBondContact O-N 2.98Å; A173-M175 HydrophobicContact CB-CE 4.28Å; A173-W216 PolarHBondContact O-NE1 3.41Å
174G95.2Very high94.3Very high2 Ų244.4 Ų44.42%0.02122%0.222CC..EExtended strand (participates in β ladder)trans7621.117700000114.3L107 N108 N172L107-G174 CarbonylContact C-O 3.5Å; L107-G174 WeakPolarHBondContact CA-O 3.36Å; N108-G174 PolarHBondContact N-O 2.56Å; N172-G174 VanDerWaalsContact C-N 3.3Å; N172-G174 PolarHBondContact O-N 3.29Å; N172-G174 PolarHBondContact OD1-N 2.88Å
175M97.5Very high94.7Very high1 Ų139.2 Ų39.21%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-134.3132.8176.5-68.6170.3-81.300109.7V106 L107 V111 C113 F115 F117 M120 L134 A173V106-M175 WeakPolarHBondContact O-CA 3.11Å; L107-M175 HydrophobicContact CB-CG 4.47Å; L107-M175 HydrophobicContact CD2-CG 4.24Å; L107-M175 HydrophobicContact CG-CG 4.09Å; V111-M175 HydrophobicContact CG1-CE 3.88Å; C113-M175 WeakPolarHBondContact SG-CE 3.35Å; F115-M175 HydrophobicContact CD1-SD 3.87Å; F115-M175 HydrophobicContact CE1-SD 4.17Å; F117-M175 HydrophobicContact CE1-SD 3.98Å; F117-M175 HydrophobicContact CZ-SD 4.38Å; M120-M175 HydrophobicContact CE-CB 4.38Å; L134-M175 HydrophobicContact CB-CB 4.18Å; L134-M175 WeakPolarHBondContact CB-O 3.46Å; L134-M175 HydrophobicContact CD2-CB 4.4Å; L134-M175 HydrophobicContact CD2-CE 3.27Å; L134-M175 HydrophobicContact CD2-SD 4.14Å; L134-M175 PolarHBondContact N-O 3.38Å; A173-M175 HydrophobicContact CB-CE 4.28Å
176Y97.9Very high95.1Very high1 Ų134.1 Ų34.10%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-136.7152.3-171.9-36.3-67000109.8F105 V106 S132 I133 N172 E194 F198F105-Y176 CarbonylContact C-O 3.52Å; F105-Y176 VanDerWaalsContact CA-O 3.3Å; F105-Y176 WeakPolarHBondContact CA-O 3.33Å; V106-Y176 HydrophobicContact CB-CD2 3.79Å; V106-Y176 HydrophobicContact CG1-CD2 3.81Å; V106-Y176 HydrophobicContact CG1-CE2 4.32Å; V106-Y176 PolarHBondContact N-O 2.9Å; V106-Y176 WeakPolarHBondContact O-CD2 3.37Å; V106-Y176 PolarHBondContact O-N 2.85Å; S132-Y176 WeakPolarHBondContact O-CA 3.37Å; I133-Y176 HydrophobicContact CB-CD1 3.91Å; I133-Y176 HydrophobicContact CB-CE1 4.4Å; I133-Y176 HydrophobicContact CG2-CD1 3.6Å; I133-Y176 HydrophobicContact CG2-CE1 4.15Å; N172-Y176 PolarHBondContact ND2-OH 2.9Å; N172-Y176 WeakPolarHBondContact OD1-CE1 3.44Å; Y176-E194 PolarHBondContact OH-OE1 3.12Å; Y176-F198 AromaticContact CD1-CE2 3.99Å; Y176-F198 HydrophobicContact CD1-CE2 3.99Å; Y176-F198 AromaticContact CD1-CZ 3.72Å; Y176-F198 HydrophobicContact CD1-CZ 3.72Å; Y176-F198 HydrophobicContact CD2-CZ 4.34Å; Y176-F198 AromaticContact CE1-CE2 3.53Å; Y176-F198 HydrophobicContact CE1-CE2 3.53Å; Y176-F198 AromaticContact CE1-CZ 3.75Å; Y176-F198 HydrophobicContact CE1-CZ 3.75Å; Y176-F198 HydrophobicContact CE2-CE2 4.49Å; Y176-F198 HydrophobicContact CE2-CZ 4.39Å; Y176-F198 AromaticContact CG-CZ 4Å; Y176-F198 HydrophobicContact CG-CZ 4Å; Y176-F198 AromaticContact CZ-CE2 3.82Å
177I98.4Very high95.4Very high0 Ų032.9 Ų32.90%016%0.159CC..EExtended strand (participates in β ladder)trans-125.7124.7162.5-177.8169000107.8P103 F104 F105 M120 V121 H124 S132P103-I177 HydrophobicContact CB-CD1 4.16Å; P103-I177 HydrophobicContact CB-CG1 3.91Å; P103-I177 HydrophobicContact CG-CD1 4.16Å; P103-I177 HydrophobicContact CG-CG1 4.46Å; F104-I177 WeakPolarHBondContact O-CA 3.49Å; F105-I177 HydrophobicContact CD1-CB 4.06Å; F105-I177 HydrophobicContact CD1-CG1 4.47Å; F105-I177 HydrophobicContact CE1-CB 4.15Å; F105-I177 HydrophobicContact CE1-CD1 4.1Å; F105-I177 HydrophobicContact CE1-CG1 4.46Å; F105-I177 HydrophobicContact CZ-CD1 4.17Å; M120-I177 HydrophobicContact CB-CG2 4.37Å; M120-I177 HydrophobicContact CE-CG2 4.25Å; V121-I177 HydrophobicContact CB-CD1 4.35Å; V121-I177 HydrophobicContact CG2-CD1 3.81Å; H124-I177 HydrophobicContact CB-CD1 4.02Å; H124-I177 HydrophobicContact CB-CG1 4.29Å; H124-I177 HydrophobicContact CB-CG2 3.65Å; H124-I177 PolarHBondContact CE1-O 2.78Å; H124-I177 PolarHBondContact ND1-O 3.46Å; S132-I177 PolarHBondContact N-O 3.44Å; S132-I177 PolarHBondContact O-N 2.78Å
178L98.5Very high95.7Very high0 Ų035.9 Ų35.90%017%0.173CC..EExtended strand (participates in β ladder)trans-127.4142.1-169.3-55.9177.3000110.4L90 P103 F104 V106 E130 V182 I193 F198L90-L178 HydrophobicContact CD2-CD1 3.98Å; P103-L178 CarbonylContact C-O 3.57Å; P103-L178 VanDerWaalsContact CA-O 3.22Å; P103-L178 WeakPolarHBondContact CA-O 3.48Å; P103-L178 WeakPolarHBondContact CB-O 3.26Å; F104-L178 WeakPolarHBondContact CD1-O 3.16Å; F104-L178 HydrophobicContact CE1-CB 4.3Å; F104-L178 HydrophobicContact CE2-CB 4.13Å; F104-L178 HydrophobicContact CE2-CD1 4.29Å; F104-L178 HydrophobicContact CZ-CB 3.92Å; F104-L178 HydrophobicContact CZ-CD1 4.43Å; F104-L178 PolarHBondContact N-O 2.83Å; F104-L178 PolarHBondContact O-N 3.42Å; V106-L178 HydrophobicContact CG2-CD1 3.93Å; E130-L178 WeakPolarHBondContact O-CA 3.49Å; L178-V182 HydrophobicContact CB-CG1 3.95Å; L178-V182 HydrophobicContact CD1-CG1 4.08Å; L178-I193 HydrophobicContact CD1-CD1 4.03Å; L178-F198 HydrophobicContact CD2-CE1 4.32Å
179S97.9Very high95.7Very high29 Ų2939.2 Ų39.220%0.20319%0.187CC..  trans-79.2147.4169.2-71.80000110.6H124 E130 A181 V182H124-S179 PolarHBondContact NE2-OG 3.42Å; E130-S179 PolarHBondContact O-N 3.28Å; S179-A181 PolarHBondContact O-N 3.35Å; S179-V182 WeakPolarHBondContact O-CG1 3.31Å; S179-V182 PolarHBondContact O-N 2.87Å
180P97.2Very high95.8Very high26 Ų2640 Ų4017%0.16920%0.196CC..G310 helixtrans-51.6-27.2177.9-29.335.9000115.2T100 D102 V182 L183T100-P180 WeakPolarHBondContact O-CG 3.44Å; D102-P180 WeakPolarHBondContact O-CD 3.38Å; D102-P180 WeakPolarHBondContact O-CG 3.37Å; P180-V182 PolarHBondContact O-N 2.83Å; P180-V182 VanDerWaalsContact O-N 3.15Å; P180-L183 VanDerWaalsContact O-CB 3.31Å; P180-L183 WeakPolarHBondContact O-CB 3.25Å; P180-L183 WeakPolarHBondContact O-CG 3.33Å; P180-L183 PolarHBondContact O-N 3.29Å
181A96.8Very high95.7Very high28 Ų2838.5 Ų38.523%0.23119%0.19CC..G310 helixtrans-54.3-30.8175.800000113.9E130 S179 L183 R184E130-A181 HydrophobicContact CG-CB 4.07Å; S179-A181 PolarHBondContact O-N 3.35Å; A181-L183 PolarHBondContact O-N 2.92Å; A181-R184 PolarHBondContact O-N 3.16Å
182V97Very high95.6Very high0 Ų039.6 Ų39.60%020%0.198CC..G310 helixtrans-60.2-30.1178.580.30000111.9F104 L178 S179 P180 R184 R185 V197 M201F104-V182 HydrophobicContact CZ-CG1 4.04Å; L178-V182 HydrophobicContact CB-CG1 3.95Å; L178-V182 HydrophobicContact CD1-CG1 4.08Å; S179-V182 WeakPolarHBondContact O-CG1 3.31Å; S179-V182 PolarHBondContact O-N 2.87Å; P180-V182 PolarHBondContact O-N 2.83Å; P180-V182 VanDerWaalsContact O-N 3.15Å; V182-R184 PolarHBondContact O-N 2.89Å; V182-R184 VanDerWaalsContact O-N 3.14Å; V182-R185 VanDerWaalsContact O-CB 3.27Å; V182-R185 WeakPolarHBondContact O-CB 3.21Å; V182-R185 PolarHBondContact O-N 3.48Å; V182-V197 HydrophobicContact CG2-CG1 4.24Å; V182-M201 HydrophobicContact CG2-CE 3.91Å; V182-M201 HydrophobicContact CG2-SD 3.7Å
183L96.9Very high95.5Very high4 Ų439 Ų392%0.02120%0.195CC..G310 helixtrans-65.4-20.6-175.4-60.6169.7000112.4L90 R94 L97 F104 P180 A181 R185 I186L90-L183 HydrophobicContact CB-CD2 4.04Å; R94-L183 HydrophobicContact CG-CB 4.15Å; R94-L183 HydrophobicContact CG-CD1 4.14Å; L97-L183 HydrophobicContact CB-CD1 3.85Å; L97-L183 HydrophobicContact CD1-CD2 4.19Å; F104-L183 HydrophobicContact CE1-CD1 4.24Å; F104-L183 HydrophobicContact CE1-CG 4.33Å; F104-L183 HydrophobicContact CZ-CD1 4.46Å; F104-L183 HydrophobicContact CZ-CD2 3.94Å; F104-L183 HydrophobicContact CZ-CG 4.21Å; P180-L183 VanDerWaalsContact O-CB 3.31Å; P180-L183 WeakPolarHBondContact O-CB 3.25Å; P180-L183 WeakPolarHBondContact O-CG 3.33Å; P180-L183 PolarHBondContact O-N 3.29Å; A181-L183 PolarHBondContact O-N 2.92Å; L183-R185 PolarHBondContact O-N 2.8Å; L183-I186 PolarHBondContact O-N 2.91Å
184R95.6Very high95.5Very high207 Ų20739.7 Ų39.778%0.78120%0.197SC*.G310 helixtrans-71.1-18.7173.4-65.2-174.5-68.3-140.62.5113.1A181 V182A181-R184 PolarHBondContact O-N 3.16Å; V182-R184 PolarHBondContact O-N 2.89Å; V182-R184 VanDerWaalsContact O-N 3.14Å
185R95.8Very high95.4Very high79 Ų7946 Ų4630%0.29823%0.225SC..G310 helixtrans-85.6-12.4177.9-55.6178.6177.5-90.4-0.7112.7E130 V182 L183 V197 E204E130-R185 IonicContact OE1-CZ 2.99Å; E130-R185 IonicContact OE1-NE 3.91Å; E130-R185 IonicContact OE1-NH2 2.66Å; E130-R185 PolarHBondContact OE1-NH2 2.88Å; E130-R185 IonicContact OE2-CZ 2.8Å; E130-R185 IonicContact OE2-NE 3.1Å; E130-R185 PolarHBondContact OE2-NE 3.21Å; E130-R185 IonicContact OE2-NH2 2.97Å; E130-R185 PolarHBondContact OE2-NH2 3.34Å; V182-R185 VanDerWaalsContact O-CB 3.27Å; V182-R185 WeakPolarHBondContact O-CB 3.21Å; V182-R185 PolarHBondContact O-N 3.48Å; L183-R185 PolarHBondContact O-N 2.8Å; R185-V197 HydrophobicContact CB-CG1 4.28Å; R185-E204 IonicContact CZ-OE2 3.61Å; R185-E204 VanDerWaalsContact NH1-CD 3.34Å; R185-E204 IonicContact NH1-OE1 3.43Å; R185-E204 PolarHBondContact NH1-OE1 3Å; R185-E204 IonicContact NH1-OE2 2.68Å; R185-E204 PolarHBondContact NH1-OE2 3.02Å; R185-E204 IonicContact NH2-OE2 3.27Å; R185-E204 PolarHBondContact NH2-OE2 3.42Å
186I95.9Very high95.2Very high2 Ų250.4 Ų50.41%0.0125%0.245CC..  trans-112.5119.1-169.4-48.1176.2000109.1A87 L90 A91 R94 L183 V197A87-I186 HydrophobicContact CB-CD1 4.34Å; A87-I186 HydrophobicContact CB-CG2 3.75Å; A87-I186 WeakPolarHBondContact O-CG2 3.37Å; L90-I186 HydrophobicContact CB-CD1 3.99Å; L90-I186 HydrophobicContact CD2-CD1 3.8Å; A91-I186 HydrophobicContact CB-CG2 3.87Å; R94-I186 PolarHBondContact NH2-O 3.14Å; L183-I186 PolarHBondContact O-N 2.91Å; I186-V197 HydrophobicContact CG1-CG2 4.21Å
187Q92.9Very high95.1Very high126 Ų12650.6 Ų50.659%0.58925%0.246SC*.  trans-88154.6171.9-65.7179.6-6.300110.1Q189Q187-Q189 HydrophobicContact CB-CG 4.21Å; Q187-Q189 PolarHBondContact O-N 3.19Å
188L92.4Very high95.1Very high105 Ų10550.6 Ų50.655%0.5525%0.246SC..SBendtrans-79.178.1176.4-175.265.9000109.6L84 A91 L92L84-L188 HydrophobicContact CD1-CD1 3.86Å; A91-L188 HydrophobicContact CB-CB 4.21Å; A91-L188 HydrophobicContact CB-CD1 4.02Å; L92-L188 HydrophobicContact CB-CD1 3.94Å; L92-L188 HydrophobicContact CD1-CD1 4.23Å
189Q91.3Very high95Very high90 Ų9052 Ų5242%0.42126%0.256SS..SBendtrans-154.9168.5177.469.3-171.1-16.700109.3Q187 T191Q187-Q189 HydrophobicContact CB-CG 4.21Å; Q187-Q189 PolarHBondContact O-N 3.19Å; Q189-T191 WeakPolarHBondContact CG-OG1 3.37Å; Q189-T191 PolarHBondContact O-N 3.22Å; Q189-T191 PolarHBondContact O-OG1 2.85Å
190P91.9Very high94.9Very high85 Ų8554.6 Ų54.655%0.55227%0.266SS*.SBendtrans-54.3111.8171.6-26.736.2000112.1L84L84-P190 HydrophobicContact CD2-CG 4.25Å; L84-P190 CarbonylContact O-C 3.58Å; L84-P190 WeakPolarHBondContact O-CA 3.27Å
191T92.7Very high94.9Very high10 Ų1053.3 Ų53.36%0.06126%0.258CS..  trans-149.5133.6-174.3-60.40000110.5L84 G85 T86 A87 Q189 E196 V197L84-T191 PolarHBondContact O-N 2.81Å; G85-T191 CarbonylContact C-O 3.51Å; T86-T191 PolarHBondContact N-O 2.91Å; T86-T191 VanDerWaalsContact N-O 3.11Å; A87-T191 HydrophobicContact CB-CG2 3.74Å; A87-T191 WeakPolarHBondContact CB-O 3.42Å; A87-T191 PolarHBondContact N-O 2.75Å; Q189-T191 WeakPolarHBondContact CG-OG1 3.37Å; Q189-T191 PolarHBondContact O-N 3.22Å; Q189-T191 PolarHBondContact O-OG1 2.85Å; T191-E196 WeakPolarHBondContact CA-OE1 3.31Å; T191-E196 HydrophobicContact CG2-CB 4.01Å; T191-E196 HydrophobicContact CG2-CG 4.48Å; T191-V197 HydrophobicContact CG2-CG2 4.47Å
192S93.7Very high94.9Very high23 Ų2352.1 Ų52.116%0.16125%0.248CC..  trans-96.3122.9171.4164.50000110.7T86 E194 K195 E196T86-S192 WeakPolarHBondContact OG1-CA 3.43Å; S192-E194 PolarHBondContact O-N 3.47Å; S192-E194 PolarHBondContact OG-N 3.32Å; S192-E194 PolarHBondContact OG-OE2 2.87Å; S192-K195 PolarHBondContact O-N 2.77Å; S192-K195 PolarHBondContact OG-N 2.84Å; S192-E196 PolarHBondContact N-OE1 2.61Å; S192-E196 WeakPolarHBondContact O-CB 3.34Å; S192-E196 PolarHBondContact O-N 3.28Å
193I95.1Very high94.9Very high2 Ų260.7 Ų60.71%0.0129%0.285CS..Iπ-helixtrans-62.4-36.7179.2-160.9174.2000110.8T86 A87 L90 L178 V197 F198T86-I193 PolarHBondContact OG1-N 2.83Å; A87-I193 HydrophobicContact CB-CB 3.91Å; L90-I193 HydrophobicContact CD2-CD1 3.9Å; L178-I193 HydrophobicContact CD1-CD1 4.03Å; I193-V197 HydrophobicContact CG1-CB 3.82Å; I193-V197 HydrophobicContact CG1-CG1 4.26Å; I193-V197 HydrophobicContact CG1-CG2 4.2Å; I193-V197 WeakPolarHBondContact O-CB 3.43Å; I193-V197 PolarHBondContact O-N 3.3Å; I193-V197 VanDerWaalsContact O-N 3.12Å; I193-F198 HydrophobicContact CD1-CD1 4.41Å; I193-F198 HydrophobicContact CD1-CE1 3.61Å; I193-F198 HydrophobicContact CD1-CE2 4.46Å; I193-F198 HydrophobicContact CD1-CZ 3.63Å; I193-F198 HydrophobicContact CG1-CD1 4.07Å; I193-F198 HydrophobicContact CG1-CE1 3.73Å; I193-F198 HydrophobicContact CG1-CE2 4.27Å; I193-F198 HydrophobicContact CG1-CG 4.48Å; I193-F198 HydrophobicContact CG1-CZ 3.84Å; I193-F198 HydrophobicContact CG2-CD2 4.49Å; I193-F198 HydrophobicContact CG2-CE2 3.92Å; I193-F198 HydrophobicContact CG2-CZ 4.09Å; I193-F198 PolarHBondContact O-N 2.9Å
194E94.3Very high94.9Very high13 Ų1365.2 Ų65.26%0.06131%0.306CS..Iπ-helixtrans-70.7-32.2-178.3-56.484.9179.800113T86 F159 E161 Y176 S192 F198 P199T86-E194 PolarHBondContact OG1-OE2 3.14Å; F159-E194 VanDerWaalsContact CD1-O 3.28Å; F159-E194 WeakPolarHBondContact CD1-O 3.26Å; F159-E194 HydrophobicContact CE1-CB 3.78Å; F159-E194 HydrophobicContact CE1-CG 4.5Å; F159-E194 WeakPolarHBondContact CE1-O 3.28Å; F159-E194 HydrophobicContact CZ-CB 4Å; F159-E194 HydrophobicContact CZ-CG 4.22Å; E161-E194 HydrophobicContact CG-CB 4.43Å; Y176-E194 PolarHBondContact OH-OE1 3.12Å; S192-E194 PolarHBondContact O-N 3.47Å; S192-E194 PolarHBondContact OG-N 3.32Å; S192-E194 PolarHBondContact OG-OE2 2.87Å; E194-F198 HydrophobicContact CG-CD2 4.42Å; E194-F198 HydrophobicContact CG-CE2 4.46Å; E194-P199 WeakPolarHBondContact O-CD 3.36Å; E194-P199 WeakPolarHBondContact O-CG 2.9Å
195K92.9Very high95Very high136 Ų13656 Ų5659%0.59128%0.275SS*.Iπ-helixtrans-93.4-35.7-178.2-68-177.7177.7-179.10113.4E161 S192 P199E161-K195 HydrophobicContact CB-CG 3.91Å; E161-K195 HydrophobicContact CG-CD 4.5Å; E161-K195 HydrophobicContact CG-CG 3.83Å; S192-K195 PolarHBondContact O-N 2.77Å; S192-K195 PolarHBondContact OG-N 2.84Å; K195-P199 WeakPolarHBondContact O-CG 3.01Å
196E94.3Very high95.1Very high93 Ų9354 Ų5444%0.43527%0.269SS..Iπ-helixtrans-112.4-28.4-164.9-63.3170.9-10300112.6T191 S192 I200T191-E196 WeakPolarHBondContact CA-OE1 3.31Å; T191-E196 HydrophobicContact CG2-CB 4.01Å; T191-E196 HydrophobicContact CG2-CG 4.48Å; S192-E196 PolarHBondContact N-OE1 2.61Å; S192-E196 WeakPolarHBondContact O-CB 3.34Å; S192-E196 PolarHBondContact O-N 3.28Å; E196-I200 WeakPolarHBondContact O-CD1 3.25Å
197V96.4Very high95.2Very high5 Ų553.9 Ų53.93%0.0327%0.269CS..Iπ-helixtrans-105.9-55.2-173.5-173.60000111.6V182 R185 I186 T191 I193 I200 M201V182-V197 HydrophobicContact CG2-CG1 4.24Å; R185-V197 HydrophobicContact CB-CG1 4.28Å; I186-V197 HydrophobicContact CG1-CG2 4.21Å; T191-V197 HydrophobicContact CG2-CG2 4.47Å; I193-V197 HydrophobicContact CG1-CB 3.82Å; I193-V197 HydrophobicContact CG1-CG1 4.26Å; I193-V197 HydrophobicContact CG1-CG2 4.2Å; I193-V197 WeakPolarHBondContact O-CB 3.43Å; I193-V197 PolarHBondContact O-N 3.3Å; I193-V197 VanDerWaalsContact O-N 3.12Å; V197-I200 PolarHBondContact O-N 2.86Å; V197-I200 VanDerWaalsContact O-N 3.1Å; V197-M201 HydrophobicContact CG1-CG 4.23Å; V197-M201 HydrophobicContact CG1-SD 3.76Å; V197-M201 WeakPolarHBondContact O-CG 3.43Å; V197-M201 PolarHBondContact O-N 3.11Å
198F97.2Very high95.5Very high0 Ų049.3 Ų49.30%025%0.246CC..Hα-helixtrans-59.2-40.2-177.8-69.6-22.7000114.4I133 F159 Y176 L178 I193 E194 I200 M201 A202 L207I133-F198 HydrophobicContact CG2-CE1 4.27Å; I133-F198 HydrophobicContact CG2-CE2 4.16Å; I133-F198 HydrophobicContact CG2-CZ 3.95Å; F159-F198 HydrophobicContact CB-CB 4.43Å; F159-F198 HydrophobicContact CD1-CB 4.2Å; F159-F198 HydrophobicContact CD2-CB 4.16Å; F159-F198 HydrophobicContact CD2-CD2 4.31Å; F159-F198 HydrophobicContact CE1-CD2 4.46Å; F159-F198 AromaticContact CE2-CD2 3.88Å; F159-F198 HydrophobicContact CE2-CD2 3.88Å; F159-F198 HydrophobicContact CG-CB 4Å; F159-F198 AromaticContact CZ-CD2 3.97Å; F159-F198 HydrophobicContact CZ-CD2 3.97Å; Y176-F198 AromaticContact CD1-CE2 3.99Å; Y176-F198 HydrophobicContact CD1-CE2 3.99Å; Y176-F198 AromaticContact CD1-CZ 3.72Å; Y176-F198 HydrophobicContact CD1-CZ 3.72Å; Y176-F198 HydrophobicContact CD2-CZ 4.34Å; Y176-F198 AromaticContact CE1-CE2 3.53Å; Y176-F198 HydrophobicContact CE1-CE2 3.53Å; Y176-F198 AromaticContact CE1-CZ 3.75Å; Y176-F198 HydrophobicContact CE1-CZ 3.75Å; Y176-F198 HydrophobicContact CE2-CE2 4.49Å; Y176-F198 HydrophobicContact CE2-CZ 4.39Å; Y176-F198 AromaticContact CG-CZ 4Å; Y176-F198 HydrophobicContact CG-CZ 4Å; Y176-F198 AromaticContact CZ-CE2 3.82Å; L178-F198 HydrophobicContact CD2-CE1 4.32Å; I193-F198 HydrophobicContact CD1-CD1 4.41Å; I193-F198 HydrophobicContact CD1-CE1 3.61Å; I193-F198 HydrophobicContact CD1-CE2 4.46Å; I193-F198 HydrophobicContact CD1-CZ 3.63Å; I193-F198 HydrophobicContact CG1-CD1 4.07Å; I193-F198 HydrophobicContact CG1-CE1 3.73Å; I193-F198 HydrophobicContact CG1-CE2 4.27Å; I193-F198 HydrophobicContact CG1-CG 4.48Å; I193-F198 HydrophobicContact CG1-CZ 3.84Å; I193-F198 HydrophobicContact CG2-CD2 4.49Å; I193-F198 HydrophobicContact CG2-CE2 3.92Å; I193-F198 HydrophobicContact CG2-CZ 4.09Å; I193-F198 PolarHBondContact O-N 2.9Å; E194-F198 HydrophobicContact CG-CD2 4.42Å; E194-F198 HydrophobicContact CG-CE2 4.46Å; F198-I200 PolarHBondContact O-N 2.94Å; F198-M201 HydrophobicContact CD1-SD 3.95Å; F198-M201 HydrophobicContact CE1-SD 4.43Å; F198-M201 PolarHBondContact O-N 2.92Å; F198-A202 WeakPolarHBondContact O-CB 3.39Å; F198-A202 PolarHBondContact O-N 3.03Å; F198-L207 HydrophobicContact CB-CD2 3.78Å; F198-L207 HydrophobicContact CD1-CD1 3.78Å; F198-L207 HydrophobicContact CD1-CD2 3.92Å; F198-L207 HydrophobicContact CE1-CD1 4.02Å; F198-L207 HydrophobicContact CG-CD2 3.91Å
199P95.9Very high95.8Very high30 Ų3044.7 Ų44.720%0.19522%0.223CC..Hα-helixtrans-62.7-31.2176.6-26.538.3000113.3F159 E194 K195 K203F159-P199 HydrophobicContact CD1-CG 4.27Å; E194-P199 WeakPolarHBondContact O-CD 3.36Å; E194-P199 WeakPolarHBondContact O-CG 2.9Å; K195-P199 WeakPolarHBondContact O-CG 3.01Å; P199-K203 WeakPolarHBondContact O-CG 3.32Å; P199-K203 PolarHBondContact O-N 2.84Å
200I96.7Very high96.1Very high82 Ų8241.6 Ų41.642%0.42121%0.209SC..Hα-helixtrans-74.4-49.6176-59.8178.9000109.7E196 V197 F198 A202 K203 E204E196-I200 WeakPolarHBondContact O-CD1 3.25Å; V197-I200 PolarHBondContact O-N 2.86Å; V197-I200 VanDerWaalsContact O-N 3.1Å; F198-I200 PolarHBondContact O-N 2.94Å; I200-A202 VanDerWaalsContact C-N 3.27Å; I200-A202 PolarHBondContact O-N 2.87Å; I200-K203 PolarHBondContact O-N 3.26Å; I200-K203 VanDerWaalsContact O-N 3.1Å; I200-E204 VanDerWaalsContact CG2-OE1 3.24Å; I200-E204 WeakPolarHBondContact CG2-OE1 3.43Å; I200-E204 WeakPolarHBondContact O-CG 3.24Å; I200-E204 PolarHBondContact O-N 3.02Å
201M97.8Very high96.3Very high0 Ų040.7 Ų40.70%020%0.198CC..Hα-helixtrans-57-40.5177-66.3174.373.100112.3E130 V182 V197 F198 E204 G205 Q206 L207E130-M201 HydrophobicContact CB-CE 3.63Å; V182-M201 HydrophobicContact CG2-CE 3.91Å; V182-M201 HydrophobicContact CG2-SD 3.7Å; V197-M201 HydrophobicContact CG1-CG 4.23Å; V197-M201 HydrophobicContact CG1-SD 3.76Å; V197-M201 WeakPolarHBondContact O-CG 3.43Å; V197-M201 PolarHBondContact O-N 3.11Å; F198-M201 HydrophobicContact CD1-SD 3.95Å; F198-M201 HydrophobicContact CE1-SD 4.43Å; F198-M201 PolarHBondContact O-N 2.92Å; M201-E204 PolarHBondContact O-N 3.06Å; M201-G205 PolarHBondContact O-N 3.39Å; M201-G205 VanDerWaalsContact O-N 3.16Å; M201-Q206 HydrophobicContact CB-CB 4.16Å; M201-Q206 PolarHBondContact O-N 3.42Å; M201-L207 HydrophobicContact CB-CB 4.01Å; M201-L207 HydrophobicContact CB-CD1 4.4Å; M201-L207 HydrophobicContact CE-CD1 3.7Å; M201-L207 HydrophobicContact SD-CD1 4.09Å
202A97.1Very high96.4Very high3 Ų340.7 Ų40.73%0.02520%0.197CC..Hα-helixtrans-60.7-46.6175.900000111.9I156 F198 I200 E204 G205I156-A202 HydrophobicContact CB-CB 4.39Å; I156-A202 HydrophobicContact CG2-CB 3.83Å; F198-A202 WeakPolarHBondContact O-CB 3.39Å; F198-A202 PolarHBondContact O-N 3.03Å; I200-A202 VanDerWaalsContact C-N 3.27Å; I200-A202 PolarHBondContact O-N 2.87Å; A202-E204 VanDerWaalsContact C-N 3.26Å; A202-E204 PolarHBondContact O-N 3.09Å; A202-G205 PolarHBondContact O-N 2.97Å; A202-G205 VanDerWaalsContact O-N 3.09Å
203K96.3Very high96.3Very high179 Ų17946.3 Ų46.378%0.77822%0.221SC*.Hα-helixtrans-61.5-34.7177.2-73.8173.9-178.51790112.6P199 I200 G205P199-K203 WeakPolarHBondContact O-CG 3.32Å; P199-K203 PolarHBondContact O-N 2.84Å; I200-K203 PolarHBondContact O-N 3.26Å; I200-K203 VanDerWaalsContact O-N 3.1Å; K203-G205 VanDerWaalsContact C-N 3.28Å; K203-G205 PolarHBondContact O-N 2.72Å
204E97.2Very high96.1Very high100 Ų10049 Ų4947%0.46725%0.249SC..THydrogen-bonded Turntrans-83-0.1178.6-66.2175.3-166.800113.5R185 I200 M201 A202 Q206R185-E204 IonicContact CZ-OE2 3.61Å; R185-E204 VanDerWaalsContact NH1-CD 3.34Å; R185-E204 IonicContact NH1-OE1 3.43Å; R185-E204 PolarHBondContact NH1-OE1 3Å; R185-E204 IonicContact NH1-OE2 2.68Å; R185-E204 PolarHBondContact NH1-OE2 3.02Å; R185-E204 IonicContact NH2-OE2 3.27Å; R185-E204 PolarHBondContact NH2-OE2 3.42Å; I200-E204 VanDerWaalsContact CG2-OE1 3.24Å; I200-E204 WeakPolarHBondContact CG2-OE1 3.43Å; I200-E204 WeakPolarHBondContact O-CG 3.24Å; I200-E204 PolarHBondContact O-N 3.02Å; M201-E204 PolarHBondContact O-N 3.06Å; A202-E204 VanDerWaalsContact C-N 3.26Å; A202-E204 PolarHBondContact O-N 3.09Å; E204-Q206 VanDerWaalsContact C-N 3.27Å; E204-Q206 HydrophobicContact CB-CG 4.08Å; E204-Q206 PolarHBondContact O-N 2.88Å
205G97.1Very high96.1Very high12 Ų1249.3 Ų49.312%0.12425%0.25CS..THydrogen-bonded Turntrans71.221.2-178.500000114.1M201 A202 K203 Y208M201-G205 PolarHBondContact O-N 3.39Å; M201-G205 VanDerWaalsContact O-N 3.16Å; A202-G205 PolarHBondContact O-N 2.97Å; A202-G205 VanDerWaalsContact O-N 3.09Å; K203-G205 VanDerWaalsContact C-N 3.28Å; K203-G205 PolarHBondContact O-N 2.72Å; G205-Y208 WeakPolarHBondContact O-CE2 3.39Å
206Q98.3Very high96.3Very high38 Ų3844.1 Ų44.118%0.17823%0.227CC..  trans-96.5-1.5-175.6-70.9-58.1-37.500114.3E130 G131 M201 E204E130-Q206 HydrophobicContact CB-CB 4.21Å; E130-Q206 HydrophobicContact CG-CB 4.48Å; E130-Q206 HydrophobicContact CG-CG 4.46Å; E130-Q206 PolarHBondContact N-O 3.17Å; E130-Q206 VanDerWaalsContact N-OE1 3.11Å; G131-Q206 PolarHBondContact N-O 2.93Å; M201-Q206 HydrophobicContact CB-CB 4.16Å; M201-Q206 PolarHBondContact O-N 3.42Å; E204-Q206 VanDerWaalsContact C-N 3.27Å; E204-Q206 HydrophobicContact CB-CG 4.08Å; E204-Q206 PolarHBondContact O-N 2.88Å
207L98.4Very high96.3Very high0 Ų040.9 Ų40.90%021%0.212CC..EExtended strand (participates in β ladder)trans-124.9132.3-174.5-156.873.7000112G131 I133 I156 F198 M201G131-L207 WeakPolarHBondContact O-CA 3.47Å; I133-L207 HydrophobicContact CD1-CD2 4.37Å; I133-L207 HydrophobicContact CG2-CD1 3.99Å; I133-L207 HydrophobicContact CG2-CD2 4.29Å; I133-L207 HydrophobicContact CG2-CG 4.24Å; I156-L207 HydrophobicContact CB-CB 4.47Å; I156-L207 WeakPolarHBondContact CB-O 3.36Å; I156-L207 HydrophobicContact CD1-CB 4.21Å; I156-L207 HydrophobicContact CD1-CD2 3.73Å; I156-L207 HydrophobicContact CD1-CG 3.73Å; I156-L207 PolarHBondContact N-O 3.01Å; F198-L207 HydrophobicContact CB-CD2 3.78Å; F198-L207 HydrophobicContact CD1-CD1 3.78Å; F198-L207 HydrophobicContact CD1-CD2 3.92Å; F198-L207 HydrophobicContact CE1-CD1 4.02Å; F198-L207 HydrophobicContact CG-CD2 3.91Å; M201-L207 HydrophobicContact CB-CB 4.01Å; M201-L207 HydrophobicContact CB-CD1 4.4Å; M201-L207 HydrophobicContact CE-CD1 3.7Å; M201-L207 HydrophobicContact SD-CD1 4.09Å
208Y98.6Very high96.2Very high30 Ų3041.6 Ų41.612%0.11822%0.215CC..EExtended strand (participates in β ladder)trans-126.9148.1-177.6-72.6-109.5000110.9H127 Q129 G131 S132 I133 T153 G154 R155 I156 G205H127-Y208 HydrophobicContact CB-CD1 4.1Å; H127-Y208 HydrophobicContact CB-CE1 4.05Å; H127-Y208 HydrophobicContact CB-CG 4.36Å; H127-Y208 AromaticContact CD2-CG 3.8Å; H127-Y208 AromaticContact CE1-CD2 3.83Å; H127-Y208 AromaticContact CG-CD2 3.95Å; H127-Y208 AromaticContact CG-CG 3.83Å; H127-Y208 AromaticContact ND1-CD2 3.65Å; H127-Y208 AromaticContact ND1-CG 3.99Å; H127-Y208 AromaticContact NE2-CG 3.95Å; Q129-Y208 HydrophobicContact CB-CD2 4.13Å; Q129-Y208 HydrophobicContact CB-CE2 3.84Å; Q129-Y208 HydrophobicContact CG-CD2 4.2Å; Q129-Y208 HydrophobicContact CG-CE2 3.46Å; Q129-Y208 VanDerWaalsContact CG-CE2 3.46Å; G131-Y208 PolarHBondContact O-N 2.83Å; S132-Y208 CarbonylContact C-O 3.49Å; S132-Y208 VanDerWaalsContact CA-O 3.26Å; S132-Y208 WeakPolarHBondContact CA-O 3.42Å; I133-Y208 PolarHBondContact N-O 2.83Å; T153-Y208 WeakPolarHBondContact O-CD1 3.44Å; G154-Y208 CarbonylContact O-C 3.57Å; G154-Y208 WeakPolarHBondContact O-CA 3.31Å; R155-Y208 HydrophobicContact CB-CD1 3.98Å; R155-Y208 HydrophobicContact CB-CE1 3.55Å; R155-Y208 HydrophobicContact CG-CE1 3.93Å; R155-Y208 HydrophobicContact CG-CE2 4.1Å; I156-Y208 VanDerWaalsContact CD1-C 3.48Å; G205-Y208 WeakPolarHBondContact O-CE2 3.39Å
209A98Very high96.1Very high7 Ų741.6 Ų41.66%0.05822%0.215CC..EExtended strand (participates in β ladder)trans-107.6128.1178.500000110.5F123 I133 V135 V147 C149 G154 I156F123-A209 WeakPolarHBondContact CZ-O 3.4Å; I133-A209 HydrophobicContact CG1-CB 4.36Å; I133-A209 WeakPolarHBondContact O-CA 3.48Å; V135-A209 HydrophobicContact CG1-CB 3.9Å; V135-A209 HydrophobicContact CG2-CB 4.07Å; V147-A209 HydrophobicContact CG1-CB 4.11Å; C149-A209 HydrophobicContact CB-CB 4.07Å; G154-A209 PolarHBondContact O-N 2.9Å; I156-A209 HydrophobicContact CD1-CB 3.9Å; I156-A209 HydrophobicContact CG1-CB 3.84Å
210M97.5Very high96Very high26 Ų2640.2 Ų40.213%0.12821%0.207CC..EExtended strand (participates in β ladder)trans-106124.9167.3-168.8179.991.300109.3P116 A119 M120 F123 I133 L134 V135 L212P116-M210 HydrophobicContact CB-CE 4.35Å; P116-M210 HydrophobicContact CG-CE 3.94Å; A119-M210 HydrophobicContact CB-CE 4.3Å; M120-M210 HydrophobicContact CB-CE 4.32Å; M120-M210 HydrophobicContact CG-CE 3.35Å; M120-M210 HydrophobicContact CG-SD 4.16Å; F123-M210 HydrophobicContact CB-SD 3.72Å; F123-M210 HydrophobicContact CD1-CB 3.87Å; F123-M210 HydrophobicContact CD1-CG 4.35Å; F123-M210 HydrophobicContact CD1-SD 4.4Å; F123-M210 HydrophobicContact CD2-CB 4.49Å; F123-M210 HydrophobicContact CD2-CG 4.29Å; F123-M210 HydrophobicContact CD2-SD 4.49Å; F123-M210 HydrophobicContact CE1-CB 3.93Å; F123-M210 HydrophobicContact CG-CB 4.15Å; F123-M210 HydrophobicContact CG-CG 4.13Å; F123-M210 HydrophobicContact CG-SD 3.96Å; F123-M210 HydrophobicContact CZ-CB 4.28Å; I133-M210 PolarHBondContact O-N 2.96Å; L134-M210 CarbonylContact C-O 3.56Å; L134-M210 WeakPolarHBondContact CA-O 3.33Å; L134-M210 HydrophobicContact CD1-CB 4.34Å; L134-M210 HydrophobicContact CD1-CE 3.45Å; L134-M210 VanDerWaalsContact CD1-CE 3.45Å; V135-M210 PolarHBondContact N-O 3.32Å; M210-L212 PolarHBondContact O-N 2.99Å
211E96.2Very high95.9Very high66 Ų6639.3 Ų39.331%0.30820%0.201SC..EExtended strand (participates in β ladder)trans-77.9121.3178.6-169.2167147.300110.7V135 K137 K170 Q213V135-E211 HydrophobicContact CG2-CB 4.34Å; K137-E211 VanDerWaalsContact CE-OE1 3.25Å; K137-E211 WeakPolarHBondContact CE-OE1 3.36Å; K137-E211 IonicContact NZ-OE1 3.17Å; K137-E211 PolarHBondContact NZ-OE1 2.9Å; K137-E211 IonicContact NZ-OE2 2.95Å; K137-E211 PolarHBondContact NZ-OE2 3.33Å; K170-E211 WeakPolarHBondContact CE-OE2 3.48Å; K170-E211 IonicContact NZ-OE2 3.42Å; E211-Q213 PolarHBondContact O-N 3.45Å; E211-Q213 PolarHBondContact O-NE2 3.28Å
212L95.4Very high95.9Very high9 Ų940.3 Ų40.35%0.04721%0.207CC..PPolyproline II helixtrans-66.1126.6175.5173.558.3000110.2C113 P116 L134 V135 M210 W216C113-L212 HydrophobicContact CB-CD2 3.84Å; P116-L212 HydrophobicContact CG-CD1 3.76Å; L134-L212 HydrophobicContact CD1-CB 4.04Å; L134-L212 HydrophobicContact CD2-CB 3.92Å; L134-L212 HydrophobicContact CD2-CD1 4.1Å; L134-L212 HydrophobicContact CD2-CD2 3.99Å; L134-L212 HydrophobicContact CD2-CG 4.22Å; L134-L212 HydrophobicContact CG-CB 3.9Å; V135-L212 WeakPolarHBondContact O-CB 3.45Å; V135-L212 PolarHBondContact O-N 2.82Å; M210-L212 PolarHBondContact O-N 2.99Å; L212-W216 HydrophobicContact CD2-CB 3.73Å; L212-W216 HydrophobicContact CD2-CG 4.21Å
213Q91.3Very high95.9Very high141 Ų14146.4 Ų46.466%0.65923%0.233SC*.PPolyproline II helixtrans-89.5136.3168.2-57-56-5400109.6E211E211-Q213 PolarHBondContact O-N 3.45Å; E211-Q213 PolarHBondContact O-NE2 3.28Å
214G90.7Very high95.9Very high58 Ų5839 Ų3960%0.59820%0.202SC*.SBendtrans96.2-155.2-178.700000112.7
215F94.8Very high95.9Very high21 Ų2134.2 Ų34.29%0.09218%0.18CC..  trans-91.4156.5-173.783.2-80.5000112.2I112 C113 D114 L231 F232 S235I112-F215 HydrophobicContact CG2-CE2 3.83Å; I112-F215 HydrophobicContact CG2-CZ 3.88Å; C113-F215 WeakPolarHBondContact CA-O 3.3Å; C113-F215 WeakPolarHBondContact CB-O 3.2Å; D114-F215 WeakPolarHBondContact OD1-CE1 3.27Å; F215-L231 HydrophobicContact CB-CB 3.96Å; F215-L231 HydrophobicContact CB-CD1 4.43Å; F215-L231 HydrophobicContact CB-CD2 4.37Å; F215-L231 HydrophobicContact CB-CG 4.49Å; F215-L231 HydrophobicContact CD2-CB 3.48Å; F215-L231 VanDerWaalsContact CD2-CB 3.48Å; F215-L231 HydrophobicContact CD2-CD1 4.3Å; F215-L231 HydrophobicContact CD2-CG 4.5Å; F215-L231 HydrophobicContact CE2-CB 4.21Å; F215-L231 HydrophobicContact CG-CB 3.83Å; F215-F232 HydrophobicContact CE2-CB 4.27Å; F215-F232 HydrophobicContact CZ-CB 4.03Å; F215-F232 AromaticContact CZ-CD2 3.93Å; F215-F232 HydrophobicContact CZ-CD2 3.93Å; F215-F232 HydrophobicContact CZ-CG 4.47Å; F215-S235 VanDerWaalsContact CE1-CB 3.48Å
216W96.3Very high96Very high27 Ų2733.7 Ų33.710%0.10217%0.174CC..EExtended strand (participates in β ladder)trans-143.6141173.2176.589.6000109.3V111 T136 V138 Y144 I171 A173 L212 D218V111-W216 HydrophobicContact CG2-CZ2 4.4Å; T136-W216 HydrophobicContact CG2-CB 4.1Å; T136-W216 HydrophobicContact CG2-CD2 3.67Å; T136-W216 HydrophobicContact CG2-CE3 3.82Å; T136-W216 HydrophobicContact CG2-CG 3.8Å; T136-W216 HydrophobicContact CG2-CZ3 4.48Å; V138-W216 HydrophobicContact CG1-CZ3 4.45Å; Y144-W216 HydrophobicContact CD1-CH2 4.32Å; Y144-W216 AromaticContact CE1-CH2 3.72Å; Y144-W216 HydrophobicContact CE1-CH2 3.72Å; Y144-W216 AromaticContact CZ-CH2 3.96Å; I171-W216 HydrophobicContact CD1-CH2 3.8Å; I171-W216 HydrophobicContact CD1-CZ2 4.39Å; I171-W216 HydrophobicContact CD1-CZ3 3.89Å; A173-W216 PolarHBondContact O-NE1 3.41Å; L212-W216 HydrophobicContact CD2-CB 3.73Å; L212-W216 HydrophobicContact CD2-CG 4.21Å; W216-D218 HydrophobicContact CH2-CB 3.91Å; W216-D218 HydrophobicContact CZ2-CB 4.22Å
217M96Very high96Very high24 Ų2434 Ų3412%0.11818%0.179CC..EExtended strand (participates in β ladder)trans-150.3131.6171.8-159.871-167.800112V111 I112 I219 D224 T227 L231V111-M217 WeakPolarHBondContact CA-O 3.42Å; I112-M217 PolarHBondContact N-O 3.28Å; I112-M217 PolarHBondContact O-N 3.03Å; M217-I219 HydrophobicContact CB-CG2 4.16Å; M217-I219 HydrophobicContact CG-CG2 3.95Å; M217-D224 HydrophobicContact CE-CB 3.33Å; M217-D224 VanDerWaalsContact CE-CG 3.44Å; M217-D224 WeakPolarHBondContact CE-OD1 3.23Å; M217-T227 HydrophobicContact CE-CG2 3.95Å; M217-T227 HydrophobicContact SD-CG2 3.95Å; M217-L231 HydrophobicContact CB-CD1 4.48Å; M217-L231 HydrophobicContact SD-CD1 4.19Å
218D93.9Very high96Very high20 Ų2034 Ų3411%0.10718%0.179CC..EExtended strand (participates in β ladder)trans-79.2111.1158169.41.6000108.2R13 W216 G220 D224R13-D218 IonicContact NH2-OD2 3.48Å; W216-D218 HydrophobicContact CH2-CB 3.91Å; W216-D218 HydrophobicContact CZ2-CB 4.22Å; D218-G220 VanDerWaalsContact C-N 3.27Å; D218-G220 PolarHBondContact O-N 2.81Å; D218-G220 WeakPolarHBondContact OD1-CA 3.22Å; D218-G220 PolarHBondContact OD1-N 2.96Å; D218-D224 VanDerWaalsContact O-CB 3.27Å; D218-D224 WeakPolarHBondContact O-CB 3.16Å
219I95.3Very high96Very high0 Ų032.6 Ų32.60%017%0.173CC..  trans-9533.4-177.755.8163.1000112.3F28 I33 D110 I112 M217 Q221 F225F28-I219 HydrophobicContact CB-CD1 4.38Å; F28-I219 HydrophobicContact CD2-CD1 3.74Å; F28-I219 HydrophobicContact CD2-CG2 4.49Å; F28-I219 HydrophobicContact CE2-CD1 4.21Å; F28-I219 HydrophobicContact CE2-CG2 3.95Å; F28-I219 HydrophobicContact CG-CD1 4.06Å; I33-I219 HydrophobicContact CB-CD1 4.48Å; I33-I219 HydrophobicContact CD1-CD1 3.48Å; I33-I219 VanDerWaalsContact CD1-CD1 3.48Å; I33-I219 HydrophobicContact CD1-CG1 4.36Å; I33-I219 HydrophobicContact CG1-CD1 3.58Å; I33-I219 HydrophobicContact CG2-CD1 4.08Å; D110-I219 WeakPolarHBondContact O-CG1 3.34Å; D110-I219 PolarHBondContact O-N 3.09Å; I112-I219 HydrophobicContact CD1-CD1 4.25Å; I112-I219 HydrophobicContact CG1-CD1 3.49Å; I112-I219 VanDerWaalsContact CG1-CD1 3.49Å; I112-I219 HydrophobicContact CG1-CG1 4.06Å; I112-I219 HydrophobicContact CG1-CG2 4.47Å; M217-I219 HydrophobicContact CB-CG2 4.16Å; M217-I219 HydrophobicContact CG-CG2 3.95Å; I219-Q221 VanDerWaalsContact C-N 3.29Å; I219-Q221 PolarHBondContact O-N 2.95Å; I219-F225 HydrophobicContact CB-CD2 4.35Å; I219-F225 HydrophobicContact CD1-CD2 4.44Å
220G92.8Very high96Very high1 Ų133.2 Ų33.21%0.0118%0.177CC..SBendtrans-73.3-7.7-17700000116.7R13 L14 D218R13-G220 CarbonylContact C-O 3.56Å; R13-G220 VanDerWaalsContact CB-O 3.22Å; R13-G220 WeakPolarHBondContact CB-O 3.28Å; L14-G220 PolarHBondContact N-O 2.85Å; D218-G220 VanDerWaalsContact C-N 3.27Å; D218-G220 PolarHBondContact O-N 2.81Å; D218-G220 WeakPolarHBondContact OD1-CA 3.22Å; D218-G220 PolarHBondContact OD1-N 2.96Å
221Q95Very high96Very high64 Ų6435 Ų3530%0.29919%0.186SC..SBendtrans-145.9157.6178.862-178.26.100111.9R13 I219 K223 D224 F225R13-Q221 HydrophobicContact CB-CB 4.29Å; I219-Q221 VanDerWaalsContact C-N 3.29Å; I219-Q221 PolarHBondContact O-N 2.95Å; Q221-K223 PolarHBondContact O-N 3.03Å; Q221-D224 VanDerWaalsContact CD-OD2 3.28Å; Q221-D224 HydrophobicContact CG-CB 3.88Å; Q221-D224 WeakPolarHBondContact CG-OD2 3.15Å; Q221-D224 PolarHBondContact NE2-OD2 3.26Å; Q221-D224 PolarHBondContact O-N 2.89Å; Q221-F225 WeakPolarHBondContact O-CB 3.18Å; Q221-F225 PolarHBondContact O-N 3.04Å
222P97.5Very high96.1Very high20 Ų2032.7 Ų32.713%0.1318%0.175CC..Hα-helixtrans-56.9-42.3-170.4-31.537.5000116R13 L14 D224 F225 L226 I307 V323 V325R13-P222 VanDerWaalsContact O-CD 3.24Å; R13-P222 WeakPolarHBondContact O-CD 3.19Å; L14-P222 HydrophobicContact CD1-CG 4.45Å; P222-D224 VanDerWaalsContact C-N 3.27Å; P222-D224 PolarHBondContact O-N 3.27Å; P222-F225 WeakPolarHBondContact O-CB 3.25Å; P222-F225 PolarHBondContact O-N 3.49Å; P222-L226 PolarHBondContact O-N 2.97Å; P222-I307 HydrophobicContact CB-CD1 3.89Å; P222-V323 HydrophobicContact CB-CG1 3.74Å; P222-V325 HydrophobicContact CB-CG2 3.58Å; P222-V325 HydrophobicContact CG-CG2 3.87Å
223K96.9Very high96.3Very high131 Ų13132.2 Ų32.257%0.5717%0.173SC*.Hα-helixtrans-58.9-44.7177.6-179179.9177.5-179.30110.9Q221 L226 T227 V323Q221-K223 PolarHBondContact O-N 3.03Å; K223-L226 PolarHBondContact O-N 2.92Å; K223-T227 PolarHBondContact O-N 2.77Å; K223-T227 VanDerWaalsContact O-N 3.12Å; K223-T227 PolarHBondContact O-OG1 2.89Å; K223-V323 HydrophobicContact CB-CG1 4.5Å
224D96.3Very high96.6Very high24 Ų2429.4 Ų29.413%0.12816%0.16CC..Hα-helixtrans-75.7-33.5-177.5-67.2-17.3000111.8M217 D218 Q221 P222 L226 T227 G228M217-D224 HydrophobicContact CE-CB 3.33Å; M217-D224 VanDerWaalsContact CE-CG 3.44Å; M217-D224 WeakPolarHBondContact CE-OD1 3.23Å; D218-D224 VanDerWaalsContact O-CB 3.27Å; D218-D224 WeakPolarHBondContact O-CB 3.16Å; Q221-D224 VanDerWaalsContact CD-OD2 3.28Å; Q221-D224 HydrophobicContact CG-CB 3.88Å; Q221-D224 WeakPolarHBondContact CG-OD2 3.15Å; Q221-D224 PolarHBondContact NE2-OD2 3.26Å; Q221-D224 PolarHBondContact O-N 2.89Å; P222-D224 VanDerWaalsContact C-N 3.27Å; P222-D224 PolarHBondContact O-N 3.27Å; D224-L226 VanDerWaalsContact C-N 3.35Å; D224-L226 PolarHBondContact O-N 2.84Å; D224-T227 PolarHBondContact O-N 3.35Å; D224-G228 PolarHBondContact O-N 3.35Å
225F98.3Very high96.9Very high0 Ų027 Ų270%013%0.134CC..Hα-helixtrans-56.3-48.2170.3-170.4-74.3000111.2L14 V26 D27 F28 I33 I219 Q221 P222 G228 M229 T290 I307L14-F225 HydrophobicContact CD1-CB 4.23Å; L14-F225 HydrophobicContact CD1-CD2 3.99Å; L14-F225 HydrophobicContact CD1-CG 4.43Å; L14-F225 HydrophobicContact CD2-CD2 4.35Å; V26-F225 HydrophobicContact CG1-CE2 4.04Å; V26-F225 HydrophobicContact CG1-CZ 4.47Å; D27-F225 WeakPolarHBondContact O-CZ 3.38Å; F28-F225 HydrophobicContact CB-CE2 4.15Å; F28-F225 HydrophobicContact CB-CZ 3.96Å; F28-F225 HydrophobicContact CD2-CD1 4.21Å; F28-F225 HydrophobicContact CD2-CD2 4.08Å; F28-F225 AromaticContact CD2-CE1 3.79Å; F28-F225 HydrophobicContact CD2-CE1 3.79Å; F28-F225 AromaticContact CD2-CE2 3.71Å; F28-F225 HydrophobicContact CD2-CE2 3.71Å; F28-F225 HydrophobicContact CD2-CG 4.33Å; F28-F225 AromaticContact CD2-CZ 3.56Å; F28-F225 HydrophobicContact CD2-CZ 3.56Å; F28-F225 HydrophobicContact CE2-CD1 4.49Å; F28-F225 HydrophobicContact CE2-CE1 4.41Å; F28-F225 HydrophobicContact CG-CE2 4.43Å; F28-F225 HydrophobicContact CG-CZ 4.22Å; I33-F225 HydrophobicContact CD1-CE2 4.34Å; I219-F225 HydrophobicContact CB-CD2 4.35Å; I219-F225 HydrophobicContact CD1-CD2 4.44Å; Q221-F225 WeakPolarHBondContact O-CB 3.18Å; Q221-F225 PolarHBondContact O-N 3.04Å; P222-F225 WeakPolarHBondContact O-CB 3.25Å; P222-F225 PolarHBondContact O-N 3.49Å; F225-G228 PolarHBondContact O-N 2.93Å; F225-M229 WeakPolarHBondContact O-CB 3.49Å; F225-M229 PolarHBondContact O-N 3.46Å; F225-T290 HydrophobicContact CD1-CG2 4.35Å; F225-T290 HydrophobicContact CE1-CG2 3.8Å; F225-I307 HydrophobicContact CB-CD1 4.25Å; F225-I307 HydrophobicContact CD1-CD1 3.97Å; F225-I307 HydrophobicContact CG-CD1 4.23Å
226L98.6Very high97Very high0 Ų026.4 Ų26.40%013%0.132CC..Hα-helixtrans-65.5-39.9176.8-70.4175000112.4P222 K223 D224 M229 C230 S305 I307 V323P222-L226 PolarHBondContact O-N 2.97Å; K223-L226 PolarHBondContact O-N 2.92Å; D224-L226 VanDerWaalsContact C-N 3.35Å; D224-L226 PolarHBondContact O-N 2.84Å; L226-M229 HydrophobicContact CD2-CE 4.12Å; L226-M229 WeakPolarHBondContact O-CB 3.43Å; L226-M229 PolarHBondContact O-N 2.83Å; L226-C230 PolarHBondContact O-N 3.35Å; L226-C230 PolarHBondContact O-SG 3.37Å; L226-S305 WeakPolarHBondContact CD1-O 3.43Å; L226-I307 HydrophobicContact CD1-CG1 4.33Å; L226-I307 HydrophobicContact CD2-CD1 4.47Å; L226-I307 HydrophobicContact CD2-CG1 3.74Å; L226-I307 HydrophobicContact CG-CD1 4.24Å; L226-I307 HydrophobicContact CG-CG1 3.92Å; L226-V323 HydrophobicContact CD1-CG1 4.28Å; L226-V323 HydrophobicContact CD1-CG2 4.46Å
227T98.1Very high97Very high45 Ų4529 Ų2928%0.27614%0.141SC..Hα-helixtrans-64.6-45.4175.5-620000111.4M217 K223 D224 M229 C230 L231 R288M217-T227 HydrophobicContact CE-CG2 3.95Å; M217-T227 HydrophobicContact SD-CG2 3.95Å; K223-T227 PolarHBondContact O-N 2.77Å; K223-T227 VanDerWaalsContact O-N 3.12Å; K223-T227 PolarHBondContact O-OG1 2.89Å; D224-T227 PolarHBondContact O-N 3.35Å; T227-M229 VanDerWaalsContact C-N 3.3Å; T227-M229 PolarHBondContact O-N 3.47Å; T227-C230 WeakPolarHBondContact O-CB 3.3Å; T227-C230 PolarHBondContact O-N 2.91Å; T227-C230 VanDerWaalsContact O-N 3.16Å; T227-L231 HydrophobicContact CG2-CD1 4.2Å; T227-L231 WeakPolarHBondContact O-CG 3.38Å; T227-L231 PolarHBondContact O-N 2.79Å; T227-R288 PolarHBondContact OG1-NH2 3.31Å; T227-R288 VanDerWaalsContact OG1-NH2 3.16Å
228G98.1Very high97Very high0 Ų034.5 Ų34.50%017%0.167CC..Hα-helixtrans-58.1-42.8174.700000111.5F28 D224 F225 C230 L231 F232F28-G228 VanDerWaalsContact CZ-C 3.43Å; D224-G228 PolarHBondContact O-N 3.35Å; F225-G228 PolarHBondContact O-N 2.93Å; G228-C230 PolarHBondContact O-N 3.1Å; G228-L231 PolarHBondContact O-N 3.45Å; G228-F232 VanDerWaalsContact O-CB 3.3Å; G228-F232 WeakPolarHBondContact O-CB 3.41Å; G228-F232 PolarHBondContact O-N 2.88Å
229M98.6Very high97Very high0 Ų039.2 Ų39.20%019%0.187CC..Hα-helixtrans-58.5-48.2174.7177.4-163.668.300110.9F28 F225 L226 T227 L231 F232 L233 N271 C289F28-M229 HydrophobicContact CE2-CB 4.15Å; F28-M229 HydrophobicContact CZ-CB 4.33Å; F225-M229 WeakPolarHBondContact O-CB 3.49Å; F225-M229 PolarHBondContact O-N 3.46Å; L226-M229 HydrophobicContact CD2-CE 4.12Å; L226-M229 WeakPolarHBondContact O-CB 3.43Å; L226-M229 PolarHBondContact O-N 2.83Å; T227-M229 VanDerWaalsContact C-N 3.3Å; T227-M229 PolarHBondContact O-N 3.47Å; M229-L231 VanDerWaalsContact C-N 3.34Å; M229-L231 PolarHBondContact O-N 2.88Å; M229-F232 PolarHBondContact O-N 2.95Å; M229-L233 HydrophobicContact CG-CD1 4.02Å; M229-L233 HydrophobicContact CG-CG 4.35Å; M229-L233 WeakPolarHBondContact O-CB 3.28Å; M229-L233 VanDerWaalsContact O-CG 3.24Å; M229-L233 WeakPolarHBondContact O-CG 3.19Å; M229-L233 PolarHBondContact O-N 3.09Å; M229-N271 HydrophobicContact CE-CB 4.5Å; M229-N271 WeakPolarHBondContact CE-O 3.48Å; M229-C289 VanDerWaalsContact SD-O 3.39Å
230C98.6Very high97.1Very high20 Ų2043 Ų4314%0.13520%0.204CC..Hα-helixtrans-57.5-46.5176.3-64.40000112.2L226 T227 G228 L233 Q234 N271L226-C230 PolarHBondContact O-N 3.35Å; L226-C230 PolarHBondContact O-SG 3.37Å; T227-C230 WeakPolarHBondContact O-CB 3.3Å; T227-C230 PolarHBondContact O-N 2.91Å; T227-C230 VanDerWaalsContact O-N 3.16Å; G228-C230 PolarHBondContact O-N 3.1Å; C230-L233 PolarHBondContact O-N 3.34Å; C230-Q234 WeakPolarHBondContact O-CB 3.5Å; C230-Q234 PolarHBondContact O-N 3.4Å; C230-N271 HydrophobicContact CB-CB 4.29Å; C230-N271 VanDerWaalsContact SG-CB 3.51Å
231L98.1Very high97.3Very high63 Ų6345.8 Ų45.833%0.3322%0.222SC..Hα-helixtrans-64.6-42.1179.8-68.3171.9000111.9F215 M217 T227 G228 M229 Q234 S235F215-L231 HydrophobicContact CB-CB 3.96Å; F215-L231 HydrophobicContact CB-CD1 4.43Å; F215-L231 HydrophobicContact CB-CD2 4.37Å; F215-L231 HydrophobicContact CB-CG 4.49Å; F215-L231 HydrophobicContact CD2-CB 3.48Å; F215-L231 VanDerWaalsContact CD2-CB 3.48Å; F215-L231 HydrophobicContact CD2-CD1 4.3Å; F215-L231 HydrophobicContact CD2-CG 4.5Å; F215-L231 HydrophobicContact CE2-CB 4.21Å; F215-L231 HydrophobicContact CG-CB 3.83Å; M217-L231 HydrophobicContact CB-CD1 4.48Å; M217-L231 HydrophobicContact SD-CD1 4.19Å; T227-L231 HydrophobicContact CG2-CD1 4.2Å; T227-L231 WeakPolarHBondContact O-CG 3.38Å; T227-L231 PolarHBondContact O-N 2.79Å; G228-L231 PolarHBondContact O-N 3.45Å; M229-L231 VanDerWaalsContact C-N 3.34Å; M229-L231 PolarHBondContact O-N 2.88Å; L231-Q234 PolarHBondContact O-N 3.29Å; L231-S235 PolarHBondContact O-N 3.23Å
232F98.3Very high97.3Very high18 Ų1849.3 Ų49.38%0.07924%0.239CC..Hα-helixtrans-62.5-48176.1179.2-94.1000111.5F28 C29 H36 I112 F215 G228 M229 Q234 S235 L236F28-F232 HydrophobicContact CE1-CB 3.9Å; F28-F232 HydrophobicContact CE1-CD1 4.37Å; F28-F232 HydrophobicContact CE1-CD2 4.18Å; F28-F232 AromaticContact CE1-CG 3.9Å; F28-F232 HydrophobicContact CE1-CG 3.9Å; F28-F232 HydrophobicContact CZ-CB 4.07Å; C29-F232 HydrophobicContact CB-CD1 3.66Å; C29-F232 HydrophobicContact CB-CE1 3.53Å; C29-F232 HydrophobicContact CB-CZ 4.43Å; C29-F232 WeakPolarHBondContact SG-CD1 3.1Å; H36-F232 AromaticContact CE1-CZ 3.93Å; I112-F232 HydrophobicContact CG2-CD2 4.06Å; F215-F232 HydrophobicContact CE2-CB 4.27Å; F215-F232 HydrophobicContact CZ-CB 4.03Å; F215-F232 AromaticContact CZ-CD2 3.93Å; F215-F232 HydrophobicContact CZ-CD2 3.93Å; F215-F232 HydrophobicContact CZ-CG 4.47Å; G228-F232 VanDerWaalsContact O-CB 3.3Å; G228-F232 WeakPolarHBondContact O-CB 3.41Å; G228-F232 PolarHBondContact O-N 2.88Å; M229-F232 PolarHBondContact O-N 2.95Å; F232-Q234 VanDerWaalsContact C-N 3.27Å; F232-Q234 PolarHBondContact O-N 3.34Å; F232-S235 WeakPolarHBondContact O-CB 3.42Å; F232-S235 PolarHBondContact O-N 2.67Å; F232-S235 VanDerWaalsContact O-N 3.13Å; F232-L236 HydrophobicContact CD1-CD1 4.05Å; F232-L236 HydrophobicContact CD1-CG 4.18Å; F232-L236 HydrophobicContact CE1-CD1 3.51Å; F232-L236 HydrophobicContact CE1-CD2 4.27Å; F232-L236 HydrophobicContact CE1-CG 3.84Å; F232-L236 HydrophobicContact CZ-CD1 4.19Å; F232-L236 HydrophobicContact CZ-CD2 4.16Å; F232-L236 HydrophobicContact CZ-CG 4.22Å; F232-L236 PolarHBondContact O-N 2.82Å
233L98.3Very high97.3Very high0 Ų052.9 Ų52.90%025%0.249CC..Hα-helixtrans-62.7-34.9177.1-67.8179.5000112.1M229 C230 L236 R237 L244 N253 L255 N271M229-L233 HydrophobicContact CG-CD1 4.02Å; M229-L233 HydrophobicContact CG-CG 4.35Å; M229-L233 WeakPolarHBondContact O-CB 3.28Å; M229-L233 VanDerWaalsContact O-CG 3.24Å; M229-L233 WeakPolarHBondContact O-CG 3.19Å; M229-L233 PolarHBondContact O-N 3.09Å; C230-L233 PolarHBondContact O-N 3.34Å; L233-L236 HydrophobicContact CD2-CD1 4.33Å; L233-L236 PolarHBondContact O-N 3.2Å; L233-R237 PolarHBondContact O-N 3.26Å; L233-L244 HydrophobicContact CD2-CD2 4Å; L233-N253 HydrophobicContact CB-CB 3.94Å; L233-L255 HydrophobicContact CD2-CB 3.61Å; L233-L255 HydrophobicContact CD2-CD2 4.34Å; L233-N271 HydrophobicContact CD1-CB 4.36Å
234Q98.1Very high97.3Very high81 Ų8147 Ų4738%0.37922%0.224SC..Hα-helixtrans-67.1-41172.6-178.359.427.800112.2C230 L231 F232 L236 R237 Q238 N253C230-Q234 WeakPolarHBondContact O-CB 3.5Å; C230-Q234 PolarHBondContact O-N 3.4Å; L231-Q234 PolarHBondContact O-N 3.29Å; F232-Q234 VanDerWaalsContact C-N 3.27Å; F232-Q234 PolarHBondContact O-N 3.34Å; Q234-L236 VanDerWaalsContact C-N 3.34Å; Q234-R237 WeakPolarHBondContact O-CB 3.41Å; Q234-R237 PolarHBondContact O-N 3.23Å; Q234-Q238 WeakPolarHBondContact O-CG 3.07Å; Q234-Q238 PolarHBondContact O-N 3.29Å; Q234-N253 PolarHBondContact OE1-ND2 3.49Å
235S96.9Very high97.4Very high9 Ų950.5 Ų50.56%0.06324%0.236CC..Hα-helixtrans-62.1-42.3173-177.40000111.2D114 F215 L231 F232 R237 Q238 K239D114-S235 PolarHBondContact OD1-OG 3.42Å; F215-S235 VanDerWaalsContact CE1-CB 3.48Å; L231-S235 PolarHBondContact O-N 3.23Å; F232-S235 WeakPolarHBondContact O-CB 3.42Å; F232-S235 PolarHBondContact O-N 2.67Å; F232-S235 VanDerWaalsContact O-N 3.13Å; S235-R237 VanDerWaalsContact C-N 3.33Å; S235-R237 PolarHBondContact O-N 2.86Å; S235-Q238 PolarHBondContact O-N 2.77Å; S235-Q238 VanDerWaalsContact O-N 3.09Å; S235-K239 PolarHBondContact O-N 2.86Å
236L96.5Very high97.3Very high8 Ų855 Ų554%0.04227%0.267CS..Hα-helixtrans-58.5-44173.1-69.9-171.7000111.8F232 L233 Q234 Q238 K239 Q240 P241 R243 L244F232-L236 HydrophobicContact CD1-CD1 4.05Å; F232-L236 HydrophobicContact CD1-CG 4.18Å; F232-L236 HydrophobicContact CE1-CD1 3.51Å; F232-L236 HydrophobicContact CE1-CD2 4.27Å; F232-L236 HydrophobicContact CE1-CG 3.84Å; F232-L236 HydrophobicContact CZ-CD1 4.19Å; F232-L236 HydrophobicContact CZ-CD2 4.16Å; F232-L236 HydrophobicContact CZ-CG 4.22Å; F232-L236 PolarHBondContact O-N 2.82Å; L233-L236 HydrophobicContact CD2-CD1 4.33Å; L233-L236 PolarHBondContact O-N 3.2Å; Q234-L236 VanDerWaalsContact C-N 3.34Å; L236-Q238 PolarHBondContact O-N 2.85Å; L236-K239 PolarHBondContact O-N 3.09Å; L236-Q240 HydrophobicContact CD2-CB 4.38Å; L236-Q240 CarbonylContact O-C 3.53Å; L236-Q240 WeakPolarHBondContact O-CA 3.14Å; L236-Q240 PolarHBondContact O-N 3.16Å; L236-P241 VanDerWaalsContact O-N 3.12Å; L236-R243 VanDerWaalsContact CD2-NH1 3.35Å; L236-L244 HydrophobicContact CB-CD1 4.44Å; L236-L244 HydrophobicContact CB-CD2 4.23Å; L236-L244 HydrophobicContact CB-CG 4.31Å; L236-L244 HydrophobicContact CD1-CD2 4.26Å
237R97.1Very high97.1Very high81 Ų8156.5 Ų56.531%0.30628%0.284SS..Hα-helixtrans-56.4-35.9176.4178.261.269.7-153.36.7112.4L233 Q234 S235 L244 G252 N253L233-R237 PolarHBondContact O-N 3.26Å; Q234-R237 WeakPolarHBondContact O-CB 3.41Å; Q234-R237 PolarHBondContact O-N 3.23Å; S235-R237 VanDerWaalsContact C-N 3.33Å; S235-R237 PolarHBondContact O-N 2.86Å; R237-L244 HydrophobicContact CB-CD1 3.68Å; R237-L244 HydrophobicContact CG-CD1 4.47Å; R237-G252 PolarHBondContact NH2-O 2.98Å; R237-N253 PolarHBondContact NE-OD1 2.86Å; R237-N253 PolarHBondContact NH2-OD1 2.92Å
238Q96.2Very high96.9Very high139 Ų13960.5 Ų60.565%0.6531%0.31SS*.Hα-helixtrans-80.7-36.7-178.4-69173-11.300113.1Q234 S235 L236Q234-Q238 WeakPolarHBondContact O-CG 3.07Å; Q234-Q238 PolarHBondContact O-N 3.29Å; S235-Q238 PolarHBondContact O-N 2.77Å; S235-Q238 VanDerWaalsContact O-N 3.09Å; L236-Q238 PolarHBondContact O-N 2.85Å
239K94.8Very high96.8Very high120 Ų12062.1 Ų62.152%0.52233%0.327SS..Hα-helixtrans-106.9-34-169.6-62.5-177.7-176.3176.80114.6D114 S235 L236D114-K239 IonicContact OD1-NZ 2.72Å; D114-K239 PolarHBondContact OD1-NZ 3Å; D114-K239 IonicContact OD2-NZ 2.67Å; D114-K239 PolarHBondContact OD2-NZ 3.07Å; S235-K239 PolarHBondContact O-N 2.86Å; L236-K239 PolarHBondContact O-N 3.09Å
240Q95.7Very high96.8Very high79 Ų7963.7 Ų63.737%0.36934%0.335SS..  trans-143.957.2-172.6-66.8-176.2-30.700110.4L236 E242 R243L236-Q240 HydrophobicContact CD2-CB 4.38Å; L236-Q240 CarbonylContact O-C 3.53Å; L236-Q240 WeakPolarHBondContact O-CA 3.14Å; L236-Q240 PolarHBondContact O-N 3.16Å; Q240-E242 WeakPolarHBondContact CA-OE1 3.42Å; Q240-E242 VanDerWaalsContact CA-OE2 3.27Å; Q240-E242 WeakPolarHBondContact CA-OE2 3.43Å; Q240-E242 VanDerWaalsContact CB-OE1 3.31Å; Q240-E242 WeakPolarHBondContact CB-OE1 3.42Å; Q240-E242 PolarHBondContact O-N 3.42Å; Q240-E242 VanDerWaalsContact O-N 3.13Å; Q240-R243 HydrophobicContact CB-CG 4.11Å; Q240-R243 WeakPolarHBondContact O-CB 3.11Å; Q240-R243 PolarHBondContact O-N 3.39Å
241P96.9Very high96.7Very high60 Ų6066 Ų6639%0.3935%0.348SS..G310 helixtrans-59.4-24.9-17524.7-34.9000113.3L236 R243 L244L236-P241 VanDerWaalsContact O-N 3.12Å; P241-R243 PolarHBondContact O-N 2.9Å; P241-L244 WeakPolarHBondContact O-CB 3.46Å; P241-L244 PolarHBondContact O-N 3.41Å; P241-L244 VanDerWaalsContact O-N 3.11Å
242E96.6Very high96.7Very high138 Ų13865 Ų6565%0.64535%0.354SS*.G310 helixtrans-63.8-21.3176.471.8-70.7164.700113.8Q240 L244Q240-E242 WeakPolarHBondContact CA-OE1 3.42Å; Q240-E242 VanDerWaalsContact CA-OE2 3.27Å; Q240-E242 WeakPolarHBondContact CA-OE2 3.43Å; Q240-E242 VanDerWaalsContact CB-OE1 3.31Å; Q240-E242 WeakPolarHBondContact CB-OE1 3.42Å; Q240-E242 PolarHBondContact O-N 3.42Å; Q240-E242 VanDerWaalsContact O-N 3.13Å; E242-L244 VanDerWaalsContact C-N 3.29Å
243R96.4Very high96.7Very high94 Ų9464.9 Ų64.936%0.35535%0.354SS..G310 helixtrans-78-16.1174.9-66.3-179.461.9-164.4-5.6112.9L236 Q240 P241 L255L236-R243 VanDerWaalsContact CD2-NH1 3.35Å; Q240-R243 HydrophobicContact CB-CG 4.11Å; Q240-R243 WeakPolarHBondContact O-CB 3.11Å; Q240-R243 PolarHBondContact O-N 3.39Å; P241-R243 PolarHBondContact O-N 2.9Å; R243-L255 WeakPolarHBondContact O-CD1 3.28Å
244L98Very high96.7Very high8 Ų864.9 Ų64.94%0.04235%0.354CS..SBendtrans-85.1131.8178.8-64174.8000109.6L233 L236 R237 P241 E242 N253 V254L233-L244 HydrophobicContact CD2-CD2 4Å; L236-L244 HydrophobicContact CB-CD1 4.44Å; L236-L244 HydrophobicContact CB-CD2 4.23Å; L236-L244 HydrophobicContact CB-CG 4.31Å; L236-L244 HydrophobicContact CD1-CD2 4.26Å; R237-L244 HydrophobicContact CB-CD1 3.68Å; R237-L244 HydrophobicContact CG-CD1 4.47Å; P241-L244 WeakPolarHBondContact O-CB 3.46Å; P241-L244 PolarHBondContact O-N 3.41Å; P241-L244 VanDerWaalsContact O-N 3.11Å; E242-L244 VanDerWaalsContact C-N 3.29Å; L244-N253 HydrophobicContact CD1-CB 4.27Å; L244-V254 CarbonylContact C-O 3.53Å; L244-V254 WeakPolarHBondContact CA-O 3.49Å
245Y97.7Very high96.7Very high98 Ų9861.6 Ų61.638%0.38434%0.339SS..  trans-68.8140.5-179.6-175.1-100.5000110.4I250 V254 V256 I262Y245-I250 HydrophobicContact CD1-CD1 3.7Å; Y245-I250 HydrophobicContact CD1-CG1 3.62Å; Y245-I250 HydrophobicContact CE1-CD1 3.78Å; Y245-I250 HydrophobicContact CE1-CG1 3.66Å; Y245-V254 PolarHBondContact N-O 3.06Å; Y245-V256 HydrophobicContact CD1-CB 4.37Å; Y245-V256 HydrophobicContact CD1-CG2 3.72Å; Y245-V256 HydrophobicContact CD2-CB 4.03Å; Y245-V256 HydrophobicContact CD2-CG2 4.28Å; Y245-V256 HydrophobicContact CG-CB 3.8Å; Y245-V256 HydrophobicContact CG-CG2 3.58Å; Y245-I262 HydrophobicContact CE1-CD1 4.18Å
246S95.1Very high96.8Very high93 Ų9362.1 Ų62.165%0.6534%0.342SS*.  trans-131.2135175.2-61.20000108.5
247G94.5Very high96.9Very high33 Ų3363.4 Ų63.434%0.3435%0.348SS..  trans177.7177.9-178.300000112G249 I250G247-G249 PolarHBondContact O-N 2.75Å; G247-I250 WeakPolarHBondContact O-CB 3.2Å; G247-I250 WeakPolarHBondContact O-CG1 3.39Å; G247-I250 PolarHBondContact O-N 3.12Å
248P95Very high96.9Very high128 Ų12865.8 Ų65.883%0.83137%0.374SS*.THydrogen-bonded Turntrans-55.4135.1175.6-23.233.8000111.2I250P248-I250 PolarHBondContact O-N 3.47Å
249G96.2Very high97Very high35 Ų3562 Ų6236%0.36136%0.363SS..THydrogen-bonded Turntrans76.91.1177.600000115.6G247 C266 S267 I268G247-G249 PolarHBondContact O-N 2.75Å; G249-C266 WeakPolarHBondContact CA-O 3.38Å; G249-S267 CarbonylContact O-C 3.54Å; G249-S267 WeakPolarHBondContact O-CA 3.4Å; G249-I268 PolarHBondContact O-N 3.26Å
250I98.1Very high97.2Very high32 Ų3257 Ų5716%0.16435%0.345CS..BIsolated β-bridgetrans-87130.7178.6-54.8-57.6000110.6Y245 G247 P248 V254 I262 I268Y245-I250 HydrophobicContact CD1-CD1 3.7Å; Y245-I250 HydrophobicContact CD1-CG1 3.62Å; Y245-I250 HydrophobicContact CE1-CD1 3.78Å; Y245-I250 HydrophobicContact CE1-CG1 3.66Å; G247-I250 WeakPolarHBondContact O-CB 3.2Å; G247-I250 WeakPolarHBondContact O-CG1 3.39Å; G247-I250 PolarHBondContact O-N 3.12Å; P248-I250 PolarHBondContact O-N 3.47Å; I250-V254 HydrophobicContact CG2-CB 3.85Å; I250-V254 HydrophobicContact CG2-CG2 3.7Å; I250-I262 HydrophobicContact CD1-CD1 4.23Å; I250-I268 CarbonylContact C-O 3.59Å; I250-I268 WeakPolarHBondContact CA-O 3.32Å; I250-I268 HydrophobicContact CD1-CB 3.87Å; I250-I268 HydrophobicContact CD1-CG1 4.34Å; I250-I268 HydrophobicContact CD1-CG2 4.48Å
251V97.1Very high97.3Very high69 Ų6962.3 Ų62.342%0.41836%0.361SS..  trans-123121.5-178.8-177.40000109.8I268 G269 P270V251-I268 PolarHBondContact N-O 3.29Å; V251-G269 CarbonylContact O-C 3.5Å; V251-G269 VanDerWaalsContact O-CA 3.28Å; V251-G269 WeakPolarHBondContact O-CA 3.43Å; V251-P270 WeakPolarHBondContact O-CA 3.5Å
252G97Very high97.4Very high43 Ų4361.8 Ų61.844%0.44336%0.355SS..SBendtrans70-134.9173.600000114.4R237R237-G252 PolarHBondContact NH2-O 2.98Å
253N98.3Very high97.5Very high14 Ų1456.3 Ų56.38%0.07534%0.336CS..SBendtrans-93.6111.5-176.1-56.8-29.5000110.4L233 Q234 R237 L244 N271 V272L233-N253 HydrophobicContact CB-CB 3.94Å; Q234-N253 PolarHBondContact OE1-ND2 3.49Å; R237-N253 PolarHBondContact NE-OD1 2.86Å; R237-N253 PolarHBondContact NH2-OD1 2.92Å; L244-N253 HydrophobicContact CD1-CB 4.27Å; N253-N271 WeakPolarHBondContact O-CA 3.49Å; N253-N271 PolarHBondContact O-N 2.66Å; N253-V272 PolarHBondContact O-N 3.23Å
254V98.7Very high97.5Very high0 Ų058.4 Ų58.40%035%0.35CS..EExtended strand (participates in β ladder)trans-131.8131177.7-176.40000109.4L244 Y245 I250 V256 I268 V272L244-V254 CarbonylContact C-O 3.53Å; L244-V254 WeakPolarHBondContact CA-O 3.49Å; Y245-V254 PolarHBondContact N-O 3.06Å; I250-V254 HydrophobicContact CG2-CB 3.85Å; I250-V254 HydrophobicContact CG2-CG2 3.7Å; V254-V256 HydrophobicContact CG1-CG2 3.72Å; V254-I268 HydrophobicContact CG1-CG2 3.9Å; V254-I268 HydrophobicContact CG2-CG2 4.38Å; V254-I268 WeakPolarHBondContact CG2-O 3.44Å; V254-V272 CarbonylContact C-O 3.48Å; V254-V272 WeakPolarHBondContact CA-O 3.27Å; V254-V272 HydrophobicContact CG1-CB 4.16Å; V254-V272 HydrophobicContact CG1-CG1 4.45Å; V254-V272 HydrophobicContact CG2-CB 4.34Å
255L98.6Very high97.5Very high12 Ų1265 Ų656%0.06339%0.385CS..EExtended strand (participates in β ladder)trans-107.4126.4172.5-177.468.4000108.4C29 N30 L233 R243 V272 S273 L274C29-L255 HydrophobicContact CB-CD2 3.79Å; C29-L255 WeakPolarHBondContact O-CD2 3.4Å; N30-L255 HydrophobicContact CB-CD2 4.45Å; L233-L255 HydrophobicContact CD2-CB 3.61Å; L233-L255 HydrophobicContact CD2-CD2 4.34Å; R243-L255 WeakPolarHBondContact O-CD1 3.28Å; L255-V272 PolarHBondContact N-O 3.34Å; L255-S273 CarbonylContact O-C 2.95Å; L255-S273 WeakPolarHBondContact O-CA 3.26Å; L255-L274 PolarHBondContact O-N 2.71Å
256V98.5Very high97.6Very high21 Ų2160.8 Ų60.813%0.12737%0.369CS..EExtended strand (participates in β ladder)trans-128.5125.7-179.1-176.10000107.8Y245 V254 A260 I262 L274Y245-V256 HydrophobicContact CD1-CB 4.37Å; Y245-V256 HydrophobicContact CD1-CG2 3.72Å; Y245-V256 HydrophobicContact CD2-CB 4.03Å; Y245-V256 HydrophobicContact CD2-CG2 4.28Å; Y245-V256 HydrophobicContact CG-CB 3.8Å; Y245-V256 HydrophobicContact CG-CG2 3.58Å; V254-V256 HydrophobicContact CG1-CG2 3.72Å; V256-A260 HydrophobicContact CG1-CB 3.8Å; V256-I262 HydrophobicContact CG1-CD1 4.33Å; V256-I262 HydrophobicContact CG2-CD1 4.17Å; V256-L274 HydrophobicContact CG1-CB 4.41Å; V256-L274 HydrophobicContact CG1-CD1 4.44Å; V256-L274 HydrophobicContact CG2-CD1 4.17Å; V256-L274 HydrophobicContact CG2-CG 4.47Å
257D98.4Very high97.7Very high34 Ų3458.7 Ų58.718%0.18236%0.355CS..  trans-64.6140.5170.5-173.7-92.2000110.3N30 S259 A260 L274 P276N30-D257 PolarHBondContact ND2-N 2.84Å; D257-S259 PolarHBondContact O-N 3.38Å; D257-S259 WeakPolarHBondContact OD1-CB 3.25Å; D257-S259 PolarHBondContact OD1-N 2.99Å; D257-S259 PolarHBondContact OD1-OG 3.03Å; D257-A260 WeakPolarHBondContact O-CB 3.38Å; D257-A260 PolarHBondContact O-N 3.01Å; D257-L274 PolarHBondContact N-O 2.96Å; D257-P276 HydrophobicContact CB-CB 4.43Å; D257-P276 HydrophobicContact CB-CG 4.33Å; D257-P276 WeakPolarHBondContact OD1-CA 3.31Å
258P97.6Very high97.9Very high131 Ų13157.1 Ų57.185%0.85134%0.339SS*.THydrogen-bonded Turntrans-56.7-23.9-179.1-27.636000115.4
259S98.3Very high98.1Very high59 Ų5951.4 Ų51.441%0.41330%0.303SS..THydrogen-bonded Turntrans-85.9-11.5178.166.70000114.1D257 P276 G277D257-S259 PolarHBondContact O-N 3.38Å; D257-S259 WeakPolarHBondContact OD1-CB 3.25Å; D257-S259 PolarHBondContact OD1-N 2.99Å; D257-S259 PolarHBondContact OD1-OG 3.03Å; S259-P276 VanDerWaalsContact OG-CA 3.31Å; S259-P276 WeakPolarHBondContact OG-CA 3.4Å; S259-G277 PolarHBondContact OG-N 3.05Å
260A98.4Very high98.2Very high17 Ų1752 Ų5214%0.1430%0.3CS..  trans-72.2149.9178.300000111.5V256 D257 L274 V278V256-A260 HydrophobicContact CG1-CB 3.8Å; D257-A260 WeakPolarHBondContact O-CB 3.38Å; D257-A260 PolarHBondContact O-N 3.01Å; A260-L274 HydrophobicContact CB-CB 4.44Å; A260-V278 CarbonylContact C-O 3.6Å; A260-V278 WeakPolarHBondContact CA-O 3.41Å; A260-V278 HydrophobicContact CB-CB 4.19Å
261R98.4Very high98.2Very high189 Ų18952.1 Ų52.171%0.71330%0.301SS*.EExtended strand (participates in β ladder)trans-123.2132.2-178.8-59.2-178.1-175.6-158.4-0109.9V278 V280R261-V278 PolarHBondContact N-O 3.31Å; R261-V280 PolarHBondContact O-N 3.26Å
262I98.6Very high98.3Very high49 Ų4948.9 Ų48.925%0.25128%0.282SS..EExtended strand (participates in β ladder)trans-119.2128178.4-54.1174.6000108.2Y245 I250 V256 C266 I268 L274 V280Y245-I262 HydrophobicContact CE1-CD1 4.18Å; I250-I262 HydrophobicContact CD1-CD1 4.23Å; V256-I262 HydrophobicContact CG1-CD1 4.33Å; V256-I262 HydrophobicContact CG2-CD1 4.17Å; I262-C266 HydrophobicContact CG2-CB 3.98Å; I262-I268 HydrophobicContact CG2-CG1 4.32Å; I262-L274 HydrophobicContact CD1-CD1 3.88Å; I262-L274 HydrophobicContact CG1-CD1 4.03Å; I262-V280 CarbonylContact C-O 3.58Å
263G98.1Very high98.4Very high24 Ų2446.8 Ų46.825%0.24726%0.26CS..  trans-70-176.3176.300000113.6V280 D282G263-V280 PolarHBondContact N-O 3.45Å; G263-D282 WeakPolarHBondContact CA-OD1 3.23Å
264Q98Very high98.4Very high138 Ų13846.1 Ų46.165%0.64526%0.257SS*.THydrogen-bonded Turntrans-80.5154.5179.1-60.1-173.7-0.100111.6C266 D282 G283Q264-C266 PolarHBondContact O-N 3.41Å; Q264-C266 VanDerWaalsContact O-N 3.1Å; Q264-D282 PolarHBondContact N-OD1 2.88Å; Q264-D282 CarbonylContact O-C 3.53Å; Q264-D282 VanDerWaalsContact O-CA 3.26Å; Q264-D282 WeakPolarHBondContact O-CA 3.34Å; Q264-G283 PolarHBondContact O-N 3.32Å
265N97.8Very high98.4Very high145 Ų14546.2 Ų46.278%0.77526%0.258SS*.THydrogen-bonded Turntrans5824173.7-51.9-48000114.8G283N265-G283 WeakPolarHBondContact O-CA 3.38Å
266C98.4Very high98.4Very high10 Ų1047 Ų477%0.06826%0.264CS..  trans-78156.3175.6-60.20000111.7G249 I262 Q264 I268 E281 V284G249-C266 WeakPolarHBondContact CA-O 3.38Å; I262-C266 HydrophobicContact CG2-CB 3.98Å; Q264-C266 PolarHBondContact O-N 3.41Å; Q264-C266 VanDerWaalsContact O-N 3.1Å; C266-I268 HydrophobicContact CB-CD1 4.01Å; C266-I268 HydrophobicContact CB-CG1 4.03Å; C266-E281 PolarHBondContact SG-O 2.83Å; C266-V284 CarbonylContact C-O 3.58Å; C266-V284 VanDerWaalsContact CA-O 3.26Å; C266-V284 WeakPolarHBondContact CA-O 3.22Å; C266-V284 WeakPolarHBondContact CB-O 3.39Å
267S98.6Very high98.4Very high50 Ų5047.1 Ų47.135%0.3527%0.269SS..EExtended strand (participates in β ladder)trans-124.298.4168.4178.30000109.3G249 V284 C285 I286G249-S267 CarbonylContact O-C 3.54Å; G249-S267 WeakPolarHBondContact O-CA 3.4Å; S267-V284 PolarHBondContact N-O 2.93Å; S267-C285 CarbonylContact O-C 3.35Å; S267-C285 VanDerWaalsContact O-CA 3.29Å; S267-C285 WeakPolarHBondContact O-CA 3.13Å; S267-I286 PolarHBondContact O-N 2.74Å
268I98.7Very high98.4Very high0 Ų045.5 Ų45.50%026%0.261CS..EExtended strand (participates in β ladder)trans-110.9118-174-48.4-59.2000109.6G249 I250 V251 V254 I262 C266 V272 V280 I286G249-I268 PolarHBondContact O-N 3.26Å; I250-I268 CarbonylContact C-O 3.59Å; I250-I268 WeakPolarHBondContact CA-O 3.32Å; I250-I268 HydrophobicContact CD1-CB 3.87Å; I250-I268 HydrophobicContact CD1-CG1 4.34Å; I250-I268 HydrophobicContact CD1-CG2 4.48Å; V251-I268 PolarHBondContact N-O 3.29Å; V254-I268 HydrophobicContact CG1-CG2 3.9Å; V254-I268 HydrophobicContact CG2-CG2 4.38Å; V254-I268 WeakPolarHBondContact CG2-O 3.44Å; I262-I268 HydrophobicContact CG2-CG1 4.32Å; C266-I268 HydrophobicContact CB-CD1 4.01Å; C266-I268 HydrophobicContact CB-CG1 4.03Å; I268-V272 HydrophobicContact CG2-CB 3.99Å; I268-V272 HydrophobicContact CG2-CG1 3.74Å; I268-V272 HydrophobicContact CG2-CG2 4.28Å; I268-V280 HydrophobicContact CD1-CG1 4.13Å; I268-I286 HydrophobicContact CD1-CB 4.03Å; I268-I286 HydrophobicContact CD1-CD1 3.96Å; I268-I286 HydrophobicContact CD1-CG1 3.78Å
269G97.9Very high98.5Very high7 Ų741.5 Ų41.57%0.07223%0.234CC..  trans112.8177.7178.700000114.1V251 I286V251-G269 CarbonylContact O-C 3.5Å; V251-G269 VanDerWaalsContact O-CA 3.28Å; V251-G269 WeakPolarHBondContact O-CA 3.43Å; G269-I286 PolarHBondContact N-O 2.94Å
270P98.3Very high98.5Very high47 Ų4738.9 Ų38.931%0.30522%0.215SC..SBendcis-72161-2.830.9-37.2000114.1V251 R287 R288V251-P270 WeakPolarHBondContact O-CA 3.5Å; P270-R287 HydrophobicContact CG-CG 4.39Å; P270-R288 PolarHBondContact O-N 3.35Å
271N98.5Very high98.5Very high36 Ų3639.3 Ų39.319%0.19321%0.214CC..SBendtrans62.165.7173.6-53.7-50.3000113.1M229 C230 L233 N253 R288 C289M229-N271 HydrophobicContact CE-CB 4.5Å; M229-N271 WeakPolarHBondContact CE-O 3.48Å; C230-N271 HydrophobicContact CB-CB 4.29Å; C230-N271 VanDerWaalsContact SG-CB 3.51Å; L233-N271 HydrophobicContact CD1-CB 4.36Å; N253-N271 WeakPolarHBondContact O-CA 3.49Å; N253-N271 PolarHBondContact O-N 2.66Å; N271-R288 CarbonylContact O-C 3.53Å; N271-R288 WeakPolarHBondContact O-CA 3.25Å; N271-R288 PolarHBondContact O-N 2.78Å; N271-C289 PolarHBondContact O-N 3.27Å
272V98.8Very high98.5Very high0 Ų033.8 Ų33.80%020%0.199CC..EExtended strand (participates in β ladder)trans-124.2137.9178.5173.60000110.6N253 V254 L255 I268 L274 I286 C289N253-V272 PolarHBondContact O-N 3.23Å; V254-V272 CarbonylContact C-O 3.48Å; V254-V272 WeakPolarHBondContact CA-O 3.27Å; V254-V272 HydrophobicContact CG1-CB 4.16Å; V254-V272 HydrophobicContact CG1-CG1 4.45Å; V254-V272 HydrophobicContact CG2-CB 4.34Å; L255-V272 PolarHBondContact N-O 3.34Å; I268-V272 HydrophobicContact CG2-CB 3.99Å; I268-V272 HydrophobicContact CG2-CG1 3.74Å; I268-V272 HydrophobicContact CG2-CG2 4.28Å; V272-L274 HydrophobicContact CG1-CD2 3.7Å; V272-L274 HydrophobicContact CG1-CG 4.04Å; V272-I286 HydrophobicContact CG1-CG2 3.99Å; V272-I286 HydrophobicContact CG2-CB 4.27Å; V272-I286 HydrophobicContact CG2-CG2 3.77Å; V272-I286 WeakPolarHBondContact CG2-O 3.05Å; V272-C289 VanDerWaalsContact CA-O 3.28Å; V272-C289 WeakPolarHBondContact CA-O 3.29Å
273S98.7Very high98.5Very high0 Ų032.2 Ų32.20%019%0.194CC..EExtended strand (participates in β ladder)trans-116.5122.5168.3-167.90000109.6C29 N30 L255 C289 V291C29-S273 WeakPolarHBondContact CA-OG 3.39Å; N30-S273 PolarHBondContact OD1-OG 3.26Å; N30-S273 VanDerWaalsContact OD1-OG 3.04Å; L255-S273 CarbonylContact O-C 2.95Å; L255-S273 WeakPolarHBondContact O-CA 3.26Å; S273-C289 PolarHBondContact N-O 2.92Å; S273-V291 PolarHBondContact O-N 3.24Å
274L98.8Very high98.5Very high0 Ų031 Ų310%018%0.183CC..EExtended strand (participates in β ladder)trans-109116.6172.4-55.4-177000109.2N30 L255 V256 D257 A260 I262 V272 V278 V280 I286 V291N30-L274 PolarHBondContact ND2-O 3.31Å; N30-L274 PolarHBondContact OD1-O 3.12Å; L255-L274 PolarHBondContact O-N 2.71Å; V256-L274 HydrophobicContact CG1-CB 4.41Å; V256-L274 HydrophobicContact CG1-CD1 4.44Å; V256-L274 HydrophobicContact CG2-CD1 4.17Å; V256-L274 HydrophobicContact CG2-CG 4.47Å; D257-L274 PolarHBondContact N-O 2.96Å; A260-L274 HydrophobicContact CB-CB 4.44Å; I262-L274 HydrophobicContact CD1-CD1 3.88Å; I262-L274 HydrophobicContact CG1-CD1 4.03Å; V272-L274 HydrophobicContact CG1-CD2 3.7Å; V272-L274 HydrophobicContact CG1-CG 4.04Å; L274-V278 HydrophobicContact CB-CG1 4.29Å; L274-V278 HydrophobicContact CD2-CG1 4.27Å; L274-V280 HydrophobicContact CD1-CG2 4.03Å; L274-V280 HydrophobicContact CD2-CG2 4.35Å; L274-I286 HydrophobicContact CD2-CD1 4.41Å; L274-V291 HydrophobicContact CD2-CB 3.83Å; L274-V291 HydrophobicContact CD2-CG2 3.73Å
275G98.6Very high98.6Very high2 Ų226.6 Ų26.62%0.02117%0.166CC..  trans-74.9178.2-178.500000114.6N30 V278 V291N30-G275 VanDerWaalsContact OD1-CA 3.28Å; N30-G275 WeakPolarHBondContact OD1-CA 3.33Å; N30-G275 PolarHBondContact OD1-N 3.14Å; G275-V278 WeakPolarHBondContact O-CB 3.26Å; G275-V278 VanDerWaalsContact O-CG2 3.23Å; G275-V278 WeakPolarHBondContact O-CG2 3.26Å; G275-V278 PolarHBondContact O-N 2.62Å; G275-V291 PolarHBondContact N-O 2.97Å
276P98.6Very high98.6Very high28 Ų2819.8 Ų19.818%0.18213%0.13CC..THydrogen-bonded Turntrans-61.4141.8-179.1-16.427.3000112.3D257 S259 V278 R293 D294D257-P276 HydrophobicContact CB-CB 4.43Å; D257-P276 HydrophobicContact CB-CG 4.33Å; D257-P276 WeakPolarHBondContact OD1-CA 3.31Å; S259-P276 VanDerWaalsContact OG-CA 3.31Å; S259-P276 WeakPolarHBondContact OG-CA 3.4Å; P276-V278 PolarHBondContact O-N 2.82Å; P276-V278 VanDerWaalsContact O-N 3.1Å; P276-R293 HydrophobicContact CB-CG 4.03Å; P276-R293 HydrophobicContact CG-CG 4.36Å; P276-R293 CarbonylContact O-C 3.6Å; P276-R293 VanDerWaalsContact O-CA 3.25Å; P276-R293 WeakPolarHBondContact O-CA 3.34Å; P276-R293 WeakPolarHBondContact O-CG 3.33Å; P276-D294 PolarHBondContact O-N 2.68Å
277G98.5Very high98.6Very high24 Ų2424.6 Ų24.625%0.24715%0.146CC..THydrogen-bonded Turntrans68.13.1178.400000115.3S259 V279S259-G277 PolarHBondContact OG-N 3.05Å; G277-V279 PolarHBondContact O-N 2.76Å
278V98.8Very high98.6Very high0 Ų024.8 Ų24.80%014%0.14CC..  trans-63.8136.1179.5167.80000110.7A260 R261 L274 G275 P276 V280 V291 L292 A295A260-V278 CarbonylContact C-O 3.6Å; A260-V278 WeakPolarHBondContact CA-O 3.41Å; A260-V278 HydrophobicContact CB-CB 4.19Å; R261-V278 PolarHBondContact N-O 3.31Å; L274-V278 HydrophobicContact CB-CG1 4.29Å; L274-V278 HydrophobicContact CD2-CG1 4.27Å; G275-V278 WeakPolarHBondContact O-CB 3.26Å; G275-V278 VanDerWaalsContact O-CG2 3.23Å; G275-V278 WeakPolarHBondContact O-CG2 3.26Å; G275-V278 PolarHBondContact O-N 2.62Å; P276-V278 PolarHBondContact O-N 2.82Å; P276-V278 VanDerWaalsContact O-N 3.1Å; V278-V280 HydrophobicContact CG1-CG2 4.11Å; V278-V291 HydrophobicContact CB-CG1 4.44Å; V278-V291 HydrophobicContact CG1-CB 4.34Å; V278-V291 HydrophobicContact CG1-CG1 3.68Å; V278-V291 HydrophobicContact CG2-CB 4.41Å; V278-V291 HydrophobicContact CG2-CG1 3.8Å; V278-L292 WeakPolarHBondContact CG2-O 3.29Å; V278-A295 VanDerWaalsContact CA-O 3.32Å; V278-A295 WeakPolarHBondContact CA-O 3.22Å
279V98.9Very high98.7Very high47 Ų4724.8 Ų24.829%0.28514%0.14SC..EExtended strand (participates in β ladder)trans-119.2117.9175.9-179.60000109.5G277 A295 R296 I297G277-V279 PolarHBondContact O-N 2.76Å; V279-A295 PolarHBondContact N-O 2.84Å; V279-R296 HydrophobicContact CB-CG 4.17Å; V279-R296 HydrophobicContact CG1-CG 4.37Å; V279-R296 CarbonylContact O-C 3.5Å; V279-R296 VanDerWaalsContact O-CA 3.29Å; V279-R296 WeakPolarHBondContact O-CA 3.47Å; V279-I297 PolarHBondContact O-N 3.39Å
280V98.8Very high98.7Very high3 Ų324.5 Ų24.52%0.01814%0.137CC..EExtended strand (participates in β ladder)trans-107117.1171.9178.80000107.7R261 I262 G263 I268 L274 V278 V284 I286R261-V280 PolarHBondContact O-N 3.26Å; I262-V280 CarbonylContact C-O 3.58Å; G263-V280 PolarHBondContact N-O 3.45Å; I268-V280 HydrophobicContact CD1-CG1 4.13Å; L274-V280 HydrophobicContact CD1-CG2 4.03Å; L274-V280 HydrophobicContact CD2-CG2 4.35Å; V278-V280 HydrophobicContact CG1-CG2 4.11Å; V280-V284 HydrophobicContact CG1-CB 3.55Å; V280-V284 HydrophobicContact CG1-CG1 3.61Å; V280-V284 HydrophobicContact CG1-CG2 4.07Å; V280-I286 HydrophobicContact CG1-CD1 4.43Å; V280-I286 HydrophobicContact CG2-CD1 4.14Å
281E98.8Very high98.7Very high27 Ų2722.3 Ų22.313%0.12612%0.122CC..  trans-78.9177.5177.1-65.8-177.2-175.400112.5C266 V284 R296 I297 R298 S299C266-E281 PolarHBondContact SG-O 2.83Å; E281-V284 VanDerWaalsContact O-CG2 3.23Å; E281-V284 WeakPolarHBondContact O-CG2 3.19Å; E281-R296 IonicContact OE1-CZ 3.8Å; E281-R296 IonicContact OE1-NE 3.99Å; E281-R296 PolarHBondContact OE1-NE 3.1Å; E281-R296 IonicContact OE1-NH2 3.64Å; E281-R296 PolarHBondContact OE1-NH2 2.9Å; E281-I297 PolarHBondContact N-O 3.14Å; E281-R298 VanDerWaalsContact OE2-CA 3.27Å; E281-R298 WeakPolarHBondContact OE2-CA 3.47Å; E281-R298 WeakPolarHBondContact OE2-CB 3.24Å; E281-S299 WeakPolarHBondContact CB-OG 3.37Å; E281-S299 PolarHBondContact OE2-N 2.81Å; E281-S299 PolarHBondContact OE2-OG 3.38Å
282D98.7Very high98.7Very high72 Ų7220.8 Ų20.839%0.38511%0.114SC..THydrogen-bonded Turntrans-61.9144.7-172.2-60.9-16.6000113.1G263 Q264 V284 S299 H300G263-D282 WeakPolarHBondContact CA-OD1 3.23Å; Q264-D282 PolarHBondContact N-OD1 2.88Å; Q264-D282 CarbonylContact O-C 3.53Å; Q264-D282 VanDerWaalsContact O-CA 3.26Å; Q264-D282 WeakPolarHBondContact O-CA 3.34Å; D282-V284 PolarHBondContact O-N 2.88Å; D282-V284 VanDerWaalsContact O-N 3.16Å; D282-S299 CarbonylContact O-C 3.58Å; D282-S299 VanDerWaalsContact O-CA 3.22Å; D282-S299 WeakPolarHBondContact O-CA 3.15Å; D282-S299 WeakPolarHBondContact O-CB 3.48Å; D282-H300 PolarHBondContact O-N 2.98Å
283G98.4Very high98.7Very high16 Ų1626.4 Ų26.417%0.16514%0.135CC..THydrogen-bonded Turntrans69.98.217400000115.4Q264 N265Q264-G283 PolarHBondContact O-N 3.32Å; N265-G283 WeakPolarHBondContact O-CA 3.38Å
284V98.8Very high98.7Very high0 Ų030.3 Ų30.30%016%0.156CC..  trans-72.6139.1-180169.90000111.2C266 S267 V280 E281 D282 I286 I297 R298 S301C266-V284 CarbonylContact C-O 3.58Å; C266-V284 VanDerWaalsContact CA-O 3.26Å; C266-V284 WeakPolarHBondContact CA-O 3.22Å; C266-V284 WeakPolarHBondContact CB-O 3.39Å; S267-V284 PolarHBondContact N-O 2.93Å; V280-V284 HydrophobicContact CG1-CB 3.55Å; V280-V284 HydrophobicContact CG1-CG1 3.61Å; V280-V284 HydrophobicContact CG1-CG2 4.07Å; E281-V284 VanDerWaalsContact O-CG2 3.23Å; E281-V284 WeakPolarHBondContact O-CG2 3.19Å; D282-V284 PolarHBondContact O-N 2.88Å; D282-V284 VanDerWaalsContact O-N 3.16Å; V284-I286 HydrophobicContact CG1-CD1 3.84Å; V284-I286 HydrophobicContact CG1-CG1 3.58Å; V284-I297 HydrophobicContact CG1-CB 4.43Å; V284-I297 HydrophobicContact CG1-CG2 3.74Å; V284-I297 HydrophobicContact CG2-CG2 4.11Å; V284-R298 WeakPolarHBondContact CG2-O 3.24Å; V284-S301 WeakPolarHBondContact CA-O 3.32Å
285C98.8Very high98.7Very high44 Ų4430.4 Ų30.430%0.29716%0.157SC..EExtended strand (participates in β ladder)trans-115.9123.9176.2-66.70000110.4S267 S301 W302 L303S267-C285 CarbonylContact O-C 3.35Å; S267-C285 VanDerWaalsContact O-CA 3.29Å; S267-C285 WeakPolarHBondContact O-CA 3.13Å; C285-S301 PolarHBondContact N-O 2.87Å; C285-W302 HydrophobicContact CB-CG 4.32Å; C285-W302 CarbonylContact O-C 3.57Å; C285-W302 WeakPolarHBondContact O-CA 3.19Å; C285-L303 PolarHBondContact O-N 2.81Å
286I98.8Very high98.7Very high2 Ų236.1 Ų36.11%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-133.5130-178.2-50.8-176.4000109.8S267 I268 G269 V272 L274 V280 V284 C289 I297 L303S267-I286 PolarHBondContact O-N 2.74Å; I268-I286 HydrophobicContact CD1-CB 4.03Å; I268-I286 HydrophobicContact CD1-CD1 3.96Å; I268-I286 HydrophobicContact CD1-CG1 3.78Å; G269-I286 PolarHBondContact N-O 2.94Å; V272-I286 HydrophobicContact CG1-CG2 3.99Å; V272-I286 HydrophobicContact CG2-CB 4.27Å; V272-I286 HydrophobicContact CG2-CG2 3.77Å; V272-I286 WeakPolarHBondContact CG2-O 3.05Å; L274-I286 HydrophobicContact CD2-CD1 4.41Å; V280-I286 HydrophobicContact CG1-CD1 4.43Å; V280-I286 HydrophobicContact CG2-CD1 4.14Å; V284-I286 HydrophobicContact CG1-CD1 3.84Å; V284-I286 HydrophobicContact CG1-CG1 3.58Å; I286-C289 HydrophobicContact CG2-CB 3.44Å; I286-C289 VanDerWaalsContact CG2-CB 3.44Å; I286-I297 HydrophobicContact CD1-CG1 4.42Å; I286-L303 CarbonylContact C-O 3.59Å; I286-L303 WeakPolarHBondContact CA-O 3.19Å; I286-L303 HydrophobicContact CG1-CB 4.49Å; I286-L303 HydrophobicContact CG2-CB 4.3Å
287R98.6Very high98.7Very high111 Ų11134.8 Ų34.842%0.41917%0.169SC..EExtended strand (participates in β ladder)trans-138.9137176.4179.3171.275.3173.30.1111.5P270 C289 L303 E304 S305P270-R287 HydrophobicContact CG-CG 4.39Å; R287-C289 VanDerWaalsContact C-N 3.27Å; R287-C289 PolarHBondContact O-N 3.33Å; R287-C289 PolarHBondContact O-SG 3.02Å; R287-L303 PolarHBondContact N-O 2.91Å; R287-E304 IonicContact CZ-OE1 2.66Å; R287-E304 IonicContact CZ-OE2 3.08Å; R287-E304 IonicContact NE-OE1 2.75Å; R287-E304 PolarHBondContact NE-OE1 3.1Å; R287-E304 VanDerWaalsContact NE-OE1 3.09Å; R287-E304 IonicContact NE-OE2 3.22Å; R287-E304 PolarHBondContact NE-OE2 3.42Å; R287-E304 IonicContact NH2-OE1 2.85Å; R287-E304 PolarHBondContact NH2-OE1 3.31Å; R287-E304 IonicContact NH2-OE2 2.79Å; R287-E304 PolarHBondContact NH2-OE2 2.95Å; R287-E304 CarbonylContact O-C 3.57Å; R287-E304 VanDerWaalsContact O-CA 3.26Å; R287-E304 WeakPolarHBondContact O-CA 3.11Å; R287-S305 PolarHBondContact O-N 2.91Å
288R98.8Very high98.7Very high55 Ų5537.4 Ų37.421%0.20817%0.171CC..SBendtrans53.543.8177.8-165.6170.1175-78.7-7.2112T227 P270 N271 S305T227-R288 PolarHBondContact OG1-NH2 3.31Å; T227-R288 VanDerWaalsContact OG1-NH2 3.16Å; P270-R288 PolarHBondContact O-N 3.35Å; N271-R288 CarbonylContact O-C 3.53Å; N271-R288 WeakPolarHBondContact O-CA 3.25Å; N271-R288 PolarHBondContact O-N 2.78Å; R288-S305 WeakPolarHBondContact CD-OG 3.46Å; R288-S305 PolarHBondContact NH1-OG 3.12Å; R288-S305 WeakPolarHBondContact O-CA 3.26Å; R288-S305 PolarHBondContact O-N 3.32Å
289C98.9Very high98.7Very high0 Ų038.4 Ų38.40%018%0.178CC..EExtended strand (participates in β ladder)trans-124.6151-177.7-60.60000112.7M229 N271 V272 S273 I286 R287 C306M229-C289 VanDerWaalsContact SD-O 3.39Å; N271-C289 PolarHBondContact O-N 3.27Å; V272-C289 VanDerWaalsContact CA-O 3.28Å; V272-C289 WeakPolarHBondContact CA-O 3.29Å; S273-C289 PolarHBondContact N-O 2.92Å; I286-C289 HydrophobicContact CG2-CB 3.44Å; I286-C289 VanDerWaalsContact CG2-CB 3.44Å; R287-C289 VanDerWaalsContact C-N 3.27Å; R287-C289 PolarHBondContact O-N 3.33Å; R287-C289 PolarHBondContact O-SG 3.02Å; C289-C306 WeakPolarHBondContact CA-O 3.16Å; C289-C306 WeakPolarHBondContact CB-O 3.39Å; C289-C306 PolarHBondContact SG-N 2.93Å
290T98.6Very high98.7Very high1 Ų140.3 Ų40.31%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-110.6132.1161.7-166.60000108.8F225 L292 C306 I307 V308F225-T290 HydrophobicContact CD1-CG2 4.35Å; F225-T290 HydrophobicContact CE1-CG2 3.8Å; T290-L292 HydrophobicContact CG2-CD2 4.29Å; T290-C306 PolarHBondContact N-O 3.16Å; T290-C306 VanDerWaalsContact N-O 3.09Å; T290-I307 HydrophobicContact CG2-CB 3.82Å; T290-I307 HydrophobicContact CG2-CG1 3.72Å; T290-I307 HydrophobicContact CG2-CG2 3.44Å; T290-I307 VanDerWaalsContact CG2-CG2 3.44Å; T290-V308 PolarHBondContact O-N 3.16Å
291V98.8Very high98.7Very high0 Ų040.2 Ų40.20%018%0.183CC..EExtended strand (participates in β ladder)trans-119.5111.5177.3-175.30000107.4S273 L274 G275 V278 A295 I297 V308S273-V291 PolarHBondContact O-N 3.24Å; L274-V291 HydrophobicContact CD2-CB 3.83Å; L274-V291 HydrophobicContact CD2-CG2 3.73Å; G275-V291 PolarHBondContact N-O 2.97Å; V278-V291 HydrophobicContact CB-CG1 4.44Å; V278-V291 HydrophobicContact CG1-CB 4.34Å; V278-V291 HydrophobicContact CG1-CG1 3.68Å; V278-V291 HydrophobicContact CG2-CB 4.41Å; V278-V291 HydrophobicContact CG2-CG1 3.8Å; V291-A295 HydrophobicContact CG1-CB 3.71Å; V291-I297 HydrophobicContact CG1-CD1 4.41Å; V291-I297 HydrophobicContact CG1-CG1 4.48Å; V291-V308 HydrophobicContact CB-CB 4.47Å; V291-V308 HydrophobicContact CG1-CB 4.15Å; V291-V308 HydrophobicContact CG1-CG1 4.23Å; V291-V308 HydrophobicContact CG2-CB 4.35Å; V291-V308 HydrophobicContact CG2-CG2 4.41Å
292L98.6Very high98.7Very high5 Ų542.5 Ų42.53%0.02619%0.191CC..  trans-82.5172.2-173.1-54.7-171.2000111.6L17 D27 V278 T290 A295 V308 W310L17-L292 HydrophobicContact CD2-CD1 4.01Å; D27-L292 HydrophobicContact CB-CD2 4.22Å; V278-L292 WeakPolarHBondContact CG2-O 3.29Å; T290-L292 HydrophobicContact CG2-CD2 4.29Å; L292-A295 VanDerWaalsContact O-CB 3.31Å; L292-A295 WeakPolarHBondContact O-CB 3.45Å; L292-A295 PolarHBondContact O-N 2.57Å; L292-V308 WeakPolarHBondContact CB-O 3.22Å; L292-V308 WeakPolarHBondContact CG-O 3.42Å; L292-V308 PolarHBondContact N-O 3.46Å; L292-W310 HydrophobicContact CB-CD2 4.29Å; L292-W310 HydrophobicContact CB-CG 4.07Å; L292-W310 HydrophobicContact CD1-CD2 3.83Å; L292-W310 HydrophobicContact CD1-CE3 4.07Å; L292-W310 HydrophobicContact CD1-CG 4.48Å; L292-W310 HydrophobicContact CD1-CH2 3.87Å; L292-W310 HydrophobicContact CD1-CZ2 3.62Å; L292-W310 HydrophobicContact CD1-CZ3 4.09Å
293R98.1Very high98.7Very high117 Ų11739.1 Ų39.144%0.44217%0.173SC..THydrogen-bonded Turntrans-47.9138.1-167.6-156.9-169.3-67.1-137.2-6.6113.8P276 A295 W310 R311P276-R293 HydrophobicContact CB-CG 4.03Å; P276-R293 HydrophobicContact CG-CG 4.36Å; P276-R293 CarbonylContact O-C 3.6Å; P276-R293 VanDerWaalsContact O-CA 3.25Å; P276-R293 WeakPolarHBondContact O-CA 3.34Å; P276-R293 WeakPolarHBondContact O-CG 3.33Å; R293-A295 PolarHBondContact O-N 2.66Å; R293-W310 CarbonylContact O-C 3.55Å; R293-W310 WeakPolarHBondContact O-CA 3.3Å; R293-R311 PolarHBondContact O-N 3.23Å
294D98.6Very high98.7Very high83 Ų8340.2 Ų40.244%0.44417%0.173SC..THydrogen-bonded Turntrans58.515.7172.8-53.5-49.6000114.7P276 R311P276-D294 PolarHBondContact O-N 2.68Å; D294-R311 HydrophobicContact CB-CG 4Å
295A98.8Very high98.7Very high1 Ų140.9 Ų40.91%0.00818%0.178CC..  trans-75.9147.4173.100000111.3V278 V279 V291 L292 R293 V308 C312V278-A295 VanDerWaalsContact CA-O 3.32Å; V278-A295 WeakPolarHBondContact CA-O 3.22Å; V279-A295 PolarHBondContact N-O 2.84Å; V291-A295 HydrophobicContact CG1-CB 3.71Å; L292-A295 VanDerWaalsContact O-CB 3.31Å; L292-A295 WeakPolarHBondContact O-CB 3.45Å; L292-A295 PolarHBondContact O-N 2.57Å; R293-A295 PolarHBondContact O-N 2.66Å; A295-V308 HydrophobicContact CB-CG1 3.82Å; A295-C312 CarbonylContact C-O 3.48Å; A295-C312 VanDerWaalsContact CA-O 3.25Å; A295-C312 WeakPolarHBondContact CA-O 3.11Å; A295-C312 HydrophobicContact CB-CB 4.3Å
296R98.9Very high98.7Very high123 Ų12338.8 Ų38.846%0.46416%0.164SC..EExtended strand (participates in β ladder)trans-121.4125.5177.8-176.5170.5-178.7166.50.6110.6V279 E281 C312 R313 V314V279-R296 HydrophobicContact CB-CG 4.17Å; V279-R296 HydrophobicContact CG1-CG 4.37Å; V279-R296 CarbonylContact O-C 3.5Å; V279-R296 VanDerWaalsContact O-CA 3.29Å; V279-R296 WeakPolarHBondContact O-CA 3.47Å; E281-R296 IonicContact OE1-CZ 3.8Å; E281-R296 IonicContact OE1-NE 3.99Å; E281-R296 PolarHBondContact OE1-NE 3.1Å; E281-R296 IonicContact OE1-NH2 3.64Å; E281-R296 PolarHBondContact OE1-NH2 2.9Å; R296-C312 PolarHBondContact N-O 3.29Å; R296-R313 WeakPolarHBondContact O-CA 3.46Å; R296-V314 PolarHBondContact O-N 2.86Å
297I98.9Very high98.7Very high0 Ų038.7 Ų38.70%016%0.164CC..EExtended strand (participates in β ladder)trans-107.2114.1173-45.7-56.9000107.8V279 E281 V284 I286 V291 L303 V308 V314V279-I297 PolarHBondContact O-N 3.39Å; E281-I297 PolarHBondContact N-O 3.14Å; V284-I297 HydrophobicContact CG1-CB 4.43Å; V284-I297 HydrophobicContact CG1-CG2 3.74Å; V284-I297 HydrophobicContact CG2-CG2 4.11Å; I286-I297 HydrophobicContact CD1-CG1 4.42Å; V291-I297 HydrophobicContact CG1-CD1 4.41Å; V291-I297 HydrophobicContact CG1-CG1 4.48Å; I297-L303 HydrophobicContact CD1-CD2 3.95Å; I297-L303 HydrophobicContact CG1-CD2 4.48Å; I297-L303 HydrophobicContact CG2-CD1 3.89Å; I297-L303 HydrophobicContact CG2-CD2 4.47Å; I297-V308 HydrophobicContact CD1-CG1 4.08Å; I297-V308 HydrophobicContact CD1-CG2 4.15Å; I297-V314 HydrophobicContact CD1-CB 3.79Å; I297-V314 HydrophobicContact CD1-CG2 3.59Å; I297-V314 HydrophobicContact CG2-CB 4.35Å; I297-V314 HydrophobicContact CG2-CG1 4.44Å
298R98.8Very high98.7Very high78 Ų7833.4 Ų33.429%0.29414%0.144SC..  trans-80.5165.3-177.1-62.1178.670.4-1580.8112.2E281 V284 S301 V314 Q316 D334E281-R298 VanDerWaalsContact OE2-CA 3.27Å; E281-R298 WeakPolarHBondContact OE2-CA 3.47Å; E281-R298 WeakPolarHBondContact OE2-CB 3.24Å; V284-R298 WeakPolarHBondContact CG2-O 3.24Å; R298-S301 WeakPolarHBondContact O-CB 3.42Å; R298-S301 PolarHBondContact O-OG 3.26Å; R298-V314 VanDerWaalsContact CB-O 3.29Å; R298-V314 WeakPolarHBondContact CB-O 3.36Å; R298-V314 VanDerWaalsContact CG-O 3.27Å; R298-V314 WeakPolarHBondContact CG-O 3.49Å; R298-V314 PolarHBondContact N-O 3.06Å; R298-Q316 HydrophobicContact CB-CG 3.7Å; R298-D334 IonicContact CZ-OD1 2.62Å; R298-D334 IonicContact CZ-OD2 2.92Å; R298-D334 VanDerWaalsContact NH1-CG 3.27Å; R298-D334 IonicContact NH1-OD1 3.54Å; R298-D334 PolarHBondContact NH1-OD1 2.69Å; R298-D334 IonicContact NH1-OD2 3.26Å; R298-D334 PolarHBondContact NH1-OD2 2.85Å; R298-D334 IonicContact NH2-OD2 3.18Å
299S98.8Very high98.7Very high21 Ų2130.8 Ų30.815%0.14713%0.134CC..THydrogen-bonded Turntrans-52.6143.3-165.7-54.80000113.6E281 D282 S301 Q316 W317E281-S299 WeakPolarHBondContact CB-OG 3.37Å; E281-S299 PolarHBondContact OE2-N 2.81Å; E281-S299 PolarHBondContact OE2-OG 3.38Å; D282-S299 CarbonylContact O-C 3.58Å; D282-S299 VanDerWaalsContact O-CA 3.22Å; D282-S299 WeakPolarHBondContact O-CA 3.15Å; D282-S299 WeakPolarHBondContact O-CB 3.48Å; S299-S301 PolarHBondContact O-N 3.03Å; S299-S301 VanDerWaalsContact O-N 3.13Å; S299-Q316 VanDerWaalsContact O-CA 3.32Å; S299-Q316 WeakPolarHBondContact O-CA 3.49Å; S299-W317 PolarHBondContact O-N 2.86Å
300H98.6Very high98.7Very high88 Ų8831.3 Ų31.341%0.40714%0.136SC..THydrogen-bonded Turntrans60.715.4175.1-50-65.1000116.7D282 W317D282-H300 PolarHBondContact O-N 2.98Å; H300-W317 HydrophobicContact CB-CD2 3.7Å; H300-W317 HydrophobicContact CB-CE3 3.49Å; H300-W317 VanDerWaalsContact CB-CE3 3.49Å; H300-W317 HydrophobicContact CB-CH2 3.64Å; H300-W317 HydrophobicContact CB-CZ2 3.83Å; H300-W317 HydrophobicContact CB-CZ3 3.47Å; H300-W317 VanDerWaalsContact CB-CZ3 3.47Å; H300-W317 AromaticContact CD2-CE2 3.85Å; H300-W317 AromaticContact CD2-CH2 3.75Å; H300-W317 AromaticContact CD2-CZ2 3.38Å; H300-W317 WeakPolarHBondContact CD2-CZ2 3.27Å; H300-W317 AromaticContact CG-CH2 3.55Å; H300-W317 AromaticContact CG-CZ2 3.65Å; H300-W317 AromaticContact CG-CZ3 3.91Å
301S98.9Very high98.7Very high0 Ų036.4 Ų36.40%016%0.155CC..  trans-80.5149.3174.3-67.20000112.1V284 C285 R298 S299 G315 W317 V318V284-S301 WeakPolarHBondContact CA-O 3.32Å; C285-S301 PolarHBondContact N-O 2.87Å; R298-S301 WeakPolarHBondContact O-CB 3.42Å; R298-S301 PolarHBondContact O-OG 3.26Å; S299-S301 PolarHBondContact O-N 3.03Å; S299-S301 VanDerWaalsContact O-N 3.13Å; S301-G315 PolarHBondContact OG-O 3.35Å; S301-W317 PolarHBondContact OG-N 3.09Å; S301-V318 CarbonylContact C-O 3.54Å; S301-V318 VanDerWaalsContact CA-O 3.27Å; S301-V318 WeakPolarHBondContact CA-O 3.2Å; S301-V318 WeakPolarHBondContact CB-O 3.34Å; S301-V318 PolarHBondContact OG-N 2.89Å
302W98.9Very high98.7Very high76 Ų7636.4 Ų36.429%0.28816%0.155SC..EExtended strand (participates in β ladder)trans-122121.2-178.9-177.694.9000110.4C285 E304 V318 R319 M320 E321C285-W302 HydrophobicContact CB-CG 4.32Å; C285-W302 CarbonylContact O-C 3.57Å; C285-W302 WeakPolarHBondContact O-CA 3.19Å; W302-E304 HydrophobicContact CE3-CB 4.41Å; W302-E304 HydrophobicContact CH2-CB 3.4Å; W302-E304 VanDerWaalsContact CH2-CB 3.4Å; W302-E304 HydrophobicContact CH2-CG 4.27Å; W302-E304 WeakPolarHBondContact CH2-OE2 3.45Å; W302-E304 HydrophobicContact CZ2-CB 3.67Å; W302-E304 HydrophobicContact CZ2-CG 4.48Å; W302-E304 WeakPolarHBondContact CZ2-OE2 3.08Å; W302-E304 HydrophobicContact CZ3-CB 3.83Å; W302-V318 PolarHBondContact N-O 3.27Å; W302-R319 HydrophobicContact CE3-CG 3.51Å; W302-R319 HydrophobicContact CZ3-CG 3.88Å; W302-R319 CarbonylContact O-C 3.55Å; W302-R319 WeakPolarHBondContact O-CA 3.33Å; W302-M320 PolarHBondContact O-N 2.85Å; W302-E321 HydrophobicContact CH2-CB 4.35Å; W302-E321 HydrophobicContact CZ3-CB 3.86Å; W302-E321 HydrophobicContact CZ3-CG 4.38Å
303L98.9Very high98.7Very high0 Ų043.7 Ų43.70%018%0.182CC..EExtended strand (participates in β ladder)trans-124.5125.1-178.2-76.667.2000109.8C285 I286 R287 I297 V308 V314 M320C285-L303 PolarHBondContact O-N 2.81Å; I286-L303 CarbonylContact C-O 3.59Å; I286-L303 WeakPolarHBondContact CA-O 3.19Å; I286-L303 HydrophobicContact CG1-CB 4.49Å; I286-L303 HydrophobicContact CG2-CB 4.3Å; R287-L303 PolarHBondContact N-O 2.91Å; I297-L303 HydrophobicContact CD1-CD2 3.95Å; I297-L303 HydrophobicContact CG1-CD2 4.48Å; I297-L303 HydrophobicContact CG2-CD1 3.89Å; I297-L303 HydrophobicContact CG2-CD2 4.47Å; L303-V308 HydrophobicContact CD2-CG2 3.64Å; L303-V314 HydrophobicContact CD1-CG1 4.37Å; L303-M320 WeakPolarHBondContact CA-O 3.41Å; L303-M320 HydrophobicContact CD2-SD 4.3Å; L303-M320 HydrophobicContact CG-CB 4.24Å; L303-M320 HydrophobicContact CG-SD 4.15Å
304E98.8Very high98.7Very high39 Ų3938.1 Ų38.118%0.18216%0.161CC..EExtended strand (participates in β ladder)trans-129.4132.1174175.3164.7-169.900112.1R287 W302 C306 M320 E321R287-E304 IonicContact CZ-OE1 2.66Å; R287-E304 IonicContact CZ-OE2 3.08Å; R287-E304 IonicContact NE-OE1 2.75Å; R287-E304 PolarHBondContact NE-OE1 3.1Å; R287-E304 VanDerWaalsContact NE-OE1 3.09Å; R287-E304 IonicContact NE-OE2 3.22Å; R287-E304 PolarHBondContact NE-OE2 3.42Å; R287-E304 IonicContact NH2-OE1 2.85Å; R287-E304 PolarHBondContact NH2-OE1 3.31Å; R287-E304 IonicContact NH2-OE2 2.79Å; R287-E304 PolarHBondContact NH2-OE2 2.95Å; R287-E304 CarbonylContact O-C 3.57Å; R287-E304 VanDerWaalsContact O-CA 3.26Å; R287-E304 WeakPolarHBondContact O-CA 3.11Å; W302-E304 HydrophobicContact CE3-CB 4.41Å; W302-E304 HydrophobicContact CH2-CB 3.4Å; W302-E304 VanDerWaalsContact CH2-CB 3.4Å; W302-E304 HydrophobicContact CH2-CG 4.27Å; W302-E304 WeakPolarHBondContact CH2-OE2 3.45Å; W302-E304 HydrophobicContact CZ2-CB 3.67Å; W302-E304 HydrophobicContact CZ2-CG 4.48Å; W302-E304 WeakPolarHBondContact CZ2-OE2 3.08Å; W302-E304 HydrophobicContact CZ3-CB 3.83Å; E304-C306 VanDerWaalsContact C-N 3.32Å; E304-C306 PolarHBondContact O-N 2.68Å; E304-C306 PolarHBondContact O-SG 3.2Å; E304-M320 PolarHBondContact N-O 3.18Å; E304-E321 HydrophobicContact CB-CB 4.43Å; E304-E321 VanDerWaalsContact O-CA 3.23Å; E304-E321 WeakPolarHBondContact O-CA 3.48Å
305S98.6Very high98.7Very high15 Ų1534.3 Ų34.311%0.10514%0.141CC..SBendtrans55.347.2174.9-67.30000112.3L226 R287 R288 V323L226-S305 WeakPolarHBondContact CD1-O 3.43Å; R287-S305 PolarHBondContact O-N 2.91Å; R288-S305 WeakPolarHBondContact CD-OG 3.46Å; R288-S305 PolarHBondContact NH1-OG 3.12Å; R288-S305 WeakPolarHBondContact O-CA 3.26Å; R288-S305 PolarHBondContact O-N 3.32Å; S305-V323 WeakPolarHBondContact O-CA 3.21Å; S305-V323 PolarHBondContact O-N 3.16Å
306C98.7Very high98.7Very high0 Ų037 Ų370%015%0.154CC..  trans-123.5155.7-175.1-670000112.7C289 T290 E304 M320 T324C289-C306 WeakPolarHBondContact CA-O 3.16Å; C289-C306 WeakPolarHBondContact CB-O 3.39Å; C289-C306 PolarHBondContact SG-N 2.93Å; T290-C306 PolarHBondContact N-O 3.16Å; T290-C306 VanDerWaalsContact N-O 3.09Å; E304-C306 VanDerWaalsContact C-N 3.32Å; E304-C306 PolarHBondContact O-N 2.68Å; E304-C306 PolarHBondContact O-SG 3.2Å; C306-M320 VanDerWaalsContact SG-CB 3.55Å; C306-M320 PolarHBondContact SG-O 3.31Å; C306-M320 VanDerWaalsContact SG-O 3.35Å; C306-T324 CarbonylContact C-O 3.55Å; C306-T324 VanDerWaalsContact CA-O 3.3Å; C306-T324 WeakPolarHBondContact CA-O 3.32Å
307I98.8Very high98.7Very high0 Ų038.1 Ų38.10%016%0.158CC..EExtended strand (participates in β ladder)trans-117.9111168.2-55.7175.9000108.5L17 P222 F225 L226 T290 T324 V325 L326L17-I307 HydrophobicContact CD1-CG2 3.91Å; L17-I307 HydrophobicContact CD2-CG2 4.09Å; L17-I307 HydrophobicContact CG-CG2 4.48Å; P222-I307 HydrophobicContact CB-CD1 3.89Å; F225-I307 HydrophobicContact CB-CD1 4.25Å; F225-I307 HydrophobicContact CD1-CD1 3.97Å; F225-I307 HydrophobicContact CG-CD1 4.23Å; L226-I307 HydrophobicContact CD1-CG1 4.33Å; L226-I307 HydrophobicContact CD2-CD1 4.47Å; L226-I307 HydrophobicContact CD2-CG1 3.74Å; L226-I307 HydrophobicContact CG-CD1 4.24Å; L226-I307 HydrophobicContact CG-CG1 3.92Å; T290-I307 HydrophobicContact CG2-CB 3.82Å; T290-I307 HydrophobicContact CG2-CG1 3.72Å; T290-I307 HydrophobicContact CG2-CG2 3.44Å; T290-I307 VanDerWaalsContact CG2-CG2 3.44Å; I307-T324 PolarHBondContact N-O 3.48Å; I307-V325 HydrophobicContact CB-CB 4.47Å; I307-V325 HydrophobicContact CB-CG1 3.97Å; I307-V325 HydrophobicContact CB-CG2 4.28Å; I307-V325 HydrophobicContact CD1-CG2 4.25Å; I307-V325 HydrophobicContact CG1-CG2 4.46Å; I307-V325 HydrophobicContact CG2-CG1 4.18Å; I307-V325 WeakPolarHBondContact O-CA 3.45Å; I307-L326 PolarHBondContact O-N 2.89Å
308V98.8Very high98.7Very high0 Ų038.1 Ų38.10%016%0.158CC..EExtended strand (participates in β ladder)trans-94.8110.9176.4178.50000108.5T290 V291 L292 A295 I297 L303 C312 V314 M320 L326T290-V308 PolarHBondContact O-N 3.16Å; V291-V308 HydrophobicContact CB-CB 4.47Å; V291-V308 HydrophobicContact CG1-CB 4.15Å; V291-V308 HydrophobicContact CG1-CG1 4.23Å; V291-V308 HydrophobicContact CG2-CB 4.35Å; V291-V308 HydrophobicContact CG2-CG2 4.41Å; L292-V308 WeakPolarHBondContact CB-O 3.22Å; L292-V308 WeakPolarHBondContact CG-O 3.42Å; L292-V308 PolarHBondContact N-O 3.46Å; A295-V308 HydrophobicContact CB-CG1 3.82Å; I297-V308 HydrophobicContact CD1-CG1 4.08Å; I297-V308 HydrophobicContact CD1-CG2 4.15Å; L303-V308 HydrophobicContact CD2-CG2 3.64Å; V308-C312 HydrophobicContact CG1-CB 3.58Å; V308-V314 HydrophobicContact CG1-CG2 4.37Å; V308-V314 HydrophobicContact CG2-CG2 4.5Å; V308-M320 HydrophobicContact CG2-CE 4.39Å; V308-L326 HydrophobicContact CG1-CD1 4.37Å
309G98.3Very high98.7Very high0 Ų039.9 Ų39.90%017%0.165CC..  trans-63.6173.3-18000000115C312 L326G309-C312 WeakPolarHBondContact O-CB 3.13Å; G309-C312 PolarHBondContact O-N 2.62Å; G309-C312 PolarHBondContact O-SG 3.09Å; G309-L326 VanDerWaalsContact CA-O 3.24Å; G309-L326 WeakPolarHBondContact CA-O 3.44Å; G309-L326 PolarHBondContact N-O 3.48Å; G309-L326 VanDerWaalsContact N-O 3.09Å
310W98.4Very high98.7Very high10 Ų1038.9 Ų38.94%0.03816%0.158CC..THydrogen-bonded Turntrans-60.9141.9-176.4-55.8-91.2000112L17 T21 V26 D27 L292 R293 C312 E328 D329L17-W310 HydrophobicContact CB-CH2 4.24Å; L17-W310 HydrophobicContact CB-CZ3 4.14Å; L17-W310 HydrophobicContact CD2-CH2 4.43Å; L17-W310 HydrophobicContact CD2-CZ3 3.97Å; T21-W310 HydrophobicContact CG2-CH2 4.36Å; T21-W310 HydrophobicContact CG2-CZ2 4.4Å; V26-W310 HydrophobicContact CB-CH2 4.37Å; V26-W310 HydrophobicContact CG1-CH2 4.04Å; V26-W310 HydrophobicContact CG1-CZ2 4.25Å; V26-W310 HydrophobicContact CG2-CH2 4.13Å; D27-W310 PolarHBondContact OD2-NE1 3Å; L292-W310 HydrophobicContact CB-CD2 4.29Å; L292-W310 HydrophobicContact CB-CG 4.07Å; L292-W310 HydrophobicContact CD1-CD2 3.83Å; L292-W310 HydrophobicContact CD1-CE3 4.07Å; L292-W310 HydrophobicContact CD1-CG 4.48Å; L292-W310 HydrophobicContact CD1-CH2 3.87Å; L292-W310 HydrophobicContact CD1-CZ2 3.62Å; L292-W310 HydrophobicContact CD1-CZ3 4.09Å; R293-W310 CarbonylContact O-C 3.55Å; R293-W310 WeakPolarHBondContact O-CA 3.3Å; W310-C312 PolarHBondContact O-N 3.13Å; W310-E328 HydrophobicContact CB-CG 4.34Å; W310-E328 HydrophobicContact CE3-CB 4.42Å; W310-E328 CarbonylContact O-C 3.5Å; W310-E328 WeakPolarHBondContact O-CA 3.43Å; W310-D329 PolarHBondContact O-N 2.81Å
311R98.6Very high98.7Very high108 Ų10835.8 Ų35.841%0.40814%0.144SC..THydrogen-bonded Turntrans56.813.2178.7-77.1153.5-89148173.3115.8R293 D294 E328 D329R293-R311 PolarHBondContact O-N 3.23Å; D294-R311 HydrophobicContact CB-CG 4Å; R311-E328 IonicContact CZ-OE1 2.83Å; R311-E328 IonicContact NH1-OE1 3.41Å; R311-E328 PolarHBondContact NH1-OE1 3.21Å; R311-E328 IonicContact NH2-OE1 3.09Å; R311-E328 PolarHBondContact NH2-OE1 2.85Å; R311-D329 HydrophobicContact CB-CB 4.47Å
312C98.8Very high98.7Very high0 Ų040.3 Ų40.30%017%0.168CC..  trans-66.1150.6177.9-730000112.3A295 R296 V308 G309 W310 L326 G327 V330A295-C312 CarbonylContact C-O 3.48Å; A295-C312 VanDerWaalsContact CA-O 3.25Å; A295-C312 WeakPolarHBondContact CA-O 3.11Å; A295-C312 HydrophobicContact CB-CB 4.3Å; R296-C312 PolarHBondContact N-O 3.29Å; V308-C312 HydrophobicContact CG1-CB 3.58Å; G309-C312 WeakPolarHBondContact O-CB 3.13Å; G309-C312 PolarHBondContact O-N 2.62Å; G309-C312 PolarHBondContact O-SG 3.09Å; W310-C312 PolarHBondContact O-N 3.13Å; C312-L326 HydrophobicContact CB-CD1 4.33Å; C312-G327 PolarHBondContact SG-O 2.81Å; C312-V330 CarbonylContact C-O 3.57Å; C312-V330 WeakPolarHBondContact CA-O 3.33Å; C312-V330 WeakPolarHBondContact CB-O 3.27Å; C312-V330 PolarHBondContact SG-N 2.88Å; C312-V330 VanDerWaalsContact SG-N 3.38Å
313R98.9Very high98.6Very high158 Ų15838.6 Ų38.660%0.59617%0.166SC*.EExtended strand (participates in β ladder)trans-122.4109.7172.6-62.7-178.3-174.9-162.52108.6R296 V330 I331 V332R296-R313 WeakPolarHBondContact O-CA 3.46Å; R313-V330 PolarHBondContact N-O 2.93Å; R313-I331 HydrophobicContact CB-CG1 4.5Å; R313-I331 CarbonylContact O-C 3.56Å; R313-I331 WeakPolarHBondContact O-CA 3.33Å; R313-V332 PolarHBondContact O-N 2.76Å
314V98.9Very high98.6Very high0 Ų038.6 Ų38.60%017%0.166CC..EExtended strand (participates in β ladder)trans-93.7123.6173.2179.50000108.3R296 I297 R298 L303 V308 V318 M320 L326R296-V314 PolarHBondContact O-N 2.86Å; I297-V314 HydrophobicContact CD1-CB 3.79Å; I297-V314 HydrophobicContact CD1-CG2 3.59Å; I297-V314 HydrophobicContact CG2-CB 4.35Å; I297-V314 HydrophobicContact CG2-CG1 4.44Å; R298-V314 VanDerWaalsContact CB-O 3.29Å; R298-V314 WeakPolarHBondContact CB-O 3.36Å; R298-V314 VanDerWaalsContact CG-O 3.27Å; R298-V314 WeakPolarHBondContact CG-O 3.49Å; R298-V314 PolarHBondContact N-O 3.06Å; L303-V314 HydrophobicContact CD1-CG1 4.37Å; V308-V314 HydrophobicContact CG1-CG2 4.37Å; V308-V314 HydrophobicContact CG2-CG2 4.5Å; V314-V318 HydrophobicContact CG1-CB 3.72Å; V314-V318 HydrophobicContact CG1-CG1 3.58Å; V314-V318 HydrophobicContact CG1-CG2 4.21Å; V314-M320 HydrophobicContact CG1-SD 3.91Å; V314-M320 HydrophobicContact CG2-SD 3.88Å; V314-L326 HydrophobicContact CG2-CD1 4.05Å
315G98.8Very high98.6Very high3 Ų337 Ų373%0.03116%0.158CC..  trans-58.3174.8-18000000114.6S301 V332 D334S301-G315 PolarHBondContact OG-O 3.35Å; G315-V332 VanDerWaalsContact CA-O 3.3Å; G315-V332 WeakPolarHBondContact CA-O 3.34Å; G315-V332 PolarHBondContact N-O 2.88Å; G315-D334 WeakPolarHBondContact CA-OD1 3.23Å
316Q98.8Very high98.6Very high58 Ų5836.2 Ų36.227%0.27115%0.153SC..THydrogen-bonded Turntrans-74.1149.2172.5-66.2178.3-8.800110.2R298 S299 V318 D334 E335R298-Q316 HydrophobicContact CB-CG 3.7Å; S299-Q316 VanDerWaalsContact O-CA 3.32Å; S299-Q316 WeakPolarHBondContact O-CA 3.49Å; Q316-V318 PolarHBondContact O-N 2.86Å; Q316-D334 HydrophobicContact CB-CB 4.39Å; Q316-D334 PolarHBondContact N-OD1 3.15Å; Q316-D334 CarbonylContact O-C 3.56Å; Q316-D334 WeakPolarHBondContact O-CA 3.03Å; Q316-E335 PolarHBondContact O-N 2.89Å
317W98.7Very high98.6Very high146 Ų14636.2 Ų36.255%0.55315%0.153SC*.THydrogen-bonded Turntrans55.324.6177.4-52.3103.7000114.1S299 H300 S301 E335S299-W317 PolarHBondContact O-N 2.86Å; H300-W317 HydrophobicContact CB-CD2 3.7Å; H300-W317 HydrophobicContact CB-CE3 3.49Å; H300-W317 VanDerWaalsContact CB-CE3 3.49Å; H300-W317 HydrophobicContact CB-CH2 3.64Å; H300-W317 HydrophobicContact CB-CZ2 3.83Å; H300-W317 HydrophobicContact CB-CZ3 3.47Å; H300-W317 VanDerWaalsContact CB-CZ3 3.47Å; H300-W317 AromaticContact CD2-CE2 3.85Å; H300-W317 AromaticContact CD2-CH2 3.75Å; H300-W317 AromaticContact CD2-CZ2 3.38Å; H300-W317 WeakPolarHBondContact CD2-CZ2 3.27Å; H300-W317 AromaticContact CG-CH2 3.55Å; H300-W317 AromaticContact CG-CZ2 3.65Å; H300-W317 AromaticContact CG-CZ3 3.91Å; S301-W317 PolarHBondContact OG-N 3.09Å; W317-E335 HydrophobicContact CB-CG 4.07Å
318V98.9Very high98.6Very high1 Ų137.4 Ų37.41%0.00616%0.159CC..  trans-82.8137.4178.4167.60000109.4S301 W302 V314 Q316 M320 V332 N333 L336S301-V318 CarbonylContact C-O 3.54Å; S301-V318 VanDerWaalsContact CA-O 3.27Å; S301-V318 WeakPolarHBondContact CA-O 3.2Å; S301-V318 WeakPolarHBondContact CB-O 3.34Å; S301-V318 PolarHBondContact OG-N 2.89Å; W302-V318 PolarHBondContact N-O 3.27Å; V314-V318 HydrophobicContact CG1-CB 3.72Å; V314-V318 HydrophobicContact CG1-CG1 3.58Å; V314-V318 HydrophobicContact CG1-CG2 4.21Å; Q316-V318 PolarHBondContact O-N 2.86Å; V318-M320 HydrophobicContact CG1-CG 3.73Å; V318-M320 HydrophobicContact CG1-SD 4.13Å; V318-V332 HydrophobicContact CG1-CG1 3.99Å; V318-V332 HydrophobicContact CG2-CG1 4.06Å; V318-N333 WeakPolarHBondContact CG2-O 3.29Å; V318-L336 CarbonylContact C-O 3.5Å; V318-L336 VanDerWaalsContact CA-O 3.31Å; V318-L336 WeakPolarHBondContact CA-O 3.41Å; V318-L336 HydrophobicContact CG2-CB 4.47Å
319R98.8Very high98.6Very high115 Ų11540.4 Ų40.443%0.43418%0.175SC..EExtended strand (participates in β ladder)trans-112.2122.3172.3-172.5-174171122.42.7109.4W302 E321 L336 Y337 L338W302-R319 HydrophobicContact CE3-CG 3.51Å; W302-R319 HydrophobicContact CZ3-CG 3.88Å; W302-R319 CarbonylContact O-C 3.55Å; W302-R319 WeakPolarHBondContact O-CA 3.33Å; R319-E321 IonicContact CZ-OE1 3.99Å; R319-E321 IonicContact NE-OE1 3.22Å; R319-E321 PolarHBondContact NE-OE1 3.47Å; R319-E321 IonicContact NH2-OE1 2.67Å; R319-E321 PolarHBondContact NH2-OE1 2.59Å; R319-E321 IonicContact NH2-OE2 2.69Å; R319-E321 PolarHBondContact NH2-OE2 2.93Å; R319-L336 PolarHBondContact N-O 2.84Å; R319-Y337 HydrophobicContact CB-CD2 3.89Å; R319-Y337 HydrophobicContact CG-CD2 3.85Å; R319-Y337 HydrophobicContact CG-CE2 4.16Å; R319-Y337 CarbonylContact O-C 3.55Å; R319-Y337 WeakPolarHBondContact O-CA 3.27Å; R319-L338 PolarHBondContact O-N 2.89Å
320M98.7Very high98.6Very high0 Ų040.4 Ų40.40%018%0.175CC..EExtended strand (participates in β ladder)trans-126.9130.8174.8-60.7166.861.600110.7W302 L303 E304 C306 V308 V314 V318 T324 L326 L338W302-M320 PolarHBondContact O-N 2.85Å; L303-M320 WeakPolarHBondContact CA-O 3.41Å; L303-M320 HydrophobicContact CD2-SD 4.3Å; L303-M320 HydrophobicContact CG-CB 4.24Å; L303-M320 HydrophobicContact CG-SD 4.15Å; E304-M320 PolarHBondContact N-O 3.18Å; C306-M320 VanDerWaalsContact SG-CB 3.55Å; C306-M320 PolarHBondContact SG-O 3.31Å; C306-M320 VanDerWaalsContact SG-O 3.35Å; V308-M320 HydrophobicContact CG2-CE 4.39Å; V314-M320 HydrophobicContact CG1-SD 3.91Å; V314-M320 HydrophobicContact CG2-SD 3.88Å; V318-M320 HydrophobicContact CG1-CG 3.73Å; V318-M320 HydrophobicContact CG1-SD 4.13Å; M320-T324 HydrophobicContact CE-CG2 3.49Å; M320-T324 VanDerWaalsContact CE-CG2 3.49Å; M320-L326 HydrophobicContact CE-CD1 3.67Å; M320-L326 HydrophobicContact CE-CD2 3.9Å; M320-L326 HydrophobicContact CE-CG 3.69Å; M320-L326 HydrophobicContact SD-CD1 4.41Å; M320-L338 CarbonylContact C-O 3.44Å; M320-L338 VanDerWaalsContact CA-O 3.32Å; M320-L338 WeakPolarHBondContact CA-O 3.12Å; M320-L338 HydrophobicContact CG-CB 4.15Å
321E98.5Very high98.6Very high23 Ų2343 Ų4311%0.10719%0.189CC..EExtended strand (participates in β ladder)trans-147.7-179.6177.363.5-167.5134.700116W302 E304 R319 V323 T324 Y337 L338 G340W302-E321 HydrophobicContact CH2-CB 4.35Å; W302-E321 HydrophobicContact CZ3-CB 3.86Å; W302-E321 HydrophobicContact CZ3-CG 4.38Å; E304-E321 HydrophobicContact CB-CB 4.43Å; E304-E321 VanDerWaalsContact O-CA 3.23Å; E304-E321 WeakPolarHBondContact O-CA 3.48Å; R319-E321 IonicContact CZ-OE1 3.99Å; R319-E321 IonicContact NE-OE1 3.22Å; R319-E321 PolarHBondContact NE-OE1 3.47Å; R319-E321 IonicContact NH2-OE1 2.67Å; R319-E321 PolarHBondContact NH2-OE1 2.59Å; R319-E321 IonicContact NH2-OE2 2.69Å; R319-E321 PolarHBondContact NH2-OE2 2.93Å; E321-V323 PolarHBondContact O-N 2.83Å; E321-T324 PolarHBondContact O-N 2.87Å; E321-T324 PolarHBondContact O-OG1 2.8Å; E321-Y337 HydrophobicContact CG-CE2 3.95Å; E321-Y337 WeakPolarHBondContact OE1-CE2 3.24Å; E321-Y337 PolarHBondContact OE1-OH 2.89Å; E321-L338 PolarHBondContact N-O 2.75Å; E321-G340 PolarHBondContact O-N 3.48Å
322N97.8Very high98.6Very high94 Ų9438 Ų3850%0.50317%0.17SC..SBendtrans57.448.7170.2-66-38.7000115.4N339 G340N322-N339 VanDerWaalsContact CB-OD1 3.25Å; N322-N339 WeakPolarHBondContact CB-OD1 3.13Å; N322-N339 PolarHBondContact ND2-OD1 2.79Å; N322-G340 WeakPolarHBondContact O-CA 3.3Å
323V98Very high98.6Very high41 Ų4141.4 Ų41.425%0.24819%0.188CC..SBendtrans66.141.8179.6-160.40000111.2P222 K223 L226 S305 E321 V325P222-V323 HydrophobicContact CB-CG1 3.74Å; K223-V323 HydrophobicContact CB-CG1 4.5Å; L226-V323 HydrophobicContact CD1-CG1 4.28Å; L226-V323 HydrophobicContact CD1-CG2 4.46Å; S305-V323 WeakPolarHBondContact O-CA 3.21Å; S305-V323 PolarHBondContact O-N 3.16Å; E321-V323 PolarHBondContact O-N 2.83Å; V323-V325 HydrophobicContact CG1-CG2 4.43Å; V323-V325 PolarHBondContact O-N 2.82Å
324T98.7Very high98.6Very high0 Ų036.7 Ų36.70%018%0.175CC..  trans-68.3129.1166.2-68.10000109.6C306 I307 M320 E321 L326 L338 G340 A341C306-T324 CarbonylContact C-O 3.55Å; C306-T324 VanDerWaalsContact CA-O 3.3Å; C306-T324 WeakPolarHBondContact CA-O 3.32Å; I307-T324 PolarHBondContact N-O 3.48Å; M320-T324 HydrophobicContact CE-CG2 3.49Å; M320-T324 VanDerWaalsContact CE-CG2 3.49Å; E321-T324 PolarHBondContact O-N 2.87Å; E321-T324 PolarHBondContact O-OG1 2.8Å; T324-L326 HydrophobicContact CG2-CD2 4.17Å; T324-L338 HydrophobicContact CG2-CB 4.13Å; T324-L338 HydrophobicContact CG2-CD2 4.18Å; T324-L338 PolarHBondContact OG1-O 3.18Å; T324-G340 PolarHBondContact OG1-N 2.92Å; T324-A341 CarbonylContact C-O 3.52Å; T324-A341 VanDerWaalsContact CA-O 3.24Å; T324-A341 WeakPolarHBondContact CA-O 2.99Å; T324-A341 HydrophobicContact CG2-CB 4.16Å; T324-A341 PolarHBondContact OG1-N 2.76Å
325V98.8Very high98.6Very high4 Ų443.8 Ų43.82%0.02421%0.208CC..EExtended strand (participates in β ladder)trans-125122.2-179.3-171.40000109.6P16 L17 P222 I307 V323 A341 V343P16-V325 VanDerWaalsContact CD-CG1 3.48Å; P16-V325 HydrophobicContact CG-CB 4.26Å; P16-V325 HydrophobicContact CG-CG1 3.73Å; L17-V325 HydrophobicContact CD2-CG1 4.3Å; L17-V325 HydrophobicContact CG-CG1 4.21Å; P222-V325 HydrophobicContact CB-CG2 3.58Å; P222-V325 HydrophobicContact CG-CG2 3.87Å; I307-V325 HydrophobicContact CB-CB 4.47Å; I307-V325 HydrophobicContact CB-CG1 3.97Å; I307-V325 HydrophobicContact CB-CG2 4.28Å; I307-V325 HydrophobicContact CD1-CG2 4.25Å; I307-V325 HydrophobicContact CG1-CG2 4.46Å; I307-V325 HydrophobicContact CG2-CG1 4.18Å; I307-V325 WeakPolarHBondContact O-CA 3.45Å; V323-V325 HydrophobicContact CG1-CG2 4.43Å; V323-V325 PolarHBondContact O-N 2.82Å; V325-A341 PolarHBondContact N-O 2.81Å; V325-V343 PolarHBondContact O-N 2.9Å
326L98.8Very high98.6Very high0 Ų044.5 Ų44.50%021%0.211CC..EExtended strand (participates in β ladder)trans-97.3131.4171.9-51.8-173.1000109.3I307 V308 G309 C312 V314 M320 T324 V330 V332 L338 V343I307-L326 PolarHBondContact O-N 2.89Å; V308-L326 HydrophobicContact CG1-CD1 4.37Å; G309-L326 VanDerWaalsContact CA-O 3.24Å; G309-L326 WeakPolarHBondContact CA-O 3.44Å; G309-L326 PolarHBondContact N-O 3.48Å; G309-L326 VanDerWaalsContact N-O 3.09Å; C312-L326 HydrophobicContact CB-CD1 4.33Å; V314-L326 HydrophobicContact CG2-CD1 4.05Å; M320-L326 HydrophobicContact CE-CD1 3.67Å; M320-L326 HydrophobicContact CE-CD2 3.9Å; M320-L326 HydrophobicContact CE-CG 3.69Å; M320-L326 HydrophobicContact SD-CD1 4.41Å; T324-L326 HydrophobicContact CG2-CD2 4.17Å; L326-V330 HydrophobicContact CB-CB 4.13Å; L326-V330 HydrophobicContact CB-CG1 4.44Å; L326-V330 HydrophobicContact CB-CG2 4.29Å; L326-V330 HydrophobicContact CD1-CB 4.49Å; L326-V330 HydrophobicContact CD1-CG1 4.31Å; L326-V330 HydrophobicContact CD2-CG1 4.15Å; L326-V332 HydrophobicContact CD1-CG2 3.89Å; L326-V332 HydrophobicContact CD2-CG2 4.35Å; L326-L338 HydrophobicContact CD2-CD2 4.26Å; L326-V343 HydrophobicContact CD2-CB 3.92Å; L326-V343 HydrophobicContact CD2-CG2 3.64Å
327G98.3Very high98.6Very high0 Ų044.8 Ų44.80%021%0.21CC..  trans-64.7-171.216600000111.9C312 V343C312-G327 PolarHBondContact SG-O 2.81Å; G327-V343 WeakPolarHBondContact CA-O 3.31Å; G327-V343 PolarHBondContact N-O 2.69Å
328E98.2Very high98.6Very high25 Ų2537.9 Ų37.912%0.11718%0.184CC..THydrogen-bonded Turntrans-68.8141.5175.7-179.5179.7-135.600111.5S20 W310 R311 V330 P345 H346S20-E328 WeakPolarHBondContact CB-OE2 3.31Å; S20-E328 WeakPolarHBondContact OG-CB 3.32Å; S20-E328 PolarHBondContact OG-OE2 3.16Å; W310-E328 HydrophobicContact CB-CG 4.34Å; W310-E328 HydrophobicContact CE3-CB 4.42Å; W310-E328 CarbonylContact O-C 3.5Å; W310-E328 WeakPolarHBondContact O-CA 3.43Å; R311-E328 IonicContact CZ-OE1 2.83Å; R311-E328 IonicContact NH1-OE1 3.41Å; R311-E328 PolarHBondContact NH1-OE1 3.21Å; R311-E328 IonicContact NH2-OE1 3.09Å; R311-E328 PolarHBondContact NH2-OE1 2.85Å; E328-V330 VanDerWaalsContact C-N 3.3Å; E328-V330 PolarHBondContact O-N 2.74Å; E328-P345 HydrophobicContact CB-CB 4.24Å; E328-P345 CarbonylContact O-C 3.6Å; E328-P345 WeakPolarHBondContact O-CA 3.29Å; E328-P345 WeakPolarHBondContact O-CB 3.18Å; E328-H346 PolarHBondContact O-N 3.22Å; E328-H346 IonicContact OE2-NE2 2.62Å
329D98.5Very high98.6Very high63 Ų6338.9 Ų38.934%0.33719%0.19SC..THydrogen-bonded Turntrans56.741.7169.7-17245.2000113.2W310 R311 H346W310-D329 PolarHBondContact O-N 2.81Å; R311-D329 HydrophobicContact CB-CB 4.47Å; D329-H346 WeakPolarHBondContact CB-ND1 3.46Å; D329-H346 WeakPolarHBondContact O-CA 3.39Å; D329-H346 IonicContact OD2-CE1 3.75Å; D329-H346 IonicContact OD2-ND1 2.89Å; D329-H346 PolarHBondContact OD2-ND1 2.75Å
330V98.8Very high98.5Very high0 Ų034.1 Ų34.10%018%0.176CC..  trans-89.1134173.2176.50000110.3C312 R313 L326 E328 V332 V343 L344 K347 I349C312-V330 CarbonylContact C-O 3.57Å; C312-V330 WeakPolarHBondContact CA-O 3.33Å; C312-V330 WeakPolarHBondContact CB-O 3.27Å; C312-V330 PolarHBondContact SG-N 2.88Å; C312-V330 VanDerWaalsContact SG-N 3.38Å; R313-V330 PolarHBondContact N-O 2.93Å; L326-V330 HydrophobicContact CB-CB 4.13Å; L326-V330 HydrophobicContact CB-CG1 4.44Å; L326-V330 HydrophobicContact CB-CG2 4.29Å; L326-V330 HydrophobicContact CD1-CB 4.49Å; L326-V330 HydrophobicContact CD1-CG1 4.31Å; L326-V330 HydrophobicContact CD2-CG1 4.15Å; E328-V330 VanDerWaalsContact C-N 3.3Å; E328-V330 PolarHBondContact O-N 2.74Å; V330-V332 HydrophobicContact CG1-CG2 4.28Å; V330-V343 HydrophobicContact CB-CG1 4.47Å; V330-V343 HydrophobicContact CG1-CB 4.34Å; V330-V343 HydrophobicContact CG1-CG1 3.69Å; V330-V343 HydrophobicContact CG2-CB 4.39Å; V330-V343 HydrophobicContact CG2-CG1 3.87Å; V330-L344 VanDerWaalsContact CG2-O 3.29Å; V330-L344 WeakPolarHBondContact CG2-O 2.9Å; V330-K347 CarbonylContact C-O 3.55Å; V330-K347 WeakPolarHBondContact CA-O 3.37Å; V330-I349 HydrophobicContact CG1-CG1 4.34Å
331I98.8Very high98.5Very high65 Ų6534.1 Ų34.133%0.33318%0.176SC..EExtended strand (participates in β ladder)trans-105.7121.9173.1-57.4173.2000107.9R313 K347 S348 I349R313-I331 HydrophobicContact CB-CG1 4.5Å; R313-I331 CarbonylContact O-C 3.56Å; R313-I331 WeakPolarHBondContact O-CA 3.33Å; I331-K347 PolarHBondContact N-O 2.81Å; I331-S348 CarbonylContact O-C 3.51Å; I331-S348 VanDerWaalsContact O-CA 3.31Å; I331-S348 WeakPolarHBondContact O-CA 3.25Å; I331-I349 PolarHBondContact O-N 3.03Å
332V98.8Very high98.5Very high2 Ų234.4 Ų34.41%0.01218%0.18CC..EExtended strand (participates in β ladder)trans-105.4119.2169.1-174.40000107R313 G315 V318 L326 V330 L336 L338 I349R313-V332 PolarHBondContact O-N 2.76Å; G315-V332 VanDerWaalsContact CA-O 3.3Å; G315-V332 WeakPolarHBondContact CA-O 3.34Å; G315-V332 PolarHBondContact N-O 2.88Å; V318-V332 HydrophobicContact CG1-CG1 3.99Å; V318-V332 HydrophobicContact CG2-CG1 4.06Å; L326-V332 HydrophobicContact CD1-CG2 3.89Å; L326-V332 HydrophobicContact CD2-CG2 4.35Å; V330-V332 HydrophobicContact CG1-CG2 4.28Å; V332-L336 HydrophobicContact CG1-CB 4.12Å; V332-L336 HydrophobicContact CG1-CD1 4.06Å; V332-L338 HydrophobicContact CG1-CD1 3.79Å; V332-L338 HydrophobicContact CG1-CD2 4.35Å; V332-L338 HydrophobicContact CG2-CD2 4.18Å; V332-I349 HydrophobicContact CG2-CG1 4.42Å
333N98.7Very high98.5Very high71 Ų7129.9 Ų29.938%0.3816%0.157SC..  trans-65.4164.9178.5-70.9-7.6000111.5V318 L336 I349V318-N333 WeakPolarHBondContact CG2-O 3.29Å; N333-L336 HydrophobicContact CB-CD1 3.98Å; N333-L336 HydrophobicContact CB-CG 4.42Å; N333-L336 WeakPolarHBondContact O-CG 3.29Å; N333-I349 WeakPolarHBondContact CB-O 3.45Å; N333-I349 VanDerWaalsContact CG-O 3.32Å; N333-I349 PolarHBondContact N-O 2.87Å
334D98.8Very high98.5Very high60 Ų6029.9 Ų29.932%0.32116%0.155SC..THydrogen-bonded Turntrans-62.4152.1-179-59.2-18.3000111R298 G315 Q316 L336R298-D334 IonicContact CZ-OD1 2.62Å; R298-D334 IonicContact CZ-OD2 2.92Å; R298-D334 VanDerWaalsContact NH1-CG 3.27Å; R298-D334 IonicContact NH1-OD1 3.54Å; R298-D334 PolarHBondContact NH1-OD1 2.69Å; R298-D334 IonicContact NH1-OD2 3.26Å; R298-D334 PolarHBondContact NH1-OD2 2.85Å; R298-D334 IonicContact NH2-OD2 3.18Å; G315-D334 WeakPolarHBondContact CA-OD1 3.23Å; Q316-D334 HydrophobicContact CB-CB 4.39Å; Q316-D334 PolarHBondContact N-OD1 3.15Å; Q316-D334 CarbonylContact O-C 3.56Å; Q316-D334 WeakPolarHBondContact O-CA 3.03Å; D334-L336 VanDerWaalsContact C-N 3.28Å; D334-L336 PolarHBondContact O-N 2.83Å
335E98.6Very high98.5Very high148 Ų14830.8 Ų30.869%0.69216%0.161SC*.THydrogen-bonded Turntrans64.522.4172.5-55.8176.1-178.800115.7Q316 W317Q316-E335 PolarHBondContact O-N 2.89Å; W317-E335 HydrophobicContact CB-CG 4.07Å
336L98.6Very high98.5Very high18 Ų1836 Ų369%0.09419%0.185CC..  trans-95.1149.5-179.6-60.9-170.6000113.8V318 R319 V332 N333 D334 L338 I349V318-L336 CarbonylContact C-O 3.5Å; V318-L336 VanDerWaalsContact CA-O 3.31Å; V318-L336 WeakPolarHBondContact CA-O 3.41Å; V318-L336 HydrophobicContact CG2-CB 4.47Å; R319-L336 PolarHBondContact N-O 2.84Å; V332-L336 HydrophobicContact CG1-CB 4.12Å; V332-L336 HydrophobicContact CG1-CD1 4.06Å; N333-L336 HydrophobicContact CB-CD1 3.98Å; N333-L336 HydrophobicContact CB-CG 4.42Å; N333-L336 WeakPolarHBondContact O-CG 3.29Å; D334-L336 VanDerWaalsContact C-N 3.28Å; D334-L336 PolarHBondContact O-N 2.83Å; L336-L338 HydrophobicContact CB-CD1 3.93Å; L336-I349 HydrophobicContact CD1-CB 4.35Å; L336-I349 HydrophobicContact CD1-CG2 3.9Å; L336-I349 WeakPolarHBondContact CD1-O 3.38Å
337Y98.7Very high98.4Very high65 Ų6539.3 Ų39.326%0.25520%0.199SC..EExtended strand (participates in β ladder)trans-111.8123.9171.1172.7-128.7000110.9R319 E321 N339 S352 V353 P354R319-Y337 HydrophobicContact CB-CD2 3.89Å; R319-Y337 HydrophobicContact CG-CD2 3.85Å; R319-Y337 HydrophobicContact CG-CE2 4.16Å; R319-Y337 CarbonylContact O-C 3.55Å; R319-Y337 WeakPolarHBondContact O-CA 3.27Å; E321-Y337 HydrophobicContact CG-CE2 3.95Å; E321-Y337 WeakPolarHBondContact OE1-CE2 3.24Å; E321-Y337 PolarHBondContact OE1-OH 2.89Å; Y337-N339 HydrophobicContact CE1-CB 3.95Å; Y337-N339 HydrophobicContact CE2-CB 4.22Å; Y337-N339 WeakPolarHBondContact OH-CB 3.33Å; Y337-N339 VanDerWaalsContact OH-CG 3.27Å; Y337-N339 PolarHBondContact OH-ND2 2.93Å; Y337-S352 PolarHBondContact N-OG 3.43Å; Y337-S352 CarbonylContact O-C 3.47Å; Y337-S352 WeakPolarHBondContact O-CA 3.18Å; Y337-S352 WeakPolarHBondContact O-CB 3.25Å; Y337-V353 PolarHBondContact O-N 3.41Å; Y337-P354 HydrophobicContact CD1-CB 4.4Å; Y337-P354 HydrophobicContact CE1-CB 4.33Å
338L98.7Very high98.4Very high0 Ų043 Ų430%023%0.225CC..EExtended strand (participates in β ladder)trans-121.2125.1175.4-75.764.8000110.6R319 M320 E321 T324 L326 V332 L336 A341 I349 V353R319-L338 PolarHBondContact O-N 2.89Å; M320-L338 CarbonylContact C-O 3.44Å; M320-L338 VanDerWaalsContact CA-O 3.32Å; M320-L338 WeakPolarHBondContact CA-O 3.12Å; M320-L338 HydrophobicContact CG-CB 4.15Å; E321-L338 PolarHBondContact N-O 2.75Å; T324-L338 HydrophobicContact CG2-CB 4.13Å; T324-L338 HydrophobicContact CG2-CD2 4.18Å; T324-L338 PolarHBondContact OG1-O 3.18Å; L326-L338 HydrophobicContact CD2-CD2 4.26Å; V332-L338 HydrophobicContact CG1-CD1 3.79Å; V332-L338 HydrophobicContact CG1-CD2 4.35Å; V332-L338 HydrophobicContact CG2-CD2 4.18Å; L336-L338 HydrophobicContact CB-CD1 3.93Å; L338-A341 HydrophobicContact CB-CB 4.37Å; L338-A341 HydrophobicContact CD2-CB 4.45Å; L338-I349 HydrophobicContact CD1-CG2 4.42Å; L338-V353 HydrophobicContact CG-CB 4.23Å; L338-V353 HydrophobicContact CG-CG2 4.15Å
339N98.4Very high98.4Very high23 Ų2342.2 Ų42.212%0.12322%0.222CC..EExtended strand (participates in β ladder)trans-122.4106.9-176.5-173.715.5000110.9N322 Y337 A341 V353 P354 E355 P356N322-N339 VanDerWaalsContact CB-OD1 3.25Å; N322-N339 WeakPolarHBondContact CB-OD1 3.13Å; N322-N339 PolarHBondContact ND2-OD1 2.79Å; Y337-N339 HydrophobicContact CE1-CB 3.95Å; Y337-N339 HydrophobicContact CE2-CB 4.22Å; Y337-N339 WeakPolarHBondContact OH-CB 3.33Å; Y337-N339 VanDerWaalsContact OH-CG 3.27Å; Y337-N339 PolarHBondContact OH-ND2 2.93Å; N339-A341 PolarHBondContact O-N 2.9Å; N339-V353 WeakPolarHBondContact CB-O 3.29Å; N339-V353 PolarHBondContact N-O 3.06Å; N339-P354 VanDerWaalsContact CB-O 3.29Å; N339-P354 WeakPolarHBondContact CB-O 3.31Å; N339-P354 PolarHBondContact ND2-O 3.03Å; N339-E355 CarbonylContact O-C 3.58Å; N339-P356 WeakPolarHBondContact O-CA 3.33Å
340G98.1Very high98.3Very high15 Ų1541.6 Ų41.616%0.15523%0.23CC..SBendtrans5729.9-179.100000114.6E321 N322 T324 P356E321-G340 PolarHBondContact O-N 3.48Å; N322-G340 WeakPolarHBondContact O-CA 3.3Å; T324-G340 PolarHBondContact OG1-N 2.92Å; G340-P356 WeakPolarHBondContact O-CA 3.45Å
341A98.1Very high98.3Very high0 Ų048.8 Ų48.80%026%0.263CS..  trans-78.5139.4-178.600000111.3T324 V325 L338 N339 V343 V353 R357T324-A341 CarbonylContact C-O 3.52Å; T324-A341 VanDerWaalsContact CA-O 3.24Å; T324-A341 WeakPolarHBondContact CA-O 2.99Å; T324-A341 HydrophobicContact CG2-CB 4.16Å; T324-A341 PolarHBondContact OG1-N 2.76Å; V325-A341 PolarHBondContact N-O 2.81Å; L338-A341 HydrophobicContact CB-CB 4.37Å; L338-A341 HydrophobicContact CD2-CB 4.45Å; N339-A341 PolarHBondContact O-N 2.9Å; A341-V343 HydrophobicContact CB-CG2 4.29Å; A341-V353 HydrophobicContact CB-CB 4.31Å; A341-V353 HydrophobicContact CB-CG1 3.81Å; A341-R357 WeakPolarHBondContact CA-O 3.32Å
342S98.2Very high98.2Very high28 Ų2848 Ų4820%0.19626%0.264CS..EExtended strand (participates in β ladder)trans-112.6100.4171.21680000108.9P16 R357 I358 I359P16-S342 WeakPolarHBondContact CD-OG 3.32Å; S342-R357 PolarHBondContact N-O 3.18Å; S342-I358 CarbonylContact O-C 3.45Å; S342-I358 VanDerWaalsContact O-CA 3.31Å; S342-I358 WeakPolarHBondContact O-CA 3.35Å; S342-I359 PolarHBondContact O-N 3.02Å
343V98.4Very high98.2Very high0 Ų048 Ų480%026%0.264CS..EExtended strand (participates in β ladder)trans-98.6122.9-172.1-172.20000110.7P16 V325 L326 G327 V330 A341 K347 I349 I359P16-V343 VanDerWaalsContact CB-O 3.32Å; P16-V343 WeakPolarHBondContact CB-O 3.41Å; P16-V343 WeakPolarHBondContact CG-O 3.38Å; V325-V343 PolarHBondContact O-N 2.9Å; L326-V343 HydrophobicContact CD2-CB 3.92Å; L326-V343 HydrophobicContact CD2-CG2 3.64Å; G327-V343 WeakPolarHBondContact CA-O 3.31Å; G327-V343 PolarHBondContact N-O 2.69Å; V330-V343 HydrophobicContact CB-CG1 4.47Å; V330-V343 HydrophobicContact CG1-CB 4.34Å; V330-V343 HydrophobicContact CG1-CG1 3.69Å; V330-V343 HydrophobicContact CG2-CB 4.39Å; V330-V343 HydrophobicContact CG2-CG1 3.87Å; A341-V343 HydrophobicContact CB-CG2 4.29Å; V343-K347 HydrophobicContact CG1-CB 3.79Å; V343-K347 HydrophobicContact CG1-CG 4.2Å; V343-I349 HydrophobicContact CG1-CD1 3.73Å; V343-I349 HydrophobicContact CG1-CG1 4.2Å; V343-I349 HydrophobicContact CG2-CD1 4.29Å; V343-I349 HydrophobicContact CG2-CG1 4.44Å; V343-I359 HydrophobicContact CG1-CB 4.3Å; V343-I359 HydrophobicContact CG1-CG2 4.5Å; V343-I359 HydrophobicContact CG2-CB 4.34Å; V343-I359 HydrophobicContact CG2-CD1 4.12Å; V343-I359 HydrophobicContact CG2-CG1 4.47Å
344L98.1Very high98.1Very high40 Ų4047.9 Ų47.921%0.20927%0.267CS..PPolyproline II helixtrans-66160.8177.9-87.968.1000111.9L19 V330 K347 I358 I359 M360L19-L344 HydrophobicContact CD1-CD2 4.06Å; L19-L344 HydrophobicContact CD1-CG 3.73Å; V330-L344 VanDerWaalsContact CG2-O 3.29Å; V330-L344 WeakPolarHBondContact CG2-O 2.9Å; L344-K347 HydrophobicContact CB-CG 4.49Å; L344-K347 WeakPolarHBondContact O-CG 3.34Å; L344-I358 HydrophobicContact CD1-CG2 3.5Å; L344-I359 WeakPolarHBondContact CB-O 3.4Å; L344-I359 VanDerWaalsContact CD1-O 3.29Å; L344-I359 WeakPolarHBondContact CD1-O 3.48Å; L344-I359 PolarHBondContact N-O 3.2Å; L344-M360 HydrophobicContact CD2-CB 4.45Å; L344-M360 HydrophobicContact CD2-CG 4.44Å
345P98.3Very high98Very high20 Ų2051.3 Ų51.313%0.1328%0.281CS..SBendtrans-57.4152.6178.3-26.735.8000114.2L19 S20 E328 K347L19-P345 HydrophobicContact CB-CG 3.98Å; L19-P345 HydrophobicContact CD1-CG 4.42Å; S20-P345 WeakPolarHBondContact OG-CG 3.44Å; E328-P345 HydrophobicContact CB-CB 4.24Å; E328-P345 CarbonylContact O-C 3.6Å; E328-P345 WeakPolarHBondContact O-CA 3.29Å; E328-P345 WeakPolarHBondContact O-CB 3.18Å; P345-K347 PolarHBondContact O-N 2.76Å
346H98.1Very high98Very high114 Ų11448.3 Ų48.353%0.52828%0.275SS..SBendtrans59.642.2173.9-48.1-67000114.1E328 D329E328-H346 PolarHBondContact O-N 3.22Å; E328-H346 IonicContact OE2-NE2 2.62Å; D329-H346 WeakPolarHBondContact CB-ND1 3.46Å; D329-H346 WeakPolarHBondContact O-CA 3.39Å; D329-H346 IonicContact OD2-CE1 3.75Å; D329-H346 IonicContact OD2-ND1 2.89Å; D329-H346 PolarHBondContact OD2-ND1 2.75Å
347K98.1Very high97.8Very high68 Ų6853.4 Ų53.430%0.29629%0.293SS..  trans-112.3148.3179.8-61.7-66.6156.3162.90111.9V330 I331 V343 L344 P345 I349 M360V330-K347 CarbonylContact C-O 3.55Å; V330-K347 WeakPolarHBondContact CA-O 3.37Å; I331-K347 PolarHBondContact N-O 2.81Å; V343-K347 HydrophobicContact CG1-CB 3.79Å; V343-K347 HydrophobicContact CG1-CG 4.2Å; L344-K347 HydrophobicContact CB-CG 4.49Å; L344-K347 WeakPolarHBondContact O-CG 3.34Å; P345-K347 PolarHBondContact O-N 2.76Å; K347-I349 HydrophobicContact CB-CD1 4.5Å; K347-M360 WeakPolarHBondContact CD-O 3.43Å; K347-M360 VanDerWaalsContact CE-O 3.25Å; K347-M360 WeakPolarHBondContact CE-O 3.33Å; K347-M360 WeakPolarHBondContact CE-OXT 3.3Å; K347-M360 PolarHBondContact NZ-O 3.38Å; K347-M360 PolarHBondContact NZ-OXT 2.8Å
348S97.8Very high97.7Very high79 Ų7955.9 Ų55.955%0.55231%0.309SS*.EExtended strand (participates in β ladder)trans-111.6122.5167.6-163.40000108.7I331I331-S348 CarbonylContact O-C 3.51Å; I331-S348 VanDerWaalsContact O-CA 3.31Å; I331-S348 WeakPolarHBondContact O-CA 3.25Å
349I97.6Very high97.6Very high8 Ų857.5 Ų57.54%0.04132%0.317CS..EExtended strand (participates in β ladder)trans-96.1113.8177.5-51.3-54.1000108.1V330 I331 V332 N333 L336 L338 V343 K347 E351 V353 I359V330-I349 HydrophobicContact CG1-CG1 4.34Å; I331-I349 PolarHBondContact O-N 3.03Å; V332-I349 HydrophobicContact CG2-CG1 4.42Å; N333-I349 WeakPolarHBondContact CB-O 3.45Å; N333-I349 VanDerWaalsContact CG-O 3.32Å; N333-I349 PolarHBondContact N-O 2.87Å; L336-I349 HydrophobicContact CD1-CB 4.35Å; L336-I349 HydrophobicContact CD1-CG2 3.9Å; L336-I349 WeakPolarHBondContact CD1-O 3.38Å; L338-I349 HydrophobicContact CD1-CG2 4.42Å; V343-I349 HydrophobicContact CG1-CD1 3.73Å; V343-I349 HydrophobicContact CG1-CG1 4.2Å; V343-I349 HydrophobicContact CG2-CD1 4.29Å; V343-I349 HydrophobicContact CG2-CG1 4.44Å; K347-I349 HydrophobicContact CB-CD1 4.5Å; I349-E351 WeakPolarHBondContact CG2-O 3.45Å; I349-V353 HydrophobicContact CG2-CG2 4.43Å; I349-I359 HydrophobicContact CD1-CB 4.43Å; I349-I359 HydrophobicContact CD1-CD1 3.8Å; I349-I359 HydrophobicContact CD1-CG2 3.77Å
350G97.2Very high97.2Very high50 Ų5064.3 Ų64.352%0.51535%0.35SS..  trans-103.4-6.7178.400000114.5
351E97.5Very high97.1Very high150 Ų15066.8 Ų66.870%0.70136%0.36SS*.SBendtrans-137.1148.8-175.9-64.2-177.2166.900111I349I349-E351 WeakPolarHBondContact CG2-O 3.45Å
352S98.1Very high97.1Very high50 Ų5070.3 Ų70.335%0.3538%0.379SS..  trans-63149.9175.6-69.20000112Y337 P354Y337-S352 PolarHBondContact N-OG 3.43Å; Y337-S352 CarbonylContact O-C 3.47Å; Y337-S352 WeakPolarHBondContact O-CA 3.18Å; Y337-S352 WeakPolarHBondContact O-CB 3.25Å; S352-P354 WeakPolarHBondContact O-CD 3.22Å
353V98.1Very high97Very high1 Ų172.7 Ų72.71%0.00639%0.389CS..BIsolated β-bridgetrans-124.580.4-177.3-1750000107.2Y337 L338 N339 A341 I349 E355 R357 I359Y337-V353 PolarHBondContact O-N 3.41Å; L338-V353 HydrophobicContact CG-CB 4.23Å; L338-V353 HydrophobicContact CG-CG2 4.15Å; N339-V353 WeakPolarHBondContact CB-O 3.29Å; N339-V353 PolarHBondContact N-O 3.06Å; A341-V353 HydrophobicContact CB-CB 4.31Å; A341-V353 HydrophobicContact CB-CG1 3.81Å; I349-V353 HydrophobicContact CG2-CG2 4.43Å; V353-E355 VanDerWaalsContact CG1-O 3.3Å; V353-E355 WeakPolarHBondContact CG1-O 3.16Å; V353-E355 PolarHBondContact O-N 3.26Å; V353-R357 HydrophobicContact CG1-CG 3.63Å; V353-I359 HydrophobicContact CG1-CD1 4.41Å; V353-I359 HydrophobicContact CG2-CD1 3.5Å
354P97.2Very high96.9Very high68 Ų6876.9 Ų76.944%0.44241%0.412SS..  trans-73.6-18.5-174.429.9-35.5000112.9Y337 N339 S352Y337-P354 HydrophobicContact CD1-CB 4.4Å; Y337-P354 HydrophobicContact CE1-CB 4.33Å; N339-P354 VanDerWaalsContact CB-O 3.29Å; N339-P354 WeakPolarHBondContact CB-O 3.31Å; N339-P354 PolarHBondContact ND2-O 3.03Å; S352-P354 WeakPolarHBondContact O-CD 3.22Å
355E97.3Very high96.8Very high133 Ų13379.3 Ų79.362%0.62143%0.425SS*.SBendtrans-119.9144.8-178.6-66.3-59.7149.100111.3N339 V353 R357N339-E355 CarbonylContact O-C 3.58Å; V353-E355 VanDerWaalsContact CG1-O 3.3Å; V353-E355 WeakPolarHBondContact CG1-O 3.16Å; V353-E355 PolarHBondContact O-N 3.26Å; E355-R357 PolarHBondContact O-N 2.73Å
356P96.8Very high96.7Very high85 Ų8583.2 Ų83.255%0.55245%0.445SS*.  trans-56.8121.3177-25.434.7000112.1N339 G340N339-P356 WeakPolarHBondContact O-CA 3.33Å; G340-P356 WeakPolarHBondContact O-CA 3.45Å
357R96.1Very high96.7Very high125 Ų12581 Ų8147%0.47244%0.439SS..  trans-153.8158.817563.3-179.1176.2-175-4.5112.1A341 S342 V353 E355 I359A341-R357 WeakPolarHBondContact CA-O 3.32Å; S342-R357 PolarHBondContact N-O 3.18Å; V353-R357 HydrophobicContact CG1-CG 3.63Å; E355-R357 PolarHBondContact O-N 2.73Å; R357-I359 HydrophobicContact CG-CG1 4.3Å
358I96.3Very high96.5Very high117 Ų11782 Ų8260%0.645%0.45SS*.EExtended strand (participates in β ladder)trans-85.9129.9169.5-59.7173.6000108.1S342 L344 M360S342-I358 CarbonylContact O-C 3.45Å; S342-I358 VanDerWaalsContact O-CA 3.31Å; S342-I358 WeakPolarHBondContact O-CA 3.35Å; L344-I358 HydrophobicContact CD1-CG2 3.5Å; I358-M360 HydrophobicContact CG2-CG 4.16Å
359I95Very high96.4Very high33 Ų3382.3 Ų82.317%0.16944%0.441CS..EExtended strand (participates in β ladder)trans-108.6112.2175.6-56.4-176.9000107.8S342 V343 L344 I349 V353 R357S342-I359 PolarHBondContact O-N 3.02Å; V343-I359 HydrophobicContact CG1-CB 4.3Å; V343-I359 HydrophobicContact CG1-CG2 4.5Å; V343-I359 HydrophobicContact CG2-CB 4.34Å; V343-I359 HydrophobicContact CG2-CD1 4.12Å; V343-I359 HydrophobicContact CG2-CG1 4.47Å; L344-I359 WeakPolarHBondContact CB-O 3.4Å; L344-I359 VanDerWaalsContact CD1-O 3.29Å; L344-I359 WeakPolarHBondContact CD1-O 3.48Å; L344-I359 PolarHBondContact N-O 3.2Å; I349-I359 HydrophobicContact CD1-CB 4.43Å; I349-I359 HydrophobicContact CD1-CD1 3.8Å; I349-I359 HydrophobicContact CD1-CG2 3.77Å; V353-I359 HydrophobicContact CG1-CD1 4.41Å; V353-I359 HydrophobicContact CG2-CD1 3.5Å; R357-I359 HydrophobicContact CG-CG1 4.3Å
360M90.1Very high96.3Very high167 Ų16789 Ų8982%0.82348%0.477SS*.  trans-88.50-168.4-70.7-173-68.300115.1L344 K347 I358L344-M360 HydrophobicContact CD2-CB 4.45Å; L344-M360 HydrophobicContact CD2-CG 4.44Å; K347-M360 WeakPolarHBondContact CD-O 3.43Å; K347-M360 VanDerWaalsContact CE-O 3.25Å; K347-M360 WeakPolarHBondContact CE-O 3.33Å; K347-M360 WeakPolarHBondContact CE-OXT 3.3Å; K347-M360 PolarHBondContact NZ-O 3.38Å; K347-M360 PolarHBondContact NZ-OXT 2.8Å; I358-M360 HydrophobicContact CG2-CG 4.16Å

Retrieved 360 of 360 residues in 1599.8 ms (Link to these results)

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