A0A087XPB6_POEFO Loading...

Peroxisomal bifunctional enzyme

AlphaFold DB , UniProt , Accession A0A087XPB6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 718 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M89Confident94Very high125 Ų12554.8 Ų54.862%0.61632%0.315SS*.  0169.20-57.8-169.3-52.500109Q17M1-Q17 PolarHBondContact N-O 3.43Å; M1-Q17 CarbonylContact O-C 3.42Å; M1-Q17 WeakPolarHBondContact O-CA 3.19Å; M1-Q17 PolarHBondContact O-N 2.94Å; M1-Q17 VanDerWaalsContact O-O 3.11Å
2A92.1Very high94.4Very high11 Ų1150.3 Ų50.39%0.09129%0.288CS..EExtended strand (participates in β ladder)trans-114.9133.2167.700000108.5I14 T15 L16 I32A2-I14 HydrophobicContact CB-CG2 4.03Å; A2-T15 WeakPolarHBondContact CA-O 3.37Å; A2-L16 HydrophobicContact CB-CD2 4.28Å; A2-I32 HydrophobicContact CB-CG1 4.18Å
3L95.8Very high94.7Very high83 Ų8348.9 Ų48.944%0.43528%0.279SS..EExtended strand (participates in β ladder)trans-100.3149.9178.9-63-179.7000110.3I14 T15L3-I14 CarbonylContact O-C 3.54Å; L3-I14 VanDerWaalsContact O-CA 3.31Å; L3-I14 WeakPolarHBondContact O-CA 3.42Å; L3-T15 PolarHBondContact N-O 3.41Å; L3-T15 PolarHBondContact O-N 3.29Å
4Y97.1Very high95Very high34 Ų3445.4 Ų45.413%0.13326%0.259CS..EExtended strand (participates in β ladder)trans-119.3135.7176.3-177.7-99000111.4M13 I14 M35 R38 A39 E42 V45Y4-M13 WeakPolarHBondContact CA-O 3.38Å; Y4-I14 HydrophobicContact CD2-CG1 4.13Å; Y4-M35 WeakPolarHBondContact CB-SD 3.49Å; Y4-M35 HydrophobicContact CD2-CB 4.24Å; Y4-M35 HydrophobicContact CG-SD 4.09Å; Y4-R38 HydrophobicContact CE1-CG 4.4Å; Y4-A39 HydrophobicContact CE2-CB 3.76Å; Y4-E42 PolarHBondContact OH-OE2 2.65Å; Y4-V45 WeakPolarHBondContact OH-CG2 3.34Å
5S96.9Very high95.2Very high45 Ų4544 Ų4432%0.31525%0.251SS..EExtended strand (participates in β ladder)trans-144.2155.7171.757.30000109.5M13S5-M13 PolarHBondContact N-O 2.6Å; S5-M13 PolarHBondContact O-N 2.79Å; S5-M13 VanDerWaalsContact OG-CE 3.28Å; S5-M13 WeakPolarHBondContact OG-CE 3.28Å
6R96.6Very high95.4Very high120 Ų12041.3 Ų41.345%0.45324%0.236SC..EExtended strand (participates in β ladder)trans-102.8125.5171.7-174.2176.664.7162.4-17.9108.5G9 V11 E44R6-G9 WeakPolarHBondContact CD-O 3.42Å; R6-G9 PolarHBondContact NH1-O 2.74Å; R6-V11 WeakPolarHBondContact CA-O 3.36Å; R6-E44 IonicContact CZ-OE2 3.4Å; R6-E44 VanDerWaalsContact NH1-CD 3.28Å; R6-E44 IonicContact NH1-OE1 2.88Å; R6-E44 IonicContact NH1-OE2 2.58Å; R6-E44 PolarHBondContact NH1-OE2 3.5Å; R6-E44 IonicContact NH2-OE2 3.67Å
7V95.5Very high95.4Very high34 Ų3442.4 Ų42.421%0.20624%0.239CC..EExtended strand (participates in β ladder)trans-120150.6179.9-59.60000110.2G9 S10 V11 M13 V181V7-G9 PolarHBondContact O-N 3.23Å; V7-S10 PolarHBondContact O-N 3.29Å; V7-V11 HydrophobicContact CG2-CB 3.84Å; V7-V11 HydrophobicContact CG2-CG1 4.04Å; V7-V11 PolarHBondContact N-O 3.1Å; V7-V11 WeakPolarHBondContact O-CB 3.28Å; V7-V11 PolarHBondContact O-N 3.05Å; V7-M13 HydrophobicContact CG1-CB 4.36Å; V7-M13 HydrophobicContact CG1-CE 3.74Å; V7-M13 HydrophobicContact CG1-SD 4.39Å; V7-M13 HydrophobicContact CG2-CB 4.2Å; V7-V181 HydrophobicContact CG2-CG1 4.13Å; V7-V181 HydrophobicContact CG2-CG2 3.89Å
8S90.2Very high95.5Very high73 Ų7341.6 Ų41.651%0.5123%0.234SC..THydrogen-bonded Turntrans50.132.6-179.6-51.30000114.1S10S8-S10 PolarHBondContact O-N 2.69Å
9G88.1Confident95.2Very high47 Ų4743.5 Ų43.549%0.48525%0.248SC..THydrogen-bonded Turntrans73.2-29.6177.700000116.4R6 V7R6-G9 WeakPolarHBondContact CD-O 3.42Å; R6-G9 PolarHBondContact NH1-O 2.74Å; V7-G9 PolarHBondContact O-N 3.23Å
10S94.8Very high95.1Very high31 Ų3146 Ų4622%0.21727%0.265CS..THydrogen-bonded Turntrans-134.10.3-169.2620000115.5V7 S8 E44 V45 K46V7-S10 PolarHBondContact O-N 3.29Å; S8-S10 PolarHBondContact O-N 2.69Å; S10-E44 WeakPolarHBondContact CA-O 3.4Å; S10-V45 CarbonylContact O-C 3.56Å; S10-V45 WeakPolarHBondContact O-CA 3.35Å; S10-K46 PolarHBondContact O-N 3.2Å
11V98.1Very high95Very high0 Ų046 Ų460%027%0.266CS..EExtended strand (participates in β ladder)trans-107.1120.3-179.8-1770000109.7R6 V7 S47 V49 V181 A184 Q185R6-V11 WeakPolarHBondContact CA-O 3.36Å; V7-V11 HydrophobicContact CG2-CB 3.84Å; V7-V11 HydrophobicContact CG2-CG1 4.04Å; V7-V11 PolarHBondContact N-O 3.1Å; V7-V11 WeakPolarHBondContact O-CB 3.28Å; V7-V11 PolarHBondContact O-N 3.05Å; V11-S47 WeakPolarHBondContact CA-O 3.39Å; V11-V49 HydrophobicContact CG1-CB 4.31Å; V11-V49 HydrophobicContact CG1-CG2 3.69Å; V11-V181 HydrophobicContact CG2-CG1 4.37Å; V11-A184 HydrophobicContact CG1-CB 4.36Å; V11-Q185 HydrophobicContact CG2-CG 3.67Å
12G98.3Very high95.4Very high0 Ų040.1 Ų40.10%024%0.238CC..EExtended strand (participates in β ladder)trans-81.3118.4170.700000110S47 V48 V49G12-S47 PolarHBondContact N-O 2.76Å; G12-V48 CarbonylContact O-C 3.59Å; G12-V48 WeakPolarHBondContact O-CA 3.25Å; G12-V48 WeakPolarHBondContact O-CG1 3.48Å; G12-V49 PolarHBondContact O-N 3.35Å
13M98.3Very high95.7Very high33 Ų3340 Ų4016%0.16324%0.236CC..EExtended strand (participates in β ladder)trans-104.7120.4180-17516966.700110.6Y4 S5 V7 V49 V177Y4-M13 WeakPolarHBondContact CA-O 3.38Å; S5-M13 PolarHBondContact N-O 2.6Å; S5-M13 PolarHBondContact O-N 2.79Å; S5-M13 VanDerWaalsContact OG-CE 3.28Å; S5-M13 WeakPolarHBondContact OG-CE 3.28Å; V7-M13 HydrophobicContact CG1-CB 4.36Å; V7-M13 HydrophobicContact CG1-CE 3.74Å; V7-M13 HydrophobicContact CG1-SD 4.39Å; V7-M13 HydrophobicContact CG2-CB 4.2Å; M13-V49 CarbonylContact C-O 3.53Å; M13-V49 WeakPolarHBondContact CA-O 3.17Å; M13-V177 HydrophobicContact SD-CG1 3.8Å
14I98.6Very high95.7Very high0 Ų036.1 Ų36.10%022%0.216CC..EExtended strand (participates in β ladder)trans-104.2111.5175.4-56.4176.8000108.4A2 L3 Y4 M35 M36 V48 V49 I50 C51A2-I14 HydrophobicContact CB-CG2 4.03Å; L3-I14 CarbonylContact O-C 3.54Å; L3-I14 VanDerWaalsContact O-CA 3.31Å; L3-I14 WeakPolarHBondContact O-CA 3.42Å; Y4-I14 HydrophobicContact CD2-CG1 4.13Å; I14-M35 HydrophobicContact CD1-CB 3.9Å; I14-M35 HydrophobicContact CG1-CB 3.94Å; I14-M35 HydrophobicContact CG2-CB 4.24Å; I14-M36 HydrophobicContact CD1-CG 3.8Å; I14-M36 HydrophobicContact CD1-SD 3.48Å; I14-M36 WeakPolarHBondContact CD1-SD 3.19Å; I14-V48 HydrophobicContact CD1-CG1 3.85Å; I14-V48 HydrophobicContact CG1-CG1 4.12Å; I14-V49 PolarHBondContact N-O 3.14Å; I14-I50 HydrophobicContact CB-CG1 4.35Å; I14-I50 WeakPolarHBondContact O-CA 3.31Å; I14-C51 PolarHBondContact O-N 3.48Å
15T98.5Very high95.6Very high24 Ų2435.1 Ų35.115%0.14721%0.214CC..EExtended strand (participates in β ladder)trans-106.5117.2-177.6-53.50000111.1A2 L3 C51 Q53A2-T15 WeakPolarHBondContact CA-O 3.37Å; L3-T15 PolarHBondContact N-O 3.41Å; L3-T15 PolarHBondContact O-N 3.29Å; T15-C51 CarbonylContact C-O 3.59Å; T15-C51 WeakPolarHBondContact CA-O 3.26Å; T15-C51 PolarHBondContact OG1-SG 3.42Å; T15-Q53 HydrophobicContact CG2-CB 4.18Å
16L98.3Very high95.5Very high0 Ų033.7 Ų33.70%021%0.205CC..EExtended strand (participates in β ladder)trans-71.2127.9175-51-174000110.4A2 N22 L24 V28 I32 I50 C51 Q53 C58 L104A2-L16 HydrophobicContact CB-CD2 4.28Å; L16-N22 HydrophobicContact CB-CB 4.02Å; L16-N22 PolarHBondContact O-OD1 3.49Å; L16-L24 HydrophobicContact CD1-CD2 4.5Å; L16-V28 HydrophobicContact CD2-CG1 4.09Å; L16-I32 HydrophobicContact CD2-CD1 3.61Å; L16-I32 HydrophobicContact CD2-CG1 3.56Å; L16-I50 HydrophobicContact CD2-CG2 4.5Å; L16-C51 WeakPolarHBondContact CG-O 3.2Å; L16-C51 PolarHBondContact N-O 3Å; L16-Q53 PolarHBondContact O-N 2.85Å; L16-C58 HydrophobicContact CD1-CB 4.04Å; L16-L104 HydrophobicContact CD1-CD2 3.93Å
17Q96.3Very high95.4Very high61 Ų6130.6 Ų30.629%0.28521%0.205SC..  trans-131.694.1179.1-179.8173.533.700110.3M1 Q53M1-Q17 PolarHBondContact N-O 3.43Å; M1-Q17 CarbonylContact O-C 3.42Å; M1-Q17 WeakPolarHBondContact O-CA 3.19Å; M1-Q17 PolarHBondContact O-N 2.94Å; M1-Q17 VanDerWaalsContact O-O 3.11Å; Q17-Q53 VanDerWaalsContact CD-OE1 3.26Å
18N95.7Very high95.4Very high28 Ų2829 Ų2915%0.1520%0.195CC..  trans-151.478.1171-176.220000110.3N22 A23 S25 V28N18-N22 PolarHBondContact N-OD1 3.34Å; N18-N22 WeakPolarHBondContact O-CA 3.44Å; N18-N22 PolarHBondContact O-N 3.01Å; N18-A23 PolarHBondContact ND2-O 3.25Å; N18-S25 PolarHBondContact ND2-OG 3.02Å; N18-V28 HydrophobicContact CB-CG2 3.62Å
19P90.8Very high95.8Very high77 Ų7725.9 Ų25.950%0.517%0.173SC..THydrogen-bonded Turntrans-52.4147.5179.1-25.234.3000112.4
20P92.4Very high96.2Very high93 Ų9327.4 Ų27.460%0.60417%0.167SC*.THydrogen-bonded Turncis-94.5-2.58.235.1-35.1000114.9K56P20-K56 WeakPolarHBondContact O-CD 3.41Å; P20-K56 PolarHBondContact O-NZ 2.92Å
21V94.6Very high96.3Very high47 Ų4726.3 Ų26.329%0.28516%0.161SC..THydrogen-bonded Turntrans-136.911.8-170.5-65.50000114.3A23 K56 G59 I96V21-A23 VanDerWaalsContact C-N 3.29Å; V21-A23 HydrophobicContact CG2-CB 4.31Å; V21-A23 PolarHBondContact O-N 2.78Å; V21-K56 HydrophobicContact CB-CD 4.45Å; V21-K56 HydrophobicContact CG1-CD 4.12Å; V21-G59 PolarHBondContact O-N 2.89Å; V21-I96 HydrophobicContact CB-CD1 4.31Å; V21-I96 HydrophobicContact CG1-CD1 4.25Å
22N97.3Very high96.3Very high2 Ų226.3 Ų26.31%0.01116%0.161CC..THydrogen-bonded Turntrans54.543.5-177.3-58.2-33.6000112.8L16 N18 Q53 K56 F57 C58L16-N22 HydrophobicContact CB-CB 4.02Å; L16-N22 PolarHBondContact O-OD1 3.49Å; N18-N22 PolarHBondContact N-OD1 3.34Å; N18-N22 WeakPolarHBondContact O-CA 3.44Å; N18-N22 PolarHBondContact O-N 3.01Å; N22-Q53 PolarHBondContact ND2-N 2.89Å; N22-Q53 PolarHBondContact ND2-O 2.82Å; N22-K56 PolarHBondContact ND2-O 2.75Å; N22-F57 WeakPolarHBondContact CB-O 3.15Å; N22-C58 PolarHBondContact O-SG 2.86Å; N22-C58 VanDerWaalsContact O-SG 3.34Å
23A96.7Very high96.3Very high8 Ų827.3 Ų27.37%0.06617%0.167CC..  trans-60.1144.1179.800000111.2N18 V21 S25 G60 D62N18-A23 PolarHBondContact ND2-O 3.25Å; V21-A23 VanDerWaalsContact C-N 3.29Å; V21-A23 HydrophobicContact CG2-CB 4.31Å; V21-A23 PolarHBondContact O-N 2.78Å; A23-S25 PolarHBondContact O-N 3.13Å; A23-G60 CarbonylContact C-O 3.54Å; A23-G60 WeakPolarHBondContact CA-O 3.31Å; A23-D62 HydrophobicContact CB-CB 4.03Å
24L96.3Very high96.2Very high1 Ų129 Ų291%0.00518%0.176CC..BIsolated β-bridgetrans-76.569.2178.8-59.4175.8000110.4L16 V28 R29 I32 C58 G60 L75 G100 L104L16-L24 HydrophobicContact CD1-CD2 4.5Å; L24-V28 HydrophobicContact CD2-CG1 3.97Å; L24-R29 HydrophobicContact CB-CG 4.13Å; L24-R29 PolarHBondContact O-NH1 3.43Å; L24-I32 HydrophobicContact CD2-CD1 3.86Å; L24-C58 VanDerWaalsContact CG-SG 3.56Å; L24-G60 PolarHBondContact N-O 2.97Å; L24-L75 HydrophobicContact CD1-CD1 3.8Å; L24-L75 HydrophobicContact CD1-CD2 4.33Å; L24-G100 WeakPolarHBondContact CD1-O 3.27Å; L24-L104 HydrophobicContact CD2-CD2 4.19Å
25S95.2Very high96.2Very high14 Ų1430.8 Ų30.810%0.09819%0.185CC..  trans-70.8166168.861.10000111.4N18 A23 A27 V28 R29 E65N18-S25 PolarHBondContact ND2-OG 3.02Å; A23-S25 PolarHBondContact O-N 3.13Å; S25-A27 PolarHBondContact O-N 2.97Å; S25-V28 PolarHBondContact O-N 3.45Å; S25-R29 WeakPolarHBondContact O-CG 3.32Å; S25-R29 PolarHBondContact O-N 2.88Å; S25-E65 WeakPolarHBondContact CA-OE1 3.3Å; S25-E65 VanDerWaalsContact CB-OE1 3.24Å; S25-E65 WeakPolarHBondContact CB-OE1 3.39Å
26A94.2Very high96.2Very high14 Ų1429.7 Ų29.712%0.11618%0.178CC..Hα-helixtrans-48.7-45.8178.500000112.8V28 R29 Q30 E65 T71A26-V28 PolarHBondContact O-N 3.35Å; A26-R29 PolarHBondContact O-N 2.8Å; A26-Q30 WeakPolarHBondContact O-CB 3.46Å; A26-Q30 PolarHBondContact O-N 2.92Å; A26-E65 PolarHBondContact N-OE1 3.33Å; A26-T71 VanDerWaalsContact CB-O 3.25Å; A26-T71 WeakPolarHBondContact CB-O 3.32Å; A26-T71 WeakPolarHBondContact CB-OG1 3.46Å
27A95Very high96.2Very high56 Ų5634.4 Ų34.446%0.46320%0.2SC..Hα-helixtrans-68.3-31.517900000113.6S25 G31S25-A27 PolarHBondContact O-N 2.97Å; A27-G31 PolarHBondContact O-N 2.99Å; A27-G31 VanDerWaalsContact O-N 3.13Å
28V96.7Very high96.2Very high0 Ų037.3 Ų37.30%021%0.209CC..Hα-helixtrans-73-44.3174.3173.50000110.3L16 N18 L24 S25 A26 Q30 G31 I32L16-V28 HydrophobicContact CD2-CG1 4.09Å; N18-V28 HydrophobicContact CB-CG2 3.62Å; L24-V28 HydrophobicContact CD2-CG1 3.97Å; S25-V28 PolarHBondContact O-N 3.45Å; A26-V28 PolarHBondContact O-N 3.35Å; V28-Q30 PolarHBondContact O-N 2.79Å; V28-G31 PolarHBondContact O-N 3.14Å; V28-I32 HydrophobicContact CG1-CD1 3.95Å; V28-I32 HydrophobicContact CG1-CG1 4.44Å; V28-I32 WeakPolarHBondContact O-CG1 3.23Å; V28-I32 PolarHBondContact O-N 3.29Å
29R96.9Very high96.3Very high8 Ų836 Ų363%0.0320%0.201CC..Hα-helixtrans-59.8-46.3177.7-62.9-171.2-59.9-92.75.5111.3L24 S25 A26 I32 V33 E65 T71 P73 M78L24-R29 HydrophobicContact CB-CG 4.13Å; L24-R29 PolarHBondContact O-NH1 3.43Å; S25-R29 WeakPolarHBondContact O-CG 3.32Å; S25-R29 PolarHBondContact O-N 2.88Å; A26-R29 PolarHBondContact O-N 2.8Å; R29-I32 PolarHBondContact O-N 3.41Å; R29-V33 WeakPolarHBondContact O-CG2 3.48Å; R29-V33 PolarHBondContact O-N 3.03Å; R29-V33 VanDerWaalsContact O-N 3.13Å; R29-E65 IonicContact CZ-OE2 2.67Å; R29-E65 IonicContact NH1-OE2 3.18Å; R29-E65 PolarHBondContact NH1-OE2 3.36Å; R29-E65 IonicContact NH2-OE2 3.6Å; R29-E65 PolarHBondContact NH2-OE2 3.3Å; R29-E65 VanDerWaalsContact NH2-OE2 3.14Å; R29-T71 PolarHBondContact NH2-O 2.83Å; R29-P73 HydrophobicContact CB-CG 3.93Å; R29-P73 WeakPolarHBondContact CD-O 3.24Å; R29-P73 PolarHBondContact NE-O 3.5Å; R29-M78 HydrophobicContact CB-CE 4.48Å; R29-M78 HydrophobicContact CB-SD 4.08Å; R29-M78 HydrophobicContact CG-CE 4.19Å; R29-M78 HydrophobicContact CG-SD 4.43Å
30Q96.9Very high96.6Very high78 Ų7834.2 Ų34.236%0.36419%0.188SC..Hα-helixtrans-59.3-48.6175-171.862.555.100111.5A26 V28 I32 V33 D34 P73A26-Q30 WeakPolarHBondContact O-CB 3.46Å; A26-Q30 PolarHBondContact O-N 2.92Å; V28-Q30 PolarHBondContact O-N 2.79Å; Q30-I32 VanDerWaalsContact C-N 3.31Å; Q30-I32 PolarHBondContact O-N 2.96Å; Q30-V33 PolarHBondContact O-N 2.76Å; Q30-V33 VanDerWaalsContact O-N 3.14Å; Q30-D34 PolarHBondContact NE2-OD1 2.93Å; Q30-D34 PolarHBondContact NE2-OD2 3.17Å; Q30-D34 VanDerWaalsContact O-CG 3.23Å; Q30-D34 PolarHBondContact O-N 2.97Å; Q30-P73 HydrophobicContact CB-CG 4.36Å
31G97.1Very high96.8Very high9 Ų933.9 Ų33.99%0.09319%0.187CC..Hα-helixtrans-58.4-40.3177.800000113.3A27 V28 M35A27-G31 PolarHBondContact O-N 2.99Å; A27-G31 VanDerWaalsContact O-N 3.13Å; V28-G31 PolarHBondContact O-N 3.14Å; G31-M35 VanDerWaalsContact O-CB 3.31Å; G31-M35 WeakPolarHBondContact O-CB 3.32Å; G31-M35 WeakPolarHBondContact O-CG 3.41Å; G31-M35 PolarHBondContact O-N 2.88Å
32I97.9Very high96.9Very high0 Ų033.6 Ų33.60%018%0.183CC..Hα-helixtrans-61.9-48.1176.1-67.6162.9000110.4A2 L16 L24 V28 R29 Q30 M35 M36 M78 I82 L104A2-I32 HydrophobicContact CB-CG1 4.18Å; L16-I32 HydrophobicContact CD2-CD1 3.61Å; L16-I32 HydrophobicContact CD2-CG1 3.56Å; L24-I32 HydrophobicContact CD2-CD1 3.86Å; V28-I32 HydrophobicContact CG1-CD1 3.95Å; V28-I32 HydrophobicContact CG1-CG1 4.44Å; V28-I32 WeakPolarHBondContact O-CG1 3.23Å; V28-I32 PolarHBondContact O-N 3.29Å; R29-I32 PolarHBondContact O-N 3.41Å; Q30-I32 VanDerWaalsContact C-N 3.31Å; Q30-I32 PolarHBondContact O-N 2.96Å; I32-M35 PolarHBondContact O-N 2.81Å; I32-M36 HydrophobicContact CG2-CG 4.26Å; I32-M36 VanDerWaalsContact O-CB 3.3Å; I32-M36 WeakPolarHBondContact O-CB 3.48Å; I32-M36 VanDerWaalsContact O-CG 3.24Å; I32-M36 WeakPolarHBondContact O-CG 3.47Å; I32-M36 PolarHBondContact O-N 2.85Å; I32-M78 HydrophobicContact CB-SD 3.62Å; I32-M78 HydrophobicContact CD1-CE 4.01Å; I32-M78 HydrophobicContact CD1-SD 3.82Å; I32-M78 HydrophobicContact CG1-SD 4.34Å; I32-M78 HydrophobicContact CG2-CG 4.02Å; I32-M78 HydrophobicContact CG2-SD 3.61Å; I32-I82 HydrophobicContact CG2-CD1 4.03Å; I32-L104 HydrophobicContact CD1-CD2 4.14Å
33V97.9Very high96.8Very high20 Ų2038.3 Ų38.312%0.12121%0.214CC..Hα-helixtrans-58.6-50.3179.4170.30000110.8R29 Q30 M35 M36 H37 P73 M78 L81R29-V33 WeakPolarHBondContact O-CG2 3.48Å; R29-V33 PolarHBondContact O-N 3.03Å; R29-V33 VanDerWaalsContact O-N 3.13Å; Q30-V33 PolarHBondContact O-N 2.76Å; Q30-V33 VanDerWaalsContact O-N 3.14Å; V33-M35 PolarHBondContact O-N 2.81Å; V33-M36 PolarHBondContact O-N 2.91Å; V33-H37 PolarHBondContact O-CD2 3.39Å; V33-H37 PolarHBondContact O-N 3.03Å; V33-P73 HydrophobicContact CG2-CB 4.29Å; V33-P73 HydrophobicContact CG2-CG 4.04Å; V33-M78 HydrophobicContact CG2-CB 4.06Å; V33-M78 HydrophobicContact CG2-CG 3.77Å; V33-M78 HydrophobicContact CG2-SD 4.22Å; V33-L81 HydrophobicContact CB-CD2 4.47Å; V33-L81 HydrophobicContact CG1-CD2 4.12Å; V33-L81 HydrophobicContact CG2-CD2 4.42Å
34D97.9Very high96.8Very high68 Ų6843.6 Ų43.636%0.36424%0.237SC..Hα-helixtrans-61.7-45.8-178.6-62.3-19.1000111.4Q30 H37 R38Q30-D34 PolarHBondContact NE2-OD1 2.93Å; Q30-D34 PolarHBondContact NE2-OD2 3.17Å; Q30-D34 VanDerWaalsContact O-CG 3.23Å; Q30-D34 PolarHBondContact O-N 2.97Å; D34-H37 PolarHBondContact O-N 3.31Å; D34-R38 WeakPolarHBondContact O-CB 3.39Å; D34-R38 PolarHBondContact O-N 2.76Å
35M98Very high96.8Very high39 Ų3943.6 Ų43.619%0.19224%0.237CC..Hα-helixtrans-72.8-29.6-177.7-62.5-50.698.400112.1Y4 I14 G31 I32 V33 A39Y4-M35 WeakPolarHBondContact CB-SD 3.49Å; Y4-M35 HydrophobicContact CD2-CB 4.24Å; Y4-M35 HydrophobicContact CG-SD 4.09Å; I14-M35 HydrophobicContact CD1-CB 3.9Å; I14-M35 HydrophobicContact CG1-CB 3.94Å; I14-M35 HydrophobicContact CG2-CB 4.24Å; G31-M35 VanDerWaalsContact O-CB 3.31Å; G31-M35 WeakPolarHBondContact O-CB 3.32Å; G31-M35 WeakPolarHBondContact O-CG 3.41Å; G31-M35 PolarHBondContact O-N 2.88Å; I32-M35 PolarHBondContact O-N 2.81Å; V33-M35 PolarHBondContact O-N 2.81Å; M35-A39 VanDerWaalsContact O-CB 3.27Å; M35-A39 WeakPolarHBondContact O-CB 3.39Å; M35-A39 PolarHBondContact O-N 2.93Å
36M98.2Very high97Very high0 Ų047.9 Ų47.90%025%0.254CS..Hα-helixtrans-65.3-47.8169.8-78.8-60.1-55.700111.3I14 I32 V33 R38 A39 L40 V48 I50 L81 I82 A85 V89I14-M36 HydrophobicContact CD1-CG 3.8Å; I14-M36 HydrophobicContact CD1-SD 3.48Å; I14-M36 WeakPolarHBondContact CD1-SD 3.19Å; I32-M36 HydrophobicContact CG2-CG 4.26Å; I32-M36 VanDerWaalsContact O-CB 3.3Å; I32-M36 WeakPolarHBondContact O-CB 3.48Å; I32-M36 VanDerWaalsContact O-CG 3.24Å; I32-M36 WeakPolarHBondContact O-CG 3.47Å; I32-M36 PolarHBondContact O-N 2.85Å; V33-M36 PolarHBondContact O-N 2.91Å; M36-R38 VanDerWaalsContact C-N 3.32Å; M36-R38 PolarHBondContact O-N 3.28Å; M36-A39 PolarHBondContact O-N 3.37Å; M36-L40 HydrophobicContact CE-CD1 4.37Å; M36-L40 HydrophobicContact CE-CG 4.49Å; M36-L40 WeakPolarHBondContact O-CB 3.4Å; M36-L40 VanDerWaalsContact O-CG 3.24Å; M36-L40 WeakPolarHBondContact O-CG 3.4Å; M36-L40 PolarHBondContact O-N 3.01Å; M36-V48 HydrophobicContact SD-CG1 4.04Å; M36-I50 HydrophobicContact SD-CD1 4.31Å; M36-L81 HydrophobicContact CB-CD2 4.11Å; M36-I82 HydrophobicContact CE-CG1 4.3Å; M36-I82 HydrophobicContact CG-CG1 4.08Å; M36-I82 HydrophobicContact SD-CG1 4.32Å; M36-A85 HydrophobicContact CE-CB 4.11Å; M36-V89 HydrophobicContact CE-CG2 3.99Å
37H98Very high97.2Very high99 Ų9947.2 Ų47.246%0.45825%0.249SC..Hα-helixtrans-58.2-45.3175.9-76.7-56.8000111.8V33 D34 L40 S41V33-H37 PolarHBondContact O-CD2 3.39Å; V33-H37 PolarHBondContact O-N 3.03Å; D34-H37 PolarHBondContact O-N 3.31Å; H37-L40 PolarHBondContact O-N 2.92Å; H37-S41 PolarHBondContact O-N 3.47Å; H37-S41 PolarHBondContact O-OG 3.32Å
38R97.4Very high97.4Very high122 Ų12244.6 Ų44.646%0.4623%0.227SC..Hα-helixtrans-56.6-55.4174.3-179.9177.9175.41730.6111.7Y4 D34 M36 L40 S41 E42Y4-R38 HydrophobicContact CE1-CG 4.4Å; D34-R38 WeakPolarHBondContact O-CB 3.39Å; D34-R38 PolarHBondContact O-N 2.76Å; M36-R38 VanDerWaalsContact C-N 3.32Å; M36-R38 PolarHBondContact O-N 3.28Å; R38-L40 PolarHBondContact O-N 3.17Å; R38-S41 PolarHBondContact O-N 3.18Å; R38-S41 PolarHBondContact O-OG 2.83Å; R38-E42 WeakPolarHBondContact CG-OE1 3.49Å; R38-E42 IonicContact CZ-OE1 3.55Å; R38-E42 IonicContact NE-OE1 2.6Å; R38-E42 PolarHBondContact NE-OE1 2.9Å; R38-E42 IonicContact NH2-OE1 3.41Å; R38-E42 PolarHBondContact NH2-OE1 2.95Å; R38-E42 PolarHBondContact O-N 3.31Å; R38-E42 VanDerWaalsContact O-N 3.1Å
39A97.1Very high97.5Very high0 Ų044.6 Ų44.60%023%0.227CC..Hα-helixtrans-59.3-34.8-177.700000113Y4 M35 M36 V45 V48 K87Y4-A39 HydrophobicContact CE2-CB 3.76Å; M35-A39 VanDerWaalsContact O-CB 3.27Å; M35-A39 WeakPolarHBondContact O-CB 3.39Å; M35-A39 PolarHBondContact O-N 2.93Å; M36-A39 PolarHBondContact O-N 3.37Å; A39-V45 HydrophobicContact CB-CG1 4.43Å; A39-V48 HydrophobicContact CB-CG2 3.75Å; A39-K87 PolarHBondContact O-NZ 3.48Å
40L96.3Very high97.5Very high40 Ų4044.2 Ų44.221%0.20923%0.225CC..Hα-helixtrans-72.5-35.5176.7-67.7175.3000112.3M36 H37 R38 A85 K87M36-L40 HydrophobicContact CE-CD1 4.37Å; M36-L40 HydrophobicContact CE-CG 4.49Å; M36-L40 WeakPolarHBondContact O-CB 3.4Å; M36-L40 VanDerWaalsContact O-CG 3.24Å; M36-L40 WeakPolarHBondContact O-CG 3.4Å; M36-L40 PolarHBondContact O-N 3.01Å; H37-L40 PolarHBondContact O-N 2.92Å; R38-L40 PolarHBondContact O-N 3.17Å; L40-A85 HydrophobicContact CD1-CB 4.24Å; L40-A85 HydrophobicContact CD2-CB 3.93Å; L40-K87 HydrophobicContact CD2-CB 4.1Å; L40-K87 HydrophobicContact CD2-CD 4.16Å; L40-K87 HydrophobicContact CD2-CG 4.01Å; L40-K87 VanDerWaalsContact O-CE 3.32Å; L40-K87 WeakPolarHBondContact O-CE 3.43Å; L40-K87 PolarHBondContact O-NZ 3.41Å
41S97.1Very high97.6Very high86 Ų8640.7 Ų40.760%0.60121%0.209SC*.Hα-helixtrans-73.4-29178.571.20000114.4H37 R38 P43H37-S41 PolarHBondContact O-N 3.47Å; H37-S41 PolarHBondContact O-OG 3.32Å; R38-S41 PolarHBondContact O-N 3.18Å; R38-S41 PolarHBondContact O-OG 2.83Å; S41-P43 VanDerWaalsContact O-CD 3.28Å; S41-P43 WeakPolarHBondContact O-CD 3.42Å
42E96.7Very high97.7Very high41 Ų4140.8 Ų40.819%0.19221%0.21CC..  trans-75.6116.1-176.6-73.1-176.4-164.300111.9Y4 R38 E44 V45 K87Y4-E42 PolarHBondContact OH-OE2 2.65Å; R38-E42 WeakPolarHBondContact CG-OE1 3.49Å; R38-E42 IonicContact CZ-OE1 3.55Å; R38-E42 IonicContact NE-OE1 2.6Å; R38-E42 PolarHBondContact NE-OE1 2.9Å; R38-E42 IonicContact NH2-OE1 3.41Å; R38-E42 PolarHBondContact NH2-OE1 2.95Å; R38-E42 PolarHBondContact O-N 3.31Å; R38-E42 VanDerWaalsContact O-N 3.1Å; E42-E44 VanDerWaalsContact C-N 3.28Å; E42-E44 PolarHBondContact O-N 3.49Å; E42-V45 HydrophobicContact CB-CB 4.2Å; E42-V45 HydrophobicContact CB-CG2 3.74Å; E42-V45 PolarHBondContact O-N 2.82Å; E42-V45 WeakPolarHBondContact OE2-CG2 3.44Å; E42-K87 PolarHBondContact O-NZ 3.4Å
43P95.3Very high97.5Very high101 Ų10144.1 Ų44.166%0.65623%0.226SC*.THydrogen-bonded Turntrans-66.2-28.5-176.2-22.834.7000114S41 V45 K46S41-P43 VanDerWaalsContact O-CD 3.28Å; S41-P43 WeakPolarHBondContact O-CD 3.42Å; P43-V45 VanDerWaalsContact C-N 3.27Å; P43-V45 PolarHBondContact O-N 2.95Å; P43-K46 WeakPolarHBondContact O-CE 3.34Å; P43-K46 PolarHBondContact O-NZ 3.13Å
44E96.2Very high97.3Very high119 Ų11948.3 Ų48.356%0.55625%0.248SC*.THydrogen-bonded Turntrans-69.4-27.7179.1-59.1-173.3133.600111.9R6 S10 E42 K46R6-E44 IonicContact CZ-OE2 3.4Å; R6-E44 VanDerWaalsContact NH1-CD 3.28Å; R6-E44 IonicContact NH1-OE1 2.88Å; R6-E44 IonicContact NH1-OE2 2.58Å; R6-E44 PolarHBondContact NH1-OE2 3.5Å; R6-E44 IonicContact NH2-OE2 3.67Å; S10-E44 WeakPolarHBondContact CA-O 3.4Å; E42-E44 VanDerWaalsContact C-N 3.28Å; E42-E44 PolarHBondContact O-N 3.49Å; E44-K46 PolarHBondContact O-N 3.46Å
45V97.9Very high97Very high1 Ų147.3 Ų47.31%0.00625%0.253CS..  trans-78.9121.5176.5178.30000109.1Y4 S10 A39 E42 P43 S47 V48 K87Y4-V45 WeakPolarHBondContact OH-CG2 3.34Å; S10-V45 CarbonylContact O-C 3.56Å; S10-V45 WeakPolarHBondContact O-CA 3.35Å; A39-V45 HydrophobicContact CB-CG1 4.43Å; E42-V45 HydrophobicContact CB-CB 4.2Å; E42-V45 HydrophobicContact CB-CG2 3.74Å; E42-V45 PolarHBondContact O-N 2.82Å; E42-V45 WeakPolarHBondContact OE2-CG2 3.44Å; P43-V45 VanDerWaalsContact C-N 3.27Å; P43-V45 PolarHBondContact O-N 2.95Å; V45-S47 WeakPolarHBondContact CG1-O 3.4Å; V45-V48 HydrophobicContact CG1-CG2 4.41Å; V45-K87 HydrophobicContact CG1-CD 4.47Å; V45-K87 VanDerWaalsContact O-CD 3.32Å; V45-K87 WeakPolarHBondContact O-CD 3.45Å; V45-K87 VanDerWaalsContact O-CE 3.23Å; V45-K87 WeakPolarHBondContact O-CE 3.42Å; V45-K87 PolarHBondContact O-NZ 3.32Å
46K98Very high97Very high105 Ų10548.8 Ų48.846%0.45726%0.259SS..  trans-108-22.4-178.9-56.7-53.7-174.7-170.20113.4S10 P43 E44 P88 T188S10-K46 PolarHBondContact O-N 3.2Å; P43-K46 WeakPolarHBondContact O-CE 3.34Å; P43-K46 PolarHBondContact O-NZ 3.13Å; E44-K46 PolarHBondContact O-N 3.46Å; K46-P88 WeakPolarHBondContact O-CD 3.24Å; K46-T188 HydrophobicContact CB-CG2 3.6Å; K46-T188 HydrophobicContact CG-CG2 4.29Å
47S98.4Very high97Very high0 Ų048.8 Ų48.80%026%0.259CS..EExtended strand (participates in β ladder)trans-151.2164.8174.655.30000110.8V11 G12 V45 P88 A184V11-S47 WeakPolarHBondContact CA-O 3.39Å; G12-S47 PolarHBondContact N-O 2.76Å; V45-S47 WeakPolarHBondContact CG1-O 3.4Å; S47-P88 CarbonylContact C-O 3.59Å; S47-P88 WeakPolarHBondContact CA-O 3.3Å; S47-A184 WeakPolarHBondContact CB-O 3.48Å; S47-A184 WeakPolarHBondContact OG-CB 3.42Å; S47-A184 PolarHBondContact OG-O 3.28Å
48V98.7Very high97Very high0 Ų044 Ų440%024%0.237CC..EExtended strand (participates in β ladder)trans-124.7138.5-176.6-177.30000110.1G12 I14 M36 A39 V45 I50 P88 V89 V90G12-V48 CarbonylContact O-C 3.59Å; G12-V48 WeakPolarHBondContact O-CA 3.25Å; G12-V48 WeakPolarHBondContact O-CG1 3.48Å; I14-V48 HydrophobicContact CD1-CG1 3.85Å; I14-V48 HydrophobicContact CG1-CG1 4.12Å; M36-V48 HydrophobicContact SD-CG1 4.04Å; A39-V48 HydrophobicContact CB-CG2 3.75Å; V45-V48 HydrophobicContact CG1-CG2 4.41Å; V48-I50 HydrophobicContact CG1-CG1 4.44Å; V48-P88 PolarHBondContact N-O 2.85Å; V48-V89 HydrophobicContact CB-CG1 4.26Å; V48-V89 HydrophobicContact CB-CG2 4.26Å; V48-V89 HydrophobicContact CG1-CG1 4.33Å; V48-V89 CarbonylContact O-C 3.58Å; V48-V89 VanDerWaalsContact O-CA 3.32Å; V48-V89 WeakPolarHBondContact O-CA 3.47Å; V48-V90 PolarHBondContact O-N 3.07Å
49V98.8Very high97Very high0 Ų039.4 Ų39.40%023%0.227CC..EExtended strand (participates in β ladder)trans-114127.4168.6173.70000108.8V11 G12 M13 I14 V90 A92 A180 V181 A184V11-V49 HydrophobicContact CG1-CB 4.31Å; V11-V49 HydrophobicContact CG1-CG2 3.69Å; G12-V49 PolarHBondContact O-N 3.35Å; M13-V49 CarbonylContact C-O 3.53Å; M13-V49 WeakPolarHBondContact CA-O 3.17Å; I14-V49 PolarHBondContact N-O 3.14Å; V49-V90 CarbonylContact C-O 3.53Å; V49-V90 VanDerWaalsContact CA-O 3.3Å; V49-V90 WeakPolarHBondContact CA-O 3.08Å; V49-V90 HydrophobicContact CG2-CB 4.35Å; V49-A92 HydrophobicContact CG1-CB 3.96Å; V49-A180 HydrophobicContact CG1-CB 4.11Å; V49-A180 HydrophobicContact CG2-CB 4.42Å; V49-V181 HydrophobicContact CG2-CG2 4.14Å; V49-A184 HydrophobicContact CG2-CB 3.8Å
50I98.8Very high96.9Very high0 Ų039.6 Ų39.60%023%0.229CC..EExtended strand (participates in β ladder)trans-102.5127.1169.2-55-177.1000107.6I14 L16 M36 V48 F57 I82 V89 V90 A92 L104I14-I50 HydrophobicContact CB-CG1 4.35Å; I14-I50 WeakPolarHBondContact O-CA 3.31Å; L16-I50 HydrophobicContact CD2-CG2 4.5Å; M36-I50 HydrophobicContact SD-CD1 4.31Å; V48-I50 HydrophobicContact CG1-CG1 4.44Å; I50-F57 HydrophobicContact CB-CE2 4.47Å; I50-F57 HydrophobicContact CG2-CE2 4.01Å; I50-F57 HydrophobicContact CG2-CZ 4.23Å; I50-F57 WeakPolarHBondContact O-CE2 3.48Å; I50-I82 HydrophobicContact CD1-CD1 4.04Å; I50-I82 HydrophobicContact CD1-CG2 4.47Å; I50-V89 HydrophobicContact CD1-CG1 3.89Å; I50-V89 HydrophobicContact CG1-CG1 3.98Å; I50-V90 PolarHBondContact N-O 3.43Å; I50-A92 PolarHBondContact O-N 2.76Å; I50-L104 HydrophobicContact CD1-CD1 4.43Å; I50-L104 HydrophobicContact CG2-CD2 4.41Å
51C98.6Very high96.8Very high5 Ų539.2 Ų39.23%0.03423%0.231CC..EExtended strand (participates in β ladder)trans-141.2173.1179.5690000110.7I14 T15 L16 A92 V177I14-C51 PolarHBondContact O-N 3.48Å; T15-C51 CarbonylContact C-O 3.59Å; T15-C51 WeakPolarHBondContact CA-O 3.26Å; T15-C51 PolarHBondContact OG1-SG 3.42Å; L16-C51 WeakPolarHBondContact CG-O 3.2Å; L16-C51 PolarHBondContact N-O 3Å; C51-A92 HydrophobicContact CB-CB 3.92Å; C51-V177 HydrophobicContact CB-CG1 4.5Å; C51-V177 HydrophobicContact CB-CG2 3.87Å
52G97.9Very high96.5Very high11 Ų1135.7 Ų35.711%0.11321%0.206CC..EExtended strand (participates in β ladder)trans-124.8149.5175.400000112.8K56G52-K56 CarbonylContact C-O 3.55Å; G52-K56 VanDerWaalsContact C-O 3.28Å; G52-K56 WeakPolarHBondContact CA-O 3.34Å
53Q95Very high96Very high69 Ų6935.2 Ų35.232%0.32220%0.204SC..SBendtrans-76.4160.1178.7-156.6-175.819.300111.7T15 L16 Q17 N22 G55T15-Q53 HydrophobicContact CG2-CB 4.18Å; L16-Q53 PolarHBondContact O-N 2.85Å; Q17-Q53 VanDerWaalsContact CD-OE1 3.26Å; N22-Q53 PolarHBondContact ND2-N 2.89Å; N22-Q53 PolarHBondContact ND2-O 2.82Å; Q53-G55 PolarHBondContact O-N 2.75Å
54N93.1Very high95.5Very high108 Ų10837.7 Ų37.758%0.57820%0.2SC*.THydrogen-bonded Turntrans6337.2172-51.6-49.2000114K56N54-K56 VanDerWaalsContact C-N 3.29Å; N54-K56 PolarHBondContact O-N 3.41Å
55G92.5Very high95Very high47 Ų4733.8 Ų33.849%0.48518%0.182SC..THydrogen-bonded Turntrans68.923172.800000114.5Q53 E94 G95Q53-G55 PolarHBondContact O-N 2.75Å; G55-E94 CarbonylContact O-C 3.58Å; G55-G95 VanDerWaalsContact O-CA 3.31Å; G55-G95 WeakPolarHBondContact O-CA 3.41Å; G55-G95 PolarHBondContact O-N 3.25Å
56K96.8Very high94.3Very high70 Ų7035 Ų3530%0.30419%0.188SC..  trans-138.8133177.4-68.3174.1-175.9156.30109.8P20 V21 N22 G52 N54 E94 I96P20-K56 WeakPolarHBondContact O-CD 3.41Å; P20-K56 PolarHBondContact O-NZ 2.92Å; V21-K56 HydrophobicContact CB-CD 4.45Å; V21-K56 HydrophobicContact CG1-CD 4.12Å; N22-K56 PolarHBondContact ND2-O 2.75Å; G52-K56 CarbonylContact C-O 3.55Å; G52-K56 VanDerWaalsContact C-O 3.28Å; G52-K56 WeakPolarHBondContact CA-O 3.34Å; N54-K56 VanDerWaalsContact C-N 3.29Å; N54-K56 PolarHBondContact O-N 3.41Å; K56-E94 CarbonylContact C-O 3.49Å; K56-E94 VanDerWaalsContact CA-O 3.27Å; K56-E94 WeakPolarHBondContact CA-O 3.19Å; K56-I96 HydrophobicContact CB-CG1 4.3Å; K56-I96 HydrophobicContact CD-CD1 4.47Å; K56-I96 HydrophobicContact CD-CG1 4.48Å; K56-I96 HydrophobicContact CG-CG1 4.29Å
57F98.5Very high93Very high0 Ų034 Ų340%021%0.207CC..SBendtrans-71.2-72.8173.4179.4-102.5000110.8N22 I50 A91 A92 I93 E94 I96 A97 G101 L104 A105N22-F57 WeakPolarHBondContact CB-O 3.15Å; I50-F57 HydrophobicContact CB-CE2 4.47Å; I50-F57 HydrophobicContact CG2-CE2 4.01Å; I50-F57 HydrophobicContact CG2-CZ 4.23Å; I50-F57 WeakPolarHBondContact O-CE2 3.48Å; F57-A91 HydrophobicContact CE2-CB 4.18Å; F57-A91 HydrophobicContact CZ-CB 4.08Å; F57-A92 VanDerWaalsContact CD2-O 3.26Å; F57-A92 WeakPolarHBondContact CD2-O 3.16Å; F57-I93 HydrophobicContact CB-CG2 4.16Å; F57-I93 HydrophobicContact CD2-CG1 4.47Å; F57-I93 HydrophobicContact CG-CG1 4.32Å; F57-E94 PolarHBondContact N-O 3.48Å; F57-I96 WeakPolarHBondContact CB-O 3.1Å; F57-I96 PolarHBondContact N-O 2.87Å; F57-A97 HydrophobicContact CD1-CB 3.86Å; F57-G101 WeakPolarHBondContact CE1-O 3.2Å; F57-L104 HydrophobicContact CE1-CD2 4.26Å; F57-L104 HydrophobicContact CE1-CG 4.47Å; F57-L104 HydrophobicContact CZ-CD2 4.08Å; F57-L104 HydrophobicContact CZ-CG 4.25Å; F57-A105 HydrophobicContact CE1-CB 4Å; F57-A105 HydrophobicContact CZ-CB 4.35Å
58C98.3Very high91.8Very high0 Ų037.1 Ų37.10%023%0.233CC..BIsolated β-bridgetrans-161.5127.5-178.5-179.90000112L16 N22 L24 G60 I96 A97 L98 G101L16-C58 HydrophobicContact CD1-CB 4.04Å; N22-C58 PolarHBondContact O-SG 2.86Å; N22-C58 VanDerWaalsContact O-SG 3.34Å; L24-C58 VanDerWaalsContact CG-SG 3.56Å; C58-G60 VanDerWaalsContact C-N 3.3Å; C58-G60 PolarHBondContact O-N 3.19Å; C58-G60 PolarHBondContact SG-N 3.41Å; C58-G60 VanDerWaalsContact SG-N 3.37Å; C58-I96 PolarHBondContact N-O 3.47Å; C58-A97 WeakPolarHBondContact O-CA 3.36Å; C58-L98 PolarHBondContact O-N 3.44Å; C58-G101 WeakPolarHBondContact SG-CA 3.22Å
59G96.5Very high90.8Very high25 Ų2546.3 Ų46.326%0.25827%0.273SS..  trans-82.43177.100000115.5V21 L98V21-G59 PolarHBondContact O-N 2.89Å; G59-L98 CarbonylContact C-O 3.55Å
60G95.8Very high90Very high3 Ų350.7 Ų50.73%0.03129%0.294CS..  trans104.9-163.7-179.300000114A23 L24 C58 L98A23-G60 CarbonylContact C-O 3.54Å; A23-G60 WeakPolarHBondContact CA-O 3.31Å; L24-G60 PolarHBondContact N-O 2.97Å; C58-G60 VanDerWaalsContact C-N 3.3Å; C58-G60 PolarHBondContact O-N 3.19Å; C58-G60 PolarHBondContact SG-N 3.41Å; C58-G60 VanDerWaalsContact SG-N 3.37Å; G60-L98 WeakPolarHBondContact CA-O 3.38Å; G60-L98 PolarHBondContact N-O 3.37Å; G60-L98 VanDerWaalsContact N-O 3.15Å
61A93.4Very high89.4Confident32 Ų3254.9 Ų54.926%0.26432%0.32SS..BIsolated β-bridgetrans-62150.7174.600000111.5I63 F66A61-I63 PolarHBondContact O-N 3.28Å; A61-I63 VanDerWaalsContact O-N 3.12Å; A61-F66 HydrophobicContact CB-CE1 3.91Å; A61-F66 HydrophobicContact CB-CZ 3.79Å
62D91.2Very high88.8Confident13 Ų1357 Ų577%0.0734%0.343CS..  trans-77.2100.3175.7-162-25.5000110.5A23 R64 E65A23-D62 HydrophobicContact CB-CB 4.03Å; D62-R64 PolarHBondContact O-N 3.19Å; D62-R64 VanDerWaalsContact OD1-CB 3.32Å; D62-R64 WeakPolarHBondContact OD1-CB 3.42Å; D62-R64 WeakPolarHBondContact OD1-CG 3.37Å; D62-R64 IonicContact OD1-CZ 2.79Å; D62-R64 PolarHBondContact OD1-N 3.14Å; D62-R64 IonicContact OD1-NE 3.49Å; D62-R64 PolarHBondContact OD1-NE 3.39Å; D62-R64 IonicContact OD1-NH2 3.58Å; D62-R64 PolarHBondContact OD1-NH2 3.49Å; D62-R64 IonicContact OD2-CZ 3.85Å; D62-R64 IonicContact OD2-NE 2.69Å; D62-R64 PolarHBondContact OD2-NE 2.69Å; D62-R64 IonicContact OD2-NH2 3.44Å; D62-R64 PolarHBondContact OD2-NH2 3.42Å; D62-E65 HydrophobicContact CB-CG 4.13Å; D62-E65 WeakPolarHBondContact O-CB 3.34Å; D62-E65 PolarHBondContact O-N 2.81Å
63I87Confident88.4Confident31 Ų3157.6 Ų57.616%0.15935%0.345CS..G310 helixtrans-58.9-23-177.1-53167000111.4A61 E65 F66 L126 Q268 F271 F272A61-I63 PolarHBondContact O-N 3.28Å; A61-I63 VanDerWaalsContact O-N 3.12Å; I63-E65 PolarHBondContact O-N 2.8Å; I63-F66 HydrophobicContact CB-CD2 4.48Å; I63-F66 HydrophobicContact CG1-CE2 4.39Å; I63-F66 HydrophobicContact CG2-CD2 4.02Å; I63-F66 HydrophobicContact CG2-CE2 4.4Å; I63-F66 WeakPolarHBondContact O-CB 3.4Å; I63-F66 PolarHBondContact O-N 2.78Å; I63-L126 HydrophobicContact CD1-CD1 3.6Å; I63-L126 HydrophobicContact CD1-CD2 4.28Å; I63-L126 HydrophobicContact CG1-CD1 3.96Å; I63-Q268 HydrophobicContact CG2-CG 4.48Å; I63-F271 HydrophobicContact CD1-CD1 4.21Å; I63-F271 HydrophobicContact CD1-CE1 3.58Å; I63-F271 HydrophobicContact CD1-CE2 4.24Å; I63-F271 HydrophobicContact CD1-CZ 3.57Å; I63-F272 HydrophobicContact CB-CZ 4.07Å; I63-F272 HydrophobicContact CG2-CE2 3.76Å; I63-F272 HydrophobicContact CG2-CZ 3.74Å
64R85.1Confident88.1Confident152 Ų15258.4 Ų58.457%0.57436%0.356SS*.G310 helixtrans-66.3-23.8176.1-60.4170.9-69.9-174.80.3112.4D62 F66 F272D62-R64 PolarHBondContact O-N 3.19Å; D62-R64 VanDerWaalsContact OD1-CB 3.32Å; D62-R64 WeakPolarHBondContact OD1-CB 3.42Å; D62-R64 WeakPolarHBondContact OD1-CG 3.37Å; D62-R64 IonicContact OD1-CZ 2.79Å; D62-R64 PolarHBondContact OD1-N 3.14Å; D62-R64 IonicContact OD1-NE 3.49Å; D62-R64 PolarHBondContact OD1-NE 3.39Å; D62-R64 IonicContact OD1-NH2 3.58Å; D62-R64 PolarHBondContact OD1-NH2 3.49Å; D62-R64 IonicContact OD2-CZ 3.85Å; D62-R64 IonicContact OD2-NE 2.69Å; D62-R64 PolarHBondContact OD2-NE 2.69Å; D62-R64 IonicContact OD2-NH2 3.44Å; D62-R64 PolarHBondContact OD2-NH2 3.42Å; R64-F66 VanDerWaalsContact C-N 3.34Å; R64-F272 HydrophobicContact CG-CZ 4.32Å
65E85.4Confident88.1Confident37 Ų3754.8 Ų54.817%0.17334%0.337CS..G310 helixtrans-79-16.2176.8-63.7-176.5174.800112.5S25 A26 R29 D62 I63 G67 A68S25-E65 WeakPolarHBondContact CA-OE1 3.3Å; S25-E65 VanDerWaalsContact CB-OE1 3.24Å; S25-E65 WeakPolarHBondContact CB-OE1 3.39Å; A26-E65 PolarHBondContact N-OE1 3.33Å; R29-E65 IonicContact CZ-OE2 2.67Å; R29-E65 IonicContact NH1-OE2 3.18Å; R29-E65 PolarHBondContact NH1-OE2 3.36Å; R29-E65 IonicContact NH2-OE2 3.6Å; R29-E65 PolarHBondContact NH2-OE2 3.3Å; R29-E65 VanDerWaalsContact NH2-OE2 3.14Å; D62-E65 HydrophobicContact CB-CG 4.13Å; D62-E65 WeakPolarHBondContact O-CB 3.34Å; D62-E65 PolarHBondContact O-N 2.81Å; I63-E65 PolarHBondContact O-N 2.8Å; E65-G67 VanDerWaalsContact C-N 3.28Å; E65-G67 PolarHBondContact O-N 2.87Å; E65-A68 PolarHBondContact O-N 3.34Å; E65-A68 VanDerWaalsContact O-N 3.15Å; E65-A68 VanDerWaalsContact O-O 3.11Å
66F82.6Confident88.2Confident28 Ų2854.7 Ų54.712%0.12333%0.327CS..THydrogen-bonded Turntrans-70.1-24-172.6-67.5-1000113.6A61 I63 R64 A68 L128 F259A61-F66 HydrophobicContact CB-CE1 3.91Å; A61-F66 HydrophobicContact CB-CZ 3.79Å; I63-F66 HydrophobicContact CB-CD2 4.48Å; I63-F66 HydrophobicContact CG1-CE2 4.39Å; I63-F66 HydrophobicContact CG2-CD2 4.02Å; I63-F66 HydrophobicContact CG2-CE2 4.4Å; I63-F66 WeakPolarHBondContact O-CB 3.4Å; I63-F66 PolarHBondContact O-N 2.78Å; R64-F66 VanDerWaalsContact C-N 3.34Å; F66-A68 VanDerWaalsContact C-N 3.29Å; F66-L128 HydrophobicContact CD2-CD1 4.11Å; F66-L128 HydrophobicContact CE2-CD1 3.54Å; F66-L128 HydrophobicContact CZ-CD1 4.27Å; F66-F259 HydrophobicContact CB-CE2 4.08Å; F66-F259 HydrophobicContact CB-CZ 4.11Å; F66-F259 HydrophobicContact CD1-CE2 4Å; F66-F259 HydrophobicContact CD1-CZ 4.38Å; F66-F259 HydrophobicContact CD2-CE2 4.18Å; F66-F259 HydrophobicContact CE1-CE2 4.47Å; F66-F259 AromaticContact CG-CE2 3.84Å; F66-F259 HydrophobicContact CG-CE2 3.84Å; F66-F259 HydrophobicContact CG-CZ 4.28Å
67G70.4Confident88.1Confident83 Ų8355 Ų5586%0.85634%0.336SS*.THydrogen-bonded Turntrans-81.6-3.1175.600000114.5E65E65-G67 VanDerWaalsContact C-N 3.28Å; E65-G67 PolarHBondContact O-N 2.87Å
68A72.6Confident88Confident66 Ų6655.1 Ų55.155%0.54534%0.336SS..SBendtrans-129.6172.3-175.900000111.5E65 F66 M70E65-A68 PolarHBondContact O-N 3.34Å; E65-A68 VanDerWaalsContact O-N 3.15Å; E65-A68 VanDerWaalsContact O-O 3.11Å; F66-A68 VanDerWaalsContact C-N 3.29Å; A68-M70 PolarHBondContact O-N 2.85Å; A68-M70 VanDerWaalsContact O-N 3.12Å
69K78.8Confident87.9Confident193 Ų19355.1 Ų55.184%0.83934%0.336SS*.  trans-64.2114.4171.2-175.4177.2179.3179.40108.9T71K69-T71 PolarHBondContact O-N 2.87Å
70M81.7Confident87.9Confident91 Ų9157.1 Ų57.145%0.44834%0.339SS..  trans-60.9136.2175.9-67-173.27000110.7A68A68-M70 PolarHBondContact O-N 2.85Å; A68-M70 VanDerWaalsContact O-N 3.12Å
71T85.6Confident88Confident88 Ų8858.8 Ų58.854%0.5435%0.347SS..  trans-121170.6179.957.80000111.3A26 R29 K69A26-T71 VanDerWaalsContact CB-O 3.25Å; A26-T71 WeakPolarHBondContact CB-O 3.32Å; A26-T71 WeakPolarHBondContact CB-OG1 3.46Å; R29-T71 PolarHBondContact NH2-O 2.83Å; K69-T71 PolarHBondContact O-N 2.87Å
72G86.2Confident88.2Confident51 Ų5157.3 Ų57.353%0.52633%0.334SS..SBendtrans73.7-176.8-177.200000113.7
73P89.3Confident88.5Confident22 Ų2257 Ų5714%0.14333%0.333CS..SBendtrans-69.5139.5-173.624-28.5000110.6R29 Q30 V33R29-P73 HydrophobicContact CB-CG 3.93Å; R29-P73 WeakPolarHBondContact CD-O 3.24Å; R29-P73 PolarHBondContact NE-O 3.5Å; Q30-P73 HydrophobicContact CB-CG 4.36Å; V33-P73 HydrophobicContact CG2-CB 4.29Å; V33-P73 HydrophobicContact CG2-CG 4.04Å
74P89.9Confident89Confident87 Ų8758.9 Ų58.957%0.56535%0.353SS*.  trans-64.8152.3174.5-16.228.9000111.4V76 P77 M78P74-V76 PolarHBondContact O-N 2.94Å; P74-P77 HydrophobicContact CB-CG 4.27Å; P74-P77 HydrophobicContact CG-CG 4.47Å; P74-P77 WeakPolarHBondContact O-CD 3.3Å; P74-M78 PolarHBondContact O-N 3.29Å
75L91.8Very high89.5Confident32 Ų3251.8 Ų51.817%0.16833%0.326CS..Hα-helixtrans-66.7-38.2-175.1-17455.5000112.5L24 M78 V79 A132L24-L75 HydrophobicContact CD1-CD1 3.8Å; L24-L75 HydrophobicContact CD1-CD2 4.33Å; L75-M78 HydrophobicContact CD1-CE 3.18Å; L75-M78 WeakPolarHBondContact O-CB 3.18Å; L75-M78 PolarHBondContact O-N 3.2Å; L75-V79 HydrophobicContact CD1-CG1 4.22Å; L75-V79 HydrophobicContact CG-CG1 4.5Å; L75-V79 PolarHBondContact O-N 3.18Å; L75-A132 HydrophobicContact CB-CB 3.93Å; L75-A132 HydrophobicContact CD2-CB 3.48Å; L75-A132 VanDerWaalsContact CD2-CB 3.48Å; L75-A132 HydrophobicContact CG-CB 3.36Å
76V95.1Very high90Very high45 Ų4554.5 Ų54.527%0.27335%0.35SS..Hα-helixtrans-59.7-54.1-178.9170.10000113P74 M78 V79 H80 G131 A132 M248P74-V76 PolarHBondContact O-N 2.94Å; V76-M78 VanDerWaalsContact C-N 3.25Å; V76-M78 PolarHBondContact O-N 3.23Å; V76-V79 WeakPolarHBondContact O-CG2 3.24Å; V76-V79 PolarHBondContact O-N 2.68Å; V76-H80 VanDerWaalsContact CG1-CE1 3.45Å; V76-H80 WeakPolarHBondContact CG1-CE1 3.49Å; V76-H80 PolarHBondContact O-N 3.21Å; V76-G131 WeakPolarHBondContact CG2-O 3.46Å; V76-A132 HydrophobicContact CG2-CB 4.06Å; V76-M248 HydrophobicContact CG1-CE 3.93Å; V76-M248 HydrophobicContact CG2-CE 4.11Å
77P95.4Very high90.8Very high76 Ų7654.5 Ų54.549%0.49435%0.349SS..Hα-helixtrans-57.1-37.4173.8-26.434.7000113.5P74 H80 L81P74-P77 HydrophobicContact CB-CG 4.27Å; P74-P77 HydrophobicContact CG-CG 4.47Å; P74-P77 WeakPolarHBondContact O-CD 3.3Å; P77-H80 PolarHBondContact O-N 3.05Å; P77-L81 PolarHBondContact O-N 3.23Å
78M95.9Very high92.1Very high2 Ų250.8 Ų50.81%0.0131%0.31CS..Hα-helixtrans-64.4-45.5178.6-177.1178.769.500112R29 I32 V33 P74 L75 V76 H80 L81 I82R29-M78 HydrophobicContact CB-CE 4.48Å; R29-M78 HydrophobicContact CB-SD 4.08Å; R29-M78 HydrophobicContact CG-CE 4.19Å; R29-M78 HydrophobicContact CG-SD 4.43Å; I32-M78 HydrophobicContact CB-SD 3.62Å; I32-M78 HydrophobicContact CD1-CE 4.01Å; I32-M78 HydrophobicContact CD1-SD 3.82Å; I32-M78 HydrophobicContact CG1-SD 4.34Å; I32-M78 HydrophobicContact CG2-CG 4.02Å; I32-M78 HydrophobicContact CG2-SD 3.61Å; V33-M78 HydrophobicContact CG2-CB 4.06Å; V33-M78 HydrophobicContact CG2-CG 3.77Å; V33-M78 HydrophobicContact CG2-SD 4.22Å; P74-M78 PolarHBondContact O-N 3.29Å; L75-M78 HydrophobicContact CD1-CE 3.18Å; L75-M78 WeakPolarHBondContact O-CB 3.18Å; L75-M78 PolarHBondContact O-N 3.2Å; V76-M78 VanDerWaalsContact C-N 3.25Å; V76-M78 PolarHBondContact O-N 3.23Å; M78-H80 VanDerWaalsContact C-N 3.33Å; M78-H80 PolarHBondContact O-N 3.31Å; M78-L81 WeakPolarHBondContact O-CB 3.32Å; M78-L81 PolarHBondContact O-N 2.92Å; M78-I82 HydrophobicContact CG-CD1 4.46Å; M78-I82 WeakPolarHBondContact O-CG1 3.45Å; M78-I82 PolarHBondContact O-N 2.91Å
79V96.4Very high93.3Very high0 Ų047.7 Ų47.70%028%0.284CS..Hα-helixtrans-67.5-34.5176.9-64.30000111.9L75 V76 I82 E83 S107 A132L75-V79 HydrophobicContact CD1-CG1 4.22Å; L75-V79 HydrophobicContact CG-CG1 4.5Å; L75-V79 PolarHBondContact O-N 3.18Å; V76-V79 WeakPolarHBondContact O-CG2 3.24Å; V76-V79 PolarHBondContact O-N 2.68Å; V79-I82 PolarHBondContact O-N 3.09Å; V79-E83 PolarHBondContact O-N 3.15Å; V79-S107 WeakPolarHBondContact O-CB 3.4Å; V79-A132 HydrophobicContact CG2-CB 4.45Å
80H96.3Very high94.3Very high67 Ų6738.5 Ų38.531%0.3124%0.244SC..Hα-helixtrans-65.8-38.6173.9-68.2164.9000112.6V76 P77 M78 I82 E83 A84 R137V76-H80 VanDerWaalsContact CG1-CE1 3.45Å; V76-H80 WeakPolarHBondContact CG1-CE1 3.49Å; V76-H80 PolarHBondContact O-N 3.21Å; P77-H80 PolarHBondContact O-N 3.05Å; M78-H80 VanDerWaalsContact C-N 3.33Å; M78-H80 PolarHBondContact O-N 3.31Å; H80-I82 VanDerWaalsContact C-N 3.28Å; H80-I82 PolarHBondContact O-N 3.43Å; H80-E83 PolarHBondContact O-N 3.31Å; H80-A84 WeakPolarHBondContact O-CB 3.5Å; H80-A84 PolarHBondContact O-N 2.81Å; H80-R137 PolarHBondContact CD2-NH2 3.49Å; H80-R137 VanDerWaalsContact CD2-NH2 3.29Å
81L97.5Very high95.1Very high39 Ų3934.1 Ų34.120%0.20422%0.223CC..Hα-helixtrans-58-42.7174173.165.7000111.5V33 M36 P77 M78 A85V33-L81 HydrophobicContact CB-CD2 4.47Å; V33-L81 HydrophobicContact CG1-CD2 4.12Å; V33-L81 HydrophobicContact CG2-CD2 4.42Å; M36-L81 HydrophobicContact CB-CD2 4.11Å; P77-L81 PolarHBondContact O-N 3.23Å; M78-L81 WeakPolarHBondContact O-CB 3.32Å; M78-L81 PolarHBondContact O-N 2.92Å; L81-A85 PolarHBondContact O-N 3.08Å
82I98Very high95.7Very high0 Ų030 Ų300%020%0.198CC..Hα-helixtrans-69.8-45.2-179-64167.3000111I32 M36 I50 M78 V79 H80 A84 A85 V89 L104I32-I82 HydrophobicContact CG2-CD1 4.03Å; M36-I82 HydrophobicContact CE-CG1 4.3Å; M36-I82 HydrophobicContact CG-CG1 4.08Å; M36-I82 HydrophobicContact SD-CG1 4.32Å; I50-I82 HydrophobicContact CD1-CD1 4.04Å; I50-I82 HydrophobicContact CD1-CG2 4.47Å; M78-I82 HydrophobicContact CG-CD1 4.46Å; M78-I82 WeakPolarHBondContact O-CG1 3.45Å; M78-I82 PolarHBondContact O-N 2.91Å; V79-I82 PolarHBondContact O-N 3.09Å; H80-I82 VanDerWaalsContact C-N 3.28Å; H80-I82 PolarHBondContact O-N 3.43Å; I82-A84 VanDerWaalsContact C-N 3.32Å; I82-A84 PolarHBondContact O-N 3.23Å; I82-A85 WeakPolarHBondContact O-CB 3.42Å; I82-A85 PolarHBondContact O-N 3.31Å; I82-V89 HydrophobicContact CG2-CB 4.32Å; I82-V89 HydrophobicContact CG2-CG1 3.99Å; I82-V89 HydrophobicContact CG2-CG2 4.38Å; I82-L104 HydrophobicContact CD1-CD1 3.29Å
83E97.4Very high96.3Very high8 Ų827.6 Ų27.64%0.03717%0.173CC..Hα-helixtrans-69.5-30.4-179.5-170172.9-171.600112.5V79 H80 A85 S107 H109 R137 R196 I197 S198V79-E83 PolarHBondContact O-N 3.15Å; H80-E83 PolarHBondContact O-N 3.31Å; E83-A85 VanDerWaalsContact C-N 3.29Å; E83-S107 WeakPolarHBondContact CA-O 3.46Å; E83-S107 PolarHBondContact N-O 3.14Å; E83-H109 PolarHBondContact O-NE2 3.34Å; E83-R137 IonicContact OE1-NE 3.68Å; E83-R137 IonicContact OE2-CZ 2.87Å; E83-R137 VanDerWaalsContact OE2-CZ 3.24Å; E83-R137 IonicContact OE2-NE 2.97Å; E83-R137 PolarHBondContact OE2-NE 3.14Å; E83-R137 IonicContact OE2-NH2 3.89Å; E83-R137 PolarHBondContact OE2-NH2 3.4Å; E83-R196 HydrophobicContact CG-CB 4.08Å; E83-R196 HydrophobicContact CG-CG 4.07Å; E83-R196 PolarHBondContact O-NE 2.87Å; E83-R196 VanDerWaalsContact OE1-C 3.23Å; E83-R196 WeakPolarHBondContact OE1-CA 3.48Å; E83-I197 PolarHBondContact OE1-N 3Å; E83-S198 VanDerWaalsContact OE1-CB 3.22Å; E83-S198 WeakPolarHBondContact OE1-CB 3.45Å; E83-S198 PolarHBondContact OE1-N 3.43Å; E83-S198 PolarHBondContact OE1-OG 3.29Å; E83-S198 PolarHBondContact OE2-OG 3.03Å
84A96.9Very high96.8Very high70 Ų7028.1 Ų28.158%0.57917%0.173SC*.THydrogen-bonded Turntrans-81.3-5.1175.800000113.6H80 I82 S86H80-A84 WeakPolarHBondContact O-CB 3.5Å; H80-A84 PolarHBondContact O-N 2.81Å; I82-A84 VanDerWaalsContact C-N 3.32Å; I82-A84 PolarHBondContact O-N 3.23Å; A84-S86 PolarHBondContact O-N 3.4Å
85A97.3Very high97.1Very high2 Ų225 Ų252%0.01716%0.158CC..  trans-55.9138.3-177.200000112M36 L40 L81 I82 E83 K87 V89M36-A85 HydrophobicContact CE-CB 4.11Å; L40-A85 HydrophobicContact CD1-CB 4.24Å; L40-A85 HydrophobicContact CD2-CB 3.93Å; L81-A85 PolarHBondContact O-N 3.08Å; I82-A85 WeakPolarHBondContact O-CB 3.42Å; I82-A85 PolarHBondContact O-N 3.31Å; E83-A85 VanDerWaalsContact C-N 3.29Å; A85-K87 VanDerWaalsContact C-N 3.27Å; A85-K87 PolarHBondContact O-N 3.25Å; A85-V89 HydrophobicContact CB-CG2 3.93Å
86S96Very high97.4Very high95 Ų9525.3 Ų25.366%0.66416%0.159SC*.SBendtrans-78.1-12.9178.155.70000113.5A84A84-S86 PolarHBondContact O-N 3.4Å
87K97.5Very high97.6Very high27 Ų2723.1 Ų23.112%0.11715%0.146CC..SBendtrans-109.6145.4178.3-57.9-178.7-171.71780109.7A39 L40 E42 V45 A85 V89A39-K87 PolarHBondContact O-NZ 3.48Å; L40-K87 HydrophobicContact CD2-CB 4.1Å; L40-K87 HydrophobicContact CD2-CD 4.16Å; L40-K87 HydrophobicContact CD2-CG 4.01Å; L40-K87 VanDerWaalsContact O-CE 3.32Å; L40-K87 WeakPolarHBondContact O-CE 3.43Å; L40-K87 PolarHBondContact O-NZ 3.41Å; E42-K87 PolarHBondContact O-NZ 3.4Å; V45-K87 HydrophobicContact CG1-CD 4.47Å; V45-K87 VanDerWaalsContact O-CD 3.32Å; V45-K87 WeakPolarHBondContact O-CD 3.45Å; V45-K87 VanDerWaalsContact O-CE 3.23Å; V45-K87 WeakPolarHBondContact O-CE 3.42Å; V45-K87 PolarHBondContact O-NZ 3.32Å; A85-K87 VanDerWaalsContact C-N 3.27Å; A85-K87 PolarHBondContact O-N 3.25Å; K87-V89 WeakPolarHBondContact O-CG2 3.33Å; K87-V89 PolarHBondContact O-N 3.33Å
88P98.4Very high97.7Very high6 Ų620.5 Ų20.54%0.03913%0.127CC..  trans-55.3137.3175-20.728.8000111.3K46 S47 V48 Y110 V187 L192K46-P88 WeakPolarHBondContact O-CD 3.24Å; S47-P88 CarbonylContact C-O 3.59Å; S47-P88 WeakPolarHBondContact CA-O 3.3Å; V48-P88 PolarHBondContact N-O 2.85Å; P88-Y110 HydrophobicContact CB-CE2 4.42Å; P88-V187 HydrophobicContact CB-CG2 3.84Å; P88-V187 HydrophobicContact CG-CG2 4.26Å; P88-L192 HydrophobicContact CB-CD2 4.06Å; P88-L192 HydrophobicContact CG-CD2 4.05Å
89V98.8Very high97.8Very high0 Ų020.6 Ų20.60%013%0.129CC..EExtended strand (participates in β ladder)trans-124.6124.8177.6-171.70000108.2M36 V48 I50 I82 A85 K87 C108 H109 Y110M36-V89 HydrophobicContact CE-CG2 3.99Å; V48-V89 HydrophobicContact CB-CG1 4.26Å; V48-V89 HydrophobicContact CB-CG2 4.26Å; V48-V89 HydrophobicContact CG1-CG1 4.33Å; V48-V89 CarbonylContact O-C 3.58Å; V48-V89 VanDerWaalsContact O-CA 3.32Å; V48-V89 WeakPolarHBondContact O-CA 3.47Å; I50-V89 HydrophobicContact CD1-CG1 3.89Å; I50-V89 HydrophobicContact CG1-CG1 3.98Å; I82-V89 HydrophobicContact CG2-CB 4.32Å; I82-V89 HydrophobicContact CG2-CG1 3.99Å; I82-V89 HydrophobicContact CG2-CG2 4.38Å; A85-V89 HydrophobicContact CB-CG2 3.93Å; K87-V89 WeakPolarHBondContact O-CG2 3.33Å; K87-V89 PolarHBondContact O-N 3.33Å; V89-C108 HydrophobicContact CG1-CB 4.27Å; V89-H109 PolarHBondContact N-ND1 3.49Å; V89-H109 WeakPolarHBondContact O-CB 3.46Å; V89-H109 PolarHBondContact O-N 3.22Å; V89-Y110 PolarHBondContact O-N 3.46Å; V89-Y110 VanDerWaalsContact O-N 3.08Å
90V98.8Very high97.9Very high0 Ų020.7 Ų20.70%013%0.13CC..EExtended strand (participates in β ladder)trans-117.3125-176.6-171.80000109.6V48 V49 I50 Y110 I112 A180 F183 A184V48-V90 PolarHBondContact O-N 3.07Å; V49-V90 CarbonylContact C-O 3.53Å; V49-V90 VanDerWaalsContact CA-O 3.3Å; V49-V90 WeakPolarHBondContact CA-O 3.08Å; V49-V90 HydrophobicContact CG2-CB 4.35Å; I50-V90 PolarHBondContact N-O 3.43Å; V90-Y110 CarbonylContact C-O 3.46Å; V90-Y110 WeakPolarHBondContact CA-O 3.4Å; V90-Y110 HydrophobicContact CG2-CD2 4.26Å; V90-I112 HydrophobicContact CG1-CG1 3.76Å; V90-A180 HydrophobicContact CG1-CB 3.87Å; V90-F183 HydrophobicContact CG1-CD1 4.41Å; V90-F183 HydrophobicContact CG2-CD1 4.21Å; V90-A184 HydrophobicContact CB-CB 4.46Å; V90-A184 HydrophobicContact CG2-CB 3.71Å
91A98.9Very high97.9Very high0 Ų017.5 Ų17.50%012%0.115CC..EExtended strand (participates in β ladder)trans-84122.917000000110.1F57 I93 A105 C108 Y110 R111 I112F57-A91 HydrophobicContact CE2-CB 4.18Å; F57-A91 HydrophobicContact CZ-CB 4.08Å; A91-I93 HydrophobicContact CB-CG1 4.25Å; A91-A105 HydrophobicContact CB-CB 4.06Å; A91-C108 HydrophobicContact CB-CB 4.11Å; A91-Y110 PolarHBondContact N-O 3.36Å; A91-R111 HydrophobicContact CB-CG 4.09Å; A91-I112 PolarHBondContact O-N 3.37Å
92A98.8Very high98Very high1 Ų115.8 Ų15.81%0.00811%0.106CC..EExtended strand (participates in β ladder)trans-99.4101.9173.600000110.1V49 I50 C51 F57 V177 A180V49-A92 HydrophobicContact CG1-CB 3.96Å; I50-A92 PolarHBondContact O-N 2.76Å; C51-A92 HydrophobicContact CB-CB 3.92Å; F57-A92 VanDerWaalsContact CD2-O 3.26Å; F57-A92 WeakPolarHBondContact CD2-O 3.16Å; A92-V177 HydrophobicContact CB-CB 4.47Å; A92-V177 HydrophobicContact CB-CG2 4.13Å; A92-A180 HydrophobicContact CB-CB 3.53Å
93I98.8Very high98Very high0 Ų016 Ų160%011%0.107CC..EExtended strand (participates in β ladder)trans-98.898.9-167-54.5173.1000110.9F57 A91 A97 A105 R111 I112 A113 H114 A117 L119F57-I93 HydrophobicContact CB-CG2 4.16Å; F57-I93 HydrophobicContact CD2-CG1 4.47Å; F57-I93 HydrophobicContact CG-CG1 4.32Å; A91-I93 HydrophobicContact CB-CG1 4.25Å; I93-A97 HydrophobicContact CD1-CB 4.38Å; I93-A97 HydrophobicContact CG2-CB 3.78Å; I93-A105 HydrophobicContact CD1-CB 4.03Å; I93-R111 HydrophobicContact CD1-CB 4.27Å; I93-R111 HydrophobicContact CD1-CG 4.41Å; I93-I112 PolarHBondContact N-O 3.12Å; I93-A113 HydrophobicContact CB-CB 4.02Å; I93-A113 HydrophobicContact CG2-CB 4.47Å; I93-A113 WeakPolarHBondContact O-CA 3.42Å; I93-H114 PolarHBondContact O-N 3.01Å; I93-A117 HydrophobicContact CG2-CB 4.11Å; I93-L119 HydrophobicContact CD1-CD2 3.87Å
94E98Very high98.1Very high33 Ų3315.6 Ų15.615%0.15411%0.105CC..  trans-96.8145.7165.8-74.5-67.9172.200110.8G55 K56 F57 I96 H114 A176G55-E94 CarbonylContact O-C 3.58Å; K56-E94 CarbonylContact C-O 3.49Å; K56-E94 VanDerWaalsContact CA-O 3.27Å; K56-E94 WeakPolarHBondContact CA-O 3.19Å; F57-E94 PolarHBondContact N-O 3.48Å; E94-I96 PolarHBondContact O-N 3.49Å; E94-H114 IonicContact OE1-CD2 3.42Å; E94-H114 IonicContact OE1-CG 2.76Å; E94-H114 WeakPolarHBondContact OE2-CB 3.2Å; E94-H114 IonicContact OE2-CD2 2.59Å; E94-H114 IonicContact OE2-CG 3.57Å; E94-A176 HydrophobicContact CG-CB 4.08Å; E94-A176 WeakPolarHBondContact OE1-CB 3.31Å; E94-A176 PolarHBondContact OE1-N 3.3Å
95G97.6Very high98.2Very high23 Ų2312.3 Ų12.324%0.2378%0.078CC..SBendtrans63.4-85.4172.700000115.1G55 A117 T118G55-G95 VanDerWaalsContact O-CA 3.31Å; G55-G95 WeakPolarHBondContact O-CA 3.41Å; G55-G95 PolarHBondContact O-N 3.25Å; G95-A117 CarbonylContact O-C 3.28Å; G95-A117 VanDerWaalsContact O-CA 3.28Å; G95-A117 WeakPolarHBondContact O-CA 3.12Å; G95-T118 PolarHBondContact O-N 2.97Å
96I98.1Very high98.2Very high37 Ų3712.2 Ų12.219%0.198%0.077CC..EExtended strand (participates in β ladder)trans-135.4140.4-175.164.8173.8000113.2V21 K56 F57 C58 E94 L98 T118V21-I96 HydrophobicContact CB-CD1 4.31Å; V21-I96 HydrophobicContact CG1-CD1 4.25Å; K56-I96 HydrophobicContact CB-CG1 4.3Å; K56-I96 HydrophobicContact CD-CD1 4.47Å; K56-I96 HydrophobicContact CD-CG1 4.48Å; K56-I96 HydrophobicContact CG-CG1 4.29Å; F57-I96 WeakPolarHBondContact CB-O 3.1Å; F57-I96 PolarHBondContact N-O 2.87Å; C58-I96 PolarHBondContact N-O 3.47Å; E94-I96 PolarHBondContact O-N 3.49Å; I96-L98 HydrophobicContact CB-CD1 4.33Å; I96-L98 HydrophobicContact CB-CG 4.18Å; I96-L98 HydrophobicContact CD1-CD1 4.26Å; I96-T118 WeakPolarHBondContact CA-O 3.39Å
97A98.5Very high98.3Very high0 Ų07.8 Ų7.80%05%0.046CC..EExtended strand (participates in β ladder)trans-130.494163.600000108.6F57 C58 I93 T118 L119 G120F57-A97 HydrophobicContact CD1-CB 3.86Å; C58-A97 WeakPolarHBondContact O-CA 3.36Å; I93-A97 HydrophobicContact CD1-CB 4.38Å; I93-A97 HydrophobicContact CG2-CB 3.78Å; A97-T118 PolarHBondContact N-O 3.04Å; A97-L119 HydrophobicContact CB-CD2 4.19Å; A97-L119 HydrophobicContact CB-CG 4.23Å; A97-L119 VanDerWaalsContact O-CA 3.3Å; A97-L119 WeakPolarHBondContact O-CA 3.15Å; A97-G120 PolarHBondContact O-N 3.3Å
98L98.4Very high98.4Very high21 Ų216.5 Ų6.511%0.114%0.041CC..EExtended strand (participates in β ladder)trans-119142-171.9-60.4178.2000111.8C58 G59 G60 I96 G100 G101 G120 P122C58-L98 PolarHBondContact O-N 3.44Å; G59-L98 CarbonylContact C-O 3.55Å; G60-L98 WeakPolarHBondContact CA-O 3.38Å; G60-L98 PolarHBondContact N-O 3.37Å; G60-L98 VanDerWaalsContact N-O 3.15Å; I96-L98 HydrophobicContact CB-CD1 4.33Å; I96-L98 HydrophobicContact CB-CG 4.18Å; I96-L98 HydrophobicContact CD1-CD1 4.26Å; L98-G100 PolarHBondContact O-N 3.05Å; L98-G101 WeakPolarHBondContact O-CA 3.33Å; L98-G101 PolarHBondContact O-N 2.97Å; L98-G120 CarbonylContact C-O 3.57Å; L98-G120 WeakPolarHBondContact CA-O 3.31Å; L98-P122 HydrophobicContact CB-CG 4.2Å
99G97.8Very high98.4Very high4 Ų46.2 Ų6.24%0.0414%0.039CC..THydrogen-bonded Turntrans53.2-124.9176.700000112.6G101 L102 E103 G120 E123G99-G101 PolarHBondContact O-N 2.95Å; G99-L102 CarbonylContact O-C 3.55Å; G99-L102 WeakPolarHBondContact O-CA 3.27Å; G99-L102 WeakPolarHBondContact O-CB 3.26Å; G99-L102 PolarHBondContact O-N 2.92Å; G99-E103 PolarHBondContact O-N 3.37Å; G99-G120 PolarHBondContact N-O 3.21Å; G99-E123 VanDerWaalsContact CA-CD 3.45Å; G99-E123 WeakPolarHBondContact CA-OE1 3.28Å; G99-E123 WeakPolarHBondContact CA-OE2 3.34Å
100G97.3Very high98.4Very high2 Ų27.2 Ų7.22%0.0214%0.042CC..Hα-helixtrans-52-23.4172.300000115.6L24 L98 E103 L104 E123L24-G100 WeakPolarHBondContact CD1-O 3.27Å; L98-G100 PolarHBondContact O-N 3.05Å; G100-E103 WeakPolarHBondContact CA-OE2 3.16Å; G100-E103 PolarHBondContact O-N 3.19Å; G100-L104 WeakPolarHBondContact O-CB 3.34Å; G100-L104 PolarHBondContact O-N 2.88Å; G100-E123 PolarHBondContact N-OE1 2.91Å
101G98.1Very high98.4Very high0 Ų07.3 Ų7.30%04%0.043CC..Hα-helixtrans-70.7-39.317100000112.5F57 C58 L98 G99 L104 A105F57-G101 WeakPolarHBondContact CE1-O 3.2Å; C58-G101 WeakPolarHBondContact SG-CA 3.22Å; L98-G101 WeakPolarHBondContact O-CA 3.33Å; L98-G101 PolarHBondContact O-N 2.97Å; G99-G101 PolarHBondContact O-N 2.95Å; G101-L104 PolarHBondContact O-N 3.14Å; G101-A105 PolarHBondContact O-N 3.36Å
102L98.7Very high98.4Very high2 Ų27.3 Ų7.31%0.014%0.043CC..Hα-helixtrans-69.2-36.9169.8-175.253.9000111.1G99 L104 A105 L106 L119 F121 I167G99-L102 CarbonylContact O-C 3.55Å; G99-L102 WeakPolarHBondContact O-CA 3.27Å; G99-L102 WeakPolarHBondContact O-CB 3.26Å; G99-L102 PolarHBondContact O-N 2.92Å; L102-L104 VanDerWaalsContact C-N 3.32Å; L102-L104 PolarHBondContact O-N 3.44Å; L102-A105 HydrophobicContact CD1-CB 4.46Å; L102-A105 PolarHBondContact O-N 2.87Å; L102-A105 VanDerWaalsContact O-N 3.14Å; L102-L106 HydrophobicContact CD1-CG 4.23Å; L102-L106 HydrophobicContact CG-CD1 4.33Å; L102-L106 HydrophobicContact CG-CG 4.31Å; L102-L106 WeakPolarHBondContact O-CB 3.38Å; L102-L106 VanDerWaalsContact O-CG 3.3Å; L102-L106 WeakPolarHBondContact O-CG 3.44Å; L102-L106 PolarHBondContact O-N 3.02Å; L102-L119 HydrophobicContact CD1-CB 4.45Å; L102-L119 HydrophobicContact CD1-CD2 3.97Å; L102-L119 HydrophobicContact CD2-CB 4.5Å; L102-F121 HydrophobicContact CB-CE1 3.95Å; L102-F121 HydrophobicContact CB-CZ 4.02Å; L102-F121 HydrophobicContact CD2-CD1 4.47Å; L102-F121 HydrophobicContact CD2-CD2 3.86Å; L102-F121 HydrophobicContact CD2-CE1 4.08Å; L102-F121 HydrophobicContact CD2-CE2 3.41Å; L102-F121 VanDerWaalsContact CD2-CE2 3.41Å; L102-F121 HydrophobicContact CD2-CG 4.37Å; L102-F121 HydrophobicContact CD2-CZ 3.55Å; L102-F121 HydrophobicContact CG-CE1 4.07Å; L102-F121 HydrophobicContact CG-CE2 3.99Å; L102-F121 HydrophobicContact CG-CZ 3.6Å; L102-I167 HydrophobicContact CD1-CG2 4.06Å
103E98.6Very high98.4Very high5 Ų57.3 Ų7.32%0.0234%0.043CC..Hα-helixtrans-61-41.3174-56.7-175.2114.700111.7G99 G100 L106 S107 F121 P130 G131 A132 G133 G134G99-E103 PolarHBondContact O-N 3.37Å; G100-E103 WeakPolarHBondContact CA-OE2 3.16Å; G100-E103 PolarHBondContact O-N 3.19Å; E103-L106 PolarHBondContact O-N 2.78Å; E103-S107 PolarHBondContact O-N 2.78Å; E103-F121 HydrophobicContact CG-CE1 3.61Å; E103-F121 HydrophobicContact CG-CZ 4.31Å; E103-P130 VanDerWaalsContact OE1-C 3.3Å; E103-P130 WeakPolarHBondContact OE1-CB 3.45Å; E103-G131 PolarHBondContact OE1-N 3.19Å; E103-A132 HydrophobicContact CB-CB 4.29Å; E103-A132 VanDerWaalsContact CD-N 3.33Å; E103-A132 VanDerWaalsContact OE1-C 3.22Å; E103-A132 VanDerWaalsContact OE1-CA 3.28Å; E103-A132 WeakPolarHBondContact OE1-CA 3.36Å; E103-A132 PolarHBondContact OE1-N 2.82Å; E103-A132 WeakPolarHBondContact OE2-CB 3.37Å; E103-A132 PolarHBondContact OE2-N 3.44Å; E103-G133 PolarHBondContact OE1-N 3.33Å; E103-G134 WeakPolarHBondContact OE1-CA 3.44Å; E103-G134 PolarHBondContact OE1-N 3.39Å
104L98.6Very high98.4Very high0 Ų08.6 Ų8.60%05%0.049CC..Hα-helixtrans-59.1-46.8171.3176.462.8000111.6L16 L24 I32 I50 F57 I82 G100 G101 L102 L106 S107 C108L16-L104 HydrophobicContact CD1-CD2 3.93Å; L24-L104 HydrophobicContact CD2-CD2 4.19Å; I32-L104 HydrophobicContact CD1-CD2 4.14Å; I50-L104 HydrophobicContact CD1-CD1 4.43Å; I50-L104 HydrophobicContact CG2-CD2 4.41Å; F57-L104 HydrophobicContact CE1-CD2 4.26Å; F57-L104 HydrophobicContact CE1-CG 4.47Å; F57-L104 HydrophobicContact CZ-CD2 4.08Å; F57-L104 HydrophobicContact CZ-CG 4.25Å; I82-L104 HydrophobicContact CD1-CD1 3.29Å; G100-L104 WeakPolarHBondContact O-CB 3.34Å; G100-L104 PolarHBondContact O-N 2.88Å; G101-L104 PolarHBondContact O-N 3.14Å; L102-L104 VanDerWaalsContact C-N 3.32Å; L102-L104 PolarHBondContact O-N 3.44Å; L104-L106 PolarHBondContact O-N 3.34Å; L104-S107 PolarHBondContact O-N 3.21Å; L104-S107 PolarHBondContact O-OG 3.22Å; L104-C108 PolarHBondContact O-N 2.71Å; L104-C108 PolarHBondContact O-SG 2.91Å; L104-C108 VanDerWaalsContact O-SG 3.39Å
105A98.8Very high98.4Very high0 Ų08.7 Ų8.70%05%0.053CC..Hα-helixtrans-65.8-37.6178.500000112.9F57 A91 I93 G101 L102 S107 C108 R111F57-A105 HydrophobicContact CE1-CB 4Å; F57-A105 HydrophobicContact CZ-CB 4.35Å; A91-A105 HydrophobicContact CB-CB 4.06Å; I93-A105 HydrophobicContact CD1-CB 4.03Å; G101-A105 PolarHBondContact O-N 3.36Å; L102-A105 HydrophobicContact CD1-CB 4.46Å; L102-A105 PolarHBondContact O-N 2.87Å; L102-A105 VanDerWaalsContact O-N 3.14Å; A105-S107 VanDerWaalsContact C-N 3.26Å; A105-S107 PolarHBondContact O-N 2.78Å; A105-C108 WeakPolarHBondContact O-CB 3.37Å; A105-C108 PolarHBondContact O-N 2.8Å; A105-R111 HydrophobicContact CB-CG 4.26Å; A105-R111 VanDerWaalsContact O-CD 3.31Å; A105-R111 WeakPolarHBondContact O-CD 3.45Å; A105-R111 WeakPolarHBondContact O-CG 3.5Å; A105-R111 PolarHBondContact O-NH1 3.38Å
106L98.4Very high98.3Very high1 Ų115.7 Ų15.71%0.0058%0.077CC..Hα-helixtrans-68.8-24.5175.2-69.7-179.6000112.5L102 E103 L104 C108 F121 R137 L138 L141 I167 I197L102-L106 HydrophobicContact CD1-CG 4.23Å; L102-L106 HydrophobicContact CG-CD1 4.33Å; L102-L106 HydrophobicContact CG-CG 4.31Å; L102-L106 WeakPolarHBondContact O-CB 3.38Å; L102-L106 VanDerWaalsContact O-CG 3.3Å; L102-L106 WeakPolarHBondContact O-CG 3.44Å; L102-L106 PolarHBondContact O-N 3.02Å; E103-L106 PolarHBondContact O-N 2.78Å; L104-L106 PolarHBondContact O-N 3.34Å; L106-C108 VanDerWaalsContact C-N 3.3Å; L106-F121 HydrophobicContact CD1-CE2 4.29Å; L106-F121 HydrophobicContact CD1-CZ 3.78Å; L106-R137 HydrophobicContact CD1-CB 4.39Å; L106-L138 HydrophobicContact CD1-CD1 4.42Å; L106-L141 HydrophobicContact CD2-CD2 3.77Å; L106-I167 HydrophobicContact CD2-CG2 4.46Å; L106-I197 HydrophobicContact CB-CD1 4.37Å; L106-I197 HydrophobicContact CD2-CD1 4.11Å; L106-I197 WeakPolarHBondContact O-CD1 3.4Å
107S97.9Very high98.3Very high1 Ų114 Ų141%0.0077%0.068CC..Hα-helixtrans-75.2-19.6172.778.70000113.7V79 E83 E103 L104 A105V79-S107 WeakPolarHBondContact O-CB 3.4Å; E83-S107 WeakPolarHBondContact CA-O 3.46Å; E83-S107 PolarHBondContact N-O 3.14Å; E103-S107 PolarHBondContact O-N 2.78Å; L104-S107 PolarHBondContact O-N 3.21Å; L104-S107 PolarHBondContact O-OG 3.22Å; A105-S107 VanDerWaalsContact C-N 3.26Å; A105-S107 PolarHBondContact O-N 2.78Å
108C98.6Very high98.3Very high1 Ų116 Ų161%0.0078%0.081CC..SBendtrans-72.7154.7173.6-60.50000110.9V89 A91 L104 A105 L106 Y110 R111V89-C108 HydrophobicContact CG1-CB 4.27Å; A91-C108 HydrophobicContact CB-CB 4.11Å; L104-C108 PolarHBondContact O-N 2.71Å; L104-C108 PolarHBondContact O-SG 2.91Å; L104-C108 VanDerWaalsContact O-SG 3.39Å; A105-C108 WeakPolarHBondContact O-CB 3.37Å; A105-C108 PolarHBondContact O-N 2.8Å; L106-C108 VanDerWaalsContact C-N 3.3Å; C108-Y110 VanDerWaalsContact C-N 3.34Å; C108-Y110 PolarHBondContact O-N 3.1Å; C108-R111 PolarHBondContact O-NH1 2.81Å
109H98.7Very high98.3Very high0 Ų015 Ų150%08%0.076CC..SBendtrans-70.3-32.1177.6-60.1108.2000112.4E83 V89 L192 R195E83-H109 PolarHBondContact O-NE2 3.34Å; V89-H109 PolarHBondContact N-ND1 3.49Å; V89-H109 WeakPolarHBondContact O-CB 3.46Å; V89-H109 PolarHBondContact O-N 3.22Å; H109-L192 HydrophobicContact CB-CD2 4.2Å; H109-R195 HydrophobicContact CB-CB 4.07Å; H109-R195 VanDerWaalsContact O-CZ 3.27Å; H109-R195 PolarHBondContact O-NE 3.35Å; H109-R195 PolarHBondContact O-NH2 2.98Å
110Y98.8Very high98.3Very high20 Ų2014.9 Ų14.98%0.0787%0.074CC..EExtended strand (participates in β ladder)trans-139.3155.6179.8-55.5-87.4000111.9P88 V89 V90 A91 C108 D169 F183 V187 L192 R195P88-Y110 HydrophobicContact CB-CE2 4.42Å; V89-Y110 PolarHBondContact O-N 3.46Å; V89-Y110 VanDerWaalsContact O-N 3.08Å; V90-Y110 CarbonylContact C-O 3.46Å; V90-Y110 WeakPolarHBondContact CA-O 3.4Å; V90-Y110 HydrophobicContact CG2-CD2 4.26Å; A91-Y110 PolarHBondContact N-O 3.36Å; C108-Y110 VanDerWaalsContact C-N 3.34Å; C108-Y110 PolarHBondContact O-N 3.1Å; Y110-D169 VanDerWaalsContact CA-OD2 3.23Å; Y110-D169 WeakPolarHBondContact CA-OD2 3.06Å; Y110-F183 AromaticContact CD1-CE1 3.45Å; Y110-F183 HydrophobicContact CD1-CE1 3.45Å; Y110-F183 VanDerWaalsContact CD1-CE1 3.45Å; Y110-F183 AromaticContact CD1-CZ 3.72Å; Y110-F183 HydrophobicContact CD1-CZ 3.72Å; Y110-F183 HydrophobicContact CD2-CE1 4.03Å; Y110-F183 AromaticContact CE1-CE1 3.98Å; Y110-F183 HydrophobicContact CE1-CE1 3.98Å; Y110-F183 HydrophobicContact CE1-CZ 4.13Å; Y110-F183 HydrophobicContact CE2-CE1 4.5Å; Y110-F183 HydrophobicContact CG-CD1 4.37Å; Y110-F183 AromaticContact CG-CE1 3.48Å; Y110-F183 HydrophobicContact CG-CE1 3.48Å; Y110-F183 VanDerWaalsContact CG-CE1 3.48Å; Y110-F183 HydrophobicContact CG-CZ 4.21Å; Y110-V187 HydrophobicContact CD2-CG2 4.15Å; Y110-V187 HydrophobicContact CE1-CG1 4.39Å; Y110-V187 HydrophobicContact CE2-CB 4.04Å; Y110-V187 HydrophobicContact CE2-CG1 4.25Å; Y110-V187 HydrophobicContact CE2-CG2 3.77Å; Y110-L192 HydrophobicContact CE2-CD2 4.37Å; Y110-R195 VanDerWaalsContact CD1-NH2 3.27Å; Y110-R195 HydrophobicContact CE1-CG 4.16Å; Y110-R195 VanDerWaalsContact CE1-NE 3.32Å; Y110-R195 HydrophobicContact CE2-CG 4.46Å
111R98.8Very high98.4Very high3 Ų314.8 Ų14.81%0.0117%0.073CC..EExtended strand (participates in β ladder)trans-136.1121-179.4-69.5151.5-66.8-75.5-7.5110.4A91 I93 A105 C108 I167 V168 D169 E170A91-R111 HydrophobicContact CB-CG 4.09Å; I93-R111 HydrophobicContact CD1-CB 4.27Å; I93-R111 HydrophobicContact CD1-CG 4.41Å; A105-R111 HydrophobicContact CB-CG 4.26Å; A105-R111 VanDerWaalsContact O-CD 3.31Å; A105-R111 WeakPolarHBondContact O-CD 3.45Å; A105-R111 WeakPolarHBondContact O-CG 3.5Å; A105-R111 PolarHBondContact O-NH1 3.38Å; C108-R111 PolarHBondContact O-NH1 2.81Å; R111-I167 WeakPolarHBondContact CD-O 3.42Å; R111-I167 PolarHBondContact NE-O 2.78Å; R111-V168 WeakPolarHBondContact O-CG1 3.49Å; R111-D169 IonicContact CZ-OD2 3.71Å; R111-D169 PolarHBondContact N-OD2 3.24Å; R111-D169 IonicContact NE-OD2 3.53Å; R111-D169 IonicContact NH2-OD2 3.92Å; R111-D169 PolarHBondContact NH2-OD2 2.89Å; R111-D169 WeakPolarHBondContact O-CB 3.46Å; R111-D169 PolarHBondContact O-N 2.74Å; R111-E170 PolarHBondContact O-N 3.26Å
112I98.8Very high98.4Very high0 Ų016.5 Ų16.50%08%0.084CC..EExtended strand (participates in β ladder)trans-116.2125.8175.8-49.5-60.9000107.4V90 A91 I93 E170 T172 A179 A180 F183V90-I112 HydrophobicContact CG1-CG1 3.76Å; A91-I112 PolarHBondContact O-N 3.37Å; I93-I112 PolarHBondContact N-O 3.12Å; I112-E170 WeakPolarHBondContact CA-O 2.85Å; I112-E170 HydrophobicContact CD1-CB 3.55Å; I112-E170 HydrophobicContact CG2-CB 4.37Å; I112-T172 HydrophobicContact CG2-CG2 4.48Å; I112-A179 HydrophobicContact CG2-CB 4Å; I112-A180 HydrophobicContact CB-CB 4.26Å; I112-A180 HydrophobicContact CG1-CB 4.19Å; I112-F183 HydrophobicContact CD1-CB 4.29Å; I112-F183 HydrophobicContact CD1-CD1 4.24Å; I112-F183 HydrophobicContact CD1-CD2 3.77Å; I112-F183 HydrophobicContact CD1-CE2 4.13Å; I112-F183 HydrophobicContact CD1-CG 3.83Å; I112-F183 HydrophobicContact CG1-CB 4.36Å; I112-F183 HydrophobicContact CG1-CG 4.33Å
113A98.8Very high98.3Very high0 Ų017.3 Ų17.30%09%0.088CC..EExtended strand (participates in β ladder)trans-120.5142.9-176.500000112.7I93 A117 A159 V168 E170 V171 T172I93-A113 HydrophobicContact CB-CB 4.02Å; I93-A113 HydrophobicContact CG2-CB 4.47Å; I93-A113 WeakPolarHBondContact O-CA 3.42Å; A113-A117 HydrophobicContact CB-CB 4.23Å; A113-A159 HydrophobicContact CB-CB 4.34Å; A113-V168 HydrophobicContact CB-CG1 3.75Å; A113-V168 HydrophobicContact CB-CG2 4.12Å; A113-E170 PolarHBondContact N-O 2.9Å; A113-V171 CarbonylContact O-C 3.56Å; A113-V171 VanDerWaalsContact O-CA 3.26Å; A113-V171 WeakPolarHBondContact O-CA 3.31Å; A113-T172 PolarHBondContact O-N 2.91Å
114H98.7Very high98.3Very high28 Ų2817.7 Ų17.713%0.139%0.091CC..EExtended strand (participates in β ladder)trans-66.2145.5165.7-175.2-79.3000109.8I93 E94 K116 A117 A159 T172 L174 A176I93-H114 PolarHBondContact O-N 3.01Å; E94-H114 IonicContact OE1-CD2 3.42Å; E94-H114 IonicContact OE1-CG 2.76Å; E94-H114 WeakPolarHBondContact OE2-CB 3.2Å; E94-H114 IonicContact OE2-CD2 2.59Å; E94-H114 IonicContact OE2-CG 3.57Å; H114-K116 PolarHBondContact ND1-N 2.96Å; H114-K116 PolarHBondContact O-N 2.77Å; H114-K116 VanDerWaalsContact O-N 3.16Å; H114-A117 WeakPolarHBondContact O-CB 3.43Å; H114-A117 PolarHBondContact O-N 3.46Å; H114-A159 VanDerWaalsContact O-CB 3.26Å; H114-A159 WeakPolarHBondContact O-CB 3.36Å; H114-T172 CarbonylContact C-O 3.45Å; H114-T172 VanDerWaalsContact CA-O 3.32Å; H114-T172 WeakPolarHBondContact CA-O 3.33Å; H114-L174 PolarHBondContact CD2-O 2.83Å; H114-A176 HydrophobicContact CB-CB 4.14Å
115S97.9Very high98.1Very high35 Ų3520.7 Ų20.725%0.24512%0.116CC..THydrogen-bonded Turntrans-58.7-31.2-175.562.60000114.4A117 A159 T172 D173S115-A117 VanDerWaalsContact C-N 3.32Å; S115-A159 WeakPolarHBondContact O-CB 3.23Å; S115-T172 PolarHBondContact N-O 2.89Å; S115-D173 WeakPolarHBondContact CB-OD1 3.46Å; S115-D173 PolarHBondContact OG-OD1 2.92Å
116K96.9Very high98Very high169 Ų16921.6 Ų21.674%0.73512%0.12SC*.THydrogen-bonded Turntrans-82.90.7174.1-59.3177.1-174.6170.10114.6H114H114-K116 PolarHBondContact ND1-N 2.96Å; H114-K116 PolarHBondContact O-N 2.77Å; H114-K116 VanDerWaalsContact O-N 3.16Å
117A98.1Very high97.9Very high1 Ų121.6 Ų21.61%0.00812%0.121CC..  trans-68.4149.7-179.900000111.7I93 G95 A113 H114 S115 L119 A159I93-A117 HydrophobicContact CG2-CB 4.11Å; G95-A117 CarbonylContact O-C 3.28Å; G95-A117 VanDerWaalsContact O-CA 3.28Å; G95-A117 WeakPolarHBondContact O-CA 3.12Å; A113-A117 HydrophobicContact CB-CB 4.23Å; H114-A117 WeakPolarHBondContact O-CB 3.43Å; H114-A117 PolarHBondContact O-N 3.46Å; S115-A117 VanDerWaalsContact C-N 3.32Å; A117-L119 HydrophobicContact CB-CD1 4.47Å; A117-A159 HydrophobicContact CB-CB 4.35Å; A117-A159 PolarHBondContact O-N 2.83Å
118T98.1Very high97.9Very high44 Ų4421.7 Ų21.727%0.2712%0.121SC..EExtended strand (participates in β ladder)trans-125.4130.9178.1-58.20000109.8G95 I96 A97 H156 V157G95-T118 PolarHBondContact O-N 2.97Å; I96-T118 WeakPolarHBondContact CA-O 3.39Å; A97-T118 PolarHBondContact N-O 3.04Å; T118-H156 HydrophobicContact CG2-CB 3.42Å; T118-H156 VanDerWaalsContact CG2-CB 3.42Å; T118-V157 WeakPolarHBondContact CA-O 3.43Å
119L98.6Very high97.9Very high0 Ų021.6 Ų21.60%012%0.12CC..EExtended strand (participates in β ladder)trans-126.7154.1-175.5-53.390.1000110.8I93 A97 L102 A117 H156 V157 A162 I167 V168I93-L119 HydrophobicContact CD1-CD2 3.87Å; A97-L119 HydrophobicContact CB-CD2 4.19Å; A97-L119 HydrophobicContact CB-CG 4.23Å; A97-L119 VanDerWaalsContact O-CA 3.3Å; A97-L119 WeakPolarHBondContact O-CA 3.15Å; L102-L119 HydrophobicContact CD1-CB 4.45Å; L102-L119 HydrophobicContact CD1-CD2 3.97Å; L102-L119 HydrophobicContact CD2-CB 4.5Å; A117-L119 HydrophobicContact CB-CD1 4.47Å; L119-H156 CarbonylContact O-C 3.56Å; L119-H156 WeakPolarHBondContact O-CA 3.44Å; L119-V157 HydrophobicContact CB-CG2 3.97Å; L119-V157 PolarHBondContact N-O 2.75Å; L119-V157 WeakPolarHBondContact O-CG2 3.4Å; L119-V157 PolarHBondContact O-N 2.84Å; L119-A162 HydrophobicContact CD1-CB 3.92Å; L119-I167 HydrophobicContact CD2-CG2 4.32Å; L119-V168 HydrophobicContact CD2-CG2 3.84Å
120G98.2Very high97.9Very high1 Ų121.6 Ų21.61%0.0112%0.12CC..EExtended strand (participates in β ladder)trans164177.8175.200000115.1A97 L98 G99 P122A97-G120 PolarHBondContact O-N 3.3Å; L98-G120 CarbonylContact C-O 3.57Å; L98-G120 WeakPolarHBondContact CA-O 3.31Å; G99-G120 PolarHBondContact N-O 3.21Å; G120-P122 WeakPolarHBondContact O-CD 3.43Å
121F98.4Very high97.8Very high0 Ų021.6 Ų21.60%013%0.127CC..  trans-118.576.9-178.1-74.9-63.1000112L102 E103 L106 E123 P130 L138 I151 G154L102-F121 HydrophobicContact CB-CE1 3.95Å; L102-F121 HydrophobicContact CB-CZ 4.02Å; L102-F121 HydrophobicContact CD2-CD1 4.47Å; L102-F121 HydrophobicContact CD2-CD2 3.86Å; L102-F121 HydrophobicContact CD2-CE1 4.08Å; L102-F121 HydrophobicContact CD2-CE2 3.41Å; L102-F121 VanDerWaalsContact CD2-CE2 3.41Å; L102-F121 HydrophobicContact CD2-CG 4.37Å; L102-F121 HydrophobicContact CD2-CZ 3.55Å; L102-F121 HydrophobicContact CG-CE1 4.07Å; L102-F121 HydrophobicContact CG-CE2 3.99Å; L102-F121 HydrophobicContact CG-CZ 3.6Å; E103-F121 HydrophobicContact CG-CE1 3.61Å; E103-F121 HydrophobicContact CG-CZ 4.31Å; L106-F121 HydrophobicContact CD1-CE2 4.29Å; L106-F121 HydrophobicContact CD1-CZ 3.78Å; F121-E123 WeakPolarHBondContact CA-OE2 3.35Å; F121-E123 WeakPolarHBondContact CB-OE2 3.5Å; F121-E123 PolarHBondContact O-N 3.18Å; F121-P130 HydrophobicContact CB-CG 3.74Å; F121-P130 HydrophobicContact CD1-CB 3.69Å; F121-P130 HydrophobicContact CD1-CG 3.47Å; F121-P130 VanDerWaalsContact CD1-CG 3.47Å; F121-P130 HydrophobicContact CD2-CG 4.5Å; F121-P130 HydrophobicContact CE1-CB 3.98Å; F121-P130 HydrophobicContact CE1-CG 4.21Å; F121-P130 HydrophobicContact CG-CB 4.32Å; F121-P130 HydrophobicContact CG-CG 3.65Å; F121-L138 HydrophobicContact CD2-CD2 3.76Å; F121-L138 HydrophobicContact CE2-CB 4.23Å; F121-L138 HydrophobicContact CE2-CD1 4.05Å; F121-L138 HydrophobicContact CE2-CD2 3.63Å; F121-L138 HydrophobicContact CE2-CG 4.18Å; F121-I151 HydrophobicContact CB-CG1 4.43Å; F121-I151 HydrophobicContact CD2-CG1 4.12Å; F121-I151 HydrophobicContact CG-CG1 4.48Å; F121-G154 VanDerWaalsContact O-CA 3.25Å; F121-G154 WeakPolarHBondContact O-CA 3.39Å
122P97.4Very high97.7Very high36 Ų3621.5 Ų21.523%0.23413%0.126CC..G310 helixtrans-77.96.2-174.734.5-36.8000114.4L98 G120 V124 A125L98-P122 HydrophobicContact CB-CG 4.2Å; G120-P122 WeakPolarHBondContact O-CD 3.43Å; P122-V124 PolarHBondContact O-N 3.06Å; P122-V124 VanDerWaalsContact O-N 3.17Å; P122-A125 WeakPolarHBondContact O-CB 3.47Å; P122-A125 PolarHBondContact O-N 3.05Å
123E98.1Very high97.6Very high19 Ų1921.5 Ų21.59%0.08913%0.126CC..G310 helixtrans-54-36-176.4-73.187.8161.600113.4G99 G100 F121 A125 L126 G127 L128G99-E123 VanDerWaalsContact CA-CD 3.45Å; G99-E123 WeakPolarHBondContact CA-OE1 3.28Å; G99-E123 WeakPolarHBondContact CA-OE2 3.34Å; G100-E123 PolarHBondContact N-OE1 2.91Å; F121-E123 WeakPolarHBondContact CA-OE2 3.35Å; F121-E123 WeakPolarHBondContact CB-OE2 3.5Å; F121-E123 PolarHBondContact O-N 3.18Å; E123-A125 PolarHBondContact O-N 3.12Å; E123-L126 CarbonylContact O-C 3.6Å; E123-L126 WeakPolarHBondContact O-CA 3.48Å; E123-L126 WeakPolarHBondContact O-CB 3.49Å; E123-L126 PolarHBondContact O-N 2.97Å; E123-G127 PolarHBondContact O-N 3.15Å; E123-L128 CarbonylContact C-O 3.6Å; E123-L128 HydrophobicContact CB-CB 4.15Å; E123-L128 PolarHBondContact O-N 2.92Å
124V97.6Very high97.6Very high13 Ų1321.5 Ų21.58%0.07913%0.126CC..G310 helixtrans-60.2-31.2178.270.70000112.5P122 L126 G127 L128 A228 P229P122-V124 PolarHBondContact O-N 3.06Å; P122-V124 VanDerWaalsContact O-N 3.17Å; V124-L126 PolarHBondContact O-N 2.87Å; V124-G127 PolarHBondContact O-N 3.49Å; V124-G127 VanDerWaalsContact O-N 3.09Å; V124-L128 VanDerWaalsContact CA-O 3.23Å; V124-L128 WeakPolarHBondContact CA-O 3.22Å; V124-L128 PolarHBondContact N-O 3.18Å; V124-A228 HydrophobicContact CG2-CB 4.26Å; V124-P229 HydrophobicContact CG2-CB 4Å; V124-P229 HydrophobicContact CG2-CG 3.66Å
125A95.3Very high97.6Very high63 Ų6320.2 Ų20.252%0.52112%0.12SC..G310 helixtrans-72.2-15.217600000113P122 E123P122-A125 WeakPolarHBondContact O-CB 3.47Å; P122-A125 PolarHBondContact O-N 3.05Å; E123-A125 PolarHBondContact O-N 3.12Å
126L96.3Very high97.6Very high19 Ų1918.5 Ų18.510%0.09911%0.109CC..G310 helixtrans-99.97.2172.4-60175.6000112.4I63 E123 V124 L128 Q268 F271I63-L126 HydrophobicContact CD1-CD1 3.6Å; I63-L126 HydrophobicContact CD1-CD2 4.28Å; I63-L126 HydrophobicContact CG1-CD1 3.96Å; E123-L126 CarbonylContact O-C 3.6Å; E123-L126 WeakPolarHBondContact O-CA 3.48Å; E123-L126 WeakPolarHBondContact O-CB 3.49Å; E123-L126 PolarHBondContact O-N 2.97Å; V124-L126 PolarHBondContact O-N 2.87Å; L126-L128 VanDerWaalsContact C-N 3.32Å; L126-Q268 HydrophobicContact CB-CG 4.32Å; L126-Q268 HydrophobicContact CD2-CG 4.46Å; L126-F271 HydrophobicContact CD2-CB 3.88Å; L126-F271 HydrophobicContact CD2-CD2 3.79Å; L126-F271 HydrophobicContact CD2-CE2 4.39Å; L126-F271 HydrophobicContact CD2-CG 3.84Å
127G96.8Very high97.7Very high1 Ų110.5 Ų10.51%0.017%0.074CC..THydrogen-bonded Turntrans75.621.8-177.800000113.7E123 V124 A228 L258 L267E123-G127 PolarHBondContact O-N 3.15Å; V124-G127 PolarHBondContact O-N 3.49Å; V124-G127 VanDerWaalsContact O-N 3.09Å; G127-A228 VanDerWaalsContact C-CB 3.46Å; G127-L258 WeakPolarHBondContact O-CB 3.43Å; G127-L267 VanDerWaalsContact N-CD1 3.32Å
128L97.7Very high97.7Very high2 Ų210.5 Ų10.51%0.017%0.073CC..  trans-120.9-171.9-177.8-59176.8000110.5F66 E123 V124 L126 F255 L258 F259 A264F66-L128 HydrophobicContact CD2-CD1 4.11Å; F66-L128 HydrophobicContact CE2-CD1 3.54Å; F66-L128 HydrophobicContact CZ-CD1 4.27Å; E123-L128 CarbonylContact C-O 3.6Å; E123-L128 HydrophobicContact CB-CB 4.15Å; E123-L128 PolarHBondContact O-N 2.92Å; V124-L128 VanDerWaalsContact CA-O 3.23Å; V124-L128 WeakPolarHBondContact CA-O 3.22Å; V124-L128 PolarHBondContact N-O 3.18Å; L126-L128 VanDerWaalsContact C-N 3.32Å; L128-F255 HydrophobicContact CB-CE2 4.29Å; L128-F255 HydrophobicContact CD1-CE2 4.34Å; L128-F255 HydrophobicContact CD1-CZ 4.41Å; L128-L258 HydrophobicContact CD2-CB 4.2Å; L128-F259 HydrophobicContact CD1-CD2 4.32Å; L128-F259 HydrophobicContact CD2-CB 4.08Å; L128-F259 HydrophobicContact CD2-CD2 3.93Å; L128-F259 HydrophobicContact CD2-CG 4.48Å; L128-A264 HydrophobicContact CD2-CB 4.07Å
129L98.3Very high97.7Very high0 Ų08.4 Ų8.40%06%0.061CC..  trans-134.7163.616960.481.7000109.3G131 T135 T231 C232 A235 E251 L254 F255 L258L129-G131 PolarHBondContact O-N 3.43Å; L129-G131 VanDerWaalsContact O-N 3.09Å; L129-T135 HydrophobicContact CD1-CG2 4.27Å; L129-T231 HydrophobicContact CD2-CG2 3.77Å; L129-C232 VanDerWaalsContact CB-SG 3.58Å; L129-A235 HydrophobicContact CD2-CB 4.07Å; L129-E251 HydrophobicContact CD1-CG 3.79Å; L129-L254 HydrophobicContact CD2-CB 3.76Å; L129-F255 HydrophobicContact CD1-CB 3.95Å; L129-F255 HydrophobicContact CD1-CD2 4.07Å; L129-F255 HydrophobicContact CG-CB 4.36Å; L129-F255 HydrophobicContact CG-CD2 4.32Å; L129-F255 VanDerWaalsContact O-CD2 3.3Å; L129-F255 WeakPolarHBondContact O-CD2 3.49Å; L129-F255 WeakPolarHBondContact O-CE2 3.11Å; L129-L258 HydrophobicContact CB-CD1 4.17Å; L129-L258 HydrophobicContact CD2-CD1 3.79Å; L129-L258 HydrophobicContact CG-CD1 3.99Å
130P98.2Very high97.7Very high0 Ų09.3 Ų9.30%06%0.064CC..  trans-60111.1172.1-22.834.2000110.6E103 F121 T135 I151 E251E103-P130 VanDerWaalsContact OE1-C 3.3Å; E103-P130 WeakPolarHBondContact OE1-CB 3.45Å; F121-P130 HydrophobicContact CB-CG 3.74Å; F121-P130 HydrophobicContact CD1-CB 3.69Å; F121-P130 HydrophobicContact CD1-CG 3.47Å; F121-P130 VanDerWaalsContact CD1-CG 3.47Å; F121-P130 HydrophobicContact CD2-CG 4.5Å; F121-P130 HydrophobicContact CE1-CB 3.98Å; F121-P130 HydrophobicContact CE1-CG 4.21Å; F121-P130 HydrophobicContact CG-CB 4.32Å; F121-P130 HydrophobicContact CG-CG 3.65Å; P130-T135 HydrophobicContact CB-CG2 4.04Å; P130-T135 HydrophobicContact CG-CG2 4.08Å; P130-T135 WeakPolarHBondContact O-CG2 3.49Å; P130-I151 HydrophobicContact CG-CG1 4.41Å; P130-I151 HydrophobicContact CG-CG2 4.12Å; P130-E251 WeakPolarHBondContact O-CG 3.22Å
131G96.5Very high97.6Very high20 Ų2011 Ų1121%0.2067%0.073CC..THydrogen-bonded Turntrans-107.48.5-165.700000115.3V76 E103 L129 E251V76-G131 WeakPolarHBondContact CG2-O 3.46Å; E103-G131 PolarHBondContact OE1-N 3.19Å; L129-G131 PolarHBondContact O-N 3.43Å; L129-G131 VanDerWaalsContact O-N 3.09Å; G131-E251 VanDerWaalsContact C-OE1 3.28Å
132A96.9Very high97.6Very high1 Ų112.2 Ų12.21%0.0088%0.079CC..THydrogen-bonded Turntrans-121.240.9175.200000113.3L75 V76 V79 E103 R137L75-A132 HydrophobicContact CB-CB 3.93Å; L75-A132 HydrophobicContact CD2-CB 3.48Å; L75-A132 VanDerWaalsContact CD2-CB 3.48Å; L75-A132 HydrophobicContact CG-CB 3.36Å; V76-A132 HydrophobicContact CG2-CB 4.06Å; V79-A132 HydrophobicContact CG2-CB 4.45Å; E103-A132 HydrophobicContact CB-CB 4.29Å; E103-A132 VanDerWaalsContact CD-N 3.33Å; E103-A132 VanDerWaalsContact OE1-C 3.22Å; E103-A132 VanDerWaalsContact OE1-CA 3.28Å; E103-A132 WeakPolarHBondContact OE1-CA 3.36Å; E103-A132 PolarHBondContact OE1-N 2.82Å; E103-A132 WeakPolarHBondContact OE2-CB 3.37Å; E103-A132 PolarHBondContact OE2-N 3.44Å; A132-R137 PolarHBondContact O-NH1 3.05Å
133G97.3Very high97.6Very high0 Ų011.2 Ų11.20%08%0.075CC..THydrogen-bonded Turntrans85.59.4176.200000113.8E103 T135 Q136 R137 M248 E251E103-G133 PolarHBondContact OE1-N 3.33Å; G133-T135 VanDerWaalsContact C-N 3.31Å; G133-T135 PolarHBondContact O-N 3.46Å; G133-Q136 PolarHBondContact O-N 3.39Å; G133-Q136 VanDerWaalsContact O-N 3.17Å; G133-R137 WeakPolarHBondContact O-CB 3.13Å; G133-R137 WeakPolarHBondContact O-CG 3.31Å; G133-R137 PolarHBondContact O-N 3.2Å; G133-M248 WeakPolarHBondContact CA-SD 3.48Å; G133-E251 VanDerWaalsContact CA-OE1 3.23Å; G133-E251 WeakPolarHBondContact CA-OE1 3.32Å; G133-E251 VanDerWaalsContact CA-OE2 3.28Å; G133-E251 WeakPolarHBondContact CA-OE2 3.29Å; G133-E251 PolarHBondContact N-OE1 3.14Å; G133-E251 PolarHBondContact N-OE2 3.07Å
134G98.3Very high97.6Very high0 Ų010.3 Ų10.30%07%0.071CC..Hα-helixtrans-58.8-41.9173.500000112.2E103 Q136 L138E103-G134 WeakPolarHBondContact OE1-CA 3.44Å; E103-G134 PolarHBondContact OE1-N 3.39Å; G134-Q136 PolarHBondContact O-N 3.44Å; G134-L138 WeakPolarHBondContact O-CB 3.32Å; G134-L138 PolarHBondContact O-N 2.64Å; G134-L138 VanDerWaalsContact O-N 3.08Å
135T98.6Very high97.5Very high0 Ų013.1 Ų13.10%09%0.089CC..Hα-helixtrans-71.9-16.6178.270.90000113L129 P130 G133 P139 I151 A235 E251L129-T135 HydrophobicContact CD1-CG2 4.27Å; P130-T135 HydrophobicContact CB-CG2 4.04Å; P130-T135 HydrophobicContact CG-CG2 4.08Å; P130-T135 WeakPolarHBondContact O-CG2 3.49Å; G133-T135 VanDerWaalsContact C-N 3.31Å; G133-T135 PolarHBondContact O-N 3.46Å; T135-P139 WeakPolarHBondContact O-CD 3.48Å; T135-P139 WeakPolarHBondContact O-CG 3.38Å; T135-I151 HydrophobicContact CG2-CD1 4.26Å; T135-I151 HydrophobicContact CG2-CG2 4.21Å; T135-A235 HydrophobicContact CG2-CB 3.87Å; T135-E251 WeakPolarHBondContact CB-OE2 3.18Å; T135-E251 PolarHBondContact N-OE2 3.43Å; T135-E251 VanDerWaalsContact OG1-CD 3.31Å; T135-E251 WeakPolarHBondContact OG1-CG 3.34Å; T135-E251 PolarHBondContact OG1-OE2 2.92Å
136Q98.6Very high97.7Very high0 Ų011.3 Ų11.30%07%0.074CC..Hα-helixtrans-95.9-42179.1-52.5-51-6000112.3G133 G134 R140 A235 A239 Y244 G247 M248 E251G133-Q136 PolarHBondContact O-N 3.39Å; G133-Q136 VanDerWaalsContact O-N 3.17Å; G134-Q136 PolarHBondContact O-N 3.44Å; Q136-R140 WeakPolarHBondContact O-CD 3.41Å; Q136-R140 PolarHBondContact O-NH1 3.25Å; Q136-A235 PolarHBondContact NE2-O 2.69Å; Q136-A239 VanDerWaalsContact OE1-CA 3.25Å; Q136-Y244 HydrophobicContact CB-CD2 4.17Å; Q136-Y244 HydrophobicContact CB-CE2 3.74Å; Q136-G247 VanDerWaalsContact OE1-CA 3.24Å; Q136-M248 HydrophobicContact CB-SD 3.92Å; Q136-M248 HydrophobicContact CG-CG 4.28Å; Q136-M248 HydrophobicContact CG-SD 3.6Å; Q136-M248 VanDerWaalsContact CG-SD 3.6Å; Q136-E251 HydrophobicContact CG-CB 4.38Å
137R98.4Very high97.8Very high1 Ų110.4 Ų10.40%0.0047%0.069CC..Hα-helixtrans-77.8-40-178.7-70.3-173.1-17483.21.5112.5H80 E83 L106 A132 G133 R140 L141 I197 Y244H80-R137 PolarHBondContact CD2-NH2 3.49Å; H80-R137 VanDerWaalsContact CD2-NH2 3.29Å; E83-R137 IonicContact OE1-NE 3.68Å; E83-R137 IonicContact OE2-CZ 2.87Å; E83-R137 VanDerWaalsContact OE2-CZ 3.24Å; E83-R137 IonicContact OE2-NE 2.97Å; E83-R137 PolarHBondContact OE2-NE 3.14Å; E83-R137 IonicContact OE2-NH2 3.89Å; E83-R137 PolarHBondContact OE2-NH2 3.4Å; L106-R137 HydrophobicContact CD1-CB 4.39Å; A132-R137 PolarHBondContact O-NH1 3.05Å; G133-R137 WeakPolarHBondContact O-CB 3.13Å; G133-R137 WeakPolarHBondContact O-CG 3.31Å; G133-R137 PolarHBondContact O-N 3.2Å; R137-R140 WeakPolarHBondContact O-CB 3.49Å; R137-R140 PolarHBondContact O-N 2.89Å; R137-L141 PolarHBondContact O-N 2.75Å; R137-L141 VanDerWaalsContact O-N 3.16Å; R137-I197 HydrophobicContact CB-CB 4.4Å; R137-I197 HydrophobicContact CB-CG2 3.79Å; R137-I197 HydrophobicContact CG-CB 4.3Å; R137-I197 HydrophobicContact CG-CG2 4.12Å; R137-I197 WeakPolarHBondContact O-CG2 3.23Å; R137-Y244 HydrophobicContact CG-CE2 4.37Å; R137-Y244 PolarHBondContact NH2-OH 2.56Å
138L98.3Very high97.8Very high0 Ų010.8 Ų10.80%07%0.071CC..Hα-helixtrans-62.4-47.7-174.6-167.570.6000112.9L106 F121 G134 R140 L141 I142 A147 L150 I151 I167L106-L138 HydrophobicContact CD1-CD1 4.42Å; F121-L138 HydrophobicContact CD2-CD2 3.76Å; F121-L138 HydrophobicContact CE2-CB 4.23Å; F121-L138 HydrophobicContact CE2-CD1 4.05Å; F121-L138 HydrophobicContact CE2-CD2 3.63Å; F121-L138 HydrophobicContact CE2-CG 4.18Å; G134-L138 WeakPolarHBondContact O-CB 3.32Å; G134-L138 PolarHBondContact O-N 2.64Å; G134-L138 VanDerWaalsContact O-N 3.08Å; L138-R140 PolarHBondContact O-N 3.22Å; L138-L141 PolarHBondContact O-N 3.5Å; L138-I142 HydrophobicContact CD1-CD1 3.78Å; L138-I142 HydrophobicContact CD1-CG1 4.21Å; L138-I142 HydrophobicContact CD1-CG2 4.36Å; L138-I142 HydrophobicContact CD2-CD1 4.07Å; L138-I142 HydrophobicContact CG-CD1 3.72Å; L138-I142 HydrophobicContact CG-CG1 4.01Å; L138-I142 WeakPolarHBondContact O-CG1 3.38Å; L138-I142 PolarHBondContact O-N 2.77Å; L138-A147 HydrophobicContact CB-CB 4.38Å; L138-A147 HydrophobicContact CD2-CB 3.94Å; L138-A147 HydrophobicContact CG-CB 4.04Å; L138-L150 HydrophobicContact CD2-CB 4.26Å; L138-L150 HydrophobicContact CD2-CD1 4.36Å; L138-I151 HydrophobicContact CB-CD1 4.43Å; L138-I151 HydrophobicContact CD2-CD1 3.83Å; L138-I151 HydrophobicContact CD2-CG1 3.9Å; L138-I167 HydrophobicContact CD1-CD1 4.25Å; L138-I167 HydrophobicContact CD1-CG1 4.28Å
139P98.3Very high97.8Very high0 Ų013.4 Ų13.40%09%0.085CC..Hα-helixtrans-63.8-29.5178.9-20.132.6000113.5T135 L141 G143 V144 A147 V236 A239T135-P139 WeakPolarHBondContact O-CD 3.48Å; T135-P139 WeakPolarHBondContact O-CG 3.38Å; P139-L141 VanDerWaalsContact C-N 3.29Å; P139-G143 CarbonylContact O-C 3.59Å; P139-G143 WeakPolarHBondContact O-CA 3.5Å; P139-G143 PolarHBondContact O-N 3.04Å; P139-V144 HydrophobicContact CB-CG2 4.36Å; P139-A147 HydrophobicContact CB-CB 4.02Å; P139-A147 HydrophobicContact CG-CB 3.69Å; P139-V236 HydrophobicContact CB-CG1 4.43Å; P139-V236 HydrophobicContact CG-CG1 3.82Å; P139-V236 HydrophobicContact CG-CG2 4.49Å; P139-A239 HydrophobicContact CB-CB 4.33Å; P139-A239 HydrophobicContact CG-CB 4.03Å
140R98Very high97.8Very high19 Ų1913.5 Ų13.57%0.0729%0.086CC..Hα-helixtrans-68.7-29.3173.8-73.1172.6171.469.210112.6Q136 R137 L138 I197 Y200 C202 A239Q136-R140 WeakPolarHBondContact O-CD 3.41Å; Q136-R140 PolarHBondContact O-NH1 3.25Å; R137-R140 WeakPolarHBondContact O-CB 3.49Å; R137-R140 PolarHBondContact O-N 2.89Å; L138-R140 PolarHBondContact O-N 3.22Å; R140-I197 HydrophobicContact CB-CG2 4.16Å; R140-I197 WeakPolarHBondContact CD-O 3.28Å; R140-Y200 VanDerWaalsContact CD-O 3.31Å; R140-Y200 WeakPolarHBondContact CD-O 3.41Å; R140-Y200 PolarHBondContact NE-O 3.1Å; R140-C202 HydrophobicContact CG-CB 3.85Å; R140-A239 PolarHBondContact NH1-O 3.29Å; R140-A239 PolarHBondContact NH2-O 2.92Å
141L96.9Very high97.8Very high38 Ų3813.5 Ų13.520%0.1999%0.086CC..Hα-helixtrans-88.2-44.6-177.4-170.865.4000112.6L106 R137 L138 P139 G166 I197 Y200L106-L141 HydrophobicContact CD2-CD2 3.77Å; R137-L141 PolarHBondContact O-N 2.75Å; R137-L141 VanDerWaalsContact O-N 3.16Å; L138-L141 PolarHBondContact O-N 3.5Å; P139-L141 VanDerWaalsContact C-N 3.29Å; L141-G166 WeakPolarHBondContact CD2-O 3.39Å; L141-I197 HydrophobicContact CB-CG2 4.35Å; L141-I197 HydrophobicContact CD1-CD1 4.28Å; L141-I197 HydrophobicContact CD2-CD1 4.09Å; L141-Y200 HydrophobicContact CD1-CE2 4.29Å
142I97.4Very high97.8Very high25 Ų2513.7 Ų13.713%0.1288%0.083CC..Hα-helixtrans-1201.9-16976.1174.2000114L138 A146 A147 L150 L165 I167L138-I142 HydrophobicContact CD1-CD1 3.78Å; L138-I142 HydrophobicContact CD1-CG1 4.21Å; L138-I142 HydrophobicContact CD1-CG2 4.36Å; L138-I142 HydrophobicContact CD2-CD1 4.07Å; L138-I142 HydrophobicContact CG-CD1 3.72Å; L138-I142 HydrophobicContact CG-CG1 4.01Å; L138-I142 WeakPolarHBondContact O-CG1 3.38Å; L138-I142 PolarHBondContact O-N 2.77Å; I142-A146 HydrophobicContact CD1-CB 3.72Å; I142-A146 HydrophobicContact CG1-CB 3.92Å; I142-A147 HydrophobicContact CD1-CB 4.49Å; I142-A147 HydrophobicContact CG1-CB 4.3Å; I142-L150 HydrophobicContact CD1-CD1 3.91Å; I142-L165 HydrophobicContact CB-CB 4.49Å; I142-L165 HydrophobicContact CG2-CB 4.18Å; I142-L165 WeakPolarHBondContact CG2-O 3.44Å; I142-I167 HydrophobicContact CD1-CD1 4.39Å; I142-I167 HydrophobicContact CG2-CD1 4.49Å; I142-I167 HydrophobicContact CG2-CG1 3.67Å
143G97.8Very high97.8Very high14 Ų1416.7 Ų16.714%0.14410%0.101CC..  trans82.3160-174.700000114.1P139 A147P139-G143 CarbonylContact O-C 3.59Å; P139-G143 WeakPolarHBondContact O-CA 3.5Å; P139-G143 PolarHBondContact O-N 3.04Å; G143-A147 WeakPolarHBondContact O-CB 3.49Å; G143-A147 PolarHBondContact O-N 3Å
144V97.6Very high97.7Very high0 Ų017.2 Ų17.20%011%0.106CC..Hα-helixtrans-61-47.6-175.11730000113.5P139 A146 A147 L148 I211 F212 V236 V240P139-V144 HydrophobicContact CB-CG2 4.36Å; V144-A146 PolarHBondContact O-N 3.16Å; V144-A147 PolarHBondContact O-N 3.41Å; V144-L148 HydrophobicContact CG1-CD1 3.79Å; V144-L148 HydrophobicContact CG1-CG 4.2Å; V144-L148 WeakPolarHBondContact O-CG 3.32Å; V144-L148 PolarHBondContact O-N 3.19Å; V144-I211 HydrophobicContact CG1-CG2 4.4Å; V144-F212 HydrophobicContact CG1-CE2 3.76Å; V144-F212 HydrophobicContact CG1-CZ 3.62Å; V144-V236 HydrophobicContact CG1-CG1 4.27Å; V144-V240 HydrophobicContact CG2-CB 4.21Å; V144-V240 HydrophobicContact CG2-CG1 4.43Å; V144-V240 HydrophobicContact CG2-CG2 4.44Å
145P97Very high97.6Very high73 Ų7321.3 Ų21.347%0.47412%0.122SC..Hα-helixtrans-62.8-45.1-175.1-25.136.1000113.6L148 D149 I211P145-L148 PolarHBondContact O-N 3.43Å; P145-D149 PolarHBondContact O-N 3.28Å; P145-D149 VanDerWaalsContact O-N 3.12Å; P145-I211 HydrophobicContact CG-CD1 4.29Å
146A97.6Very high97.6Very high24 Ų2425.7 Ų25.720%0.19814%0.142CC..Hα-helixtrans-68.1-37.3178.600000111.5I142 V144 D149 L150 L165I142-A146 HydrophobicContact CD1-CB 3.72Å; I142-A146 HydrophobicContact CG1-CB 3.92Å; V144-A146 PolarHBondContact O-N 3.16Å; A146-D149 PolarHBondContact O-N 3.19Å; A146-L150 WeakPolarHBondContact O-CG 3.09Å; A146-L150 PolarHBondContact O-N 3.35Å; A146-L150 VanDerWaalsContact O-N 3.08Å; A146-L165 HydrophobicContact CB-CD2 4.21Å
147A98.3Very high97.5Very high0 Ų025.8 Ų25.80%014%0.143CC..Hα-helixtrans-66.4-40.7175.600000112.6L138 P139 I142 G143 V144 D149 L150 I151L138-A147 HydrophobicContact CB-CB 4.38Å; L138-A147 HydrophobicContact CD2-CB 3.94Å; L138-A147 HydrophobicContact CG-CB 4.04Å; P139-A147 HydrophobicContact CB-CB 4.02Å; P139-A147 HydrophobicContact CG-CB 3.69Å; I142-A147 HydrophobicContact CD1-CB 4.49Å; I142-A147 HydrophobicContact CG1-CB 4.3Å; G143-A147 WeakPolarHBondContact O-CB 3.49Å; G143-A147 PolarHBondContact O-N 3Å; V144-A147 PolarHBondContact O-N 3.41Å; A147-D149 PolarHBondContact O-N 2.85Å; A147-L150 PolarHBondContact O-N 3.09Å; A147-I151 HydrophobicContact CB-CD1 4.37Å; A147-I151 VanDerWaalsContact O-CB 3.31Å; A147-I151 WeakPolarHBondContact O-CB 3.26Å; A147-I151 VanDerWaalsContact O-CG1 3.27Å; A147-I151 WeakPolarHBondContact O-CG1 3.42Å; A147-I151 PolarHBondContact O-N 2.97Å
148L98.1Very high97.5Very high9 Ų929.4 Ų29.45%0.04717%0.165CC..Hα-helixtrans-58.9-46.8174.2-79.3172000111.3V144 P145 T152 I211 F212 A215 V233 V236V144-L148 HydrophobicContact CG1-CD1 3.79Å; V144-L148 HydrophobicContact CG1-CG 4.2Å; V144-L148 WeakPolarHBondContact O-CG 3.32Å; V144-L148 PolarHBondContact O-N 3.19Å; P145-L148 PolarHBondContact O-N 3.43Å; L148-T152 HydrophobicContact CD2-CG2 4.39Å; L148-T152 VanDerWaalsContact O-CB 3.27Å; L148-T152 WeakPolarHBondContact O-CB 3.06Å; L148-T152 VanDerWaalsContact O-CG2 3.24Å; L148-T152 WeakPolarHBondContact O-CG2 3.28Å; L148-T152 PolarHBondContact O-N 3.5Å; L148-T152 PolarHBondContact O-OG1 2.73Å; L148-I211 HydrophobicContact CD1-CG2 3.76Å; L148-F212 HydrophobicContact CD1-CD1 4.41Å; L148-F212 HydrophobicContact CD1-CE1 4.11Å; L148-F212 HydrophobicContact CD1-CZ 4.39Å; L148-F212 HydrophobicContact CD2-CE1 3.98Å; L148-F212 HydrophobicContact CG-CE1 4.47Å; L148-A215 HydrophobicContact CD1-CB 4.05Å; L148-V233 HydrophobicContact CD2-CB 4.34Å; L148-V233 HydrophobicContact CD2-CG1 4.17Å; L148-V233 HydrophobicContact CD2-CG2 4.2Å; L148-V236 HydrophobicContact CD2-CB 3.83Å; L148-V236 HydrophobicContact CD2-CG1 3.83Å; L148-V236 HydrophobicContact CD2-CG2 4.24Å; L148-V236 HydrophobicContact CG-CB 4.46Å; L148-V236 HydrophobicContact CG-CG1 3.91Å
149D97.1Very high97.5Very high57 Ų5729.4 Ų29.431%0.30517%0.165SC..Hα-helixtrans-57.6-52.5176.9174.750.7000111.7P145 A146 A147 I151 T153 R155P145-D149 PolarHBondContact O-N 3.28Å; P145-D149 VanDerWaalsContact O-N 3.12Å; A146-D149 PolarHBondContact O-N 3.19Å; A147-D149 PolarHBondContact O-N 2.85Å; D149-I151 PolarHBondContact O-N 3.03Å; D149-T153 VanDerWaalsContact O-CB 3.32Å; D149-T153 WeakPolarHBondContact O-CB 3.46Å; D149-T153 VanDerWaalsContact O-CG2 3.25Å; D149-T153 WeakPolarHBondContact O-CG2 3.26Å; D149-T153 PolarHBondContact O-N 3.29Å; D149-T153 PolarHBondContact O-OG1 3.48Å; D149-R155 IonicContact OD1-NE 3.99Å; D149-R155 IonicContact OD2-CZ 3.7Å; D149-R155 IonicContact OD2-NE 3.45Å; D149-R155 PolarHBondContact OD2-NE 2.99Å; D149-R155 IonicContact OD2-NH2 3.87Å; D149-R155 PolarHBondContact OD2-NH2 3.34Å
150L98.3Very high97.4Very high2 Ų232.6 Ų32.61%0.0119%0.191CC..Hα-helixtrans-65.7-40.8-177.7-65.3-174.7000113.5L138 I142 A146 A147 G154 R155 V157 L165 I167L138-L150 HydrophobicContact CD2-CB 4.26Å; L138-L150 HydrophobicContact CD2-CD1 4.36Å; I142-L150 HydrophobicContact CD1-CD1 3.91Å; A146-L150 WeakPolarHBondContact O-CG 3.09Å; A146-L150 PolarHBondContact O-N 3.35Å; A146-L150 VanDerWaalsContact O-N 3.08Å; A147-L150 PolarHBondContact O-N 3.09Å; L150-G154 VanDerWaalsContact O-CA 3.32Å; L150-G154 WeakPolarHBondContact O-CA 3.29Å; L150-G154 PolarHBondContact O-N 2.66Å; L150-G154 VanDerWaalsContact O-N 3.08Å; L150-R155 HydrophobicContact CD2-CG 3.81Å; L150-R155 VanDerWaalsContact CD2-CZ 3.5Å; L150-V157 HydrophobicContact CD1-CG1 4.06Å; L150-V157 HydrophobicContact CD2-CG1 3.41Å; L150-V157 VanDerWaalsContact CD2-CG1 3.41Å; L150-V157 HydrophobicContact CG-CG1 4.39Å; L150-L165 HydrophobicContact CD1-CD1 4.39Å; L150-I167 HydrophobicContact CD1-CD1 3.94Å
151I98.6Very high97.4Very high0 Ų034.1 Ų34.10%020%0.199CC..Hα-helixtrans-80.9-37.2-174.1-64.5166.7000111.8F121 P130 T135 L138 A147 D149 C232 V236F121-I151 HydrophobicContact CB-CG1 4.43Å; F121-I151 HydrophobicContact CD2-CG1 4.12Å; F121-I151 HydrophobicContact CG-CG1 4.48Å; P130-I151 HydrophobicContact CG-CG1 4.41Å; P130-I151 HydrophobicContact CG-CG2 4.12Å; T135-I151 HydrophobicContact CG2-CD1 4.26Å; T135-I151 HydrophobicContact CG2-CG2 4.21Å; L138-I151 HydrophobicContact CB-CD1 4.43Å; L138-I151 HydrophobicContact CD2-CD1 3.83Å; L138-I151 HydrophobicContact CD2-CG1 3.9Å; A147-I151 HydrophobicContact CB-CD1 4.37Å; A147-I151 VanDerWaalsContact O-CB 3.31Å; A147-I151 WeakPolarHBondContact O-CB 3.26Å; A147-I151 VanDerWaalsContact O-CG1 3.27Å; A147-I151 WeakPolarHBondContact O-CG1 3.42Å; A147-I151 PolarHBondContact O-N 2.97Å; D149-I151 PolarHBondContact O-N 3.03Å; I151-C232 HydrophobicContact CG2-CB 3.83Å; I151-V236 HydrophobicContact CD1-CG2 3.61Å
152T97Very high97.5Very high24 Ų2432.3 Ų32.315%0.14719%0.19CC..Hα-helixtrans-82.7-27.7-176.964.30000113.1L148 C232 V233L148-T152 HydrophobicContact CD2-CG2 4.39Å; L148-T152 VanDerWaalsContact O-CB 3.27Å; L148-T152 WeakPolarHBondContact O-CB 3.06Å; L148-T152 VanDerWaalsContact O-CG2 3.24Å; L148-T152 WeakPolarHBondContact O-CG2 3.28Å; L148-T152 PolarHBondContact O-N 3.5Å; L148-T152 PolarHBondContact O-OG1 2.73Å; T152-C232 HydrophobicContact CG2-CB 3.98Å; T152-V233 HydrophobicContact CG2-CG2 3.59Å
153T95.8Very high97.5Very high65 Ų6537.1 Ų37.140%0.39921%0.206SC..Hα-helixtrans-91.7-25.8176.369.50000112.5D149 R155D149-T153 VanDerWaalsContact O-CB 3.32Å; D149-T153 WeakPolarHBondContact O-CB 3.46Å; D149-T153 VanDerWaalsContact O-CG2 3.25Å; D149-T153 WeakPolarHBondContact O-CG2 3.26Å; D149-T153 PolarHBondContact O-N 3.29Å; D149-T153 PolarHBondContact O-OG1 3.48Å; T153-R155 PolarHBondContact O-N 2.9Å; T153-R155 WeakPolarHBondContact OG1-CB 3.5Å; T153-R155 WeakPolarHBondContact OG1-CG 3.38Å; T153-R155 PolarHBondContact OG1-N 2.8Å; T153-R155 VanDerWaalsContact OG1-N 3.14Å
154G96.7Very high97.5Very high10 Ų1044.7 Ų44.710%0.10324%0.238CC..  trans6417.3-171.200000113.8F121 L150F121-G154 VanDerWaalsContact O-CA 3.25Å; F121-G154 WeakPolarHBondContact O-CA 3.39Å; L150-G154 VanDerWaalsContact O-CA 3.32Å; L150-G154 WeakPolarHBondContact O-CA 3.29Å; L150-G154 PolarHBondContact O-N 2.66Å; L150-G154 VanDerWaalsContact O-N 3.08Å
155R96.2Very high97.5Very high87 Ų8747 Ų4733%0.32825%0.25SS..  trans-65.5153.8179.577.9177-177.483.90110.7D149 L150 T153 E161D149-R155 IonicContact OD1-NE 3.99Å; D149-R155 IonicContact OD2-CZ 3.7Å; D149-R155 IonicContact OD2-NE 3.45Å; D149-R155 PolarHBondContact OD2-NE 2.99Å; D149-R155 IonicContact OD2-NH2 3.87Å; D149-R155 PolarHBondContact OD2-NH2 3.34Å; L150-R155 HydrophobicContact CD2-CG 3.81Å; L150-R155 VanDerWaalsContact CD2-CZ 3.5Å; T153-R155 PolarHBondContact O-N 2.9Å; T153-R155 WeakPolarHBondContact OG1-CB 3.5Å; T153-R155 WeakPolarHBondContact OG1-CG 3.38Å; T153-R155 PolarHBondContact OG1-N 2.8Å; T153-R155 VanDerWaalsContact OG1-N 3.14Å; R155-E161 IonicContact CZ-OE1 3.41Å; R155-E161 VanDerWaalsContact CZ-OE1 3.26Å; R155-E161 IonicContact NH1-OE1 3.1Å; R155-E161 PolarHBondContact NH1-OE1 3.37Å; R155-E161 IonicContact NH1-OE2 3.75Å; R155-E161 PolarHBondContact NH1-OE2 3.14Å; R155-E161 IonicContact NH2-OE1 2.7Å; R155-E161 PolarHBondContact NH2-OE1 2.53Å
156H97.2Very high97.5Very high92 Ų9244.9 Ų44.943%0.42624%0.241SC..EExtended strand (participates in β ladder)trans-90.9153173.8-57.5168.4000111.3T118 L119T118-H156 HydrophobicContact CG2-CB 3.42Å; T118-H156 VanDerWaalsContact CG2-CB 3.42Å; L119-H156 CarbonylContact O-C 3.56Å; L119-H156 WeakPolarHBondContact O-CA 3.44Å
157V97.3Very high97.6Very high2 Ų243.7 Ų43.71%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-113.9147.9171.2-60.60000110.3T118 L119 L150 E161 A162 I167T118-V157 WeakPolarHBondContact CA-O 3.43Å; L119-V157 HydrophobicContact CB-CG2 3.97Å; L119-V157 PolarHBondContact N-O 2.75Å; L119-V157 WeakPolarHBondContact O-CG2 3.4Å; L119-V157 PolarHBondContact O-N 2.84Å; L150-V157 HydrophobicContact CD1-CG1 4.06Å; L150-V157 HydrophobicContact CD2-CG1 3.41Å; L150-V157 VanDerWaalsContact CD2-CG1 3.41Å; L150-V157 HydrophobicContact CG-CG1 4.39Å; V157-E161 HydrophobicContact CB-CB 4.23Å; V157-E161 HydrophobicContact CB-CG 4.18Å; V157-E161 VanDerWaalsContact CG1-CD 3.49Å; V157-E161 HydrophobicContact CG1-CG 4.19Å; V157-E161 WeakPolarHBondContact CG1-OE1 3.3Å; V157-A162 HydrophobicContact CG2-CB 3.92Å; V157-I167 HydrophobicContact CG2-CD1 4.37Å
158T97.8Very high97.6Very high77 Ų7743.7 Ų43.747%0.47223%0.232SC..EExtended strand (participates in β ladder)trans-74.1162.2170.865.30000110.4A160 E161 A162T158-A160 PolarHBondContact O-N 3.25Å; T158-E161 PolarHBondContact O-N 3.22Å; T158-E161 PolarHBondContact OG1-N 2.9Å; T158-A162 VanDerWaalsContact O-CB 3.29Å; T158-A162 WeakPolarHBondContact O-CB 3.33Å; T158-A162 PolarHBondContact O-N 3.06Å
159A97.8Very high97.6Very high0 Ų044.7 Ų44.70%024%0.237CC..Hα-helixtrans-56.2-37.6173.100000112.5A113 H114 S115 A117 A162 R163 V171A113-A159 HydrophobicContact CB-CB 4.34Å; H114-A159 VanDerWaalsContact O-CB 3.26Å; H114-A159 WeakPolarHBondContact O-CB 3.36Å; S115-A159 WeakPolarHBondContact O-CB 3.23Å; A117-A159 HydrophobicContact CB-CB 4.35Å; A117-A159 PolarHBondContact O-N 2.83Å; A159-A162 PolarHBondContact O-N 2.95Å; A159-R163 WeakPolarHBondContact O-CB 3.39Å; A159-R163 PolarHBondContact O-N 2.64Å; A159-V171 HydrophobicContact CB-CG1 4.02Å; A159-V171 HydrophobicContact CB-CG2 4.12Å; A159-V171 WeakPolarHBondContact O-CG2 3.27Å
160A97.3Very high97.6Very high67 Ų6745.9 Ų45.955%0.55424%0.24SC*.Hα-helixtrans-64.7-47.3177.500000112.5T158 R163 Q164T158-A160 PolarHBondContact O-N 3.25Å; A160-R163 WeakPolarHBondContact O-CB 3.47Å; A160-R163 PolarHBondContact O-N 3.28Å; A160-Q164 PolarHBondContact O-N 3.38Å
161E97.7Very high97.6Very high51 Ų5148 Ų4824%0.23825%0.254CS..Hα-helixtrans-64.4-42.5175.1-177.2-175.5173.100111R155 V157 T158 R163 Q164 L165R155-E161 IonicContact CZ-OE1 3.41Å; R155-E161 VanDerWaalsContact CZ-OE1 3.26Å; R155-E161 IonicContact NH1-OE1 3.1Å; R155-E161 PolarHBondContact NH1-OE1 3.37Å; R155-E161 IonicContact NH1-OE2 3.75Å; R155-E161 PolarHBondContact NH1-OE2 3.14Å; R155-E161 IonicContact NH2-OE1 2.7Å; R155-E161 PolarHBondContact NH2-OE1 2.53Å; V157-E161 HydrophobicContact CB-CB 4.23Å; V157-E161 HydrophobicContact CB-CG 4.18Å; V157-E161 VanDerWaalsContact CG1-CD 3.49Å; V157-E161 HydrophobicContact CG1-CG 4.19Å; V157-E161 WeakPolarHBondContact CG1-OE1 3.3Å; T158-E161 PolarHBondContact O-N 3.22Å; T158-E161 PolarHBondContact OG1-N 2.9Å; E161-R163 VanDerWaalsContact C-N 3.26Å; E161-R163 PolarHBondContact O-N 3.35Å; E161-Q164 PolarHBondContact O-N 3.01Å; E161-Q164 VanDerWaalsContact O-N 3.14Å; E161-L165 HydrophobicContact CG-CD1 4Å; E161-L165 HydrophobicContact CG-CG 4.4Å; E161-L165 WeakPolarHBondContact O-CG 3.41Å; E161-L165 PolarHBondContact O-N 3.11Å
162A98.3Very high97.6Very high0 Ų049 Ų490%026%0.259CS..Hα-helixtrans-59.9-36.6176.900000112.3L119 V157 T158 A159 G166 I167 V168L119-A162 HydrophobicContact CD1-CB 3.92Å; V157-A162 HydrophobicContact CG2-CB 3.92Å; T158-A162 VanDerWaalsContact O-CB 3.29Å; T158-A162 WeakPolarHBondContact O-CB 3.33Å; T158-A162 PolarHBondContact O-N 3.06Å; A159-A162 PolarHBondContact O-N 2.95Å; A162-G166 PolarHBondContact O-N 3.12Å; A162-I167 HydrophobicContact CB-CB 4.09Å; A162-I167 WeakPolarHBondContact O-CA 3.3Å; A162-I167 WeakPolarHBondContact O-CB 3.15Å; A162-I167 PolarHBondContact O-N 3.38Å; A162-V168 HydrophobicContact CB-CB 4.44Å; A162-V168 HydrophobicContact CB-CG2 3.88Å; A162-V168 PolarHBondContact O-N 3.07Å
163R98.3Very high97.6Very high126 Ų12654 Ų5448%0.47529%0.285SS..Hα-helixtrans-67.2-45.5173.3178.157.3178.6143.9-3.6111.9A159 A160 E161 L165 G166 V168 D169 V171A159-R163 WeakPolarHBondContact O-CB 3.39Å; A159-R163 PolarHBondContact O-N 2.64Å; A160-R163 WeakPolarHBondContact O-CB 3.47Å; A160-R163 PolarHBondContact O-N 3.28Å; E161-R163 VanDerWaalsContact C-N 3.26Å; E161-R163 PolarHBondContact O-N 3.35Å; R163-L165 VanDerWaalsContact C-N 3.3Å; R163-L165 PolarHBondContact O-N 2.84Å; R163-G166 PolarHBondContact O-N 2.67Å; R163-G166 VanDerWaalsContact O-N 3.14Å; R163-V168 WeakPolarHBondContact CD-O 3.37Å; R163-V168 PolarHBondContact NH1-O 2.94Å; R163-D169 PolarHBondContact NE-O 3Å; R163-D169 PolarHBondContact NH1-O 2.86Å; R163-D169 PolarHBondContact NH2-O 3.42Å; R163-D169 VanDerWaalsContact NH2-O 3.09Å; R163-V171 HydrophobicContact CB-CG2 3.67Å; R163-V171 HydrophobicContact CG-CG2 4.17Å
164Q98Very high97.5Very high172 Ų17257 Ų5780%0.80430%0.298SS*.Hα-helixtrans-61.8-38.8178.4-174.9179.74.400112.2A160 E161 G166A160-Q164 PolarHBondContact O-N 3.38Å; E161-Q164 PolarHBondContact O-N 3.01Å; E161-Q164 VanDerWaalsContact O-N 3.14Å; Q164-G166 VanDerWaalsContact C-N 3.3Å
165L97.5Very high97.5Very high50 Ų5060.1 Ų60.126%0.26231%0.312SS..Hα-helixtrans-75-17.1177.1-69.1173.3000113.4I142 A146 L150 E161 R163 I167I142-L165 HydrophobicContact CB-CB 4.49Å; I142-L165 HydrophobicContact CG2-CB 4.18Å; I142-L165 WeakPolarHBondContact CG2-O 3.44Å; A146-L165 HydrophobicContact CB-CD2 4.21Å; L150-L165 HydrophobicContact CD1-CD1 4.39Å; E161-L165 HydrophobicContact CG-CD1 4Å; E161-L165 HydrophobicContact CG-CG 4.4Å; E161-L165 WeakPolarHBondContact O-CG 3.41Å; E161-L165 PolarHBondContact O-N 3.11Å; R163-L165 VanDerWaalsContact C-N 3.3Å; R163-L165 PolarHBondContact O-N 2.84Å; L165-I167 HydrophobicContact CB-CD1 4.4Å; L165-I167 HydrophobicContact CB-CG1 4.19Å; L165-I167 HydrophobicContact CD1-CD1 4.21Å
166G97.1Very high97.6Very high27 Ų2756 Ų5628%0.27830%0.297SS..THydrogen-bonded Turntrans88.19.9-175.500000115L141 A162 R163 Q164 V168L141-G166 WeakPolarHBondContact CD2-O 3.39Å; A162-G166 PolarHBondContact O-N 3.12Å; R163-G166 PolarHBondContact O-N 2.67Å; R163-G166 VanDerWaalsContact O-N 3.14Å; Q164-G166 VanDerWaalsContact C-N 3.3Å; G166-V168 VanDerWaalsContact C-N 3.31Å
167I98.4Very high97.6Very high0 Ų052.8 Ų52.80%028%0.284CS..SBendtrans-66-37.6172.7-57.2176.5000110.2L102 L106 R111 L119 L138 I142 L150 V157 A162 L165L102-I167 HydrophobicContact CD1-CG2 4.06Å; L106-I167 HydrophobicContact CD2-CG2 4.46Å; R111-I167 WeakPolarHBondContact CD-O 3.42Å; R111-I167 PolarHBondContact NE-O 2.78Å; L119-I167 HydrophobicContact CD2-CG2 4.32Å; L138-I167 HydrophobicContact CD1-CD1 4.25Å; L138-I167 HydrophobicContact CD1-CG1 4.28Å; I142-I167 HydrophobicContact CD1-CD1 4.39Å; I142-I167 HydrophobicContact CG2-CD1 4.49Å; I142-I167 HydrophobicContact CG2-CG1 3.67Å; L150-I167 HydrophobicContact CD1-CD1 3.94Å; V157-I167 HydrophobicContact CG2-CD1 4.37Å; A162-I167 HydrophobicContact CB-CB 4.09Å; A162-I167 WeakPolarHBondContact O-CA 3.3Å; A162-I167 WeakPolarHBondContact O-CB 3.15Å; A162-I167 PolarHBondContact O-N 3.38Å; L165-I167 HydrophobicContact CB-CD1 4.4Å; L165-I167 HydrophobicContact CB-CG1 4.19Å; L165-I167 HydrophobicContact CD1-CD1 4.21Å
168V98.4Very high97.6Very high0 Ų057.2 Ų57.20%031%0.308CS..  trans-117.7140.3-177.9174.90000110.5R111 A113 L119 A162 R163 G166 E170 V171R111-V168 WeakPolarHBondContact O-CG1 3.49Å; A113-V168 HydrophobicContact CB-CG1 3.75Å; A113-V168 HydrophobicContact CB-CG2 4.12Å; L119-V168 HydrophobicContact CD2-CG2 3.84Å; A162-V168 HydrophobicContact CB-CB 4.44Å; A162-V168 HydrophobicContact CB-CG2 3.88Å; A162-V168 PolarHBondContact O-N 3.07Å; R163-V168 WeakPolarHBondContact CD-O 3.37Å; R163-V168 PolarHBondContact NH1-O 2.94Å; G166-V168 VanDerWaalsContact C-N 3.31Å; V168-E170 WeakPolarHBondContact CG1-O 3.3Å; V168-V171 HydrophobicContact CG1-CG2 4.22Å
169D98.4Very high97.6Very high29 Ų2954.4 Ų54.416%0.15529%0.292CS..SBendtrans-84.1-32.3-179-60.9-71.3000113.1Y110 R111 R163 R195Y110-D169 VanDerWaalsContact CA-OD2 3.23Å; Y110-D169 WeakPolarHBondContact CA-OD2 3.06Å; R111-D169 IonicContact CZ-OD2 3.71Å; R111-D169 PolarHBondContact N-OD2 3.24Å; R111-D169 IonicContact NE-OD2 3.53Å; R111-D169 IonicContact NH2-OD2 3.92Å; R111-D169 PolarHBondContact NH2-OD2 2.89Å; R111-D169 WeakPolarHBondContact O-CB 3.46Å; R111-D169 PolarHBondContact O-N 2.74Å; R163-D169 PolarHBondContact NE-O 3Å; R163-D169 PolarHBondContact NH1-O 2.86Å; R163-D169 PolarHBondContact NH2-O 3.42Å; R163-D169 VanDerWaalsContact NH2-O 3.09Å; D169-R195 IonicContact OD1-CZ 2.78Å; D169-R195 IonicContact OD1-NH1 3.34Å; D169-R195 PolarHBondContact OD1-NH1 2.76Å; D169-R195 IonicContact OD1-NH2 3.56Å; D169-R195 PolarHBondContact OD1-NH2 3.4Å; D169-R195 IonicContact OD2-NH2 3.39Å; D169-R195 PolarHBondContact OD2-NH2 2.84Å
170E98.3Very high97.6Very high82 Ų8254.4 Ų54.438%0.38329%0.292SS..EExtended strand (participates in β ladder)trans-149.6144.8177.5-163.1-179.3134.200111.1R111 I112 A113 V168R111-E170 PolarHBondContact O-N 3.26Å; I112-E170 WeakPolarHBondContact CA-O 2.85Å; I112-E170 HydrophobicContact CD1-CB 3.55Å; I112-E170 HydrophobicContact CG2-CB 4.37Å; A113-E170 PolarHBondContact N-O 2.9Å; V168-E170 WeakPolarHBondContact CG1-O 3.3Å
171V98.4Very high97.6Very high48 Ų4851.9 Ų51.929%0.29127%0.27SS..EExtended strand (participates in β ladder)trans-117.6135.1174.1178.40000108.9A113 A159 R163 V168A113-V171 CarbonylContact O-C 3.56Å; A113-V171 VanDerWaalsContact O-CA 3.26Å; A113-V171 WeakPolarHBondContact O-CA 3.31Å; A159-V171 HydrophobicContact CB-CG1 4.02Å; A159-V171 HydrophobicContact CB-CG2 4.12Å; A159-V171 WeakPolarHBondContact O-CG2 3.27Å; R163-V171 HydrophobicContact CB-CG2 3.67Å; R163-V171 HydrophobicContact CG-CG2 4.17Å; V168-V171 HydrophobicContact CG1-CG2 4.22Å
172T97.9Very high97.6Very high19 Ų1956.3 Ų56.312%0.11729%0.288CS..EExtended strand (participates in β ladder)trans-131147.2-179.1-172.50000111.9I112 A113 H114 S115 L174 A176 A179I112-T172 HydrophobicContact CG2-CG2 4.48Å; A113-T172 PolarHBondContact O-N 2.91Å; H114-T172 CarbonylContact C-O 3.45Å; H114-T172 VanDerWaalsContact CA-O 3.32Å; H114-T172 WeakPolarHBondContact CA-O 3.33Å; S115-T172 PolarHBondContact N-O 2.89Å; T172-L174 VanDerWaalsContact C-N 3.35Å; T172-L174 PolarHBondContact OG1-N 3.1Å; T172-L174 VanDerWaalsContact OG1-N 3.12Å; T172-A176 HydrophobicContact CG2-CB 4.29Å; T172-A179 HydrophobicContact CG2-CB 4.03Å
173D96.8Very high97.6Very high130 Ų13058.2 Ų58.270%0.69530%0.296SS*.SBendtrans-89.4-5.5168.2-70.5-52.8000112.6S115S115-D173 WeakPolarHBondContact CB-OD1 3.46Å; S115-D173 PolarHBondContact OG-OD1 2.92Å
174L94.8Very high97.6Very high128 Ų12852.2 Ų52.267%0.6727%0.274SS*.SBendtrans-89.9-176.9174.6-54.7-179.9000110.4H114 T172 A176H114-L174 PolarHBondContact CD2-O 2.83Å; T172-L174 VanDerWaalsContact C-N 3.35Å; T172-L174 PolarHBondContact OG1-N 3.1Å; T172-L174 VanDerWaalsContact OG1-N 3.12Å; L174-A176 PolarHBondContact O-N 3.33Å
175N95.9Very high97.6Very high75 Ų7547.6 Ų47.640%0.40125%0.252SS..  trans-60119.3172.7-175.9-60.6000111V177 D178 A179N175-V177 VanDerWaalsContact C-N 3.27Å; N175-V177 PolarHBondContact O-N 3.23Å; N175-V177 WeakPolarHBondContact OD1-CA 3.1Å; N175-V177 WeakPolarHBondContact OD1-CB 3.3Å; N175-V177 PolarHBondContact OD1-N 3.24Å; N175-D178 HydrophobicContact CB-CB 4.25Å; N175-D178 WeakPolarHBondContact CB-OD2 3.46Å; N175-D178 PolarHBondContact O-N 2.87Å; N175-D178 PolarHBondContact OD1-N 3.4Å; N175-A179 PolarHBondContact O-N 2.87Å; N175-A179 VanDerWaalsContact O-N 3.14Å
176A97.4Very high97.5Very high0 Ų048.6 Ų48.60%026%0.264CS..Hα-helixtrans-68.2-25.5-176.700000113.1E94 H114 T172 L174 A180E94-A176 HydrophobicContact CG-CB 4.08Å; E94-A176 WeakPolarHBondContact OE1-CB 3.31Å; E94-A176 PolarHBondContact OE1-N 3.3Å; H114-A176 HydrophobicContact CB-CB 4.14Å; T172-A176 HydrophobicContact CG2-CB 4.29Å; L174-A176 PolarHBondContact O-N 3.33Å; A176-A180 WeakPolarHBondContact O-CB 3.34Å; A176-A180 PolarHBondContact O-N 3.09Å
177V97.7Very high97.5Very high26 Ų2647.5 Ų47.516%0.15825%0.252CS..Hα-helixtrans-68.9-47.6175.6-175.40000110.2M13 C51 A92 N175 A179 A180 V181M13-V177 HydrophobicContact SD-CG1 3.8Å; C51-V177 HydrophobicContact CB-CG1 4.5Å; C51-V177 HydrophobicContact CB-CG2 3.87Å; A92-V177 HydrophobicContact CB-CB 4.47Å; A92-V177 HydrophobicContact CB-CG2 4.13Å; N175-V177 VanDerWaalsContact C-N 3.27Å; N175-V177 PolarHBondContact O-N 3.23Å; N175-V177 WeakPolarHBondContact OD1-CA 3.1Å; N175-V177 WeakPolarHBondContact OD1-CB 3.3Å; N175-V177 PolarHBondContact OD1-N 3.24Å; V177-A179 VanDerWaalsContact C-N 3.33Å; V177-A179 PolarHBondContact O-N 3.39Å; V177-A180 PolarHBondContact O-N 3.03Å; V177-V181 WeakPolarHBondContact O-CG2 3.46Å; V177-V181 PolarHBondContact O-N 3.22Å
178D97.1Very high97.3Very high95 Ų9550.2 Ų50.251%0.50827%0.268SS..Hα-helixtrans-62.9-41.9178.6-65.3-25.8000111.5N175 V181 K182N175-D178 HydrophobicContact CB-CB 4.25Å; N175-D178 WeakPolarHBondContact CB-OD2 3.46Å; N175-D178 PolarHBondContact O-N 2.87Å; N175-D178 PolarHBondContact OD1-N 3.4Å; D178-V181 PolarHBondContact O-N 3.01Å; D178-K182 WeakPolarHBondContact O-CG 3.32Å; D178-K182 PolarHBondContact O-N 3.3Å; D178-K182 VanDerWaalsContact O-N 3.14Å
179A97.7Very high96.9Very high18 Ų1854 Ų5415%0.14931%0.307CS..Hα-helixtrans-61.6-45.2173.900000111.5I112 T172 N175 V177 V181 K182 F183I112-A179 HydrophobicContact CG2-CB 4Å; T172-A179 HydrophobicContact CG2-CB 4.03Å; N175-A179 PolarHBondContact O-N 2.87Å; N175-A179 VanDerWaalsContact O-N 3.14Å; V177-A179 VanDerWaalsContact C-N 3.33Å; V177-A179 PolarHBondContact O-N 3.39Å; A179-V181 PolarHBondContact O-N 3.49Å; A179-K182 PolarHBondContact O-N 3.3Å; A179-F183 WeakPolarHBondContact O-CB 3.41Å; A179-F183 PolarHBondContact O-N 3.33Å
180A98.3Very high96.6Very high0 Ų058.1 Ų58.10%032%0.323CS..Hα-helixtrans-64.9-36.417800000113.2V49 V90 A92 I112 A176 V177 F183 A184V49-A180 HydrophobicContact CG1-CB 4.11Å; V49-A180 HydrophobicContact CG2-CB 4.42Å; V90-A180 HydrophobicContact CG1-CB 3.87Å; A92-A180 HydrophobicContact CB-CB 3.53Å; I112-A180 HydrophobicContact CB-CB 4.26Å; I112-A180 HydrophobicContact CG1-CB 4.19Å; A176-A180 WeakPolarHBondContact O-CB 3.34Å; A176-A180 PolarHBondContact O-N 3.09Å; V177-A180 PolarHBondContact O-N 3.03Å; A180-F183 PolarHBondContact O-N 3.49Å; A180-A184 WeakPolarHBondContact O-CB 3.14Å; A180-A184 PolarHBondContact O-N 2.92Å
181V98.2Very high96.4Very high13 Ų1358.1 Ų58.18%0.07933%0.332CS..Hα-helixtrans-64.3-47.4175.3169.20000110.7V7 V11 V49 V177 D178 A179 F183 A184 Q185V7-V181 HydrophobicContact CG2-CG1 4.13Å; V7-V181 HydrophobicContact CG2-CG2 3.89Å; V11-V181 HydrophobicContact CG2-CG1 4.37Å; V49-V181 HydrophobicContact CG2-CG2 4.14Å; V177-V181 WeakPolarHBondContact O-CG2 3.46Å; V177-V181 PolarHBondContact O-N 3.22Å; D178-V181 PolarHBondContact O-N 3.01Å; A179-V181 PolarHBondContact O-N 3.49Å; V181-F183 VanDerWaalsContact C-N 3.31Å; V181-F183 PolarHBondContact O-N 3.34Å; V181-A184 PolarHBondContact O-N 2.97Å; V181-Q185 WeakPolarHBondContact O-CG 3.28Å; V181-Q185 PolarHBondContact O-N 3.27Å; V181-Q185 VanDerWaalsContact O-N 3.14Å
182K97.6Very high96.2Very high144 Ų14456.3 Ų56.363%0.62632%0.321SS*.Hα-helixtrans-60.5-43.2175.5-69.1173.7-175.3176.10111.3D178 A179 Q185 S186D178-K182 WeakPolarHBondContact O-CG 3.32Å; D178-K182 PolarHBondContact O-N 3.3Å; D178-K182 VanDerWaalsContact O-N 3.14Å; A179-K182 PolarHBondContact O-N 3.3Å; K182-Q185 PolarHBondContact O-N 3.45Å; K182-S186 PolarHBondContact O-N 2.88Å
183F97.9Very high95.8Very high40 Ų4060 Ų6018%0.17534%0.34CS..Hα-helixtrans-63.2-44.5176.8-169.1-80.6000111.7V90 Y110 I112 A179 A180 V181 Q185 S186 V187V90-F183 HydrophobicContact CG1-CD1 4.41Å; V90-F183 HydrophobicContact CG2-CD1 4.21Å; Y110-F183 AromaticContact CD1-CE1 3.45Å; Y110-F183 HydrophobicContact CD1-CE1 3.45Å; Y110-F183 VanDerWaalsContact CD1-CE1 3.45Å; Y110-F183 AromaticContact CD1-CZ 3.72Å; Y110-F183 HydrophobicContact CD1-CZ 3.72Å; Y110-F183 HydrophobicContact CD2-CE1 4.03Å; Y110-F183 AromaticContact CE1-CE1 3.98Å; Y110-F183 HydrophobicContact CE1-CE1 3.98Å; Y110-F183 HydrophobicContact CE1-CZ 4.13Å; Y110-F183 HydrophobicContact CE2-CE1 4.5Å; Y110-F183 HydrophobicContact CG-CD1 4.37Å; Y110-F183 AromaticContact CG-CE1 3.48Å; Y110-F183 HydrophobicContact CG-CE1 3.48Å; Y110-F183 VanDerWaalsContact CG-CE1 3.48Å; Y110-F183 HydrophobicContact CG-CZ 4.21Å; I112-F183 HydrophobicContact CD1-CB 4.29Å; I112-F183 HydrophobicContact CD1-CD1 4.24Å; I112-F183 HydrophobicContact CD1-CD2 3.77Å; I112-F183 HydrophobicContact CD1-CE2 4.13Å; I112-F183 HydrophobicContact CD1-CG 3.83Å; I112-F183 HydrophobicContact CG1-CB 4.36Å; I112-F183 HydrophobicContact CG1-CG 4.33Å; A179-F183 WeakPolarHBondContact O-CB 3.41Å; A179-F183 PolarHBondContact O-N 3.33Å; A180-F183 PolarHBondContact O-N 3.49Å; V181-F183 VanDerWaalsContact C-N 3.31Å; V181-F183 PolarHBondContact O-N 3.34Å; F183-Q185 VanDerWaalsContact C-N 3.26Å; F183-Q185 PolarHBondContact O-N 2.86Å; F183-S186 PolarHBondContact O-N 3.38Å; F183-S186 PolarHBondContact O-OG 2.96Å; F183-V187 HydrophobicContact CD1-CG1 4.06Å; F183-V187 HydrophobicContact CD1-CG2 4.35Å; F183-V187 HydrophobicContact CE1-CG1 3.52Å; F183-V187 HydrophobicContact CE1-CG2 4.29Å; F183-V187 HydrophobicContact CZ-CG1 3.95Å; F183-V187 WeakPolarHBondContact O-CG2 3.28Å; F183-V187 PolarHBondContact O-N 2.79Å
184A97.9Very high95.6Very high0 Ų057.1 Ų57.10%033%0.334CS..Hα-helixtrans-60.8-34179.300000112.5V11 S47 V49 V90 A180 V181 T188V11-A184 HydrophobicContact CG1-CB 4.36Å; S47-A184 WeakPolarHBondContact CB-O 3.48Å; S47-A184 WeakPolarHBondContact OG-CB 3.42Å; S47-A184 PolarHBondContact OG-O 3.28Å; V49-A184 HydrophobicContact CG2-CB 3.8Å; V90-A184 HydrophobicContact CB-CB 4.46Å; V90-A184 HydrophobicContact CG2-CB 3.71Å; A180-A184 WeakPolarHBondContact O-CB 3.14Å; A180-A184 PolarHBondContact O-N 2.92Å; V181-A184 PolarHBondContact O-N 2.97Å; A184-T188 PolarHBondContact O-OG1 2.91Å
185Q97.4Very high95.7Very high76 Ų7653.3 Ų53.336%0.35531%0.311SS..Hα-helixtrans-68.7-43172.7-67.8177.6-51.100111.5V11 V181 K182 F183 V187 T188V11-Q185 HydrophobicContact CG2-CG 3.67Å; V181-Q185 WeakPolarHBondContact O-CG 3.28Å; V181-Q185 PolarHBondContact O-N 3.27Å; V181-Q185 VanDerWaalsContact O-N 3.14Å; K182-Q185 PolarHBondContact O-N 3.45Å; F183-Q185 VanDerWaalsContact C-N 3.26Å; F183-Q185 PolarHBondContact O-N 2.86Å; Q185-V187 PolarHBondContact O-N 3.45Å; Q185-T188 WeakPolarHBondContact O-CB 3.19Å; Q185-T188 PolarHBondContact O-N 2.8Å; Q185-T188 PolarHBondContact O-OG1 2.86Å
186S96.9Very high95.7Very high71 Ų7152.7 Ų52.750%0.49730%0.303SS..Hα-helixtrans-68.9-17.1-176.684.30000114.7K182 F183 K190K182-S186 PolarHBondContact O-N 2.88Å; F183-S186 PolarHBondContact O-N 3.38Å; F183-S186 PolarHBondContact O-OG 2.96Å; S186-K190 VanDerWaalsContact O-CE 3.3Å; S186-K190 WeakPolarHBondContact O-CE 3.37Å; S186-K190 PolarHBondContact O-NZ 3.37Å
187V96.3Very high95.7Very high4 Ų452.7 Ų52.72%0.02430%0.303CS..THydrogen-bonded Turntrans-105.35177.9-58.30000113.9P88 Y110 F183 Q185 G189 K190P88-V187 HydrophobicContact CB-CG2 3.84Å; P88-V187 HydrophobicContact CG-CG2 4.26Å; Y110-V187 HydrophobicContact CD2-CG2 4.15Å; Y110-V187 HydrophobicContact CE1-CG1 4.39Å; Y110-V187 HydrophobicContact CE2-CB 4.04Å; Y110-V187 HydrophobicContact CE2-CG1 4.25Å; Y110-V187 HydrophobicContact CE2-CG2 3.77Å; F183-V187 HydrophobicContact CD1-CG1 4.06Å; F183-V187 HydrophobicContact CD1-CG2 4.35Å; F183-V187 HydrophobicContact CE1-CG1 3.52Å; F183-V187 HydrophobicContact CE1-CG2 4.29Å; F183-V187 HydrophobicContact CZ-CG1 3.95Å; F183-V187 WeakPolarHBondContact O-CG2 3.28Å; F183-V187 PolarHBondContact O-N 2.79Å; Q185-V187 PolarHBondContact O-N 3.45Å; V187-G189 PolarHBondContact O-N 2.72Å; V187-K190 HydrophobicContact CB-CD 4.2Å; V187-K190 HydrophobicContact CG1-CD 4.3Å; V187-K190 WeakPolarHBondContact O-CB 3.23Å; V187-K190 PolarHBondContact O-N 2.71Å
188T94.3Very high95.6Very high57 Ų5752.7 Ų52.735%0.3530%0.304SS..THydrogen-bonded Turntrans-59.4132.6175.9-67.80000110.9K46 A184 Q185 K190K46-T188 HydrophobicContact CB-CG2 3.6Å; K46-T188 HydrophobicContact CG-CG2 4.29Å; A184-T188 PolarHBondContact O-OG1 2.91Å; Q185-T188 WeakPolarHBondContact O-CB 3.19Å; Q185-T188 PolarHBondContact O-N 2.8Å; Q185-T188 PolarHBondContact O-OG1 2.86Å; T188-K190 PolarHBondContact O-N 3.25Å
189G89.3Confident95.6Very high78 Ų7852.3 Ų52.380%0.80431%0.306SS*.THydrogen-bonded Turntrans77.5-2.9179.300000115.4V187V187-G189 PolarHBondContact O-N 2.72Å
190K93.8Very high95.4Very high117 Ų11754.3 Ų54.351%0.50931%0.31SS..  trans-73.8149.3172.3-63.5-173.3-177.7168.10110.6S186 V187 T188S186-K190 VanDerWaalsContact O-CE 3.3Å; S186-K190 WeakPolarHBondContact O-CE 3.37Å; S186-K190 PolarHBondContact O-NZ 3.37Å; V187-K190 HydrophobicContact CB-CD 4.2Å; V187-K190 HydrophobicContact CG1-CD 4.3Å; V187-K190 WeakPolarHBondContact O-CB 3.23Å; V187-K190 PolarHBondContact O-N 2.71Å; T188-K190 PolarHBondContact O-N 3.25Å
191S93.4Very high95.2Very high82 Ų8259.7 Ų59.757%0.57335%0.345SS*.  trans-61.9138.9172.8174.80000110.8D193S191-D193 PolarHBondContact OG-N 3.29Å; S191-D193 PolarHBondContact OG-OD2 3.41Å
192L94.5Very high95.1Very high10 Ų1060.1 Ų60.15%0.05235%0.348CS..  trans-101.3-6.1-179.7-60.8175000112.7P88 H109 Y110 A194 R195 R196P88-L192 HydrophobicContact CB-CD2 4.06Å; P88-L192 HydrophobicContact CG-CD2 4.05Å; H109-L192 HydrophobicContact CB-CD2 4.2Å; Y110-L192 HydrophobicContact CE2-CD2 4.37Å; L192-A194 VanDerWaalsContact C-N 3.28Å; L192-A194 PolarHBondContact O-N 3.49Å; L192-R195 WeakPolarHBondContact O-CA 3.3Å; L192-R195 WeakPolarHBondContact O-CB 3.48Å; L192-R195 PolarHBondContact O-N 3.42Å; L192-R196 PolarHBondContact O-N 2.89Å
193D89.4Confident94.9Very high96 Ų9656.3 Ų56.351%0.51334%0.338SS..G310 helixtrans-61.2-40-173.2-63.8-34.9000111.8S191 R195 R196S191-D193 PolarHBondContact OG-N 3.29Å; S191-D193 PolarHBondContact OG-OD2 3.41Å; D193-R195 PolarHBondContact O-N 2.94Å; D193-R196 IonicContact OD1-CZ 3.42Å; D193-R196 IonicContact OD1-NH1 2.81Å; D193-R196 PolarHBondContact OD1-NH1 2.87Å
194A91.9Very high94.7Very high70 Ų7062.1 Ų62.158%0.57936%0.359SS*.G310 helixtrans-75.65.617500000113.8L192 Y200L192-A194 VanDerWaalsContact C-N 3.28Å; L192-A194 PolarHBondContact O-N 3.49Å; A194-Y200 WeakPolarHBondContact O-CE1 3.44Å; A194-Y200 PolarHBondContact O-OH 3.19Å
195R96.2Very high94.4Very high48 Ų4863.4 Ų63.418%0.18137%0.367CS..G310 helixtrans-117.5-3.5-178.6-58.3-57.2-57.9-177.7-1.6113.5H109 Y110 D169 L192 D193 I197H109-R195 HydrophobicContact CB-CB 4.07Å; H109-R195 VanDerWaalsContact O-CZ 3.27Å; H109-R195 PolarHBondContact O-NE 3.35Å; H109-R195 PolarHBondContact O-NH2 2.98Å; Y110-R195 VanDerWaalsContact CD1-NH2 3.27Å; Y110-R195 HydrophobicContact CE1-CG 4.16Å; Y110-R195 VanDerWaalsContact CE1-NE 3.32Å; Y110-R195 HydrophobicContact CE2-CG 4.46Å; D169-R195 IonicContact OD1-CZ 2.78Å; D169-R195 IonicContact OD1-NH1 3.34Å; D169-R195 PolarHBondContact OD1-NH1 2.76Å; D169-R195 IonicContact OD1-NH2 3.56Å; D169-R195 PolarHBondContact OD1-NH2 3.4Å; D169-R195 IonicContact OD2-NH2 3.39Å; D169-R195 PolarHBondContact OD2-NH2 2.84Å; L192-R195 WeakPolarHBondContact O-CA 3.3Å; L192-R195 WeakPolarHBondContact O-CB 3.48Å; L192-R195 PolarHBondContact O-N 3.42Å; D193-R195 PolarHBondContact O-N 2.94Å; R195-I197 PolarHBondContact O-N 3.44Å
196R97.3Very high94.1Very high61 Ų6166.5 Ų66.523%0.2339%0.394CS..  trans-8797.5174.8-65.4177.9178.1142.41.7109.3E83 L192 D193 S198 T199E83-R196 HydrophobicContact CG-CB 4.08Å; E83-R196 HydrophobicContact CG-CG 4.07Å; E83-R196 PolarHBondContact O-NE 2.87Å; E83-R196 VanDerWaalsContact OE1-C 3.23Å; E83-R196 WeakPolarHBondContact OE1-CA 3.48Å; L192-R196 PolarHBondContact O-N 2.89Å; D193-R196 IonicContact OD1-CZ 3.42Å; D193-R196 IonicContact OD1-NH1 2.81Å; D193-R196 PolarHBondContact OD1-NH1 2.87Å; R196-S198 PolarHBondContact O-N 2.74Å; R196-S198 VanDerWaalsContact O-N 3.1Å; R196-T199 HydrophobicContact CB-CG2 3.91Å; R196-T199 PolarHBondContact O-N 3.47Å; R196-T199 PolarHBondContact O-OG1 3.34Å
197I97.2Very high93.9Very high0 Ų066.7 Ų66.70%039%0.389CS..G310 helixtrans-57.3-30.8-174.1-55.6177.4000112E83 L106 R137 R140 L141 R195 T199 Y200E83-I197 PolarHBondContact OE1-N 3Å; L106-I197 HydrophobicContact CB-CD1 4.37Å; L106-I197 HydrophobicContact CD2-CD1 4.11Å; L106-I197 WeakPolarHBondContact O-CD1 3.4Å; R137-I197 HydrophobicContact CB-CB 4.4Å; R137-I197 HydrophobicContact CB-CG2 3.79Å; R137-I197 HydrophobicContact CG-CB 4.3Å; R137-I197 HydrophobicContact CG-CG2 4.12Å; R137-I197 WeakPolarHBondContact O-CG2 3.23Å; R140-I197 HydrophobicContact CB-CG2 4.16Å; R140-I197 WeakPolarHBondContact CD-O 3.28Å; L141-I197 HydrophobicContact CB-CG2 4.35Å; L141-I197 HydrophobicContact CD1-CD1 4.28Å; L141-I197 HydrophobicContact CD2-CD1 4.09Å; R195-I197 PolarHBondContact O-N 3.44Å; I197-T199 PolarHBondContact O-N 3.43Å; I197-Y200 HydrophobicContact CG2-CD2 4.37Å; I197-Y200 WeakPolarHBondContact O-CB 3.4Å; I197-Y200 PolarHBondContact O-N 2.57Å; I197-Y200 VanDerWaalsContact O-N 3.12Å
198S95.9Very high93.8Very high26 Ų2666.7 Ų66.718%0.18239%0.389CS..G310 helixtrans-59-24.7175.454.80000114.3E83 R196 Y244E83-S198 VanDerWaalsContact OE1-CB 3.22Å; E83-S198 WeakPolarHBondContact OE1-CB 3.45Å; E83-S198 PolarHBondContact OE1-N 3.43Å; E83-S198 PolarHBondContact OE1-OG 3.29Å; E83-S198 PolarHBondContact OE2-OG 3.03Å; R196-S198 PolarHBondContact O-N 2.74Å; R196-S198 VanDerWaalsContact O-N 3.1Å; S198-Y244 VanDerWaalsContact CB-CZ 3.46Å
199T95.6Very high93.8Very high88 Ų8869 Ų6954%0.5440%0.399SS..G310 helixtrans-88.4-11.3178.871.80000112.9R196 I197R196-T199 HydrophobicContact CB-CG2 3.91Å; R196-T199 PolarHBondContact O-N 3.47Å; R196-T199 PolarHBondContact O-OG1 3.34Å; I197-T199 PolarHBondContact O-N 3.43Å
200Y95.3Very high94.1Very high59 Ų5966.8 Ų66.823%0.23137%0.374CS..SBendtrans-69.3138.8-179.2-67.66.6000110.2R140 L141 A194 I197 C202R140-Y200 VanDerWaalsContact CD-O 3.31Å; R140-Y200 WeakPolarHBondContact CD-O 3.41Å; R140-Y200 PolarHBondContact NE-O 3.1Å; L141-Y200 HydrophobicContact CD1-CE2 4.29Å; A194-Y200 WeakPolarHBondContact O-CE1 3.44Å; A194-Y200 PolarHBondContact O-OH 3.19Å; I197-Y200 HydrophobicContact CG2-CD2 4.37Å; I197-Y200 WeakPolarHBondContact O-CB 3.4Å; I197-Y200 PolarHBondContact O-N 2.57Å; I197-Y200 VanDerWaalsContact O-N 3.12Å; Y200-C202 PolarHBondContact O-N 2.82Å
201P93.9Very high94.3Very high114 Ų11462.3 Ų62.374%0.7436%0.355SS*.PPolyproline II helixtrans-62.7138.3166.128.5-32.9000108.7P203P201-P203 WeakPolarHBondContact O-CD 3.39Å
202C94.7Very high94.4Very high22 Ų2259.1 Ų59.115%0.14933%0.331CS..PPolyproline II helixtrans-75.9123.6170.9-170.90000108.3R140 Y200 R204 A239R140-C202 HydrophobicContact CG-CB 3.85Å; Y200-C202 PolarHBondContact O-N 2.82Å; C202-R204 PolarHBondContact O-N 3.47Å; C202-A239 WeakPolarHBondContact CB-O 3.48Å
203P93.8Very high94.5Very high63 Ų6364.4 Ų64.441%0.40936%0.355SS..PPolyproline II helixtrans-56133.1175.6-24.534.3000110.7P201 P205P201-P203 WeakPolarHBondContact O-CD 3.39Å; P203-P205 WeakPolarHBondContact O-CD 3.43Å
204R93.4Very high94.9Very high162 Ų16267.4 Ų67.461%0.61136%0.359SS*.  trans-110.599177.5-172.6179.3-179.8110.51.4109.8C202 L208 V240C202-R204 PolarHBondContact O-N 3.47Å; R204-L208 HydrophobicContact CG-CD2 4.28Å; R204-V240 HydrophobicContact CB-CG2 4.16Å; R204-V240 HydrophobicContact CG-CG2 4.15Å
205P91.3Very high95.1Very high27 Ų2764.9 Ų64.918%0.17534%0.338CS..  trans-56.9147171.9-26.133.5000112.3P203 D207 L208 I211P203-P205 WeakPolarHBondContact O-CD 3.43Å; P205-D207 PolarHBondContact O-N 3.41Å; P205-L208 PolarHBondContact O-N 3.24Å; P205-I211 HydrophobicContact CB-CD1 3.68Å; P205-I211 HydrophobicContact CG-CD1 3.92Å
206P91.6Very high95.1Very high142 Ų14264.7 Ų64.792%0.92234%0.34SS*.THydrogen-bonded Turntrans-60.1-32.7175.6-23.333.5000113.6
207D94.1Very high95Very high74 Ų7466.2 Ų66.240%0.39635%0.35SS..THydrogen-bonded Turntrans-99.231.6-177.166.5-34.7000113P205 D209 A210 I211P205-D207 PolarHBondContact O-N 3.41Å; D207-D209 PolarHBondContact O-N 2.82Å; D207-A210 HydrophobicContact CB-CB 4.47Å; D207-A210 PolarHBondContact O-N 2.69Å; D207-A210 VanDerWaalsContact O-N 3.13Å; D207-I211 PolarHBondContact O-N 3.09Å; D207-I211 VanDerWaalsContact OD1-CD1 3.29Å; D207-I211 WeakPolarHBondContact OD1-CD1 3.46Å
208L93.2Very high94.8Very high4 Ų472 Ų722%0.02138%0.376CS..Hα-helixtrans-47.3-53.1-173.9-168.473.3000113.2R204 P205 A210 I211 F212 V240R204-L208 HydrophobicContact CG-CD2 4.28Å; P205-L208 PolarHBondContact O-N 3.24Å; L208-A210 VanDerWaalsContact C-N 3.33Å; L208-A210 PolarHBondContact O-N 3Å; L208-I211 WeakPolarHBondContact O-CB 3.39Å; L208-I211 PolarHBondContact O-N 3.46Å; L208-I211 VanDerWaalsContact O-N 3.14Å; L208-F212 HydrophobicContact CD1-CD2 4.13Å; L208-F212 HydrophobicContact CD1-CE2 3.68Å; L208-F212 HydrophobicContact CG-CD2 4.04Å; L208-F212 HydrophobicContact CG-CE2 4.03Å; L208-F212 WeakPolarHBondContact O-CD2 3.4Å; L208-F212 PolarHBondContact O-N 2.7Å; L208-F212 VanDerWaalsContact O-N 3.11Å; L208-V240 HydrophobicContact CD1-CG1 4.07Å; L208-V240 HydrophobicContact CD1-CG2 3.84Å; L208-V240 HydrophobicContact CD2-CG1 4.3Å; L208-V240 HydrophobicContact CD2-CG2 4.11Å
209D94.1Very high94.6Very high106 Ų10671.3 Ų71.357%0.56737%0.371SS*.Hα-helixtrans-62.2-43.2-175.5-60.6-30.8000110.9D207 I211 F212 E213D207-D209 PolarHBondContact O-N 2.82Å; D209-I211 VanDerWaalsContact C-N 3.33Å; D209-I211 PolarHBondContact O-N 2.53Å; D209-F212 PolarHBondContact O-N 3.17Å; D209-E213 WeakPolarHBondContact O-CB 3.32Å; D209-E213 WeakPolarHBondContact O-CG 3.35Å; D209-E213 PolarHBondContact O-N 3.48Å
210A96.1Very high94.3Very high32 Ų3275.4 Ų75.426%0.26438%0.377SS..Hα-helixtrans-63.9-35.8176.600000112.5D207 L208 R214D207-A210 HydrophobicContact CB-CB 4.47Å; D207-A210 PolarHBondContact O-N 2.69Å; D207-A210 VanDerWaalsContact O-N 3.13Å; L208-A210 VanDerWaalsContact C-N 3.33Å; L208-A210 PolarHBondContact O-N 3Å; A210-R214 WeakPolarHBondContact O-CB 3.42Å; A210-R214 WeakPolarHBondContact O-CD 3.45Å; A210-R214 WeakPolarHBondContact O-CG 3.4Å; A210-R214 PolarHBondContact O-N 2.79Å
211I96.7Very high94Very high22 Ų2282.4 Ų82.411%0.11340%0.403CS..Hα-helixtrans-62.2-48.7174.7-70.1166.1000110.4V144 P145 L148 P205 D207 L208 D209 R214 A215V144-I211 HydrophobicContact CG1-CG2 4.4Å; P145-I211 HydrophobicContact CG-CD1 4.29Å; L148-I211 HydrophobicContact CD1-CG2 3.76Å; P205-I211 HydrophobicContact CB-CD1 3.68Å; P205-I211 HydrophobicContact CG-CD1 3.92Å; D207-I211 PolarHBondContact O-N 3.09Å; D207-I211 VanDerWaalsContact OD1-CD1 3.29Å; D207-I211 WeakPolarHBondContact OD1-CD1 3.46Å; L208-I211 WeakPolarHBondContact O-CB 3.39Å; L208-I211 PolarHBondContact O-N 3.46Å; L208-I211 VanDerWaalsContact O-N 3.14Å; D209-I211 VanDerWaalsContact C-N 3.33Å; D209-I211 PolarHBondContact O-N 2.53Å; I211-R214 PolarHBondContact O-N 3.05Å; I211-A215 WeakPolarHBondContact O-CB 3.5Å; I211-A215 PolarHBondContact O-N 3.12Å
212F97.1Very high93.6Very high15 Ų1581.4 Ų81.47%0.06640%0.399CS..Hα-helixtrans-70.2-37.3-178.6-80.9-79.4000112.7V144 L148 L208 D209 A215 M216 V233 V236 H237 V240V144-F212 HydrophobicContact CG1-CE2 3.76Å; V144-F212 HydrophobicContact CG1-CZ 3.62Å; L148-F212 HydrophobicContact CD1-CD1 4.41Å; L148-F212 HydrophobicContact CD1-CE1 4.11Å; L148-F212 HydrophobicContact CD1-CZ 4.39Å; L148-F212 HydrophobicContact CD2-CE1 3.98Å; L148-F212 HydrophobicContact CG-CE1 4.47Å; L208-F212 HydrophobicContact CD1-CD2 4.13Å; L208-F212 HydrophobicContact CD1-CE2 3.68Å; L208-F212 HydrophobicContact CG-CD2 4.04Å; L208-F212 HydrophobicContact CG-CE2 4.03Å; L208-F212 WeakPolarHBondContact O-CD2 3.4Å; L208-F212 PolarHBondContact O-N 2.7Å; L208-F212 VanDerWaalsContact O-N 3.11Å; D209-F212 PolarHBondContact O-N 3.17Å; F212-A215 PolarHBondContact O-N 3.1Å; F212-M216 WeakPolarHBondContact O-CB 3.49Å; F212-M216 WeakPolarHBondContact O-CG 3.34Å; F212-M216 PolarHBondContact O-N 2.96Å; F212-V233 HydrophobicContact CD1-CG1 3.57Å; F212-V233 HydrophobicContact CE1-CG1 4.11Å; F212-V233 WeakPolarHBondContact CE1-O 3.44Å; F212-V236 HydrophobicContact CE1-CB 4.5Å; F212-V236 HydrophobicContact CE1-CG1 4.36Å; F212-V236 HydrophobicContact CZ-CG1 4.21Å; F212-H237 HydrophobicContact CD1-CB 3.86Å; F212-H237 AromaticContact CD1-CD2 3.88Å; F212-H237 AromaticContact CD2-CD2 3.61Å; F212-H237 VanDerWaalsContact CE1-CA 3.46Å; F212-H237 HydrophobicContact CE1-CB 3.44Å; F212-H237 VanDerWaalsContact CE1-CB 3.44Å; F212-H237 HydrophobicContact CE2-CB 4.46Å; F212-H237 AromaticContact CE2-CD2 3.73Å; F212-H237 AromaticContact CG-CD2 3.7Å; F212-H237 HydrophobicContact CZ-CB 3.79Å; F212-H237 AromaticContact CZ-CD2 3.94Å; F212-V240 HydrophobicContact CE2-CG1 3.97Å; F212-V240 HydrophobicContact CZ-CG1 4.09Å
213E96.5Very high93.2Very high122 Ų12281.5 Ų81.557%0.5740%0.401SS*.Hα-helixtrans-60.2-47.2172.1-76.3179.8178.400111.6D209 A215 M216 Q217D209-E213 WeakPolarHBondContact O-CB 3.32Å; D209-E213 WeakPolarHBondContact O-CG 3.35Å; D209-E213 PolarHBondContact O-N 3.48Å; E213-A215 PolarHBondContact O-N 3.22Å; E213-M216 PolarHBondContact O-N 2.85Å; E213-Q217 WeakPolarHBondContact O-CB 3.4Å; E213-Q217 VanDerWaalsContact O-CG 3.26Å; E213-Q217 WeakPolarHBondContact O-CG 3.5Å; E213-Q217 PolarHBondContact O-N 3.04Å
214R96.6Very high92.8Very high159 Ų15983.7 Ų83.760%0.640%0.401SS*.Hα-helixtrans-61.5-43.6175.8-73.6171.9-171.7162.14.9111.5A210 I211 Q217 Q218A210-R214 WeakPolarHBondContact O-CB 3.42Å; A210-R214 WeakPolarHBondContact O-CD 3.45Å; A210-R214 WeakPolarHBondContact O-CG 3.4Å; A210-R214 PolarHBondContact O-N 2.79Å; I211-R214 PolarHBondContact O-N 3.05Å; R214-Q217 PolarHBondContact O-N 3.4Å; R214-Q218 WeakPolarHBondContact O-CB 3.33Å; R214-Q218 PolarHBondContact O-N 3.37Å
215A96.4Very high92.4Very high16 Ų1677.9 Ų77.913%0.13239%0.392CS..Hα-helixtrans-61.7-44.9177.500000111.8L148 I211 F212 E213 Q218 V219 V233L148-A215 HydrophobicContact CD1-CB 4.05Å; I211-A215 WeakPolarHBondContact O-CB 3.5Å; I211-A215 PolarHBondContact O-N 3.12Å; F212-A215 PolarHBondContact O-N 3.1Å; E213-A215 PolarHBondContact O-N 3.22Å; A215-Q218 PolarHBondContact O-N 3.42Å; A215-V219 WeakPolarHBondContact O-CG2 3.44Å; A215-V219 PolarHBondContact O-N 2.97Å; A215-V233 HydrophobicContact CB-CG1 4.22Å; A215-V233 HydrophobicContact CB-CG2 4.21Å
216M95.8Very high92.5Very high45 Ų4577.6 Ų77.622%0.22239%0.392CS..Hα-helixtrans-63.6-42.4175.4-75.8-61.9-68.900112.3F212 E213 V219 R220 V233F212-M216 WeakPolarHBondContact O-CB 3.49Å; F212-M216 WeakPolarHBondContact O-CG 3.34Å; F212-M216 PolarHBondContact O-N 2.96Å; E213-M216 PolarHBondContact O-N 2.85Å; M216-V219 PolarHBondContact O-N 3.49Å; M216-R220 WeakPolarHBondContact O-CB 3.5Å; M216-R220 VanDerWaalsContact O-CG 3.29Å; M216-R220 WeakPolarHBondContact O-CG 3.17Å; M216-R220 PolarHBondContact O-N 3.23Å; M216-V233 HydrophobicContact CG-CG1 3.91Å; M216-V233 HydrophobicContact SD-CB 3.83Å; M216-V233 HydrophobicContact SD-CG1 3.79Å; M216-V233 HydrophobicContact SD-CG2 4.24Å
217Q94.9Very high92.7Very high92 Ų9274.2 Ų74.243%0.4337%0.365SS..Hα-helixtrans-63.3-41.8175.7-73.6175.815.200111.8E213 R214 R220 R221E213-Q217 WeakPolarHBondContact O-CB 3.4Å; E213-Q217 VanDerWaalsContact O-CG 3.26Å; E213-Q217 WeakPolarHBondContact O-CG 3.5Å; E213-Q217 PolarHBondContact O-N 3.04Å; R214-Q217 PolarHBondContact O-N 3.4Å; Q217-R220 PolarHBondContact O-N 3.19Å; Q217-R221 WeakPolarHBondContact O-CG 3.22Å; Q217-R221 PolarHBondContact O-N 2.82Å; Q217-R221 VanDerWaalsContact O-N 3.13Å
218Q93.6Very high92.9Very high121 Ų12170.8 Ų70.857%0.56535%0.347SS*.Hα-helixtrans-62.5-47.8176.5179.3171.7-21.100111.1R214 A215 R220 R221 S222R214-Q218 WeakPolarHBondContact O-CB 3.33Å; R214-Q218 PolarHBondContact O-N 3.37Å; A215-Q218 PolarHBondContact O-N 3.42Å; Q218-R220 PolarHBondContact O-N 3.03Å; Q218-R221 PolarHBondContact O-N 3.44Å; Q218-R221 VanDerWaalsContact O-N 3.14Å; Q218-S222 WeakPolarHBondContact O-CB 3.31Å; Q218-S222 PolarHBondContact O-N 3.35Å; Q218-S222 PolarHBondContact O-OG 3.28Å
219V92.6Very high93Very high12 Ų1271.2 Ų71.27%0.07335%0.35CS..Hα-helixtrans-58.4-46.5176160.40000111.7A215 M216 R221 S222 A223 P229 V233A215-V219 WeakPolarHBondContact O-CG2 3.44Å; A215-V219 PolarHBondContact O-N 2.97Å; M216-V219 PolarHBondContact O-N 3.49Å; V219-R221 PolarHBondContact O-N 3.05Å; V219-S222 PolarHBondContact O-N 3.44Å; V219-A223 CarbonylContact O-C 3.55Å; V219-A223 WeakPolarHBondContact O-CA 3.28Å; V219-A223 PolarHBondContact O-N 3.07Å; V219-P229 HydrophobicContact CB-CB 4.44Å; V219-P229 HydrophobicContact CG1-CB 3.72Å; V219-P229 HydrophobicContact CG2-CB 3.89Å; V219-V233 HydrophobicContact CG2-CG2 4.08Å
220R89.4Confident93.2Very high174 Ų17466.6 Ų66.666%0.65733%0.328SS*.Hα-helixtrans-59.3-31.9178.1-75.6174180173.31.3112.5M216 Q217 Q218M216-R220 WeakPolarHBondContact O-CB 3.5Å; M216-R220 VanDerWaalsContact O-CG 3.29Å; M216-R220 WeakPolarHBondContact O-CG 3.17Å; M216-R220 PolarHBondContact O-N 3.23Å; Q217-R220 PolarHBondContact O-N 3.19Å; Q218-R220 PolarHBondContact O-N 3.03Å
221R87.5Confident93.3Very high206 Ų20665.6 Ų65.678%0.77732%0.319SS*.Hα-helixtrans-81.8-44.9177.7-70.9174.1-178.1172.63.3112.8Q217 Q218 V219Q217-R221 WeakPolarHBondContact O-CG 3.22Å; Q217-R221 PolarHBondContact O-N 2.82Å; Q217-R221 VanDerWaalsContact O-N 3.13Å; Q218-R221 PolarHBondContact O-N 3.44Å; Q218-R221 VanDerWaalsContact O-N 3.14Å; V219-R221 PolarHBondContact O-N 3.05Å
222S85.3Confident93.4Very high94 Ų9464.6 Ų64.666%0.65731%0.313SS*.Hα-helixtrans-85.9-23.6-172.4640000114.1Q218 V219Q218-S222 WeakPolarHBondContact O-CB 3.31Å; Q218-S222 PolarHBondContact O-N 3.35Å; Q218-S222 PolarHBondContact O-OG 3.28Å; V219-S222 PolarHBondContact O-N 3.44Å
223A86.5Confident93.5Very high24 Ų2464 Ų6420%0.19831%0.311CS..SBendtrans-134.848.6-175.400000111V219 G225 A226 P229V219-A223 CarbonylContact O-C 3.55Å; V219-A223 WeakPolarHBondContact O-CA 3.28Å; V219-A223 PolarHBondContact O-N 3.07Å; A223-G225 PolarHBondContact O-N 3.46Å; A223-A226 HydrophobicContact CB-CB 4.08Å; A223-A226 WeakPolarHBondContact O-CB 3.33Å; A223-A226 PolarHBondContact O-N 2.84Å; A223-P229 HydrophobicContact CB-CG 3.89Å
224R85.4Confident93.6Very high108 Ų10862.1 Ų62.141%0.40830%0.302SS..THydrogen-bonded Turntrans-50.6127.9-179.5-168.2176.9-177.2177.8-4.7110.6A226 E506 H654R224-A226 VanDerWaalsContact C-N 3.25Å; R224-A226 PolarHBondContact O-N 3.49Å; R224-E506 IonicContact NH1-OE2 2.78Å; R224-E506 PolarHBondContact NH1-OE2 3.34Å; R224-E506 VanDerWaalsContact NH1-OE2 3.16Å; R224-H654 PolarHBondContact O-CE1 3.21Å
225G86.6Confident93.7Very high41 Ų4154.6 Ų54.642%0.42327%0.274SS..THydrogen-bonded Turntrans80.7-16.6-178.300000115.8A223 Q263A223-G225 PolarHBondContact O-N 3.46Å; G225-Q263 PolarHBondContact O-NE2 3.07Å
226A92.4Very high93.8Very high21 Ų2153.8 Ų53.817%0.17427%0.268CS..  trans-80.9128.5179.100000111.8A223 R224 P229 Q263 H654A223-A226 HydrophobicContact CB-CB 4.08Å; A223-A226 WeakPolarHBondContact O-CB 3.33Å; A223-A226 PolarHBondContact O-N 2.84Å; R224-A226 VanDerWaalsContact C-N 3.25Å; R224-A226 PolarHBondContact O-N 3.49Å; A226-P229 HydrophobicContact CB-CG 4.37Å; A226-Q263 VanDerWaalsContact CA-OE1 3.31Å; A226-H654 HydrophobicContact CB-CB 4.4Å
227I95.8Very high93.9Very high70 Ų7054.9 Ų54.936%0.35927%0.272SS..SBendtrans-83.8-35.7-176.464.2175.1000113G230 T231 L258I227-G230 PolarHBondContact O-N 3.39Å; I227-T231 PolarHBondContact O-N 2.88Å; I227-T231 PolarHBondContact O-OG1 3.26Å; I227-T231 VanDerWaalsContact O-OG1 3.09Å; I227-L258 HydrophobicContact CD1-CD2 3.85Å; I227-L258 HydrophobicContact CG1-CD2 3.73Å
228A97.5Very high94Very high2 Ų250.6 Ų50.62%0.01725%0.253CS..Hα-helixtrans-59.2-45.5-171.800000114.4V124 G127 G230 T231 C232 L258V124-A228 HydrophobicContact CG2-CB 4.26Å; G127-A228 VanDerWaalsContact C-CB 3.46Å; A228-G230 VanDerWaalsContact C-N 3.3Å; A228-G230 PolarHBondContact O-N 2.87Å; A228-T231 PolarHBondContact O-N 3.38Å; A228-C232 PolarHBondContact O-N 3.34Å; A228-C232 PolarHBondContact O-SG 2.94Å; A228-C232 VanDerWaalsContact O-SG 3.39Å; A228-L258 HydrophobicContact CB-CD1 4.04Å; A228-L258 HydrophobicContact CB-CD2 4.1Å
229P97Very high94.2Very high13 Ų1344.9 Ų44.98%0.08423%0.226CC..Hα-helixtrans-64.4-35-179.5-17.529.4000112.7V124 V219 A223 A226 C232 V233V124-P229 HydrophobicContact CG2-CB 4Å; V124-P229 HydrophobicContact CG2-CG 3.66Å; V219-P229 HydrophobicContact CB-CB 4.44Å; V219-P229 HydrophobicContact CG1-CB 3.72Å; V219-P229 HydrophobicContact CG2-CB 3.89Å; A223-P229 HydrophobicContact CB-CG 3.89Å; A226-P229 HydrophobicContact CB-CG 4.37Å; P229-C232 WeakPolarHBondContact O-CB 3.39Å; P229-C232 PolarHBondContact O-N 3Å; P229-V233 WeakPolarHBondContact O-CG2 3.23Å; P229-V233 PolarHBondContact O-N 3.17Å
230G97.4Very high94.4Very high10 Ų1045.1 Ų45.110%0.10323%0.227CC..Hα-helixtrans-68.6-39.3176.100000111.4I227 A228 V233 Q234I227-G230 PolarHBondContact O-N 3.39Å; A228-G230 VanDerWaalsContact C-N 3.3Å; A228-G230 PolarHBondContact O-N 2.87Å; G230-V233 WeakPolarHBondContact O-CB 3.22Å; G230-V233 PolarHBondContact O-N 3.15Å; G230-Q234 PolarHBondContact O-N 3.05Å
231T98.5Very high94.7Very high11 Ų1139.6 Ų39.67%0.06721%0.213CC..Hα-helixtrans-66.9-36.1174.1-54.80000112.5L129 I227 A228 V233 Q234 A235 L254 L258L129-T231 HydrophobicContact CD2-CG2 3.77Å; I227-T231 PolarHBondContact O-N 2.88Å; I227-T231 PolarHBondContact O-OG1 3.26Å; I227-T231 VanDerWaalsContact O-OG1 3.09Å; A228-T231 PolarHBondContact O-N 3.38Å; T231-V233 VanDerWaalsContact C-N 3.32Å; T231-V233 PolarHBondContact O-N 2.71Å; T231-Q234 WeakPolarHBondContact O-CB 3.28Å; T231-Q234 PolarHBondContact O-N 3.25Å; T231-Q234 VanDerWaalsContact O-N 3.15Å; T231-A235 PolarHBondContact O-N 2.86Å; T231-L254 HydrophobicContact CG2-CB 3.63Å; T231-L254 HydrophobicContact CG2-CD1 4.08Å; T231-L254 HydrophobicContact CG2-CD2 3.78Å; T231-L254 HydrophobicContact CG2-CG 4.02Å; T231-L258 HydrophobicContact CG2-CD1 3.89Å; T231-L258 HydrophobicContact CG2-CD2 4.28Å; T231-L258 HydrophobicContact CG2-CG 3.98Å
232C98.7Very high95.1Very high0 Ų033.1 Ų33.10%019%0.194CC..Hα-helixtrans-57.6-43.4171.2-77.20000112.1L129 I151 T152 A228 P229 Q234 A235 V236L129-C232 VanDerWaalsContact CB-SG 3.58Å; I151-C232 HydrophobicContact CG2-CB 3.83Å; T152-C232 HydrophobicContact CG2-CB 3.98Å; A228-C232 PolarHBondContact O-N 3.34Å; A228-C232 PolarHBondContact O-SG 2.94Å; A228-C232 VanDerWaalsContact O-SG 3.39Å; P229-C232 WeakPolarHBondContact O-CB 3.39Å; P229-C232 PolarHBondContact O-N 3Å; C232-Q234 VanDerWaalsContact C-N 3.31Å; C232-Q234 PolarHBondContact O-N 3.4Å; C232-A235 PolarHBondContact O-N 3.06Å; C232-V236 WeakPolarHBondContact O-CG2 3Å; C232-V236 PolarHBondContact O-N 2.89Å
233V98.4Very high95.7Very high3 Ų333.1 Ų33.12%0.01819%0.191CC..Hα-helixtrans-59.5-44175.3177.50000110.6L148 T152 F212 A215 M216 V219 P229 G230 T231 A235 V236 H237L148-V233 HydrophobicContact CD2-CB 4.34Å; L148-V233 HydrophobicContact CD2-CG1 4.17Å; L148-V233 HydrophobicContact CD2-CG2 4.2Å; T152-V233 HydrophobicContact CG2-CG2 3.59Å; F212-V233 HydrophobicContact CD1-CG1 3.57Å; F212-V233 HydrophobicContact CE1-CG1 4.11Å; F212-V233 WeakPolarHBondContact CE1-O 3.44Å; A215-V233 HydrophobicContact CB-CG1 4.22Å; A215-V233 HydrophobicContact CB-CG2 4.21Å; M216-V233 HydrophobicContact CG-CG1 3.91Å; M216-V233 HydrophobicContact SD-CB 3.83Å; M216-V233 HydrophobicContact SD-CG1 3.79Å; M216-V233 HydrophobicContact SD-CG2 4.24Å; V219-V233 HydrophobicContact CG2-CG2 4.08Å; P229-V233 WeakPolarHBondContact O-CG2 3.23Å; P229-V233 PolarHBondContact O-N 3.17Å; G230-V233 WeakPolarHBondContact O-CB 3.22Å; G230-V233 PolarHBondContact O-N 3.15Å; T231-V233 VanDerWaalsContact C-N 3.32Å; T231-V233 PolarHBondContact O-N 2.71Å; V233-A235 PolarHBondContact O-N 3.03Å; V233-V236 PolarHBondContact O-N 3.22Å; V233-H237 WeakPolarHBondContact O-CB 3.04Å; V233-H237 PolarHBondContact O-N 2.9Å
234Q98.4Very high96.2Very high83 Ų8333.8 Ų33.839%0.38819%0.189SC..Hα-helixtrans-64.3-38.1177.5-64.8175.23.200112.9G230 T231 C232 H237 A238 L254G230-Q234 PolarHBondContact O-N 3.05Å; T231-Q234 WeakPolarHBondContact O-CB 3.28Å; T231-Q234 PolarHBondContact O-N 3.25Å; T231-Q234 VanDerWaalsContact O-N 3.15Å; C232-Q234 VanDerWaalsContact C-N 3.31Å; C232-Q234 PolarHBondContact O-N 3.4Å; Q234-H237 WeakPolarHBondContact O-CB 3.46Å; Q234-H237 PolarHBondContact O-N 3.23Å; Q234-A238 PolarHBondContact O-N 3.2Å; Q234-L254 HydrophobicContact CB-CD1 3.86Å
235A98.6Very high96.8Very high0 Ų031.7 Ų31.70%020%0.195CC..Hα-helixtrans-66.6-40.8177.900000111.9L129 T135 Q136 T231 C232 V233 A238 A239 L254L129-A235 HydrophobicContact CD2-CB 4.07Å; T135-A235 HydrophobicContact CG2-CB 3.87Å; Q136-A235 PolarHBondContact NE2-O 2.69Å; T231-A235 PolarHBondContact O-N 2.86Å; C232-A235 PolarHBondContact O-N 3.06Å; V233-A235 PolarHBondContact O-N 3.03Å; A235-A238 WeakPolarHBondContact O-CB 3.4Å; A235-A238 PolarHBondContact O-N 3.36Å; A235-A239 PolarHBondContact O-N 3.03Å; A235-L254 HydrophobicContact CB-CD1 3.9Å
236V98.6Very high97.3Very high0 Ų034.6 Ų34.60%020%0.196CC..Hα-helixtrans-67.9-36.4173.5175.20000111.5P139 V144 L148 I151 F212 C232 V233 A238 A239P139-V236 HydrophobicContact CB-CG1 4.43Å; P139-V236 HydrophobicContact CG-CG1 3.82Å; P139-V236 HydrophobicContact CG-CG2 4.49Å; V144-V236 HydrophobicContact CG1-CG1 4.27Å; L148-V236 HydrophobicContact CD2-CB 3.83Å; L148-V236 HydrophobicContact CD2-CG1 3.83Å; L148-V236 HydrophobicContact CD2-CG2 4.24Å; L148-V236 HydrophobicContact CG-CB 4.46Å; L148-V236 HydrophobicContact CG-CG1 3.91Å; I151-V236 HydrophobicContact CD1-CG2 3.61Å; F212-V236 HydrophobicContact CE1-CB 4.5Å; F212-V236 HydrophobicContact CE1-CG1 4.36Å; F212-V236 HydrophobicContact CZ-CG1 4.21Å; C232-V236 WeakPolarHBondContact O-CG2 3Å; C232-V236 PolarHBondContact O-N 2.89Å; V233-V236 PolarHBondContact O-N 3.22Å; V236-A238 VanDerWaalsContact C-N 3.27Å; V236-A238 PolarHBondContact O-N 3.33Å; V236-A239 VanDerWaalsContact O-CB 3.32Å; V236-A239 WeakPolarHBondContact O-CB 3.22Å; V236-A239 PolarHBondContact O-N 3.29Å; V236-A239 VanDerWaalsContact O-N 3.11Å
237H98.1Very high97.6Very high67 Ų6733.6 Ų33.631%0.3119%0.187SC..Hα-helixtrans-59.8-37.8173.7-174.6-96.9000112.3F212 V233 Q234 A239 V240 T241F212-H237 HydrophobicContact CD1-CB 3.86Å; F212-H237 AromaticContact CD1-CD2 3.88Å; F212-H237 AromaticContact CD2-CD2 3.61Å; F212-H237 VanDerWaalsContact CE1-CA 3.46Å; F212-H237 HydrophobicContact CE1-CB 3.44Å; F212-H237 VanDerWaalsContact CE1-CB 3.44Å; F212-H237 HydrophobicContact CE2-CB 4.46Å; F212-H237 AromaticContact CE2-CD2 3.73Å; F212-H237 AromaticContact CG-CD2 3.7Å; F212-H237 HydrophobicContact CZ-CB 3.79Å; F212-H237 AromaticContact CZ-CD2 3.94Å; V233-H237 WeakPolarHBondContact O-CB 3.04Å; V233-H237 PolarHBondContact O-N 2.9Å; Q234-H237 WeakPolarHBondContact O-CB 3.46Å; Q234-H237 PolarHBondContact O-N 3.23Å; H237-A239 PolarHBondContact O-N 2.9Å; H237-V240 WeakPolarHBondContact O-CG1 3.41Å; H237-V240 PolarHBondContact O-N 3.39Å; H237-T241 WeakPolarHBondContact CE1-CG2 3.4Å; H237-T241 PolarHBondContact O-N 3.36Å; H237-T241 VanDerWaalsContact O-N 3.14Å; H237-T241 PolarHBondContact O-OG1 2.95Å
238A98.2Very high97.7Very high3 Ų331.2 Ų31.23%0.02518%0.175CC..Hα-helixtrans-61.4-33.6176.100000112.2Q234 A235 V236 V240 T241 L242 R250Q234-A238 PolarHBondContact O-N 3.2Å; A235-A238 WeakPolarHBondContact O-CB 3.4Å; A235-A238 PolarHBondContact O-N 3.36Å; V236-A238 VanDerWaalsContact C-N 3.27Å; V236-A238 PolarHBondContact O-N 3.33Å; A238-V240 VanDerWaalsContact C-N 3.28Å; A238-V240 PolarHBondContact O-N 3.28Å; A238-T241 PolarHBondContact O-N 3.5Å; A238-L242 HydrophobicContact CB-CD1 4.17Å; A238-L242 WeakPolarHBondContact O-CB 3.38Å; A238-L242 PolarHBondContact O-N 3.47Å; A238-R250 HydrophobicContact CB-CB 3.99Å; A238-R250 HydrophobicContact CB-CG 3.74Å
239A97.6Very high97.8Very high1 Ų134.6 Ų34.61%0.00819%0.19CC..Hα-helixtrans-64.2-32.1-17800000113.6Q136 P139 R140 C202 A235 V236 H237Q136-A239 VanDerWaalsContact OE1-CA 3.25Å; P139-A239 HydrophobicContact CB-CB 4.33Å; P139-A239 HydrophobicContact CG-CB 4.03Å; R140-A239 PolarHBondContact NH1-O 3.29Å; R140-A239 PolarHBondContact NH2-O 2.92Å; C202-A239 WeakPolarHBondContact CB-O 3.48Å; A235-A239 PolarHBondContact O-N 3.03Å; V236-A239 VanDerWaalsContact O-CB 3.32Å; V236-A239 WeakPolarHBondContact O-CB 3.22Å; V236-A239 PolarHBondContact O-N 3.29Å; V236-A239 VanDerWaalsContact O-N 3.11Å; H237-A239 PolarHBondContact O-N 2.9Å
240V96.1Very high97.8Very high17 Ų1738.2 Ų38.210%0.10320%0.202CC..Hα-helixtrans-97-22.4-177.858.80000113.4V144 R204 L208 F212 H237 A238V144-V240 HydrophobicContact CG2-CB 4.21Å; V144-V240 HydrophobicContact CG2-CG1 4.43Å; V144-V240 HydrophobicContact CG2-CG2 4.44Å; R204-V240 HydrophobicContact CB-CG2 4.16Å; R204-V240 HydrophobicContact CG-CG2 4.15Å; L208-V240 HydrophobicContact CD1-CG1 4.07Å; L208-V240 HydrophobicContact CD1-CG2 3.84Å; L208-V240 HydrophobicContact CD2-CG1 4.3Å; L208-V240 HydrophobicContact CD2-CG2 4.11Å; F212-V240 HydrophobicContact CE2-CG1 3.97Å; F212-V240 HydrophobicContact CZ-CG1 4.09Å; H237-V240 WeakPolarHBondContact O-CG1 3.41Å; H237-V240 PolarHBondContact O-N 3.39Å; A238-V240 VanDerWaalsContact C-N 3.28Å; A238-V240 PolarHBondContact O-N 3.28Å
241T95.7Very high97.9Very high58 Ų5837.8 Ų37.836%0.35620%0.197SC..Hα-helixtrans-100.3-20.5-178.554.30000114.3H237 A238H237-T241 WeakPolarHBondContact CE1-CG2 3.4Å; H237-T241 PolarHBondContact O-N 3.36Å; H237-T241 VanDerWaalsContact O-N 3.14Å; H237-T241 PolarHBondContact O-OG1 2.95Å; A238-T241 PolarHBondContact O-N 3.5Å
242L97.2Very high97.9Very high70 Ų7045 Ų4537%0.36622%0.223SC..SBendtrans-118.9152.3-177.5-55.8178.2000112.1A238 K246 R250A238-L242 HydrophobicContact CB-CD1 4.17Å; A238-L242 WeakPolarHBondContact O-CB 3.38Å; A238-L242 PolarHBondContact O-N 3.47Å; L242-K246 HydrophobicContact CB-CB 4.01Å; L242-K246 HydrophobicContact CD1-CB 4.31Å; L242-R250 HydrophobicContact CD1-CB 4.34Å
243P97.2Very high97.8Very high93 Ų9349.6 Ų49.660%0.60425%0.245SC*.  trans-55.4150.1164.3-23.434000111.3A245 K246 G247P243-A245 VanDerWaalsContact C-N 3.32Å; P243-A245 PolarHBondContact O-N 3.23Å; P243-A245 VanDerWaalsContact O-N 3.15Å; P243-K246 WeakPolarHBondContact O-CA 3.41Å; P243-K246 PolarHBondContact O-N 3.16Å; P243-G247 PolarHBondContact O-N 2.84Å
244Y97.1Very high97.8Very high39 Ų3949.7 Ų49.715%0.15325%0.245CC..Hα-helixtrans-50.2-47.1-172.1179.8-99.7000113.7Q136 R137 S198 K246 G247 M248Q136-Y244 HydrophobicContact CB-CD2 4.17Å; Q136-Y244 HydrophobicContact CB-CE2 3.74Å; R137-Y244 HydrophobicContact CG-CE2 4.37Å; R137-Y244 PolarHBondContact NH2-OH 2.56Å; S198-Y244 VanDerWaalsContact CB-CZ 3.46Å; Y244-K246 VanDerWaalsContact C-N 3.34Å; Y244-K246 PolarHBondContact O-N 3.16Å; Y244-G247 PolarHBondContact O-N 3.49Å; Y244-M248 HydrophobicContact CD1-CG 4.16Å; Y244-M248 HydrophobicContact CE1-CG 3.69Å; Y244-M248 HydrophobicContact CE1-SD 4.34Å; Y244-M248 HydrophobicContact CE2-CG 4.2Å; Y244-M248 HydrophobicContact CE2-SD 4.18Å; Y244-M248 WeakPolarHBondContact O-CG 3.46Å; Y244-M248 PolarHBondContact O-N 3.46Å; Y244-M248 PolarHBondContact OH-SD 3.1Å
245A97.1Very high97.8Very high64 Ų6448.1 Ų48.153%0.52924%0.237SC..Hα-helixtrans-60.2-41178.900000112.9P243 M248 E249P243-A245 VanDerWaalsContact C-N 3.32Å; P243-A245 PolarHBondContact O-N 3.23Å; P243-A245 VanDerWaalsContact O-N 3.15Å; A245-M248 PolarHBondContact O-N 3.47Å; A245-E249 WeakPolarHBondContact O-CG 3.26Å; A245-E249 PolarHBondContact O-N 3.43Å
246K98.4Very high97.6Very high102 Ų10251 Ų5144%0.44326%0.258SS..Hα-helixtrans-72.1-33.9175.8-68.5-51-170.1-170.10112.5L242 P243 Y244 E249 R250L242-K246 HydrophobicContact CB-CB 4.01Å; L242-K246 HydrophobicContact CD1-CB 4.31Å; P243-K246 WeakPolarHBondContact O-CA 3.41Å; P243-K246 PolarHBondContact O-N 3.16Å; Y244-K246 VanDerWaalsContact C-N 3.34Å; Y244-K246 PolarHBondContact O-N 3.16Å; K246-E249 WeakPolarHBondContact CD-OE2 3.45Å; K246-E249 IonicContact NZ-OE1 2.69Å; K246-E249 PolarHBondContact NZ-OE1 3.2Å; K246-E249 IonicContact NZ-OE2 3.54Å; K246-E249 PolarHBondContact NZ-OE2 3.24Å; K246-E249 PolarHBondContact O-N 3.04Å; K246-R250 WeakPolarHBondContact O-CB 3.44Å; K246-R250 PolarHBondContact O-N 3.2Å
247G98.4Very high97.5Very high0 Ų055.9 Ų55.90%028%0.283CS..Hα-helixtrans-60.8-43.5169.500000112.6Q136 P243 Y244 R250 E251Q136-G247 VanDerWaalsContact OE1-CA 3.24Å; P243-G247 PolarHBondContact O-N 2.84Å; Y244-G247 PolarHBondContact O-N 3.49Å; G247-R250 PolarHBondContact O-N 3.48Å; G247-E251 WeakPolarHBondContact O-CB 3.42Å; G247-E251 PolarHBondContact O-N 3.09Å
248M98.3Very high97.4Very high19 Ų1952.7 Ų52.79%0.09427%0.268CS..Hα-helixtrans-64.4-40.5175.2-70.6-62.6-6000112.7V76 G133 Q136 Y244 A245 R250 E251 R252V76-M248 HydrophobicContact CG1-CE 3.93Å; V76-M248 HydrophobicContact CG2-CE 4.11Å; G133-M248 WeakPolarHBondContact CA-SD 3.48Å; Q136-M248 HydrophobicContact CB-SD 3.92Å; Q136-M248 HydrophobicContact CG-CG 4.28Å; Q136-M248 HydrophobicContact CG-SD 3.6Å; Q136-M248 VanDerWaalsContact CG-SD 3.6Å; Y244-M248 HydrophobicContact CD1-CG 4.16Å; Y244-M248 HydrophobicContact CE1-CG 3.69Å; Y244-M248 HydrophobicContact CE1-SD 4.34Å; Y244-M248 HydrophobicContact CE2-CG 4.2Å; Y244-M248 HydrophobicContact CE2-SD 4.18Å; Y244-M248 WeakPolarHBondContact O-CG 3.46Å; Y244-M248 PolarHBondContact O-N 3.46Å; Y244-M248 PolarHBondContact OH-SD 3.1Å; A245-M248 PolarHBondContact O-N 3.47Å; M248-R250 VanDerWaalsContact C-N 3.33Å; M248-E251 PolarHBondContact O-N 3.14Å; M248-R252 WeakPolarHBondContact O-CB 3.49Å; M248-R252 PolarHBondContact O-N 2.59Å
249E98.3Very high97.1Very high73 Ų7355.1 Ų55.134%0.34128%0.279SS..Hα-helixtrans-58.7-46.4172.3-73.1171.4-159.600110.7A245 K246 R252 E253A245-E249 WeakPolarHBondContact O-CG 3.26Å; A245-E249 PolarHBondContact O-N 3.43Å; K246-E249 WeakPolarHBondContact CD-OE2 3.45Å; K246-E249 IonicContact NZ-OE1 2.69Å; K246-E249 PolarHBondContact NZ-OE1 3.2Å; K246-E249 IonicContact NZ-OE2 3.54Å; K246-E249 PolarHBondContact NZ-OE2 3.24Å; K246-E249 PolarHBondContact O-N 3.04Å; E249-R252 WeakPolarHBondContact O-CB 3.43Å; E249-R252 PolarHBondContact O-N 2.92Å; E249-E253 WeakPolarHBondContact O-CG 3.23Å; E249-E253 PolarHBondContact O-N 3.34Å
250R98.5Very high96.8Very high89 Ų8960.2 Ų60.234%0.33631%0.31SS..Hα-helixtrans-65.4-42179.1-175.755.5178.3168.41.3112.9A238 L242 K246 G247 M248 R252 E253 L254A238-R250 HydrophobicContact CB-CB 3.99Å; A238-R250 HydrophobicContact CB-CG 3.74Å; L242-R250 HydrophobicContact CD1-CB 4.34Å; K246-R250 WeakPolarHBondContact O-CB 3.44Å; K246-R250 PolarHBondContact O-N 3.2Å; G247-R250 PolarHBondContact O-N 3.48Å; M248-R250 VanDerWaalsContact C-N 3.33Å; R250-R252 VanDerWaalsContact C-N 3.3Å; R250-R252 PolarHBondContact O-N 3.13Å; R250-E253 WeakPolarHBondContact CD-OE2 3.26Å; R250-E253 IonicContact CZ-OE2 3.66Å; R250-E253 IonicContact NH1-OE2 3Å; R250-E253 PolarHBondContact NH1-OE2 3.1Å; R250-E253 PolarHBondContact O-N 3.43Å; R250-L254 HydrophobicContact CG-CD1 4.21Å; R250-L254 HydrophobicContact CG-CG 4.48Å; R250-L254 WeakPolarHBondContact O-CB 3.24Å; R250-L254 VanDerWaalsContact O-CG 3.32Å; R250-L254 WeakPolarHBondContact O-CG 3.39Å; R250-L254 PolarHBondContact O-N 3.38Å
251E98.6Very high96.8Very high1 Ų160.2 Ų60.21%0.00531%0.31CS..Hα-helixtrans-56.9-45.9174-175.6-172.281.700110.7L129 P130 G131 G133 T135 Q136 G247 M248 E253 L254 F255L129-E251 HydrophobicContact CD1-CG 3.79Å; P130-E251 WeakPolarHBondContact O-CG 3.22Å; G131-E251 VanDerWaalsContact C-OE1 3.28Å; G133-E251 VanDerWaalsContact CA-OE1 3.23Å; G133-E251 WeakPolarHBondContact CA-OE1 3.32Å; G133-E251 VanDerWaalsContact CA-OE2 3.28Å; G133-E251 WeakPolarHBondContact CA-OE2 3.29Å; G133-E251 PolarHBondContact N-OE1 3.14Å; G133-E251 PolarHBondContact N-OE2 3.07Å; T135-E251 WeakPolarHBondContact CB-OE2 3.18Å; T135-E251 PolarHBondContact N-OE2 3.43Å; T135-E251 VanDerWaalsContact OG1-CD 3.31Å; T135-E251 WeakPolarHBondContact OG1-CG 3.34Å; T135-E251 PolarHBondContact OG1-OE2 2.92Å; Q136-E251 HydrophobicContact CG-CB 4.38Å; G247-E251 WeakPolarHBondContact O-CB 3.42Å; G247-E251 PolarHBondContact O-N 3.09Å; M248-E251 PolarHBondContact O-N 3.14Å; E251-E253 PolarHBondContact O-N 3.01Å; E251-L254 PolarHBondContact O-N 3.17Å; E251-F255 VanDerWaalsContact O-CB 3.32Å; E251-F255 WeakPolarHBondContact O-CB 3.3Å; E251-F255 PolarHBondContact O-N 3.45Å
252R97.6Very high96.7Very high162 Ų16258.5 Ų58.561%0.61130%0.304SS*.Hα-helixtrans-62.6-43.2178.6-178.1-177.265.3179.6-1.2112.7M248 E249 R250 S256M248-R252 WeakPolarHBondContact O-CB 3.49Å; M248-R252 PolarHBondContact O-N 2.59Å; E249-R252 WeakPolarHBondContact O-CB 3.43Å; E249-R252 PolarHBondContact O-N 2.92Å; R250-R252 VanDerWaalsContact C-N 3.3Å; R250-R252 PolarHBondContact O-N 3.13Å; R252-S256 WeakPolarHBondContact O-CB 3.44Å; R252-S256 PolarHBondContact O-N 3.26Å; R252-S256 PolarHBondContact O-OG 2.91Å
253E98.1Very high96.6Very high98 Ų9856.9 Ų56.946%0.45830%0.295SS..Hα-helixtrans-58.8-50.3175.7-72.5169.9-172.800111.2E249 R250 E251 S256 L257E249-E253 WeakPolarHBondContact O-CG 3.23Å; E249-E253 PolarHBondContact O-N 3.34Å; R250-E253 WeakPolarHBondContact CD-OE2 3.26Å; R250-E253 IonicContact CZ-OE2 3.66Å; R250-E253 IonicContact NH1-OE2 3Å; R250-E253 PolarHBondContact NH1-OE2 3.1Å; R250-E253 PolarHBondContact O-N 3.43Å; E251-E253 PolarHBondContact O-N 3.01Å; E253-S256 PolarHBondContact O-N 3.03Å; E253-L257 PolarHBondContact O-N 3.01Å
254L98.4Very high96.5Very high4 Ų452.5 Ų52.52%0.02127%0.266CS..Hα-helixtrans-65.8-40.4-178.7-70.5-177.5000111.9L129 T231 Q234 A235 R250 E251 S256 L257 L258L129-L254 HydrophobicContact CD2-CB 3.76Å; T231-L254 HydrophobicContact CG2-CB 3.63Å; T231-L254 HydrophobicContact CG2-CD1 4.08Å; T231-L254 HydrophobicContact CG2-CD2 3.78Å; T231-L254 HydrophobicContact CG2-CG 4.02Å; Q234-L254 HydrophobicContact CB-CD1 3.86Å; A235-L254 HydrophobicContact CB-CD1 3.9Å; R250-L254 HydrophobicContact CG-CD1 4.21Å; R250-L254 HydrophobicContact CG-CG 4.48Å; R250-L254 WeakPolarHBondContact O-CB 3.24Å; R250-L254 VanDerWaalsContact O-CG 3.32Å; R250-L254 WeakPolarHBondContact O-CG 3.39Å; R250-L254 PolarHBondContact O-N 3.38Å; E251-L254 PolarHBondContact O-N 3.17Å; L254-S256 VanDerWaalsContact C-N 3.34Å; L254-S256 PolarHBondContact O-N 3.34Å; L254-L257 PolarHBondContact O-N 2.82Å; L254-L258 WeakPolarHBondContact O-CG 3.25Å; L254-L258 PolarHBondContact O-N 3.22Å; L254-L258 VanDerWaalsContact O-N 3.11Å
255F97.3Very high96.4Very high50 Ų5058 Ų5822%0.21929%0.287CS..Hα-helixtrans-59.4-45.4172.8-176.3-89.2000111.3L128 L129 E251 L257 L258 F259L128-F255 HydrophobicContact CB-CE2 4.29Å; L128-F255 HydrophobicContact CD1-CE2 4.34Å; L128-F255 HydrophobicContact CD1-CZ 4.41Å; L129-F255 HydrophobicContact CD1-CB 3.95Å; L129-F255 HydrophobicContact CD1-CD2 4.07Å; L129-F255 HydrophobicContact CG-CB 4.36Å; L129-F255 HydrophobicContact CG-CD2 4.32Å; L129-F255 VanDerWaalsContact O-CD2 3.3Å; L129-F255 WeakPolarHBondContact O-CD2 3.49Å; L129-F255 WeakPolarHBondContact O-CE2 3.11Å; E251-F255 VanDerWaalsContact O-CB 3.32Å; E251-F255 WeakPolarHBondContact O-CB 3.3Å; E251-F255 PolarHBondContact O-N 3.45Å; F255-L257 VanDerWaalsContact C-N 3.34Å; F255-L257 PolarHBondContact O-N 3.36Å; F255-L258 PolarHBondContact O-N 3Å; F255-F259 HydrophobicContact CD1-CB 4.32Å; F255-F259 HydrophobicContact CE1-CB 4.05Å; F255-F259 AromaticContact CE1-CD2 3.78Å; F255-F259 HydrophobicContact CE1-CD2 3.78Å; F255-F259 HydrophobicContact CE1-CG 4.08Å; F255-F259 AromaticContact CZ-CD2 3.85Å; F255-F259 HydrophobicContact CZ-CD2 3.85Å; F255-F259 HydrophobicContact CZ-CE2 4.5Å; F255-F259 VanDerWaalsContact O-CB 3.28Å; F255-F259 WeakPolarHBondContact O-CB 3.13Å; F255-F259 PolarHBondContact O-N 3.35Å
256S94.8Very high96.4Very high61 Ų6154.9 Ų54.943%0.42726%0.261SS..Hα-helixtrans-64.5-37.9-178.6-57.30000112.4R252 E253 L254 T260R252-S256 WeakPolarHBondContact O-CB 3.44Å; R252-S256 PolarHBondContact O-N 3.26Å; R252-S256 PolarHBondContact O-OG 2.91Å; E253-S256 PolarHBondContact O-N 3.03Å; L254-S256 VanDerWaalsContact C-N 3.34Å; L254-S256 PolarHBondContact O-N 3.34Å; S256-T260 PolarHBondContact O-N 3.41Å; S256-T260 PolarHBondContact O-OG1 3.44Å
257L95.9Very high96.3Very high103 Ų10351 Ų5154%0.53925%0.245SC..Hα-helixtrans-60.4-47.3172.4176.768.8000111.3E253 L254 F255 T260E253-L257 PolarHBondContact O-N 3.01Å; L254-L257 PolarHBondContact O-N 2.82Å; F255-L257 VanDerWaalsContact C-N 3.34Å; F255-L257 PolarHBondContact O-N 3.36Å; L257-T260 PolarHBondContact O-OG1 2.97Å
258L96.9Very high96.2Very high0 Ų052 Ų520%025%0.25CC..Hα-helixtrans-68.2-44-180-70.4-175.7000112.2G127 L128 L129 I227 A228 T231 L254 F255 T260 S261 A264G127-L258 WeakPolarHBondContact O-CB 3.43Å; L128-L258 HydrophobicContact CD2-CB 4.2Å; L129-L258 HydrophobicContact CB-CD1 4.17Å; L129-L258 HydrophobicContact CD2-CD1 3.79Å; L129-L258 HydrophobicContact CG-CD1 3.99Å; I227-L258 HydrophobicContact CD1-CD2 3.85Å; I227-L258 HydrophobicContact CG1-CD2 3.73Å; A228-L258 HydrophobicContact CB-CD1 4.04Å; A228-L258 HydrophobicContact CB-CD2 4.1Å; T231-L258 HydrophobicContact CG2-CD1 3.89Å; T231-L258 HydrophobicContact CG2-CD2 4.28Å; T231-L258 HydrophobicContact CG2-CG 3.98Å; L254-L258 WeakPolarHBondContact O-CG 3.25Å; L254-L258 PolarHBondContact O-N 3.22Å; L254-L258 VanDerWaalsContact O-N 3.11Å; F255-L258 PolarHBondContact O-N 3Å; L258-T260 PolarHBondContact O-N 3.32Å; L258-S261 VanDerWaalsContact O-CB 3.23Å; L258-S261 WeakPolarHBondContact O-CB 3.34Å; L258-S261 PolarHBondContact O-N 3.2Å; L258-S261 PolarHBondContact O-OG 2.83Å; L258-A264 WeakPolarHBondContact O-CB 3.34Å
259F92.6Very high96.1Very high54 Ų5452.4 Ų52.424%0.23725%0.251CS..Hα-helixtrans-60.2-34.2-175-168.5-96000113F66 L128 F255F66-F259 HydrophobicContact CB-CE2 4.08Å; F66-F259 HydrophobicContact CB-CZ 4.11Å; F66-F259 HydrophobicContact CD1-CE2 4Å; F66-F259 HydrophobicContact CD1-CZ 4.38Å; F66-F259 HydrophobicContact CD2-CE2 4.18Å; F66-F259 HydrophobicContact CE1-CE2 4.47Å; F66-F259 AromaticContact CG-CE2 3.84Å; F66-F259 HydrophobicContact CG-CE2 3.84Å; F66-F259 HydrophobicContact CG-CZ 4.28Å; L128-F259 HydrophobicContact CD1-CD2 4.32Å; L128-F259 HydrophobicContact CD2-CB 4.08Å; L128-F259 HydrophobicContact CD2-CD2 3.93Å; L128-F259 HydrophobicContact CD2-CG 4.48Å; F255-F259 HydrophobicContact CD1-CB 4.32Å; F255-F259 HydrophobicContact CE1-CB 4.05Å; F255-F259 AromaticContact CE1-CD2 3.78Å; F255-F259 HydrophobicContact CE1-CD2 3.78Å; F255-F259 HydrophobicContact CE1-CG 4.08Å; F255-F259 AromaticContact CZ-CD2 3.85Å; F255-F259 HydrophobicContact CZ-CD2 3.85Å; F255-F259 HydrophobicContact CZ-CE2 4.5Å; F255-F259 VanDerWaalsContact O-CB 3.28Å; F255-F259 WeakPolarHBondContact O-CB 3.13Å; F255-F259 PolarHBondContact O-N 3.35Å
260T91.3Very high96Very high108 Ų10849.4 Ų49.466%0.66324%0.236SC*.THydrogen-bonded Turntrans-88.7-3.3178.556.50000113.7S256 L257 L258S256-T260 PolarHBondContact O-N 3.41Å; S256-T260 PolarHBondContact O-OG1 3.44Å; L257-T260 PolarHBondContact O-OG1 2.97Å; L258-T260 PolarHBondContact O-N 3.32Å
261S94.9Very high95.8Very high17 Ų1747.8 Ų47.812%0.11923%0.232CC..SBendtrans-72.3152.4-176.576.80000113.5L258 Q263 A264 R265L258-S261 VanDerWaalsContact O-CB 3.23Å; L258-S261 WeakPolarHBondContact O-CB 3.34Å; L258-S261 PolarHBondContact O-N 3.2Å; L258-S261 PolarHBondContact O-OG 2.83Å; S261-Q263 VanDerWaalsContact C-N 3.26Å; S261-Q263 PolarHBondContact O-N 3.16Å; S261-A264 WeakPolarHBondContact OG-CB 3.42Å; S261-A264 PolarHBondContact OG-N 3.39Å; S261-A264 VanDerWaalsContact OG-N 3.08Å; S261-R265 PolarHBondContact O-N 2.56Å
262G93.4Very high95.6Very high22 Ų2251.9 Ų51.923%0.22725%0.249CC..Hα-helixtrans-61.2-34169.800000113R265 A266G262-R265 PolarHBondContact O-N 2.94Å; G262-A266 WeakPolarHBondContact O-CB 3.35Å; G262-A266 PolarHBondContact O-N 3.4Å
263Q95.8Very high95.5Very high36 Ų3644.2 Ų44.217%0.16822%0.221CC..Hα-helixtrans-69.3-38.1-179-64.6-165.53.300113G225 A226 S261 A266 L267 H654G225-Q263 PolarHBondContact O-NE2 3.07Å; A226-Q263 VanDerWaalsContact CA-OE1 3.31Å; S261-Q263 VanDerWaalsContact C-N 3.26Å; S261-Q263 PolarHBondContact O-N 3.16Å; Q263-A266 PolarHBondContact O-N 2.92Å; Q263-L267 WeakPolarHBondContact O-CB 3.48Å; Q263-L267 WeakPolarHBondContact O-CG 3.48Å; Q263-L267 PolarHBondContact O-N 3.17Å; Q263-H654 WeakPolarHBondContact CA-O 3.27Å; Q263-H654 HydrophobicContact CB-CB 4.19Å; Q263-H654 HydrophobicContact CG-CB 4.14Å; Q263-H654 WeakPolarHBondContact CG-O 3.27Å; Q263-H654 PolarHBondContact NE2-CD2 2.97Å
264A95.8Very high95.3Very high0 Ų042.2 Ų42.20%021%0.212CC..Hα-helixtrans-62-45.6174.400000111L128 L258 S261 A266 L267 Q268L128-A264 HydrophobicContact CD2-CB 4.07Å; L258-A264 WeakPolarHBondContact O-CB 3.34Å; S261-A264 WeakPolarHBondContact OG-CB 3.42Å; S261-A264 PolarHBondContact OG-N 3.39Å; S261-A264 VanDerWaalsContact OG-N 3.08Å; A264-A266 VanDerWaalsContact C-N 3.3Å; A264-A266 PolarHBondContact O-N 2.98Å; A264-L267 PolarHBondContact O-N 3.21Å; A264-Q268 WeakPolarHBondContact O-CB 3.45Å; A264-Q268 WeakPolarHBondContact O-CG 3.43Å; A264-Q268 PolarHBondContact O-N 2.67Å
265R94.7Very high95Very high154 Ų15448 Ų4858%0.58123%0.233SC*.Hα-helixtrans-58-42.8173.9-69.4-172.6-73.2166.6-2.5112.1S261 G262 Y269 F660S261-R265 PolarHBondContact O-N 2.56Å; G262-R265 PolarHBondContact O-N 2.94Å; R265-Y269 VanDerWaalsContact O-CB 3.3Å; R265-Y269 WeakPolarHBondContact O-CB 3.45Å; R265-Y269 PolarHBondContact O-N 3.15Å; R265-F660 HydrophobicContact CB-CZ 4.43Å
266A96.4Very high94.7Very high0 Ų047.1 Ų47.10%024%0.235CC..Hα-helixtrans-65.5-43.9179.400000113.2G262 Q263 A264 Y269 Y270 H654 F660G262-A266 WeakPolarHBondContact O-CB 3.35Å; G262-A266 PolarHBondContact O-N 3.4Å; Q263-A266 PolarHBondContact O-N 2.92Å; A264-A266 VanDerWaalsContact C-N 3.3Å; A264-A266 PolarHBondContact O-N 2.98Å; A266-Y269 PolarHBondContact O-N 2.99Å; A266-Y270 WeakPolarHBondContact O-CB 3.41Å; A266-Y270 PolarHBondContact O-N 3.44Å; A266-H654 WeakPolarHBondContact CB-O 3.26Å; A266-F660 HydrophobicContact CB-CD1 4.08Å; A266-F660 HydrophobicContact CB-CE1 3.48Å; A266-F660 VanDerWaalsContact CB-CE1 3.48Å; A266-F660 HydrophobicContact CB-CZ 4.04Å
267L96.9Very high94.7Very high19 Ų1944.4 Ų44.410%0.09922%0.216CC..Hα-helixtrans-69.2-38.8178.3-74164.4000112.2G127 Q263 A264 Y270 F271 R653 H654G127-L267 VanDerWaalsContact N-CD1 3.32Å; Q263-L267 WeakPolarHBondContact O-CB 3.48Å; Q263-L267 WeakPolarHBondContact O-CG 3.48Å; Q263-L267 PolarHBondContact O-N 3.17Å; A264-L267 PolarHBondContact O-N 3.21Å; L267-Y270 PolarHBondContact O-N 3.49Å; L267-F271 WeakPolarHBondContact O-CB 3.48Å; L267-F271 PolarHBondContact O-N 3.3Å; L267-R653 HydrophobicContact CD2-CB 3.68Å; L267-R653 WeakPolarHBondContact CD2-O 3.26Å; L267-H654 HydrophobicContact CD1-CB 4.2Å; L267-H654 HydrophobicContact CG-CB 4.36Å
268Q95.4Very high94.4Very high21 Ų2142.9 Ų42.910%0.09821%0.214CC..Hα-helixtrans-66-43.6173.8-68.9166.125.700111.5I63 L126 A264 Y270 F271 F272I63-Q268 HydrophobicContact CG2-CG 4.48Å; L126-Q268 HydrophobicContact CB-CG 4.32Å; L126-Q268 HydrophobicContact CD2-CG 4.46Å; A264-Q268 WeakPolarHBondContact O-CB 3.45Å; A264-Q268 WeakPolarHBondContact O-CG 3.43Å; A264-Q268 PolarHBondContact O-N 2.67Å; Q268-Y270 PolarHBondContact O-N 3.41Å; Q268-F271 WeakPolarHBondContact O-CB 3.39Å; Q268-F271 PolarHBondContact O-N 3.17Å; Q268-F272 WeakPolarHBondContact O-CD2 3.44Å; Q268-F272 PolarHBondContact O-N 2.9Å
269Y95.6Very high94.2Very high29 Ų2951 Ų5111%0.11425%0.245CC..Hα-helixtrans-55-52.4171.3164.2-96.7000110.8R265 A266 F271 F272 A273 E639 D642 F660 I704R265-Y269 VanDerWaalsContact O-CB 3.3Å; R265-Y269 WeakPolarHBondContact O-CB 3.45Å; R265-Y269 PolarHBondContact O-N 3.15Å; A266-Y269 PolarHBondContact O-N 2.99Å; Y269-F271 VanDerWaalsContact C-N 3.29Å; Y269-F271 PolarHBondContact O-N 3.35Å; Y269-F272 PolarHBondContact O-N 3.07Å; Y269-A273 HydrophobicContact CE1-CB 4.21Å; Y269-A273 PolarHBondContact O-N 2.83Å; Y269-E639 HydrophobicContact CE2-CG 4.24Å; Y269-D642 HydrophobicContact CE1-CB 4.14Å; Y269-D642 WeakPolarHBondContact CE1-OD2 3.28Å; Y269-D642 PolarHBondContact OH-OD2 3.14Å; Y269-F660 HydrophobicContact CD1-CB 3.76Å; Y269-F660 AromaticContact CD1-CD2 3.37Å; Y269-F660 HydrophobicContact CD1-CD2 3.37Å; Y269-F660 HydrophobicContact CD1-CE2 4.13Å; Y269-F660 AromaticContact CD1-CG 3.66Å; Y269-F660 HydrophobicContact CD1-CG 3.66Å; Y269-F660 AromaticContact CD2-CD2 3.71Å; Y269-F660 HydrophobicContact CD2-CD2 3.71Å; Y269-F660 HydrophobicContact CD2-CE2 4.19Å; Y269-F660 HydrophobicContact CE1-CB 3.51Å; Y269-F660 AromaticContact CE1-CD2 3.86Å; Y269-F660 HydrophobicContact CE1-CD2 3.86Å; Y269-F660 AromaticContact CE1-CG 3.96Å; Y269-F660 HydrophobicContact CE1-CG 3.96Å; Y269-F660 HydrophobicContact CE2-CD2 4.14Å; Y269-F660 HydrophobicContact CG-CB 4.5Å; Y269-F660 AromaticContact CG-CD2 3.28Å; Y269-F660 HydrophobicContact CG-CD2 3.28Å; Y269-F660 AromaticContact CG-CE2 3.69Å; Y269-F660 HydrophobicContact CG-CE2 3.69Å; Y269-F660 HydrophobicContact CG-CG 4.07Å; Y269-I704 HydrophobicContact CD2-CG2 4.35Å; Y269-I704 HydrophobicContact CE2-CD1 4.04Å; Y269-I704 HydrophobicContact CE2-CG2 4.03Å; Y269-I704 WeakPolarHBondContact OH-CD1 3.42Å
270Y96.4Very high94.3Very high10 Ų1049.3 Ų49.34%0.03924%0.237CC..Hα-helixtrans-59.8-39.4-178.9176.8-102.2000112.3A266 L267 Q268 F272 A273 Q274 V643 V646 L647A266-Y270 WeakPolarHBondContact O-CB 3.41Å; A266-Y270 PolarHBondContact O-N 3.44Å; L267-Y270 PolarHBondContact O-N 3.49Å; Q268-Y270 PolarHBondContact O-N 3.41Å; Y270-F272 VanDerWaalsContact C-N 3.27Å; Y270-F272 PolarHBondContact O-N 3.41Å; Y270-A273 PolarHBondContact O-N 2.92Å; Y270-Q274 WeakPolarHBondContact O-CB 3.41Å; Y270-Q274 PolarHBondContact O-N 2.94Å; Y270-V643 HydrophobicContact CE2-CG2 4.24Å; Y270-V646 HydrophobicContact CD2-CB 4.13Å; Y270-V646 HydrophobicContact CD2-CG1 4.11Å; Y270-V646 HydrophobicContact CD2-CG2 3.85Å; Y270-V646 HydrophobicContact CE1-CG1 4.06Å; Y270-V646 HydrophobicContact CE2-CB 3.47Å; Y270-V646 VanDerWaalsContact CE2-CB 3.47Å; Y270-V646 HydrophobicContact CE2-CG1 3.36Å; Y270-V646 HydrophobicContact CE2-CG2 3.74Å; Y270-V646 WeakPolarHBondContact OH-CG1 3.36Å; Y270-L647 WeakPolarHBondContact OH-CD2 3.4Å; Y270-L647 WeakPolarHBondContact OH-CG 3.48Å
271F94.4Very high94.4Very high55 Ų5546.2 Ų46.224%0.24122%0.219CC..Hα-helixtrans-57.7-38.3174.9174.9-87.3000112.9I63 L126 L267 Q268 Y269 R275I63-F271 HydrophobicContact CD1-CD1 4.21Å; I63-F271 HydrophobicContact CD1-CE1 3.58Å; I63-F271 HydrophobicContact CD1-CE2 4.24Å; I63-F271 HydrophobicContact CD1-CZ 3.57Å; L126-F271 HydrophobicContact CD2-CB 3.88Å; L126-F271 HydrophobicContact CD2-CD2 3.79Å; L126-F271 HydrophobicContact CD2-CE2 4.39Å; L126-F271 HydrophobicContact CD2-CG 3.84Å; L267-F271 WeakPolarHBondContact O-CB 3.48Å; L267-F271 PolarHBondContact O-N 3.3Å; Q268-F271 WeakPolarHBondContact O-CB 3.39Å; Q268-F271 PolarHBondContact O-N 3.17Å; Y269-F271 VanDerWaalsContact C-N 3.29Å; Y269-F271 PolarHBondContact O-N 3.35Å; F271-R275 VanDerWaalsContact CE1-CZ 3.44Å; F271-R275 VanDerWaalsContact CE1-NH1 3.28Å; F271-R275 VanDerWaalsContact CG-NH1 3.32Å; F271-R275 PolarHBondContact O-NH1 2.97Å
272F94.1Very high94.2Very high86 Ų8646 Ų4638%0.37722%0.217SC..Hα-helixtrans-78.6-40.2174.7-70.2-63.7000112.3I63 R64 Q268 Y269 Y270 Q274 R275 A276I63-F272 HydrophobicContact CB-CZ 4.07Å; I63-F272 HydrophobicContact CG2-CE2 3.76Å; I63-F272 HydrophobicContact CG2-CZ 3.74Å; R64-F272 HydrophobicContact CG-CZ 4.32Å; Q268-F272 WeakPolarHBondContact O-CD2 3.44Å; Q268-F272 PolarHBondContact O-N 2.9Å; Y269-F272 PolarHBondContact O-N 3.07Å; Y270-F272 VanDerWaalsContact C-N 3.27Å; Y270-F272 PolarHBondContact O-N 3.41Å; F272-Q274 VanDerWaalsContact C-N 3.33Å; F272-Q274 PolarHBondContact O-N 3.49Å; F272-R275 WeakPolarHBondContact O-CB 3.23Å; F272-R275 PolarHBondContact O-N 3.35Å; F272-A276 WeakPolarHBondContact O-CB 3.46Å; F272-A276 PolarHBondContact O-N 3.27Å
273A95.8Very high93.8Very high1 Ų149.1 Ų49.11%0.00824%0.241CC..Hα-helixtrans-55.8-47.3176.300000111.4Y269 Y270 R275 A276 V277 E639 V643Y269-A273 HydrophobicContact CE1-CB 4.21Å; Y269-A273 PolarHBondContact O-N 2.83Å; Y270-A273 PolarHBondContact O-N 2.92Å; A273-R275 PolarHBondContact O-N 2.91Å; A273-R275 VanDerWaalsContact O-N 3.14Å; A273-A276 WeakPolarHBondContact O-CB 3.27Å; A273-A276 PolarHBondContact O-N 3Å; A273-V277 PolarHBondContact O-N 2.98Å; A273-V277 VanDerWaalsContact O-N 3.14Å; A273-E639 HydrophobicContact CB-CB 3.83Å; A273-E639 HydrophobicContact CB-CG 4.12Å; A273-V643 HydrophobicContact CB-CG2 3.99Å
274Q94.4Very high93Very high57 Ų5750.9 Ų50.927%0.26625%0.251SS..Hα-helixtrans-61.5-24.8177.1-165.5-178.524.300113.7Y270 F272 V277 V465 V643Y270-Q274 WeakPolarHBondContact O-CB 3.41Å; Y270-Q274 PolarHBondContact O-N 2.94Å; F272-Q274 VanDerWaalsContact C-N 3.33Å; F272-Q274 PolarHBondContact O-N 3.49Å; Q274-V277 VanDerWaalsContact O-CG2 3.22Å; Q274-V277 WeakPolarHBondContact O-CG2 3.45Å; Q274-V465 HydrophobicContact CG-CG1 4.12Å; Q274-V465 HydrophobicContact CG-CG2 4.23Å; Q274-V643 HydrophobicContact CB-CG2 4.35Å
275R91.6Very high92.5Very high125 Ų12553.3 Ų53.347%0.47228%0.277SS..Hα-helixtrans-85.6-35.2172.7-72.6172.5173.269.91.8111.6F271 F272 A273 V277 S278F271-R275 VanDerWaalsContact CE1-CZ 3.44Å; F271-R275 VanDerWaalsContact CE1-NH1 3.28Å; F271-R275 VanDerWaalsContact CG-NH1 3.32Å; F271-R275 PolarHBondContact O-NH1 2.97Å; F272-R275 WeakPolarHBondContact O-CB 3.23Å; F272-R275 PolarHBondContact O-N 3.35Å; A273-R275 PolarHBondContact O-N 2.91Å; A273-R275 VanDerWaalsContact O-N 3.14Å; R275-V277 VanDerWaalsContact C-N 3.3Å; R275-V277 PolarHBondContact O-N 3.37Å; R275-S278 WeakPolarHBondContact O-CB 3.19Å; R275-S278 PolarHBondContact O-N 3.09Å; R275-S278 PolarHBondContact O-OG 3.32Å
276A92.4Very high92.4Very high32 Ų3246.2 Ų46.226%0.26425%0.251SS..Hα-helixtrans-61.6-3718000000111.9F272 A273 S278 R279F272-A276 WeakPolarHBondContact O-CB 3.46Å; F272-A276 PolarHBondContact O-N 3.27Å; A273-A276 WeakPolarHBondContact O-CB 3.27Å; A273-A276 PolarHBondContact O-N 3Å; A276-S278 PolarHBondContact O-N 3.33Å; A276-S278 VanDerWaalsContact O-N 3.1Å; A276-R279 WeakPolarHBondContact O-CA 3.44Å; A276-R279 WeakPolarHBondContact O-CB 3.45Å; A276-R279 PolarHBondContact O-N 2.9Å
277V93.3Very high92.3Very high4 Ų451.8 Ų51.82%0.02427%0.272CS..THydrogen-bonded Turntrans-61-22.3178.4-60.60000114.1A273 Q274 R275 R279 V465 V467 V643A273-V277 PolarHBondContact O-N 2.98Å; A273-V277 VanDerWaalsContact O-N 3.14Å; Q274-V277 VanDerWaalsContact O-CG2 3.22Å; Q274-V277 WeakPolarHBondContact O-CG2 3.45Å; R275-V277 VanDerWaalsContact C-N 3.3Å; R275-V277 PolarHBondContact O-N 3.37Å; V277-R279 PolarHBondContact O-N 3.23Å; V277-V465 HydrophobicContact CG2-CG1 3.74Å; V277-V467 HydrophobicContact CB-CG2 4.13Å; V277-V467 HydrophobicContact CG1-CG1 4.46Å; V277-V467 HydrophobicContact CG1-CG2 4.01Å; V277-V467 HydrophobicContact CG2-CG2 4.47Å; V277-V643 HydrophobicContact CG1-CB 3.88Å; V277-V643 HydrophobicContact CG1-CG1 4.1Å; V277-V643 HydrophobicContact CG1-CG2 3.76Å; V277-V643 HydrophobicContact CG2-CG1 4.33Å
278S90.9Very high92.2Very high70 Ų7056.6 Ų56.649%0.4929%0.289SS..THydrogen-bonded Turntrans-70-18.5173.271.70000113.1R275 A276 W280R275-S278 WeakPolarHBondContact O-CB 3.19Å; R275-S278 PolarHBondContact O-N 3.09Å; R275-S278 PolarHBondContact O-OG 3.32Å; A276-S278 PolarHBondContact O-N 3.33Å; A276-S278 VanDerWaalsContact O-N 3.1Å; S278-W280 VanDerWaalsContact C-N 3.29Å; S278-W280 PolarHBondContact O-N 3.34Å
279R92.8Very high92.1Very high172 Ų17259.3 Ų59.365%0.64930%0.304SS*.SBendtrans-95.652.2175.5-60.5-179.8177.5176.5-2.3110.7A276 V277 W288A276-R279 WeakPolarHBondContact O-CA 3.44Å; A276-R279 WeakPolarHBondContact O-CB 3.45Å; A276-R279 PolarHBondContact O-N 2.9Å; V277-R279 PolarHBondContact O-N 3.23Å; R279-W288 HydrophobicContact CB-CD2 4.4Å; R279-W288 HydrophobicContact CB-CG 4.24Å; R279-W288 HydrophobicContact CG-CD2 4.31Å; R279-W288 HydrophobicContact CG-CZ2 4.13Å
280W94.3Very high92.1Very high18 Ų1862.7 Ų62.77%0.06833%0.328CS..  trans-67.4154.8-175.861.5-88.9000112.8S278 T282 A286 W288 V452 A453 M456 A468S278-W280 VanDerWaalsContact C-N 3.29Å; S278-W280 PolarHBondContact O-N 3.34Å; W280-T282 HydrophobicContact CE3-CG2 4.07Å; W280-T282 HydrophobicContact CZ3-CG2 3.93Å; W280-A286 HydrophobicContact CH2-CB 4.32Å; W280-A286 HydrophobicContact CZ3-CB 3.92Å; W280-W288 HydrophobicContact CD2-CB 4.26Å; W280-W288 HydrophobicContact CG-CB 4.13Å; W280-W288 PolarHBondContact O-N 2.88Å; W280-V452 HydrophobicContact CD2-CG1 4.46Å; W280-V452 HydrophobicContact CE3-CG1 3.95Å; W280-V452 HydrophobicContact CH2-CB 4.11Å; W280-V452 HydrophobicContact CH2-CG1 3.79Å; W280-V452 HydrophobicContact CZ2-CG1 4.31Å; W280-V452 HydrophobicContact CZ3-CB 4.24Å; W280-V452 HydrophobicContact CZ3-CG1 3.6Å; W280-A453 HydrophobicContact CH2-CB 4.28Å; W280-A453 HydrophobicContact CZ2-CB 3.81Å; W280-M456 HydrophobicContact CB-CE 3.95Å; W280-M456 VanDerWaalsContact CD1-CE 3.46Å; W280-M456 HydrophobicContact CD2-CG 4.34Å; W280-M456 HydrophobicContact CG-CE 3.77Å; W280-M456 HydrophobicContact CG-CG 4.29Å; W280-A468 HydrophobicContact CB-CB 3.87Å; W280-A468 HydrophobicContact CE3-CB 4.4Å; W280-A468 HydrophobicContact CG-CB 4.34Å
281S93.3Very high92.1Very high42 Ų4262.7 Ų62.729%0.29433%0.329SS..BIsolated β-bridgetrans-146.8148.1171.556.90000109.6A286S281-A286 CarbonylContact C-O 3.57Å; S281-A286 VanDerWaalsContact CA-O 3.31Å; S281-A286 WeakPolarHBondContact CA-O 3.2Å
282T90.8Very high92.1Very high13 Ų1368.4 Ų68.48%0.0835%0.354CS..  trans-111.1161.6179610000111.4W280 N284 G285 A286 Y443 V452W280-T282 HydrophobicContact CE3-CG2 4.07Å; W280-T282 HydrophobicContact CZ3-CG2 3.93Å; T282-N284 WeakPolarHBondContact CB-OD1 3.47Å; T282-N284 PolarHBondContact O-N 3.01Å; T282-N284 PolarHBondContact OG1-OD1 3.08Å; T282-G285 PolarHBondContact O-N 3.16Å; T282-G285 VanDerWaalsContact O-N 3.11Å; T282-A286 HydrophobicContact CG2-CB 4.21Å; T282-A286 PolarHBondContact N-O 3.21Å; T282-A286 WeakPolarHBondContact OG1-CA 3.42Å; T282-A286 WeakPolarHBondContact OG1-CB 3.32Å; T282-A286 PolarHBondContact OG1-N 3.47Å; T282-A286 PolarHBondContact OG1-O 3.31Å; T282-Y443 WeakPolarHBondContact CA-OH 3.44Å; T282-Y443 HydrophobicContact CG2-CD1 3.6Å; T282-Y443 HydrophobicContact CG2-CD2 3.95Å; T282-Y443 HydrophobicContact CG2-CE1 3.58Å; T282-Y443 HydrophobicContact CG2-CE2 3.94Å; T282-Y443 HydrophobicContact CG2-CG 3.79Å; T282-V452 HydrophobicContact CG2-CG1 4.35Å
283A84.7Confident92.2Very high88 Ų8866.7 Ų66.773%0.72735%0.351SS*.THydrogen-bonded Turntrans-61.2-28.2175.400000113.5G285 Y443A283-G285 PolarHBondContact O-N 2.95Å; A283-Y443 HydrophobicContact CB-CE2 4.48Å; A283-Y443 PolarHBondContact N-OH 3.27Å; A283-Y443 VanDerWaalsContact N-OH 3.14Å
284N79.4Confident92.1Very high72 Ų7269.5 Ų69.539%0.38536%0.362SS..THydrogen-bonded Turntrans-84.110176.969.90.4000114T282 S447T282-N284 WeakPolarHBondContact CB-OD1 3.47Å; T282-N284 PolarHBondContact O-N 3.01Å; T282-N284 PolarHBondContact OG1-OD1 3.08Å; N284-S447 PolarHBondContact ND2-O 3.46Å
285G85.3Confident92.2Very high52 Ų5271.6 Ų71.654%0.53638%0.38SS..SBendtrans87.30.6173.300000115.5T282 A283T282-G285 PolarHBondContact O-N 3.16Å; T282-G285 VanDerWaalsContact O-N 3.11Å; A283-G285 PolarHBondContact O-N 2.95Å
286A91.9Very high92.4Very high4 Ų466 Ų663%0.03336%0.36CS..  trans-67.7139.1171.700000110.6W280 S281 T282 P449W280-A286 HydrophobicContact CH2-CB 4.32Å; W280-A286 HydrophobicContact CZ3-CB 3.92Å; S281-A286 CarbonylContact C-O 3.57Å; S281-A286 VanDerWaalsContact CA-O 3.31Å; S281-A286 WeakPolarHBondContact CA-O 3.2Å; T282-A286 HydrophobicContact CG2-CB 4.21Å; T282-A286 PolarHBondContact N-O 3.21Å; T282-A286 WeakPolarHBondContact OG1-CA 3.42Å; T282-A286 WeakPolarHBondContact OG1-CB 3.32Å; T282-A286 PolarHBondContact OG1-N 3.47Å; T282-A286 PolarHBondContact OG1-O 3.31Å; A286-P449 HydrophobicContact CB-CB 3.7Å; A286-P449 HydrophobicContact CB-CG 3.82Å
287R94.5Very high92.4Very high117 Ų11774 Ų7444%0.44238%0.384SS..BIsolated β-bridgetrans-142.6153-175.5-66.3168.949.6150.90.6112.4D289 T290 S291R287-D289 WeakPolarHBondContact CB-OD1 3.17Å; R287-D289 IonicContact CZ-OD1 2.92Å; R287-D289 IonicContact CZ-OD2 3.54Å; R287-D289 IonicContact NE-OD1 2.62Å; R287-D289 PolarHBondContact NE-OD1 3.26Å; R287-D289 IonicContact NE-OD2 3.14Å; R287-D289 IonicContact NH2-OD1 3.32Å; R287-D289 IonicContact NH2-OD2 3.64Å; R287-D289 PolarHBondContact NH2-OD2 3.08Å; R287-D289 PolarHBondContact O-N 2.89Å; R287-T290 PolarHBondContact O-N 3.08Å; R287-S291 PolarHBondContact N-OG 3.27Å; R287-S291 WeakPolarHBondContact O-CB 3.47Å; R287-S291 PolarHBondContact O-N 3.28Å; R287-S291 PolarHBondContact O-OG 2.75Å
288W94.7Very high92.6Very high120 Ų12076.6 Ų76.646%0.45540%0.395SS..THydrogen-bonded Turntrans-57.7-29.418074.7-83.6000115.1R279 W280R279-W288 HydrophobicContact CB-CD2 4.4Å; R279-W288 HydrophobicContact CB-CG 4.24Å; R279-W288 HydrophobicContact CG-CD2 4.31Å; R279-W288 HydrophobicContact CG-CZ2 4.13Å; W280-W288 HydrophobicContact CD2-CB 4.26Å; W280-W288 HydrophobicContact CG-CB 4.13Å; W280-W288 PolarHBondContact O-N 2.88Å
289D93.6Very high92.9Very high79 Ų7973.3 Ų73.342%0.42237%0.371SS..THydrogen-bonded Turntrans-90.8-24.2-174.852.7-9000113.6R287R287-D289 WeakPolarHBondContact CB-OD1 3.17Å; R287-D289 IonicContact CZ-OD1 2.92Å; R287-D289 IonicContact CZ-OD2 3.54Å; R287-D289 IonicContact NE-OD1 2.62Å; R287-D289 PolarHBondContact NE-OD1 3.26Å; R287-D289 IonicContact NE-OD2 3.14Å; R287-D289 IonicContact NH2-OD1 3.32Å; R287-D289 IonicContact NH2-OD2 3.64Å; R287-D289 PolarHBondContact NH2-OD2 3.08Å; R287-D289 PolarHBondContact O-N 2.89Å
290T95.8Very high93.2Very high99 Ų9965.1 Ų65.161%0.60734%0.34SS*.THydrogen-bonded Turntrans-104.9-18.4179.957.80000113.5R287R287-T290 PolarHBondContact O-N 3.08Å
291S95.6Very high93.4Very high11 Ų1164.2 Ų64.28%0.07734%0.337CS..PPolyproline II helixtrans-93.7119.9-177.6-46.30000110.9R287 P449R287-S291 PolarHBondContact N-OG 3.27Å; R287-S291 WeakPolarHBondContact O-CB 3.47Å; R287-S291 PolarHBondContact O-N 3.28Å; R287-S291 PolarHBondContact O-OG 2.75Å; S291-P449 WeakPolarHBondContact CB-O 3.41Å; S291-P449 WeakPolarHBondContact OG-CB 3.33Å
292K95.6Very high93.6Very high174 Ų17462.7 Ų62.776%0.75733%0.326SS*.PPolyproline II helixtrans-91.6122.6179.6-66.6-176.8-177.7176.50110
293P96Very high93.9Very high50 Ų5062.4 Ų62.433%0.32533%0.325SS..PPolyproline II helixtrans-73.2148.7173.330.6-34000110.2A453 T454 Q457P293-A453 HydrophobicContact CB-CB 4.16Å; P293-T454 WeakPolarHBondContact CA-OG1 3.28Å; P293-Q457 HydrophobicContact CB-CB 4.03Å; P293-Q457 HydrophobicContact CG-CB 4.38Å; P293-Q457 VanDerWaalsContact CG-NE2 3.26Å
294R94.4Very high94.5Very high60 Ų6058.2 Ų58.223%0.22629%0.29CS..PPolyproline II helixtrans-93.2152.2172.860.1-167.2-79.6-162.5-1.9112.6V296 G399 L401 E450 T454R294-V296 PolarHBondContact O-N 2.92Å; R294-G399 PolarHBondContact NH1-O 2.92Å; R294-G399 PolarHBondContact NH2-O 2.81Å; R294-L401 HydrophobicContact CG-CD1 4.42Å; R294-E450 HydrophobicContact CB-CG 4.4Å; R294-E450 WeakPolarHBondContact CD-OE2 3.38Å; R294-E450 HydrophobicContact CG-CG 4.24Å; R294-E450 IonicContact NH1-OE2 3.24Å; R294-T454 HydrophobicContact CG-CG2 3.96Å; R294-T454 WeakPolarHBondContact CG-OG1 3.42Å; R294-T454 PolarHBondContact N-OG1 2.81Å
295P94.8Very high95.1Very high101 Ų10156.5 Ų56.566%0.65629%0.289SS*.PPolyproline II helixtrans-64.6128.2177.3-20.733.1000111.8
296V96Very high95.4Very high8 Ų859.5 Ų59.55%0.04830%0.297CS..  trans-111.7121.9168.2176.90000107.9R294 F320 D372 L373 T454 M458R294-V296 PolarHBondContact O-N 2.92Å; V296-F320 HydrophobicContact CB-CE1 4.35Å; V296-F320 HydrophobicContact CG1-CD1 4.35Å; V296-F320 HydrophobicContact CG1-CE1 4.26Å; V296-F320 WeakPolarHBondContact O-CE1 3.39Å; V296-D372 HydrophobicContact CG1-CB 4.23Å; V296-L373 HydrophobicContact CG1-CB 4.16Å; V296-L373 HydrophobicContact CG2-CB 4.47Å; V296-T454 HydrophobicContact CG2-CG2 3.6Å; V296-M458 HydrophobicContact CB-SD 4.14Å; V296-M458 HydrophobicContact CG1-SD 3.82Å; V296-M458 HydrophobicContact CG2-CG 4.46Å; V296-M458 HydrophobicContact CG2-SD 4.16Å
297R92.6Very high95.5Very high201 Ų20161.1 Ų61.176%0.75831%0.305SS*.  trans-110.7-40.3176.5-64.7-177.7179-174.20.4111.2S321 D372R297-S321 PolarHBondContact O-N 2.97Å; R297-S321 VanDerWaalsContact O-N 3.11Å; R297-D372 PolarHBondContact N-OD2 3.42Å
298K96.9Very high95.7Very high58 Ų5855.5 Ų55.525%0.25228%0.284SS..EExtended strand (participates in β ladder)trans-122.3121.3-177.3-168.9173.2166.3-154.70110.4S321 D370 V371 D372K298-S321 CarbonylContact C-O 3.12Å; K298-S321 VanDerWaalsContact CA-O 3.31Å; K298-S321 WeakPolarHBondContact CA-O 3.31Å; K298-D370 VanDerWaalsContact CD-O 3.29Å; K298-D370 WeakPolarHBondContact CD-O 3.45Å; K298-D370 WeakPolarHBondContact CE-O 3.38Å; K298-D370 PolarHBondContact NZ-O 3.19Å; K298-D370 IonicContact NZ-OD2 3.88Å; K298-V371 HydrophobicContact CD-CG1 4.25Å; K298-V371 HydrophobicContact CG-CB 4.41Å; K298-V371 HydrophobicContact CG-CG1 4.04Å; K298-D372 PolarHBondContact N-OD2 3.08Å; K298-D372 PolarHBondContact O-N 3.47Å
299A98Very high95.8Very high0 Ų052.2 Ų52.20%027%0.271CS..EExtended strand (participates in β ladder)trans-116.5151.3179.500000110.5L315 S321 V322 V323 L373A299-L315 HydrophobicContact CB-CD1 4.03Å; A299-L315 HydrophobicContact CB-CD2 4.2Å; A299-S321 PolarHBondContact N-O 3.11Å; A299-V322 CarbonylContact O-C 3.43Å; A299-V322 VanDerWaalsContact O-CA 3.26Å; A299-V322 WeakPolarHBondContact O-CA 3.22Å; A299-V323 PolarHBondContact O-N 3.5Å; A299-L373 CarbonylContact C-O 3.5Å; A299-L373 VanDerWaalsContact CA-O 3.26Å; A299-L373 WeakPolarHBondContact CA-O 3.25Å; A299-L373 HydrophobicContact CB-CD2 4.44Å
300A98.4Very high95.9Very high0 Ų048.5 Ų48.50%025%0.251CS..EExtended strand (participates in β ladder)trans-115.8152.4171.300000111.9V323 V368 V371 L373 V374 I375A300-V323 CarbonylContact C-O 3.59Å; A300-V323 WeakPolarHBondContact CA-O 3.47Å; A300-V323 HydrophobicContact CB-CB 4.22Å; A300-V368 HydrophobicContact CB-CB 4.09Å; A300-V368 HydrophobicContact CB-CG1 3.48Å; A300-V368 VanDerWaalsContact CB-CG1 3.48Å; A300-V371 HydrophobicContact CB-CB 4.47Å; A300-V371 HydrophobicContact CB-CG1 4.18Å; A300-V371 HydrophobicContact CB-CG2 4.04Å; A300-L373 PolarHBondContact N-O 3.42Å; A300-V374 HydrophobicContact CB-CG1 4.31Å; A300-V374 HydrophobicContact CB-CG2 4.24Å; A300-V374 CarbonylContact O-C 3.43Å; A300-I375 PolarHBondContact O-N 2.9Å
301V98.6Very high96.1Very high0 Ų043.8 Ų43.80%022%0.222CC..EExtended strand (participates in β ladder)trans-124.1123.2169.4-176.10000108.3L304 I311 L315 V322 V323 V325 I375V301-L304 HydrophobicContact CB-CD2 4.46Å; V301-L304 HydrophobicContact CG1-CD2 4.17Å; V301-I311 HydrophobicContact CG1-CG2 4.47Å; V301-I311 HydrophobicContact CG2-CG2 3.85Å; V301-L315 HydrophobicContact CG2-CD1 3.69Å; V301-V322 HydrophobicContact CG2-CG1 4.33Å; V301-V323 PolarHBondContact N-O 3.11Å; V301-V325 PolarHBondContact O-N 2.99Å; V301-I375 VanDerWaalsContact CA-O 3.32Å; V301-I375 WeakPolarHBondContact CA-O 3.32Å
302I98.3Very high96.2Very high10 Ų1043.2 Ų43.25%0.05122%0.219CC..EExtended strand (participates in β ladder)trans-104123.3178.4-52.7-60.8000109.3V325 V368 V374 I375 A377 V378 V388 L392I302-V325 HydrophobicContact CD1-CB 3.79Å; I302-V325 HydrophobicContact CD1-CG1 4.32Å; I302-V325 HydrophobicContact CD1-CG2 3.95Å; I302-V368 HydrophobicContact CD1-CG1 3.78Å; I302-V374 HydrophobicContact CD1-CG1 4.28Å; I302-V374 HydrophobicContact CG1-CG1 3.56Å; I302-I375 PolarHBondContact N-O 3.33Å; I302-A377 CarbonylContact O-C 3.53Å; I302-A377 WeakPolarHBondContact O-CA 3.32Å; I302-A377 PolarHBondContact O-N 3.43Å; I302-V378 HydrophobicContact CG2-CG1 3.87Å; I302-V388 HydrophobicContact CG2-CG1 4.35Å; I302-L392 HydrophobicContact CD1-CD2 4.27Å; I302-L392 HydrophobicContact CG1-CD1 4.4Å; I302-L392 HydrophobicContact CG1-CD2 4.19Å
303G97Very high96.2Very high6 Ų635 Ų356%0.06218%0.183CC..  trans87.4114.5-175.600000110.9G308 V325G303-G308 WeakPolarHBondContact O-CA 3.37Å; G303-V325 PolarHBondContact N-O 3.37Å
304L96.8Very high96.2Very high1 Ų132.8 Ų32.81%0.00517%0.169CC..  trans-111.143.4-175.3-56.7178.6000112.2V301 R309 A324 E326 L332 A335 Y361V301-L304 HydrophobicContact CB-CD2 4.46Å; V301-L304 HydrophobicContact CG1-CD2 4.17Å; L304-R309 WeakPolarHBondContact O-CG 3.33Å; L304-R309 PolarHBondContact O-NE 2.98Å; L304-A324 HydrophobicContact CD1-CB 3.9Å; L304-A324 HydrophobicContact CD2-CB 3.95Å; L304-E326 HydrophobicContact CB-CB 3.98Å; L304-E326 HydrophobicContact CD1-CB 3.84Å; L304-E326 HydrophobicContact CG-CB 3.89Å; L304-E326 PolarHBondContact N-OE2 2.86Å; L304-L332 HydrophobicContact CD1-CD1 3.58Å; L304-A335 HydrophobicContact CB-CB 3.58Å; L304-A335 HydrophobicContact CD1-CB 3.98Å; L304-A335 HydrophobicContact CG-CB 4.44Å; L304-Y361 HydrophobicContact CD1-CD1 4.28Å; L304-Y361 HydrophobicContact CD1-CE1 4.49Å
305G93Very high96.3Very high35 Ų3530 Ų3036%0.36116%0.158SC..SBendtrans-69.5-164.4162.700000112.4M307 G308 R309G305-M307 VanDerWaalsContact C-N 3.31Å; G305-M307 PolarHBondContact O-N 3.31Å; G305-G308 PolarHBondContact O-N 3.07Å; G305-R309 WeakPolarHBondContact O-CB 3.33Å; G305-R309 WeakPolarHBondContact O-CD 3.37Å; G305-R309 WeakPolarHBondContact O-CG 3.42Å; G305-R309 PolarHBondContact O-N 3.47Å
306T91.1Very high96.3Very high115 Ų11525.2 Ų25.271%0.70613%0.127SC*.Hα-helixtrans-53.7-44.6-177.8-54.40000113.2G310T306-G310 PolarHBondContact O-N 2.96Å
307M94.6Very high96.1Very high38 Ų3827.6 Ų27.619%0.18714%0.138CC..Hα-helixtrans-71.8-52.1-179.7-68.4-57.2-7500112G305 R309 G310 I311 F429 A431 A433G305-M307 VanDerWaalsContact C-N 3.31Å; G305-M307 PolarHBondContact O-N 3.31Å; M307-R309 VanDerWaalsContact C-N 3.28Å; M307-R309 PolarHBondContact O-N 3.25Å; M307-G310 PolarHBondContact O-N 3.47Å; M307-I311 WeakPolarHBondContact O-CG1 3.36Å; M307-I311 PolarHBondContact O-N 3.45Å; M307-F429 VanDerWaalsContact CE-C 3.49Å; M307-F429 HydrophobicContact CE-CB 3.62Å; M307-F429 WeakPolarHBondContact CE-O 3.4Å; M307-A431 HydrophobicContact SD-CB 3.69Å; M307-A433 HydrophobicContact CE-CB 4.07Å; M307-A433 HydrophobicContact SD-CB 4.4Å
308G97.3Very high96Very high0 Ų019.6 Ų19.60%012%0.115CC..Hα-helixtrans-56.9-38.2-179.600000113.8G303 G305 I311 T312G303-G308 WeakPolarHBondContact O-CA 3.37Å; G305-G308 PolarHBondContact O-N 3.07Å; G308-I311 PolarHBondContact O-N 3.37Å; G308-T312 WeakPolarHBondContact O-CB 3.32Å; G308-T312 PolarHBondContact O-N 2.73Å; G308-T312 PolarHBondContact O-OG1 3.21Å
309R97.4Very high95.8Very high50 Ų5019.1 Ų19.119%0.18913%0.127CC..Hα-helixtrans-59.2-48.1172.5-68.6166.2-167.5-171.4-1111.5L304 G305 M307 T312 V313 A335 V339L304-R309 WeakPolarHBondContact O-CG 3.33Å; L304-R309 PolarHBondContact O-NE 2.98Å; G305-R309 WeakPolarHBondContact O-CB 3.33Å; G305-R309 WeakPolarHBondContact O-CD 3.37Å; G305-R309 WeakPolarHBondContact O-CG 3.42Å; G305-R309 PolarHBondContact O-N 3.47Å; M307-R309 VanDerWaalsContact C-N 3.28Å; M307-R309 PolarHBondContact O-N 3.25Å; R309-T312 PolarHBondContact O-N 3.1Å; R309-V313 VanDerWaalsContact O-CG2 3.31Å; R309-V313 WeakPolarHBondContact O-CG2 3.32Å; R309-V313 PolarHBondContact O-N 3.3Å; R309-V313 VanDerWaalsContact O-N 3.08Å; R309-A335 HydrophobicContact CG-CB 4.09Å; R309-V339 HydrophobicContact CB-CG2 3.97Å; R309-V339 HydrophobicContact CG-CG2 4.12Å
310G96.8Very high95.6Very high1 Ų119.6 Ų19.61%0.0113%0.129CC..Hα-helixtrans-68.4-35.2179.500000114T306 M307 S314T306-G310 PolarHBondContact O-N 2.96Å; M307-G310 PolarHBondContact O-N 3.47Å; G310-S314 PolarHBondContact O-N 3.08Å; G310-S314 PolarHBondContact O-OG 3.12Å
311I98.3Very high95.5Very high0 Ų022.1 Ų22.10%015%0.146CC..Hα-helixtrans-66.7-45.7174.9-65.1166.2000110V301 M307 G308 V313 S314 L315 I375 A377 N405 F429 A433V301-I311 HydrophobicContact CG1-CG2 4.47Å; V301-I311 HydrophobicContact CG2-CG2 3.85Å; M307-I311 WeakPolarHBondContact O-CG1 3.36Å; M307-I311 PolarHBondContact O-N 3.45Å; G308-I311 PolarHBondContact O-N 3.37Å; I311-V313 VanDerWaalsContact C-N 3.33Å; I311-V313 PolarHBondContact O-N 3.01Å; I311-S314 WeakPolarHBondContact O-CB 3.5Å; I311-S314 PolarHBondContact O-N 3.12Å; I311-S314 VanDerWaalsContact O-N 3.07Å; I311-L315 HydrophobicContact CG2-CD1 4.09Å; I311-L315 PolarHBondContact O-N 2.8Å; I311-I375 HydrophobicContact CD1-CG2 4.2Å; I311-I375 HydrophobicContact CG2-CB 4.45Å; I311-I375 HydrophobicContact CG2-CD1 3.81Å; I311-I375 HydrophobicContact CG2-CG2 4.26Å; I311-A377 HydrophobicContact CD1-CB 4.23Å; I311-N405 HydrophobicContact CD1-CB 4.25Å; I311-F429 HydrophobicContact CD1-CB 4.42Å; I311-F429 HydrophobicContact CD1-CD2 3.58Å; I311-F429 HydrophobicContact CD1-CE2 3.98Å; I311-F429 HydrophobicContact CD1-CG 4.05Å; I311-F429 HydrophobicContact CG1-CB 4.33Å; I311-F429 HydrophobicContact CG1-CD1 4.1Å; I311-F429 HydrophobicContact CG1-CD2 3.72Å; I311-F429 HydrophobicContact CG1-CE1 4.32Å; I311-F429 HydrophobicContact CG1-CE2 3.97Å; I311-F429 HydrophobicContact CG1-CG 3.8Å; I311-F429 HydrophobicContact CG1-CZ 4.25Å; I311-F429 HydrophobicContact CG2-CE2 4.2Å; I311-F429 HydrophobicContact CG2-CZ 4.14Å; I311-A433 HydrophobicContact CG1-CB 4Å
312T98.1Very high95.5Very high0 Ų022.1 Ų22.10%015%0.146CC..Hα-helixtrans-55.4-47.3175.5-610000111.4G308 R309 S314 L315 A316 V322 A324 V339 I359G308-T312 WeakPolarHBondContact O-CB 3.32Å; G308-T312 PolarHBondContact O-N 2.73Å; G308-T312 PolarHBondContact O-OG1 3.21Å; R309-T312 PolarHBondContact O-N 3.1Å; T312-S314 VanDerWaalsContact C-N 3.34Å; T312-S314 PolarHBondContact O-N 3Å; T312-L315 PolarHBondContact O-N 2.84Å; T312-A316 WeakPolarHBondContact O-CB 3.49Å; T312-A316 PolarHBondContact O-N 3.26Å; T312-V322 HydrophobicContact CG2-CG1 4.11Å; T312-A324 HydrophobicContact CG2-CB 4.1Å; T312-V339 HydrophobicContact CG2-CG1 4.25Å; T312-I359 HydrophobicContact CG2-CD1 3.95Å; T312-I359 HydrophobicContact CG2-CG1 4.44Å; T312-I359 HydrophobicContact CG2-CG2 4.12Å
313V95.9Very high95.5Very high0 Ų021.8 Ų21.80%015%0.145CC..Hα-helixtrans-60.2-43175.9170.50000111.5R309 I311 Q317 V339 M342 L343 H434R309-V313 VanDerWaalsContact O-CG2 3.31Å; R309-V313 WeakPolarHBondContact O-CG2 3.32Å; R309-V313 PolarHBondContact O-N 3.3Å; R309-V313 VanDerWaalsContact O-N 3.08Å; I311-V313 VanDerWaalsContact C-N 3.33Å; I311-V313 PolarHBondContact O-N 3.01Å; V313-Q317 HydrophobicContact CG1-CG 4.37Å; V313-Q317 VanDerWaalsContact CG1-NE2 3.31Å; V313-Q317 WeakPolarHBondContact O-CB 3.47Å; V313-Q317 WeakPolarHBondContact O-CG 3.42Å; V313-Q317 PolarHBondContact O-N 3.28Å; V313-V339 HydrophobicContact CG2-CB 4.36Å; V313-V339 HydrophobicContact CG2-CG1 3.86Å; V313-V339 HydrophobicContact CG2-CG2 4.32Å; V313-M342 HydrophobicContact CG1-CB 4.48Å; V313-M342 HydrophobicContact CG2-CB 3.81Å; V313-M342 HydrophobicContact CG2-SD 4.1Å; V313-L343 HydrophobicContact CG1-CD2 4.11Å; V313-L343 HydrophobicContact CG2-CG 4.46Å; V313-H434 HydrophobicContact CB-CB 4.1Å; V313-H434 HydrophobicContact CG1-CB 3.8Å
314S95.6Very high95.6Very high5 Ų521.5 Ų21.54%0.03514%0.142CC..Hα-helixtrans-64.1-44.2-179.2-58.40000112.1G310 I311 T312 A318 A433 H434G310-S314 PolarHBondContact O-N 3.08Å; G310-S314 PolarHBondContact O-OG 3.12Å; I311-S314 WeakPolarHBondContact O-CB 3.5Å; I311-S314 PolarHBondContact O-N 3.12Å; I311-S314 VanDerWaalsContact O-N 3.07Å; T312-S314 VanDerWaalsContact C-N 3.34Å; T312-S314 PolarHBondContact O-N 3Å; S314-A318 WeakPolarHBondContact O-CB 3.48Å; S314-A318 PolarHBondContact O-N 3.17Å; S314-A433 PolarHBondContact OG-O 2.75Å; S314-H434 WeakPolarHBondContact OG-CA 3.21Å
315L96.5Very high95.6Very high0 Ų021.5 Ų21.50%014%0.142CC..Hα-helixtrans-65-47.2177.6-73167.6000111.7A299 V301 I311 T312 Q317 A318 G319 F320 V322 I375 M462A299-L315 HydrophobicContact CB-CD1 4.03Å; A299-L315 HydrophobicContact CB-CD2 4.2Å; V301-L315 HydrophobicContact CG2-CD1 3.69Å; I311-L315 HydrophobicContact CG2-CD1 4.09Å; I311-L315 PolarHBondContact O-N 2.8Å; T312-L315 PolarHBondContact O-N 2.84Å; L315-Q317 PolarHBondContact O-N 3.06Å; L315-A318 PolarHBondContact O-N 2.95Å; L315-A318 VanDerWaalsContact O-N 3.16Å; L315-G319 PolarHBondContact O-N 3.5Å; L315-F320 HydrophobicContact CB-CB 4.48Å; L315-F320 HydrophobicContact CB-CD2 4.44Å; L315-F320 HydrophobicContact CD2-CD2 3.82Å; L315-F320 HydrophobicContact CD2-CE2 4.25Å; L315-F320 HydrophobicContact CD2-CG 4.33Å; L315-F320 WeakPolarHBondContact O-CD2 3.18Å; L315-F320 PolarHBondContact O-N 2.81Å; L315-V322 HydrophobicContact CB-CG2 3.59Å; L315-V322 HydrophobicContact CD1-CG1 4.41Å; L315-I375 HydrophobicContact CD1-CD1 4.18Å; L315-M462 HydrophobicContact CD2-CG 4.47Å; L315-M462 HydrophobicContact CD2-SD 3.65Å; L315-M462 HydrophobicContact CG-SD 3.97Å
316A94.9Very high95.8Very high1 Ų120.7 Ų20.71%0.00813%0.129CC..Hα-helixtrans-62.6-42.4-179.200000112T312 A318 G319 V322 L343 A355 K358 I359T312-A316 WeakPolarHBondContact O-CB 3.49Å; T312-A316 PolarHBondContact O-N 3.26Å; A316-A318 PolarHBondContact O-N 2.88Å; A316-G319 PolarHBondContact O-N 3.11Å; A316-V322 HydrophobicContact CB-CG2 4.31Å; A316-L343 HydrophobicContact CB-CD2 4.49Å; A316-A355 HydrophobicContact CB-CB 4.5Å; A316-K358 HydrophobicContact CB-CB 4.44Å; A316-I359 HydrophobicContact CB-CD1 3.76Å; A316-I359 HydrophobicContact CB-CG1 3.78Å
317Q91.4Very high95.9Very high58 Ų5819.3 Ų19.327%0.27112%0.12SC..Hα-helixtrans-67.6-24.9177.4-71.4172.6-1.200113.5V313 L315 L343V313-Q317 HydrophobicContact CG1-CG 4.37Å; V313-Q317 VanDerWaalsContact CG1-NE2 3.31Å; V313-Q317 WeakPolarHBondContact O-CB 3.47Å; V313-Q317 WeakPolarHBondContact O-CG 3.42Å; V313-Q317 PolarHBondContact O-N 3.28Å; L315-Q317 PolarHBondContact O-N 3.06Å; Q317-L343 HydrophobicContact CG-CD2 3.75Å
318A91.8Very high95.9Very high34 Ų3423 Ų2328%0.28114%0.137SC..THydrogen-bonded Turntrans-81.5-1.5172.700000113.1S314 L315 A316 F320 K461 M462S314-A318 WeakPolarHBondContact O-CB 3.48Å; S314-A318 PolarHBondContact O-N 3.17Å; L315-A318 PolarHBondContact O-N 2.95Å; L315-A318 VanDerWaalsContact O-N 3.16Å; A316-A318 PolarHBondContact O-N 2.88Å; A318-F320 HydrophobicContact CB-CD2 3.72Å; A318-F320 HydrophobicContact CB-CE2 3.67Å; A318-K461 WeakPolarHBondContact CB-O 3.28Å; A318-M462 HydrophobicContact CB-CB 4.44Å; A318-M462 HydrophobicContact CB-CG 3.88Å
319G91.8Very high95.7Very high48 Ų4830.1 Ų30.150%0.49517%0.17SC..THydrogen-bonded Turntrans88.68.7175.300000115.4L315 A316L315-G319 PolarHBondContact O-N 3.5Å; A316-G319 PolarHBondContact O-N 3.11Å
320F94.4Very high95.5Very high10 Ų1034.7 Ų34.74%0.04419%0.194CC..  trans-73.8148.2175.7-63.2-78.8000111.4V296 L315 A318 V322 K358 M458 K461 M462V296-F320 HydrophobicContact CB-CE1 4.35Å; V296-F320 HydrophobicContact CG1-CD1 4.35Å; V296-F320 HydrophobicContact CG1-CE1 4.26Å; V296-F320 WeakPolarHBondContact O-CE1 3.39Å; L315-F320 HydrophobicContact CB-CB 4.48Å; L315-F320 HydrophobicContact CB-CD2 4.44Å; L315-F320 HydrophobicContact CD2-CD2 3.82Å; L315-F320 HydrophobicContact CD2-CE2 4.25Å; L315-F320 HydrophobicContact CD2-CG 4.33Å; L315-F320 WeakPolarHBondContact O-CD2 3.18Å; L315-F320 PolarHBondContact O-N 2.81Å; A318-F320 HydrophobicContact CB-CD2 3.72Å; A318-F320 HydrophobicContact CB-CE2 3.67Å; F320-V322 HydrophobicContact CB-CG2 4.47Å; F320-K358 WeakPolarHBondContact O-CB 3.48Å; F320-M458 HydrophobicContact CZ-SD 4.5Å; F320-K461 HydrophobicContact CE1-CD 4.23Å; F320-K461 HydrophobicContact CE2-CB 4.08Å; F320-K461 HydrophobicContact CZ-CB 3.93Å; F320-K461 HydrophobicContact CZ-CD 3.61Å; F320-K461 HydrophobicContact CZ-CG 4.43Å; F320-M462 HydrophobicContact CE2-CG 4.29Å
321S96.9Very high95.3Very high53 Ų5338.4 Ų38.437%0.37121%0.211SC..EExtended strand (participates in β ladder)trans-76.2125.6164.3-1780000108.6R297 K298 A299R297-S321 PolarHBondContact O-N 2.97Å; R297-S321 VanDerWaalsContact O-N 3.11Å; K298-S321 CarbonylContact C-O 3.12Å; K298-S321 VanDerWaalsContact CA-O 3.31Å; K298-S321 WeakPolarHBondContact CA-O 3.31Å; A299-S321 PolarHBondContact N-O 3.11Å
322V98.1Very high95.2Very high0 Ų039.3 Ų39.30%022%0.216CC..EExtended strand (participates in β ladder)trans-117.3129.7-171.5-169.90000111.1A299 V301 T312 L315 A316 F320 K358 I359 K360A299-V322 CarbonylContact O-C 3.43Å; A299-V322 VanDerWaalsContact O-CA 3.26Å; A299-V322 WeakPolarHBondContact O-CA 3.22Å; V301-V322 HydrophobicContact CG2-CG1 4.33Å; T312-V322 HydrophobicContact CG2-CG1 4.11Å; L315-V322 HydrophobicContact CB-CG2 3.59Å; L315-V322 HydrophobicContact CD1-CG1 4.41Å; A316-V322 HydrophobicContact CB-CG2 4.31Å; F320-V322 HydrophobicContact CB-CG2 4.47Å; V322-K358 PolarHBondContact N-O 2.79Å; V322-I359 HydrophobicContact CB-CG1 4.34Å; V322-I359 CarbonylContact O-C 3.54Å; V322-I359 WeakPolarHBondContact O-CA 3.29Å; V322-K360 PolarHBondContact O-N 2.96Å
323V98.3Very high95.1Very high3 Ų342.4 Ų42.42%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-102.7109.8166-175.50000108.5A299 A300 V301 V325 K360 A367 V368 V371A299-V323 PolarHBondContact O-N 3.5Å; A300-V323 CarbonylContact C-O 3.59Å; A300-V323 WeakPolarHBondContact CA-O 3.47Å; A300-V323 HydrophobicContact CB-CB 4.22Å; V301-V323 PolarHBondContact N-O 3.11Å; V323-V325 HydrophobicContact CG1-CG2 3.98Å; V323-K360 CarbonylContact C-O 3.58Å; V323-K360 WeakPolarHBondContact CA-O 3.27Å; V323-A367 HydrophobicContact CG1-CB 3.99Å; V323-V368 HydrophobicContact CG1-CG1 4.28Å; V323-V371 HydrophobicContact CG2-CG1 4.08Å
324A98.1Very high95.1Very high0 Ų046.6 Ų46.60%026%0.257CS..EExtended strand (participates in β ladder)trans-100.4115.5-179.100000109.6L304 T312 I359 K360 Y361 S362L304-A324 HydrophobicContact CD1-CB 3.9Å; L304-A324 HydrophobicContact CD2-CB 3.95Å; T312-A324 HydrophobicContact CG2-CB 4.1Å; A324-I359 HydrophobicContact CB-CG2 4.06Å; A324-K360 PolarHBondContact N-O 2.9Å; A324-Y361 HydrophobicContact CB-CD1 3.81Å; A324-Y361 HydrophobicContact CB-CE1 3.95Å; A324-Y361 WeakPolarHBondContact O-CA 3.34Å; A324-S362 PolarHBondContact O-N 3.43Å
325V98.2Very high95.1Very high1 Ų146.3 Ų46.31%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-113.4124.8-174.3-176.50000111V301 I302 G303 V323 S362 V365 V368V301-V325 PolarHBondContact O-N 2.99Å; I302-V325 HydrophobicContact CD1-CB 3.79Å; I302-V325 HydrophobicContact CD1-CG1 4.32Å; I302-V325 HydrophobicContact CD1-CG2 3.95Å; G303-V325 PolarHBondContact N-O 3.37Å; V323-V325 HydrophobicContact CG1-CG2 3.98Å; V325-S362 WeakPolarHBondContact CA-O 3.46Å; V325-V365 HydrophobicContact CG1-CG2 4.27Å; V325-V368 HydrophobicContact CG2-CG1 3.8Å
326E97.1Very high95.1Very high17 Ų1752.1 Ų52.18%0.07928%0.28CS..  trans-135.5126.9167.1178.252.9-100.900108.9L304 Q328 Q331 L332 S362 C363L304-E326 HydrophobicContact CB-CB 3.98Å; L304-E326 HydrophobicContact CD1-CB 3.84Å; L304-E326 HydrophobicContact CG-CB 3.89Å; L304-E326 PolarHBondContact N-OE2 2.86Å; E326-Q328 VanDerWaalsContact C-N 3.33Å; E326-Q328 PolarHBondContact O-N 3.34Å; E326-Q328 PolarHBondContact OE1-N 3.28Å; E326-Q331 HydrophobicContact CG-CB 3.66Å; E326-L332 HydrophobicContact CB-CB 4Å; E326-L332 HydrophobicContact CB-CD1 3.93Å; E326-L332 HydrophobicContact CG-CB 4.35Å; E326-S362 PolarHBondContact N-O 2.75Å; E326-C363 VanDerWaalsContact O-CA 3.31Å; E326-C363 WeakPolarHBondContact O-CA 3.34Å
327T92.3Very high95.1Very high87 Ų8758.9 Ų58.953%0.53431%0.312SS..SBendtrans-72.7-27.3-171.956.40000113.1V365T327-V365 HydrophobicContact CG2-CG2 4.45Å
328Q94.1Very high95.3Very high115 Ų11557.4 Ų57.454%0.53731%0.309SS..SBendtrans-92.8116179.7-64.1-65.1-11.500110.6E326 Q330 Q331 L332E326-Q328 VanDerWaalsContact C-N 3.33Å; E326-Q328 PolarHBondContact O-N 3.34Å; E326-Q328 PolarHBondContact OE1-N 3.28Å; Q328-Q330 VanDerWaalsContact C-N 3.28Å; Q328-Q330 PolarHBondContact O-N 3.1Å; Q328-Q331 HydrophobicContact CB-CB 4.06Å; Q328-Q331 HydrophobicContact CB-CG 3.95Å; Q328-Q331 PolarHBondContact O-N 3.4Å; Q328-L332 PolarHBondContact O-N 2.98Å
329E93.4Very high95.5Very high150 Ų15055.8 Ų55.870%0.70130%0.296SS*.Hα-helixtrans-54.6-42.1-175.5-70.8-170167.400113.3L332 S333E329-L332 PolarHBondContact O-N 3.4Å; E329-S333 PolarHBondContact O-N 2.96Å
330Q94.5Very high95.5Very high146 Ų14655 Ų5568%0.68228%0.283SS*.Hα-helixtrans-61.2-48.2177.1-176.3179.9-7.500111.4Q328 L332 S333 E334Q328-Q330 VanDerWaalsContact C-N 3.28Å; Q328-Q330 PolarHBondContact O-N 3.1Å; Q330-L332 VanDerWaalsContact C-N 3.31Å; Q330-L332 PolarHBondContact O-N 3.36Å; Q330-S333 PolarHBondContact O-N 3.04Å; Q330-E334 PolarHBondContact NE2-OE1 2.84Å; Q330-E334 WeakPolarHBondContact O-CG 3.36Å; Q330-E334 PolarHBondContact O-N 3.3Å
331Q92.6Very high95.5Very high78 Ų7855.1 Ų55.136%0.36429%0.287SS..Hα-helixtrans-66.5-34.6179.7-63.6-176.49.800111.7E326 Q328 A335E326-Q331 HydrophobicContact CG-CB 3.66Å; Q328-Q331 HydrophobicContact CB-CB 4.06Å; Q328-Q331 HydrophobicContact CB-CG 3.95Å; Q328-Q331 PolarHBondContact O-N 3.4Å; Q331-A335 WeakPolarHBondContact O-CB 3.29Å; Q331-A335 PolarHBondContact O-N 3.11Å
332L96.2Very high95.3Very high20 Ų2054.5 Ų54.511%0.10528%0.279CS..Hα-helixtrans-63.1-44.7174-177.164.1000111.4L304 E326 Q328 E329 Q330 A335 K336 Y361 C363L304-L332 HydrophobicContact CD1-CD1 3.58Å; E326-L332 HydrophobicContact CB-CB 4Å; E326-L332 HydrophobicContact CB-CD1 3.93Å; E326-L332 HydrophobicContact CG-CB 4.35Å; Q328-L332 PolarHBondContact O-N 2.98Å; E329-L332 PolarHBondContact O-N 3.4Å; Q330-L332 VanDerWaalsContact C-N 3.31Å; Q330-L332 PolarHBondContact O-N 3.36Å; L332-A335 PolarHBondContact O-N 2.99Å; L332-K336 WeakPolarHBondContact O-CB 3.44Å; L332-K336 PolarHBondContact O-N 2.94Å; L332-Y361 HydrophobicContact CD1-CD1 3.86Å; L332-Y361 HydrophobicContact CD1-CG 4.43Å; L332-C363 WeakPolarHBondContact CD2-SG 3.18Å
333S95.4Very high95Very high65 Ų6554.7 Ų54.746%0.45528%0.28SS..Hα-helixtrans-61.5-47.7177.9-172.80000111.6E329 Q330 A335 K336 Q337E329-S333 PolarHBondContact O-N 2.96Å; Q330-S333 PolarHBondContact O-N 3.04Å; S333-A335 PolarHBondContact O-N 3.13Å; S333-K336 PolarHBondContact O-N 2.78Å; S333-Q337 PolarHBondContact O-N 2.79Å; S333-Q337 VanDerWaalsContact O-N 3.15Å
334E95.2Very high94.7Very high87 Ų8759 Ų5941%0.40730%0.3SS..Hα-helixtrans-61.4-42.5175.3-70.2174.8-168.500112.1Q330 K336 Q337 A338Q330-E334 PolarHBondContact NE2-OE1 2.84Å; Q330-E334 WeakPolarHBondContact O-CG 3.36Å; Q330-E334 PolarHBondContact O-N 3.3Å; E334-K336 PolarHBondContact O-N 2.86Å; E334-Q337 PolarHBondContact O-N 3.45Å; E334-A338 WeakPolarHBondContact O-CB 3.41Å; E334-A338 PolarHBondContact O-N 3.17Å
335A95.2Very high94.2Very high0 Ų066.6 Ų66.60%033%0.328CS..Hα-helixtrans-62.6-42.7177.300000111.7L304 R309 Q331 L332 S333 Q337 A338 V339L304-A335 HydrophobicContact CB-CB 3.58Å; L304-A335 HydrophobicContact CD1-CB 3.98Å; L304-A335 HydrophobicContact CG-CB 4.44Å; R309-A335 HydrophobicContact CG-CB 4.09Å; Q331-A335 WeakPolarHBondContact O-CB 3.29Å; Q331-A335 PolarHBondContact O-N 3.11Å; L332-A335 PolarHBondContact O-N 2.99Å; S333-A335 PolarHBondContact O-N 3.13Å; A335-Q337 PolarHBondContact O-N 2.76Å; A335-A338 PolarHBondContact O-N 3.37Å; A335-V339 WeakPolarHBondContact O-CB 3.35Å; A335-V339 VanDerWaalsContact O-CG2 3.27Å; A335-V339 WeakPolarHBondContact O-CG2 3.19Å; A335-V339 PolarHBondContact O-N 2.74Å
336K96.1Very high93.5Very high121 Ų12167.2 Ų67.253%0.52634%0.335SS..Hα-helixtrans-59.1-45.6177.3-177.6176.9178.8-176.30111.5L332 S333 E334 S340 Y361L332-K336 WeakPolarHBondContact O-CB 3.44Å; L332-K336 PolarHBondContact O-N 2.94Å; S333-K336 PolarHBondContact O-N 2.78Å; E334-K336 PolarHBondContact O-N 2.86Å; K336-S340 WeakPolarHBondContact O-CB 3.44Å; K336-S340 PolarHBondContact O-N 3.04Å; K336-Y361 HydrophobicContact CB-CD1 4.39Å; K336-Y361 HydrophobicContact CB-CE1 4.13Å; K336-Y361 HydrophobicContact CB-CE2 4.45Å; K336-Y361 HydrophobicContact CD-CD2 4.18Å; K336-Y361 HydrophobicContact CD-CE2 4.34Å; K336-Y361 HydrophobicContact CG-CD2 4.15Å; K336-Y361 HydrophobicContact CG-CE1 4.41Å; K336-Y361 HydrophobicContact CG-CE2 3.85Å
337Q95.4Very high92.9Very high143 Ų14366.9 Ų66.967%0.66834%0.335SS*.Hα-helixtrans-63.4-46.5176.1-68.1179.90.800111.7S333 E334 A335 S340 G341S333-Q337 PolarHBondContact O-N 2.79Å; S333-Q337 VanDerWaalsContact O-N 3.15Å; E334-Q337 PolarHBondContact O-N 3.45Å; A335-Q337 PolarHBondContact O-N 2.76Å; Q337-S340 PolarHBondContact O-N 3.28Å; Q337-G341 PolarHBondContact O-N 3.32Å
338A95.1Very high92.6Very high27 Ų2771.8 Ų71.822%0.22335%0.349CS..Hα-helixtrans-62.9-45.2-179.600000112.4E334 A335 S340 G341 M342E334-A338 WeakPolarHBondContact O-CB 3.41Å; E334-A338 PolarHBondContact O-N 3.17Å; A335-A338 PolarHBondContact O-N 3.37Å; A338-S340 VanDerWaalsContact C-N 3.34Å; A338-G341 PolarHBondContact O-N 3.34Å; A338-M342 VanDerWaalsContact O-CG 3.28Å; A338-M342 WeakPolarHBondContact O-CG 3.46Å; A338-M342 PolarHBondContact O-N 2.86Å
339V95.9Very high91.8Very high0 Ų076.9 Ų76.90%036%0.363CS..Hα-helixtrans-62.9-41.8176.5169.40000110.5R309 T312 V313 A335 M342 L343 I359 Y361R309-V339 HydrophobicContact CB-CG2 3.97Å; R309-V339 HydrophobicContact CG-CG2 4.12Å; T312-V339 HydrophobicContact CG2-CG1 4.25Å; V313-V339 HydrophobicContact CG2-CB 4.36Å; V313-V339 HydrophobicContact CG2-CG1 3.86Å; V313-V339 HydrophobicContact CG2-CG2 4.32Å; A335-V339 WeakPolarHBondContact O-CB 3.35Å; A335-V339 VanDerWaalsContact O-CG2 3.27Å; A335-V339 WeakPolarHBondContact O-CG2 3.19Å; A335-V339 PolarHBondContact O-N 2.74Å; V339-M342 PolarHBondContact O-N 3.27Å; V339-L343 HydrophobicContact CG1-CD1 4.05Å; V339-L343 HydrophobicContact CG1-CG 4.43Å; V339-L343 WeakPolarHBondContact O-CG 3.46Å; V339-L343 PolarHBondContact O-N 3.44Å; V339-I359 HydrophobicContact CG1-CD1 3.82Å; V339-Y361 WeakPolarHBondContact CB-OH 3.35Å; V339-Y361 WeakPolarHBondContact CG1-OH 3.26Å
340S93.7Very high90.8Very high32 Ų3276.2 Ų76.222%0.22435%0.354CS..Hα-helixtrans-57.4-53.2176.6-164.30000111.5K336 Q337 A338 M342 L343 E344 H356K336-S340 WeakPolarHBondContact O-CB 3.44Å; K336-S340 PolarHBondContact O-N 3.04Å; Q337-S340 PolarHBondContact O-N 3.28Å; A338-S340 VanDerWaalsContact C-N 3.34Å; S340-M342 VanDerWaalsContact C-N 3.28Å; S340-M342 PolarHBondContact O-N 3.18Å; S340-L343 WeakPolarHBondContact O-CB 3.27Å; S340-L343 PolarHBondContact O-N 3.06Å; S340-L343 VanDerWaalsContact O-N 3.1Å; S340-E344 WeakPolarHBondContact O-CG 3.41Å; S340-E344 PolarHBondContact O-N 2.93Å; S340-E344 PolarHBondContact OG-OE1 3.04Å; S340-H356 PolarHBondContact OG-CE1 2.81Å
341G93.9Very high89.8Confident12 Ų1272.8 Ų72.812%0.12436%0.358CS..Hα-helixtrans-62.8-32.7179.300000113.2Q337 A338 R345Q337-G341 PolarHBondContact O-N 3.32Å; A338-G341 PolarHBondContact O-N 3.34Å; G341-R345 WeakPolarHBondContact O-CB 3.45Å; G341-R345 VanDerWaalsContact O-CG 3.32Å; G341-R345 WeakPolarHBondContact O-CG 3.4Å; G341-R345 PolarHBondContact O-N 3.23Å; G341-R345 VanDerWaalsContact O-N 3.12Å; G341-R345 PolarHBondContact O-NE 3.43Å; G341-R345 PolarHBondContact O-NH1 3.02Å
342M93.2Very high88.9Confident40 Ų4072.5 Ų72.520%0.19736%0.362CS..Hα-helixtrans-67.1-42.4173.8-72.8178.8-166.300112.1V313 A338 V339 S340 G346V313-M342 HydrophobicContact CG1-CB 4.48Å; V313-M342 HydrophobicContact CG2-CB 3.81Å; V313-M342 HydrophobicContact CG2-SD 4.1Å; A338-M342 VanDerWaalsContact O-CG 3.28Å; A338-M342 WeakPolarHBondContact O-CG 3.46Å; A338-M342 PolarHBondContact O-N 2.86Å; V339-M342 PolarHBondContact O-N 3.27Å; S340-M342 VanDerWaalsContact C-N 3.28Å; S340-M342 PolarHBondContact O-N 3.18Å; M342-G346 PolarHBondContact O-N 2.94Å
343L91.7Very high87.9Confident4 Ų477.3 Ų77.32%0.02139%0.394CS..Hα-helixtrans-63.8-45.9176.3-72.5170.9000111.3V313 A316 Q317 V339 S340 G346 A347 I359V313-L343 HydrophobicContact CG1-CD2 4.11Å; V313-L343 HydrophobicContact CG2-CG 4.46Å; A316-L343 HydrophobicContact CB-CD2 4.49Å; Q317-L343 HydrophobicContact CG-CD2 3.75Å; V339-L343 HydrophobicContact CG1-CD1 4.05Å; V339-L343 HydrophobicContact CG1-CG 4.43Å; V339-L343 WeakPolarHBondContact O-CG 3.46Å; V339-L343 PolarHBondContact O-N 3.44Å; S340-L343 WeakPolarHBondContact O-CB 3.27Å; S340-L343 PolarHBondContact O-N 3.06Å; S340-L343 VanDerWaalsContact O-N 3.1Å; L343-G346 CarbonylContact O-C 3.58Å; L343-G346 PolarHBondContact O-N 3.01Å; L343-A347 VanDerWaalsContact O-CB 3.29Å; L343-A347 WeakPolarHBondContact O-CB 3.24Å; L343-A347 PolarHBondContact O-N 3.49Å; L343-I359 HydrophobicContact CD1-CD1 3.78Å
344E90.7Very high87.1Confident94 Ų9478.5 Ų78.544%0.43940%0.395SS..Hα-helixtrans-59.6-49.3178.7-70.9161.2-146.300112.4S340 G346 A347 K348 L354S340-E344 WeakPolarHBondContact O-CG 3.41Å; S340-E344 PolarHBondContact O-N 2.93Å; S340-E344 PolarHBondContact OG-OE1 3.04Å; E344-G346 VanDerWaalsContact C-N 3.3Å; E344-G346 PolarHBondContact O-N 3.49Å; E344-A347 PolarHBondContact O-N 2.98Å; E344-K348 WeakPolarHBondContact O-CB 3.5Å; E344-K348 PolarHBondContact O-N 3.37Å; E344-L354 HydrophobicContact CB-CD2 4.27Å; E344-L354 HydrophobicContact CG-CD2 3.84Å
345R88.6Confident86.2Confident160 Ų16075.2 Ų75.260%0.60438%0.382SS*.Hα-helixtrans-60.6-41.5175.3-72.2-173.7-63.1-89.13.5111.6G341 R349G341-R345 WeakPolarHBondContact O-CB 3.45Å; G341-R345 VanDerWaalsContact O-CG 3.32Å; G341-R345 WeakPolarHBondContact O-CG 3.4Å; G341-R345 PolarHBondContact O-N 3.23Å; G341-R345 VanDerWaalsContact O-N 3.12Å; G341-R345 PolarHBondContact O-NE 3.43Å; G341-R345 PolarHBondContact O-NH1 3.02Å; R345-R349 WeakPolarHBondContact O-CB 3.48Å; R345-R349 PolarHBondContact O-N 3.29Å; R345-R349 VanDerWaalsContact O-N 3.08Å
346G84.1Confident85.3Confident14 Ų1478.6 Ų78.614%0.14440%0.398CS..Hα-helixtrans-67.9-37.1179.500000113.9M342 L343 E344 R350M342-G346 PolarHBondContact O-N 2.94Å; L343-G346 CarbonylContact O-C 3.58Å; L343-G346 PolarHBondContact O-N 3.01Å; E344-G346 VanDerWaalsContact C-N 3.3Å; E344-G346 PolarHBondContact O-N 3.49Å; G346-R350 WeakPolarHBondContact O-CB 3.44Å; G346-R350 PolarHBondContact O-N 2.9Å; G346-R350 PolarHBondContact O-NE 3.2Å
347A84.4Confident84.8Confident10 Ų1078.5 Ų78.58%0.08340%0.403CS..Hα-helixtrans-69.1-49.3176.600000110.8L343 E344 R349 R350 G351 V352 L354L343-A347 VanDerWaalsContact O-CB 3.29Å; L343-A347 WeakPolarHBondContact O-CB 3.24Å; L343-A347 PolarHBondContact O-N 3.49Å; E344-A347 PolarHBondContact O-N 2.98Å; A347-R349 VanDerWaalsContact C-N 3.3Å; A347-R349 PolarHBondContact O-N 2.86Å; A347-R350 PolarHBondContact O-N 3.14Å; A347-R350 VanDerWaalsContact O-N 3.13Å; A347-G351 PolarHBondContact O-N 2.91Å; A347-V352 WeakPolarHBondContact CB-O 3.43Å; A347-V352 PolarHBondContact O-N 3.15Å; A347-L354 HydrophobicContact CB-CD2 3.7Å; A347-L354 HydrophobicContact CB-CG 4.31Å
348K84.6Confident84.5Confident189 Ų18975.5 Ų75.582%0.82239%0.388SS*.Hα-helixtrans-56.8-42.6175.8-174.2175.9-178.41760112.2E344 R350E344-K348 WeakPolarHBondContact O-CB 3.5Å; E344-K348 PolarHBondContact O-N 3.37Å; K348-R350 VanDerWaalsContact C-N 3.35Å; K348-R350 PolarHBondContact O-N 3.14Å
349R77.7Confident84.5Confident223 Ų22375.2 Ų75.284%0.84238%0.383SS*.Hα-helixtrans-67.8-31.8179.2-173.9176.7178-176.10.2113.4R345 A347R345-R349 WeakPolarHBondContact O-CB 3.48Å; R345-R349 PolarHBondContact O-N 3.29Å; R345-R349 VanDerWaalsContact O-N 3.08Å; A347-R349 VanDerWaalsContact C-N 3.3Å; A347-R349 PolarHBondContact O-N 2.86Å
350R72.4Confident84.6Confident136 Ų13682 Ų8251%0.51341%0.412SS..Hα-helixtrans-97.9-10.5-177.1-81.2-179-77.3-160.8-16.4114.1G346 A347 K348 V352G346-R350 WeakPolarHBondContact O-CB 3.44Å; G346-R350 PolarHBondContact O-N 2.9Å; G346-R350 PolarHBondContact O-NE 3.2Å; A347-R350 PolarHBondContact O-N 3.14Å; A347-R350 VanDerWaalsContact O-N 3.13Å; K348-R350 VanDerWaalsContact C-N 3.35Å; K348-R350 PolarHBondContact O-N 3.14Å; R350-V352 VanDerWaalsContact C-N 3.28Å; R350-V352 HydrophobicContact CB-CG1 4.12Å; R350-V352 HydrophobicContact CB-CG2 3.82Å; R350-V352 PolarHBondContact O-N 3.43Å
351G72.6Confident84.7Confident74 Ų7483 Ų8376%0.76341%0.411SS*.THydrogen-bonded Turntrans64.132.4-173.100000113A347A347-G351 PolarHBondContact O-N 2.91Å
352V74.8Confident84.9Confident72 Ų7283.7 Ų83.744%0.43642%0.415SS..  trans-113.6155.8-178.7-62.90000111.4A347 R350A347-V352 WeakPolarHBondContact CB-O 3.43Å; A347-V352 PolarHBondContact O-N 3.15Å; R350-V352 VanDerWaalsContact C-N 3.28Å; R350-V352 HydrophobicContact CB-CG1 4.12Å; R350-V352 HydrophobicContact CB-CG2 3.82Å; R350-V352 PolarHBondContact O-N 3.43Å
353P74.7Confident85Confident121 Ų12184.2 Ų84.279%0.78642%0.422SS*.  trans-58.9154.2174.3-23.634.2000113.4
354L79.1Confident85.1Confident89 Ų8986.3 Ų86.347%0.46644%0.436SS..  trans-69.8141.5174.8-67.4162.2000110.8E344 A347E344-L354 HydrophobicContact CB-CD2 4.27Å; E344-L354 HydrophobicContact CG-CD2 3.84Å; A347-L354 HydrophobicContact CB-CD2 3.7Å; A347-L354 HydrophobicContact CB-CG 4.31Å
355A77.1Confident85.2Confident18 Ų1882.8 Ų82.815%0.14942%0.421CS..  trans-105.232.9-179.400000113.2A316 D357 K358A316-A355 HydrophobicContact CB-CB 4.5Å; A355-D357 VanDerWaalsContact C-N 3.3Å; A355-D357 PolarHBondContact O-N 3.19Å; A355-K358 HydrophobicContact CB-CG 4.4Å; A355-K358 PolarHBondContact O-N 2.97Å
356H75.6Confident85.5Confident71 Ų7181.1 Ų81.133%0.32942%0.42SS..G310 helixtrans-66.1-33.3-178.6-68.1-67.3000112.9S340 K358 I359S340-H356 PolarHBondContact OG-CE1 2.81Å; H356-K358 PolarHBondContact O-N 3.46Å; H356-K358 VanDerWaalsContact O-N 3.1Å; H356-I359 PolarHBondContact O-N 2.8Å
357D84.7Confident86.1Confident120 Ų12081.8 Ų81.864%0.64243%0.425SS*.G310 helixtrans-61.9-15.8-179.966.9-45.7000113.3A355A355-D357 VanDerWaalsContact C-N 3.3Å; A355-D357 PolarHBondContact O-N 3.19Å
358K88.9Confident86.7Confident79 Ų7981.3 Ų81.334%0.34342%0.421SS..G310 helixtrans-85-13.5-179.4-59.2-57.8177.1-168.20114.4A316 F320 V322 A355 H356A316-K358 HydrophobicContact CB-CB 4.44Å; F320-K358 WeakPolarHBondContact O-CB 3.48Å; V322-K358 PolarHBondContact N-O 2.79Å; A355-K358 HydrophobicContact CB-CG 4.4Å; A355-K358 PolarHBondContact O-N 2.97Å; H356-K358 PolarHBondContact O-N 3.46Å; H356-K358 VanDerWaalsContact O-N 3.1Å
359I96.4Very high87.2Confident21 Ų2174.2 Ų74.211%0.10840%0.398CS..EExtended strand (participates in β ladder)trans-112.1121.9-169.6-50.7170.3000111.5T312 A316 V322 A324 V339 L343 H356 Y361T312-I359 HydrophobicContact CG2-CD1 3.95Å; T312-I359 HydrophobicContact CG2-CG1 4.44Å; T312-I359 HydrophobicContact CG2-CG2 4.12Å; A316-I359 HydrophobicContact CB-CD1 3.76Å; A316-I359 HydrophobicContact CB-CG1 3.78Å; V322-I359 HydrophobicContact CB-CG1 4.34Å; V322-I359 CarbonylContact O-C 3.54Å; V322-I359 WeakPolarHBondContact O-CA 3.29Å; A324-I359 HydrophobicContact CB-CG2 4.06Å; V339-I359 HydrophobicContact CG1-CD1 3.82Å; L343-I359 HydrophobicContact CD1-CD1 3.78Å; H356-I359 PolarHBondContact O-N 2.8Å; I359-Y361 HydrophobicContact CB-CE2 4.13Å; I359-Y361 HydrophobicContact CG2-CD1 4.48Å; I359-Y361 HydrophobicContact CG2-CD2 4.06Å; I359-Y361 HydrophobicContact CG2-CE1 4.05Å; I359-Y361 HydrophobicContact CG2-CE2 3.56Å; I359-Y361 HydrophobicContact CG2-CG 4.5Å
360K97.1Very high88.1Confident144 Ų14468 Ų6863%0.62638%0.381SS*.EExtended strand (participates in β ladder)trans-105.2122.7167.8-174.8177.5179.5-179.60109.6V322 V323 A324V322-K360 PolarHBondContact O-N 2.96Å; V323-K360 CarbonylContact C-O 3.58Å; V323-K360 WeakPolarHBondContact CA-O 3.27Å; A324-K360 PolarHBondContact N-O 2.9Å
361Y97.3Very high89.3Confident51 Ų5161.6 Ų61.620%0.236%0.357CS..EExtended strand (participates in β ladder)trans-92.4145.2176.4-65.6-86.4000110.7L304 A324 L332 K336 V339 I359L304-Y361 HydrophobicContact CD1-CD1 4.28Å; L304-Y361 HydrophobicContact CD1-CE1 4.49Å; A324-Y361 HydrophobicContact CB-CD1 3.81Å; A324-Y361 HydrophobicContact CB-CE1 3.95Å; A324-Y361 WeakPolarHBondContact O-CA 3.34Å; L332-Y361 HydrophobicContact CD1-CD1 3.86Å; L332-Y361 HydrophobicContact CD1-CG 4.43Å; K336-Y361 HydrophobicContact CB-CD1 4.39Å; K336-Y361 HydrophobicContact CB-CE1 4.13Å; K336-Y361 HydrophobicContact CB-CE2 4.45Å; K336-Y361 HydrophobicContact CD-CD2 4.18Å; K336-Y361 HydrophobicContact CD-CE2 4.34Å; K336-Y361 HydrophobicContact CG-CD2 4.15Å; K336-Y361 HydrophobicContact CG-CE1 4.41Å; K336-Y361 HydrophobicContact CG-CE2 3.85Å; V339-Y361 WeakPolarHBondContact CB-OH 3.35Å; V339-Y361 WeakPolarHBondContact CG1-OH 3.26Å; I359-Y361 HydrophobicContact CB-CE2 4.13Å; I359-Y361 HydrophobicContact CG2-CD1 4.48Å; I359-Y361 HydrophobicContact CG2-CD2 4.06Å; I359-Y361 HydrophobicContact CG2-CE1 4.05Å; I359-Y361 HydrophobicContact CG2-CE2 3.56Å; I359-Y361 HydrophobicContact CG2-CG 4.5Å
362S96.8Very high90.5Very high28 Ų2859.4 Ų59.420%0.19633%0.328CS..EExtended strand (participates in β ladder)trans-150.7147.9174.6-170.10000112.1A324 V325 E326 S364A324-S362 PolarHBondContact O-N 3.43Å; V325-S362 WeakPolarHBondContact CA-O 3.46Å; E326-S362 PolarHBondContact N-O 2.75Å; S362-S364 VanDerWaalsContact C-N 3.33Å; S362-S364 PolarHBondContact OG-N 3.34Å; S362-S364 VanDerWaalsContact OG-N 3.12Å; S362-S364 PolarHBondContact OG-O 2.87Å
363C95.3Very high91.6Very high51 Ų5156 Ų5635%0.34531%0.307SS..SBendtrans-86.8-5.4168.1-55.30000113.4E326 L332E326-C363 VanDerWaalsContact O-CA 3.31Å; E326-C363 WeakPolarHBondContact O-CA 3.34Å; L332-C363 WeakPolarHBondContact CD2-SG 3.18Å
364S94.8Very high92.8Very high47 Ų4750.2 Ų50.233%0.32927%0.269SS..  trans-113.7125.4-170.6159.10000110.1S362 Q366 A367S362-S364 VanDerWaalsContact C-N 3.33Å; S362-S364 PolarHBondContact OG-N 3.34Å; S362-S364 VanDerWaalsContact OG-N 3.12Å; S362-S364 PolarHBondContact OG-O 2.87Å; S364-Q366 PolarHBondContact O-N 3.28Å; S364-Q366 WeakPolarHBondContact OG-CB 3.34Å; S364-Q366 PolarHBondContact OG-N 3.14Å; S364-Q366 PolarHBondContact OG-OE1 2.74Å; S364-A367 VanDerWaalsContact O-CB 3.24Å; S364-A367 WeakPolarHBondContact O-CB 3.39Å; S364-A367 PolarHBondContact O-N 2.96Å; S364-A367 VanDerWaalsContact O-N 3.11Å
365V92.6Very high93.7Very high21 Ų2146 Ų4613%0.12725%0.247CC..G310 helixtrans-63.2-26176.7-178.80000110.9V325 T327 A367 V368 L392 I395V325-V365 HydrophobicContact CG1-CG2 4.27Å; T327-V365 HydrophobicContact CG2-CG2 4.45Å; V365-A367 PolarHBondContact O-N 2.83Å; V365-V368 HydrophobicContact CG1-CG2 4.35Å; V365-V368 WeakPolarHBondContact O-CG2 3.45Å; V365-V368 PolarHBondContact O-N 3.09Å; V365-L392 HydrophobicContact CG1-CD2 4.05Å; V365-I395 HydrophobicContact CB-CD1 4.4Å; V365-I395 HydrophobicContact CG1-CD1 3.89Å
366Q94.9Very high94.7Very high124 Ų12445.1 Ų45.158%0.57924%0.24SC*.G310 helixtrans-58.7-21.4175.2-64.375.57.300113S364 V368 A369S364-Q366 PolarHBondContact O-N 3.28Å; S364-Q366 WeakPolarHBondContact OG-CB 3.34Å; S364-Q366 PolarHBondContact OG-N 3.14Å; S364-Q366 PolarHBondContact OG-OE1 2.74Å; Q366-V368 PolarHBondContact O-N 3.08Å; Q366-V368 VanDerWaalsContact O-N 3.08Å; Q366-A369 PolarHBondContact O-N 3.12Å
367A95.9Very high95.7Very high29 Ų2942.4 Ų42.424%0.2423%0.23CC..G310 helixtrans-61.9-15175.500000114V323 S364 V365V323-A367 HydrophobicContact CG1-CB 3.99Å; S364-A367 VanDerWaalsContact O-CB 3.24Å; S364-A367 WeakPolarHBondContact O-CB 3.39Å; S364-A367 PolarHBondContact O-N 2.96Å; S364-A367 VanDerWaalsContact O-N 3.11Å; V365-A367 PolarHBondContact O-N 2.83Å
368V96.6Very high96.2Very high0 Ų038.2 Ų38.20%021%0.209CC..G310 helixtrans-91.63.5179.5-52.50000114.6A300 I302 V323 V325 V365 Q366 D370 V371 L392 I395A300-V368 HydrophobicContact CB-CB 4.09Å; A300-V368 HydrophobicContact CB-CG1 3.48Å; A300-V368 VanDerWaalsContact CB-CG1 3.48Å; I302-V368 HydrophobicContact CD1-CG1 3.78Å; V323-V368 HydrophobicContact CG1-CG1 4.28Å; V325-V368 HydrophobicContact CG2-CG1 3.8Å; V365-V368 HydrophobicContact CG1-CG2 4.35Å; V365-V368 WeakPolarHBondContact O-CG2 3.45Å; V365-V368 PolarHBondContact O-N 3.09Å; Q366-V368 PolarHBondContact O-N 3.08Å; Q366-V368 VanDerWaalsContact O-N 3.08Å; V368-D370 VanDerWaalsContact C-N 3.28Å; V368-D370 PolarHBondContact O-N 3.13Å; V368-V371 HydrophobicContact CB-CG1 4.35Å; V368-V371 HydrophobicContact CB-CG2 4.21Å; V368-V371 VanDerWaalsContact O-CG2 3.32Å; V368-V371 WeakPolarHBondContact O-CG2 3.48Å; V368-V371 PolarHBondContact O-N 2.95Å; V368-L392 HydrophobicContact CG2-CD2 3.68Å; V368-I395 HydrophobicContact CG2-CG2 4.3Å
369A96.9Very high96.3Very high40 Ų4042 Ų4233%0.33123%0.226SC..THydrogen-bonded Turntrans-54.1-41-175.200000114.1Q366 I395 K397Q366-A369 PolarHBondContact O-N 3.12Å; A369-I395 WeakPolarHBondContact CA-O 3.39Å; A369-I395 HydrophobicContact CB-CG2 4.12Å; A369-K397 PolarHBondContact O-N 3.33Å
370D95.9Very high96Very high93 Ų9344.8 Ų44.850%0.49724%0.238SC..THydrogen-bonded Turntrans-110.463.1178178.239.2000111.5K298 V368 K397K298-D370 VanDerWaalsContact CD-O 3.29Å; K298-D370 WeakPolarHBondContact CD-O 3.45Å; K298-D370 WeakPolarHBondContact CE-O 3.38Å; K298-D370 PolarHBondContact NZ-O 3.19Å; K298-D370 IonicContact NZ-OD2 3.88Å; V368-D370 VanDerWaalsContact C-N 3.28Å; V368-D370 PolarHBondContact O-N 3.13Å; D370-K397 IonicContact OD1-NZ 3.96Å; D370-K397 PolarHBondContact OD1-NZ 3.14Å
371V97.7Very high95.7Very high0 Ų041.8 Ų41.80%023%0.229CC..  trans-121.1152.3168.8-52.40000110K298 A300 V323 V368 V374 K397 V400K298-V371 HydrophobicContact CD-CG1 4.25Å; K298-V371 HydrophobicContact CG-CB 4.41Å; K298-V371 HydrophobicContact CG-CG1 4.04Å; A300-V371 HydrophobicContact CB-CB 4.47Å; A300-V371 HydrophobicContact CB-CG1 4.18Å; A300-V371 HydrophobicContact CB-CG2 4.04Å; V323-V371 HydrophobicContact CG2-CG1 4.08Å; V368-V371 HydrophobicContact CB-CG1 4.35Å; V368-V371 HydrophobicContact CB-CG2 4.21Å; V368-V371 VanDerWaalsContact O-CG2 3.32Å; V368-V371 WeakPolarHBondContact O-CG2 3.48Å; V368-V371 PolarHBondContact O-N 2.95Å; V371-V374 HydrophobicContact CG2-CG2 3.6Å; V371-K397 WeakPolarHBondContact O-CE 3.16Å; V371-V400 HydrophobicContact CG2-CG2 4.3Å
372D97.8Very high95.5Very high28 Ų2840.8 Ų40.815%0.1523%0.227CC..SBendtrans-83.2-25.6-179.3-49.9-43.6000111.3V296 R297 K298 K397 L401V296-D372 HydrophobicContact CG1-CB 4.23Å; R297-D372 PolarHBondContact N-OD2 3.42Å; K298-D372 PolarHBondContact N-OD2 3.08Å; K298-D372 PolarHBondContact O-N 3.47Å; D372-K397 WeakPolarHBondContact OD1-CE 3.45Å; D372-K397 IonicContact OD1-NZ 2.95Å; D372-K397 PolarHBondContact OD1-NZ 3.19Å; D372-L401 PolarHBondContact O-N 2.95Å; D372-L401 VanDerWaalsContact O-N 3.1Å
373L98Very high95.4Very high0 Ų042.4 Ų42.40%024%0.242CC..EExtended strand (participates in β ladder)trans-151.1143-178.4179.8149.3000111.5V296 A299 A300 I375 L401 M458V296-L373 HydrophobicContact CG1-CB 4.16Å; V296-L373 HydrophobicContact CG2-CB 4.47Å; A299-L373 CarbonylContact C-O 3.5Å; A299-L373 VanDerWaalsContact CA-O 3.26Å; A299-L373 WeakPolarHBondContact CA-O 3.25Å; A299-L373 HydrophobicContact CB-CD2 4.44Å; A300-L373 PolarHBondContact N-O 3.42Å; L373-I375 HydrophobicContact CD2-CD1 4.08Å; L373-I375 HydrophobicContact CD2-CG1 3.47Å; L373-I375 VanDerWaalsContact CD2-CG1 3.47Å; L373-L401 CarbonylContact C-O 3.39Å; L373-L401 WeakPolarHBondContact CA-O 3.43Å; L373-L401 HydrophobicContact CB-CB 4.11Å; L373-L401 HydrophobicContact CD1-CB 3.86Å; L373-L401 HydrophobicContact CD1-CD2 4Å; L373-L401 HydrophobicContact CG-CB 3.92Å; L373-M458 HydrophobicContact CD1-CE 3.38Å; L373-M458 HydrophobicContact CD1-SD 3.69Å; L373-M458 HydrophobicContact CD2-CE 3.55Å; L373-M458 HydrophobicContact CD2-SD 4.27Å; L373-M458 HydrophobicContact CG-CE 4.11Å; L373-M458 HydrophobicContact CG-SD 4.48Å
374V98.6Very high95.3Very high0 Ų043.1 Ų43.10%024%0.242CC..EExtended strand (participates in β ladder)trans-118.5135173.7-175.30000109.7A300 I302 V371 L392 V400 L401 L402 C403A300-V374 HydrophobicContact CB-CG1 4.31Å; A300-V374 HydrophobicContact CB-CG2 4.24Å; A300-V374 CarbonylContact O-C 3.43Å; I302-V374 HydrophobicContact CD1-CG1 4.28Å; I302-V374 HydrophobicContact CG1-CG1 3.56Å; V371-V374 HydrophobicContact CG2-CG2 3.6Å; V374-L392 HydrophobicContact CG1-CD1 3.86Å; V374-L392 HydrophobicContact CG1-CD2 4.1Å; V374-L392 HydrophobicContact CG2-CD2 4.47Å; V374-V400 HydrophobicContact CG2-CG2 4.09Å; V374-L401 PolarHBondContact N-O 2.8Å; V374-L402 HydrophobicContact CB-CD2 3.92Å; V374-L402 HydrophobicContact CG2-CD2 3.92Å; V374-C403 WeakPolarHBondContact O-CA 3.18Å; V374-C403 WeakPolarHBondContact O-CB 3.24Å; V374-C403 PolarHBondContact O-N 3.17Å
375I98.7Very high95.4Very high0 Ų040.9 Ų40.90%023%0.226CC..EExtended strand (participates in β ladder)trans-112.4111.1168.7-52-179.4000108.7A300 V301 I302 I311 L315 L373 C403 M427 F429 M458A300-I375 PolarHBondContact O-N 2.9Å; V301-I375 VanDerWaalsContact CA-O 3.32Å; V301-I375 WeakPolarHBondContact CA-O 3.32Å; I302-I375 PolarHBondContact N-O 3.33Å; I311-I375 HydrophobicContact CD1-CG2 4.2Å; I311-I375 HydrophobicContact CG2-CB 4.45Å; I311-I375 HydrophobicContact CG2-CD1 3.81Å; I311-I375 HydrophobicContact CG2-CG2 4.26Å; L315-I375 HydrophobicContact CD1-CD1 4.18Å; L373-I375 HydrophobicContact CD2-CD1 4.08Å; L373-I375 HydrophobicContact CD2-CG1 3.47Å; L373-I375 VanDerWaalsContact CD2-CG1 3.47Å; I375-C403 CarbonylContact C-O 3.57Å; I375-C403 WeakPolarHBondContact CA-O 3.45Å; I375-C403 HydrophobicContact CG1-CB 4.27Å; I375-M427 HydrophobicContact CD1-CE 4.45Å; I375-M427 HydrophobicContact CD1-SD 4.1Å; I375-M427 HydrophobicContact CG1-SD 4.35Å; I375-F429 HydrophobicContact CD1-CE2 4.08Å; I375-F429 HydrophobicContact CD1-CZ 4.15Å; I375-F429 HydrophobicContact CG2-CE2 4.25Å; I375-M458 HydrophobicContact CD1-CE 4.25Å
376E98.4Very high95.7Very high0 Ų042.4 Ų42.40%023%0.231CC..EExtended strand (participates in β ladder)trans-82.5125.9175.8179.6-77.1119.400110.4V378 K385 V388 F389 C403 T404 N405E376-V378 HydrophobicContact CG-CG2 4.24Å; E376-V378 WeakPolarHBondContact OE1-CA 3.39Å; E376-V378 WeakPolarHBondContact OE1-CG2 3.44Å; E376-V378 PolarHBondContact OE1-N 3.18Å; E376-K385 IonicContact OE1-NZ 2.92Å; E376-K385 PolarHBondContact OE1-NZ 3Å; E376-K385 WeakPolarHBondContact OE2-CD 3.4Å; E376-K385 IonicContact OE2-NZ 2.67Å; E376-K385 PolarHBondContact OE2-NZ 2.97Å; E376-V388 HydrophobicContact CG-CG1 3.98Å; E376-F389 HydrophobicContact CB-CE2 3.95Å; E376-F389 HydrophobicContact CG-CE2 3.98Å; E376-C403 WeakPolarHBondContact CB-O 3.44Å; E376-C403 PolarHBondContact N-O 3.46Å; E376-T404 WeakPolarHBondContact OE2-CB 3.44Å; E376-T404 PolarHBondContact OE2-OG1 2.99Å; E376-N405 VanDerWaalsContact O-CB 3.29Å; E376-N405 WeakPolarHBondContact O-CB 3.26Å; E376-N405 PolarHBondContact O-N 3.5Å
377A97.3Very high95.8Very high14 Ų1439.6 Ų39.612%0.11622%0.222CC..  trans-140.237.1179.800000112.2I302 I311 N405I302-A377 CarbonylContact O-C 3.53Å; I302-A377 WeakPolarHBondContact O-CA 3.32Å; I302-A377 PolarHBondContact O-N 3.43Å; I311-A377 HydrophobicContact CD1-CB 4.23Å; A377-N405 HydrophobicContact CB-CB 4.2Å
378V95.1Very high95.8Very high33 Ų3339 Ų3920%0.222%0.215CC..  trans-76.4-179.9170.6-52.30000111.3I302 E376 L384 K385 V388I302-V378 HydrophobicContact CG2-CG1 3.87Å; E376-V378 HydrophobicContact CG-CG2 4.24Å; E376-V378 WeakPolarHBondContact OE1-CA 3.39Å; E376-V378 WeakPolarHBondContact OE1-CG2 3.44Å; E376-V378 PolarHBondContact OE1-N 3.18Å; V378-L384 HydrophobicContact CB-CD2 4.37Å; V378-L384 HydrophobicContact CG2-CD2 3.92Å; V378-L384 HydrophobicContact CG2-CG 4.12Å; V378-K385 HydrophobicContact CG2-CG 4.07Å; V378-K385 PolarHBondContact O-NZ 3.36Å; V378-V388 HydrophobicContact CG2-CG2 4.33Å
379F89.9Confident95.9Very high158 Ų15839 Ų3969%0.69322%0.215SC*.  trans-53149.2-179.6-65.8-69.7000113.2D381 L384 K385F379-D381 PolarHBondContact O-N 3.31Å; F379-L384 HydrophobicContact CB-CD2 4.01Å; F379-L384 HydrophobicContact CD2-CD2 4.33Å; F379-K385 VanDerWaalsContact O-CE 3.27Å; F379-K385 WeakPolarHBondContact O-CE 3.19Å
380E90.6Very high95.9Very high79 Ų7941.5 Ų41.537%0.36922%0.22SC..SBendtrans-78.666.1-177.9-160.872.8167.300111.3K385 T406 S407 G408 L409E380-K385 WeakPolarHBondContact OE2-CE 3.48Å; E380-K385 IonicContact OE2-NZ 3.8Å; E380-T406 WeakPolarHBondContact OE1-CA 3.38Å; E380-T406 WeakPolarHBondContact OE1-CB 3.47Å; E380-T406 PolarHBondContact OE1-OG1 2.93Å; E380-T406 WeakPolarHBondContact OE2-CA 3.49Å; E380-T406 PolarHBondContact OE2-OG1 3.33Å; E380-S407 PolarHBondContact OE1-N 2.99Å; E380-G408 PolarHBondContact OE1-N 3.46Å; E380-L409 HydrophobicContact CG-CD1 4.19Å; E380-L409 HydrophobicContact CG-CG 4.34Å
381D90.8Very high96Very high81 Ų8141.5 Ų41.543%0.43322%0.217SC..  trans-131.6126.6178.1178.5-88.1000109.9F379 A383 L384 K385F379-D381 PolarHBondContact O-N 3.31Å; D381-A383 WeakPolarHBondContact OD1-CB 3.2Å; D381-A383 PolarHBondContact OD1-N 3.21Å; D381-L384 HydrophobicContact CB-CB 4.07Å; D381-L384 PolarHBondContact OD1-N 2.99Å; D381-K385 WeakPolarHBondContact O-CB 3.35Å; D381-K385 WeakPolarHBondContact O-CG 3.31Å; D381-K385 PolarHBondContact O-N 3.3Å
382M92.5Very high96Very high31 Ų3141.6 Ų41.615%0.15322%0.218CC..Hα-helixtrans-64.6-42.6-175-179.155.979.600112K385 K386 L409 D410 E413 L414M382-K385 PolarHBondContact O-N 2.88Å; M382-K386 HydrophobicContact CG-CD 4.41Å; M382-K386 HydrophobicContact CG-CG 4.42Å; M382-K386 WeakPolarHBondContact O-CB 3.34Å; M382-K386 VanDerWaalsContact O-CG 3.28Å; M382-K386 WeakPolarHBondContact O-CG 3.22Å; M382-K386 PolarHBondContact O-N 3.47Å; M382-K386 HydrophobicContact SD-CG 4.08Å; M382-L409 HydrophobicContact CB-CD2 4.48Å; M382-L409 HydrophobicContact CE-CB 3.7Å; M382-L409 HydrophobicContact CE-CD2 4.27Å; M382-L409 HydrophobicContact CE-CG 4.39Å; M382-D410 HydrophobicContact CE-CB 4.36Å; M382-E413 HydrophobicContact CE-CB 4.09Å; M382-E413 HydrophobicContact CE-CG 4.2Å; M382-E413 WeakPolarHBondContact CE-OE2 3.49Å; M382-E413 HydrophobicContact SD-CB 4.32Å; M382-E413 HydrophobicContact SD-CG 3.96Å; M382-L414 HydrophobicContact SD-CD2 3.6Å; M382-L414 HydrophobicContact SD-CG 4.15Å
383A94.7Very high95.9Very high62 Ų6241.2 Ų41.251%0.51222%0.218SC..Hα-helixtrans-66.3-42.5-177.300000111.6D381 T387D381-A383 WeakPolarHBondContact OD1-CB 3.2Å; D381-A383 PolarHBondContact OD1-N 3.21Å; A383-T387 PolarHBondContact O-N 3.09Å; A383-T387 VanDerWaalsContact O-N 3.09Å; A383-T387 PolarHBondContact O-OG1 3.39Å
384L94.4Very high95.9Very high66 Ų6644.9 Ų44.935%0.34625%0.248SC..Hα-helixtrans-60.9-50173.9177.362.5000111.1V378 F379 D381 K386 T387 V388V378-L384 HydrophobicContact CB-CD2 4.37Å; V378-L384 HydrophobicContact CG2-CD2 3.92Å; V378-L384 HydrophobicContact CG2-CG 4.12Å; F379-L384 HydrophobicContact CB-CD2 4.01Å; F379-L384 HydrophobicContact CD2-CD2 4.33Å; D381-L384 HydrophobicContact CB-CB 4.07Å; D381-L384 PolarHBondContact OD1-N 2.99Å; L384-K386 PolarHBondContact O-N 3.47Å; L384-T387 WeakPolarHBondContact O-CB 3.32Å; L384-T387 PolarHBondContact O-N 3.07Å; L384-T387 VanDerWaalsContact O-N 3.16Å; L384-V388 HydrophobicContact CD1-CG2 4.35Å; L384-V388 WeakPolarHBondContact O-CG2 3.48Å; L384-V388 PolarHBondContact O-N 3.38Å
385K96.6Very high95.8Very high0 Ų047.1 Ų47.10%026%0.259CS..Hα-helixtrans-63.4-39.9-179-72.9-176.5-171-71.30112E376 V378 F379 E380 D381 M382 T387 V388 F389 L409 L414E376-K385 IonicContact OE1-NZ 2.92Å; E376-K385 PolarHBondContact OE1-NZ 3Å; E376-K385 WeakPolarHBondContact OE2-CD 3.4Å; E376-K385 IonicContact OE2-NZ 2.67Å; E376-K385 PolarHBondContact OE2-NZ 2.97Å; V378-K385 HydrophobicContact CG2-CG 4.07Å; V378-K385 PolarHBondContact O-NZ 3.36Å; F379-K385 VanDerWaalsContact O-CE 3.27Å; F379-K385 WeakPolarHBondContact O-CE 3.19Å; E380-K385 WeakPolarHBondContact OE2-CE 3.48Å; E380-K385 IonicContact OE2-NZ 3.8Å; D381-K385 WeakPolarHBondContact O-CB 3.35Å; D381-K385 WeakPolarHBondContact O-CG 3.31Å; D381-K385 PolarHBondContact O-N 3.3Å; M382-K385 PolarHBondContact O-N 2.88Å; K385-T387 VanDerWaalsContact C-N 3.33Å; K385-T387 PolarHBondContact O-N 3.23Å; K385-V388 PolarHBondContact O-N 2.83Å; K385-F389 WeakPolarHBondContact O-CB 3.48Å; K385-F389 VanDerWaalsContact O-CD2 3.31Å; K385-F389 WeakPolarHBondContact O-CD2 3.47Å; K385-F389 PolarHBondContact O-N 3.2Å; K385-L409 HydrophobicContact CD-CD1 3.69Å; K385-L414 HydrophobicContact CB-CD1 4.36Å; K385-L414 HydrophobicContact CB-CD2 3.51Å; K385-L414 HydrophobicContact CD-CD1 4.26Å
386K97.8Very high95.8Very high53 Ų5347.8 Ų47.823%0.2326%0.263CS..Hα-helixtrans-55.7-48.5171.7-75-176.3174.5178.60111.6M382 L384 V388 F389 Q390 E413 L414 Q417M382-K386 HydrophobicContact CG-CD 4.41Å; M382-K386 HydrophobicContact CG-CG 4.42Å; M382-K386 WeakPolarHBondContact O-CB 3.34Å; M382-K386 VanDerWaalsContact O-CG 3.28Å; M382-K386 WeakPolarHBondContact O-CG 3.22Å; M382-K386 PolarHBondContact O-N 3.47Å; M382-K386 HydrophobicContact SD-CG 4.08Å; L384-K386 PolarHBondContact O-N 3.47Å; K386-V388 VanDerWaalsContact C-N 3.33Å; K386-V388 PolarHBondContact O-N 3.33Å; K386-F389 PolarHBondContact O-N 3.18Å; K386-Q390 WeakPolarHBondContact O-CG 3.43Å; K386-Q390 PolarHBondContact O-N 3.26Å; K386-E413 VanDerWaalsContact CE-CD 3.47Å; K386-E413 WeakPolarHBondContact CE-OE1 3.45Å; K386-E413 IonicContact NZ-OE1 3.1Å; K386-E413 PolarHBondContact NZ-OE1 2.79Å; K386-L414 HydrophobicContact CG-CD2 4.14Å; K386-Q417 HydrophobicContact CB-CG 3.96Å; K386-Q417 HydrophobicContact CD-CG 4.18Å; K386-Q417 HydrophobicContact CG-CG 3.74Å
387T97.1Very high95.6Very high65 Ų6550.9 Ų50.940%0.39928%0.277SS..Hα-helixtrans-58.5-45.8177.8-55.10000111.2A383 L384 K385 Q390 Q391A383-T387 PolarHBondContact O-N 3.09Å; A383-T387 VanDerWaalsContact O-N 3.09Å; A383-T387 PolarHBondContact O-OG1 3.39Å; L384-T387 WeakPolarHBondContact O-CB 3.32Å; L384-T387 PolarHBondContact O-N 3.07Å; L384-T387 VanDerWaalsContact O-N 3.16Å; K385-T387 VanDerWaalsContact C-N 3.33Å; K385-T387 PolarHBondContact O-N 3.23Å; T387-Q390 PolarHBondContact O-N 3.44Å; T387-Q391 WeakPolarHBondContact O-CG 3.36Å; T387-Q391 PolarHBondContact O-N 3.21Å
388V97.1Very high95.5Very high15 Ų1556.4 Ų56.49%0.09131%0.312CS..Hα-helixtrans-62-45.1176.8171.60000111.1I302 E376 V378 L384 K385 K386 Q390 Q391 L392I302-V388 HydrophobicContact CG2-CG1 4.35Å; E376-V388 HydrophobicContact CG-CG1 3.98Å; V378-V388 HydrophobicContact CG2-CG2 4.33Å; L384-V388 HydrophobicContact CD1-CG2 4.35Å; L384-V388 WeakPolarHBondContact O-CG2 3.48Å; L384-V388 PolarHBondContact O-N 3.38Å; K385-V388 PolarHBondContact O-N 2.83Å; K386-V388 VanDerWaalsContact C-N 3.33Å; K386-V388 PolarHBondContact O-N 3.33Å; V388-Q390 PolarHBondContact O-N 3.06Å; V388-Q391 PolarHBondContact O-N 3.47Å; V388-L392 HydrophobicContact CG1-CD1 3.7Å; V388-L392 HydrophobicContact CG1-CG 4.13Å; V388-L392 WeakPolarHBondContact O-CB 3.35Å; V388-L392 VanDerWaalsContact O-CG 3.23Å; V388-L392 WeakPolarHBondContact O-CG 3.31Å; V388-L392 PolarHBondContact O-N 3.06Å
389F98.1Very high95.4Very high0 Ų055.9 Ų55.90%031%0.313CS..Hα-helixtrans-64.9-38.2179.5-92.1-108.6000112.8E376 K385 K386 L392 S393 L402 T404 L414 T418 V424E376-F389 HydrophobicContact CB-CE2 3.95Å; E376-F389 HydrophobicContact CG-CE2 3.98Å; K385-F389 WeakPolarHBondContact O-CB 3.48Å; K385-F389 VanDerWaalsContact O-CD2 3.31Å; K385-F389 WeakPolarHBondContact O-CD2 3.47Å; K385-F389 PolarHBondContact O-N 3.2Å; K386-F389 PolarHBondContact O-N 3.18Å; F389-L392 PolarHBondContact O-N 3.43Å; F389-S393 VanDerWaalsContact O-CB 3.28Å; F389-S393 WeakPolarHBondContact O-CB 3.48Å; F389-S393 PolarHBondContact O-N 3.29Å; F389-L402 HydrophobicContact CD1-CB 4.39Å; F389-L402 HydrophobicContact CD1-CD1 4.41Å; F389-L402 HydrophobicContact CE1-CB 3.89Å; F389-T404 HydrophobicContact CZ-CG2 4.32Å; F389-L414 HydrophobicContact CD1-CB 4.23Å; F389-L414 HydrophobicContact CD2-CD2 4.49Å; F389-L414 HydrophobicContact CE1-CB 4.35Å; F389-L414 HydrophobicContact CE2-CD1 4.22Å; F389-L414 HydrophobicContact CG-CB 4.33Å; F389-L414 HydrophobicContact CZ-CD1 4.47Å; F389-T418 HydrophobicContact CB-CG2 4.15Å; F389-T418 HydrophobicContact CD1-CG2 3.79Å; F389-T418 HydrophobicContact CG-CG2 4.49Å; F389-V424 HydrophobicContact CE1-CG1 3.85Å; F389-V424 HydrophobicContact CE1-CG2 4.49Å
390Q97.8Very high95.7Very high94 Ų9449 Ų4944%0.43928%0.283SS..Hα-helixtrans-61.1-47.3172.3-69.5173.8-7.800111.3K386 T387 V388 S393 A394 Q417K386-Q390 WeakPolarHBondContact O-CG 3.43Å; K386-Q390 PolarHBondContact O-N 3.26Å; T387-Q390 PolarHBondContact O-N 3.44Å; V388-Q390 PolarHBondContact O-N 3.06Å; Q390-S393 PolarHBondContact O-N 2.74Å; Q390-A394 PolarHBondContact O-N 3.15Å; Q390-A394 VanDerWaalsContact O-N 3.13Å; Q390-Q417 HydrophobicContact CG-CB 3.83Å
391Q97.3Very high96.1Very high92 Ų9245.2 Ų45.243%0.4327%0.266SS..Hα-helixtrans-62.3-46.5178.2-72.4176.3-6.800111.8T387 V388 S393 A394 I395T387-Q391 WeakPolarHBondContact O-CG 3.36Å; T387-Q391 PolarHBondContact O-N 3.21Å; V388-Q391 PolarHBondContact O-N 3.47Å; Q391-S393 VanDerWaalsContact C-N 3.33Å; Q391-S393 PolarHBondContact O-N 2.93Å; Q391-A394 PolarHBondContact O-N 2.92Å; Q391-A394 VanDerWaalsContact O-N 3.17Å; Q391-I395 WeakPolarHBondContact O-CB 3.44Å; Q391-I395 VanDerWaalsContact O-CG1 3.29Å; Q391-I395 WeakPolarHBondContact O-CG1 3.31Å; Q391-I395 PolarHBondContact O-N 3.37Å
392L97.6Very high96.4Very high2 Ų241.7 Ų41.71%0.0125%0.247CC..Hα-helixtrans-62.5-41.2177.9-69.5173.7000111.6I302 V365 V368 V374 V388 F389 A394 I395 C396 L402I302-L392 HydrophobicContact CD1-CD2 4.27Å; I302-L392 HydrophobicContact CG1-CD1 4.4Å; I302-L392 HydrophobicContact CG1-CD2 4.19Å; V365-L392 HydrophobicContact CG1-CD2 4.05Å; V368-L392 HydrophobicContact CG2-CD2 3.68Å; V374-L392 HydrophobicContact CG1-CD1 3.86Å; V374-L392 HydrophobicContact CG1-CD2 4.1Å; V374-L392 HydrophobicContact CG2-CD2 4.47Å; V388-L392 HydrophobicContact CG1-CD1 3.7Å; V388-L392 HydrophobicContact CG1-CG 4.13Å; V388-L392 WeakPolarHBondContact O-CB 3.35Å; V388-L392 VanDerWaalsContact O-CG 3.23Å; V388-L392 WeakPolarHBondContact O-CG 3.31Å; V388-L392 PolarHBondContact O-N 3.06Å; F389-L392 PolarHBondContact O-N 3.43Å; L392-A394 PolarHBondContact O-N 3.39Å; L392-I395 PolarHBondContact O-N 3.31Å; L392-C396 VanDerWaalsContact O-CB 3.28Å; L392-C396 WeakPolarHBondContact O-CB 3.44Å; L392-C396 PolarHBondContact O-N 3.36Å; L392-C396 PolarHBondContact O-SG 3.34Å; L392-L402 HydrophobicContact CB-CD1 4.3Å; L392-L402 HydrophobicContact CB-CD2 3.95Å; L392-L402 HydrophobicContact CD1-CD2 4.38Å
393S96.7Very high96.7Very high21 Ų2140.2 Ų40.215%0.14724%0.24CC..Hα-helixtrans-62.5-28.4176.2-172.40000112.9F389 Q390 Q391 Q419F389-S393 VanDerWaalsContact O-CB 3.28Å; F389-S393 WeakPolarHBondContact O-CB 3.48Å; F389-S393 PolarHBondContact O-N 3.29Å; Q390-S393 PolarHBondContact O-N 2.74Å; Q391-S393 VanDerWaalsContact C-N 3.33Å; Q391-S393 PolarHBondContact O-N 2.93Å; S393-Q419 PolarHBondContact OG-N 3.35Å
394A96.9Very high96.9Very high77 Ų7737.3 Ų37.364%0.63622%0.216SC*.Hα-helixtrans-86.8-33.9178.200000113.2Q390 Q391 L392Q390-A394 PolarHBondContact O-N 3.15Å; Q390-A394 VanDerWaalsContact O-N 3.13Å; Q391-A394 PolarHBondContact O-N 2.92Å; Q391-A394 VanDerWaalsContact O-N 3.17Å; L392-A394 PolarHBondContact O-N 3.39Å
395I97Very high97Very high47 Ų4734.7 Ų34.724%0.24120%0.202CC..Hα-helixtrans-85.7-40.3-173.4-70167.7000112.3V365 V368 A369 Q391 L392V365-I395 HydrophobicContact CB-CD1 4.4Å; V365-I395 HydrophobicContact CG1-CD1 3.89Å; V368-I395 HydrophobicContact CG2-CG2 4.3Å; A369-I395 WeakPolarHBondContact CA-O 3.39Å; A369-I395 HydrophobicContact CB-CG2 4.12Å; Q391-I395 WeakPolarHBondContact O-CB 3.44Å; Q391-I395 VanDerWaalsContact O-CG1 3.29Å; Q391-I395 WeakPolarHBondContact O-CG1 3.31Å; Q391-I395 PolarHBondContact O-N 3.37Å; L392-I395 PolarHBondContact O-N 3.31Å
396C97.5Very high97Very high13 Ų1334.7 Ų34.79%0.08820%0.202CC..SBendtrans-74.7150.2-172.1-62.80000111.7L392 V400L392-C396 VanDerWaalsContact O-CB 3.28Å; L392-C396 WeakPolarHBondContact O-CB 3.44Å; L392-C396 PolarHBondContact O-N 3.36Å; L392-C396 PolarHBondContact O-SG 3.34Å; C396-V400 HydrophobicContact CB-CB 3.78Å; C396-V400 HydrophobicContact CB-CG1 3.35Å; C396-V400 HydrophobicContact CB-CG2 3.97Å
397K95.2Very high96.5Very high66 Ų6634.5 Ų34.529%0.28721%0.208SC..PPolyproline II helixtrans-56.4149.8173.266.4-177.8176.8-167.70112A369 D370 V371 D372 G399 V400A369-K397 PolarHBondContact O-N 3.33Å; D370-K397 IonicContact OD1-NZ 3.96Å; D370-K397 PolarHBondContact OD1-NZ 3.14Å; V371-K397 WeakPolarHBondContact O-CE 3.16Å; D372-K397 WeakPolarHBondContact OD1-CE 3.45Å; D372-K397 IonicContact OD1-NZ 2.95Å; D372-K397 PolarHBondContact OD1-NZ 3.19Å; K397-G399 PolarHBondContact O-N 2.87Å; K397-V400 WeakPolarHBondContact O-CB 3.49Å; K397-V400 PolarHBondContact O-N 2.74Å
398P94.1Very high95.9Very high130 Ų13032.4 Ų32.484%0.84420%0.199SC*.THydrogen-bonded Turntrans-51.7139.4173.4-27.735.2000112.1
399G93.3Very high95.7Very high21 Ų2133.6 Ų33.622%0.21620%0.204CC..THydrogen-bonded Turntrans79.111.3-178.700000114.8R294 K397R294-G399 PolarHBondContact NH1-O 2.92Å; R294-G399 PolarHBondContact NH2-O 2.81Å; K397-G399 PolarHBondContact O-N 2.87Å
400V97Very high95.5Very high13 Ų1337 Ų378%0.07922%0.222CC..  trans-62.5146.1169.867.30000111V371 V374 C396 K397 L402 L423V371-V400 HydrophobicContact CG2-CG2 4.3Å; V374-V400 HydrophobicContact CG2-CG2 4.09Å; C396-V400 HydrophobicContact CB-CB 3.78Å; C396-V400 HydrophobicContact CB-CG1 3.35Å; C396-V400 HydrophobicContact CB-CG2 3.97Å; K397-V400 WeakPolarHBondContact O-CB 3.49Å; K397-V400 PolarHBondContact O-N 2.74Å; V400-L402 HydrophobicContact CG1-CD2 3.93Å; V400-L402 HydrophobicContact CG1-CG 4.15Å; V400-L402 HydrophobicContact CG2-CD2 4.24Å; V400-L423 WeakPolarHBondContact O-CD1 3.39Å
401L97.8Very high95.4Very high1 Ų132.5 Ų32.51%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-91.6127.8169.9-73.768.4000109.2R294 D372 L373 V374 V451 T454R294-L401 HydrophobicContact CG-CD1 4.42Å; D372-L401 PolarHBondContact O-N 2.95Å; D372-L401 VanDerWaalsContact O-N 3.1Å; L373-L401 CarbonylContact C-O 3.39Å; L373-L401 WeakPolarHBondContact CA-O 3.43Å; L373-L401 HydrophobicContact CB-CB 4.11Å; L373-L401 HydrophobicContact CD1-CB 3.86Å; L373-L401 HydrophobicContact CD1-CD2 4Å; L373-L401 HydrophobicContact CG-CB 3.92Å; V374-L401 PolarHBondContact N-O 2.8Å; L401-V451 HydrophobicContact CB-CG2 4.35Å; L401-V451 HydrophobicContact CD2-CB 4.46Å; L401-V451 HydrophobicContact CD2-CG2 3.68Å; L401-V451 HydrophobicContact CG-CG2 3.81Å; L401-T454 HydrophobicContact CD2-CG2 3.52Å
402L98.4Very high95.3Very high6 Ų629.6 Ų29.63%0.03119%0.189CC..EExtended strand (participates in β ladder)trans-108.8113.7177.7-60179.8000109.4V374 F389 L392 V400 T418 L423 V424 V425V374-L402 HydrophobicContact CB-CD2 3.92Å; V374-L402 HydrophobicContact CG2-CD2 3.92Å; F389-L402 HydrophobicContact CD1-CB 4.39Å; F389-L402 HydrophobicContact CD1-CD1 4.41Å; F389-L402 HydrophobicContact CE1-CB 3.89Å; L392-L402 HydrophobicContact CB-CD1 4.3Å; L392-L402 HydrophobicContact CB-CD2 3.95Å; L392-L402 HydrophobicContact CD1-CD2 4.38Å; V400-L402 HydrophobicContact CG1-CD2 3.93Å; V400-L402 HydrophobicContact CG1-CG 4.15Å; V400-L402 HydrophobicContact CG2-CD2 4.24Å; L402-T418 HydrophobicContact CD1-CG2 3.9Å; L402-L423 PolarHBondContact N-O 3.18Å; L402-L423 VanDerWaalsContact N-O 3.08Å; L402-V424 HydrophobicContact CB-CG2 4.27Å; L402-V424 WeakPolarHBondContact O-CA 3.17Å; L402-V425 PolarHBondContact O-N 3.49Å
403C98.4Very high95.2Very high1 Ų132.9 Ų32.91%0.00720%0.204CC..EExtended strand (participates in β ladder)trans-111.6140.4-178.8-55.80000110.9V374 I375 E376 V425 M427V374-C403 WeakPolarHBondContact O-CA 3.18Å; V374-C403 WeakPolarHBondContact O-CB 3.24Å; V374-C403 PolarHBondContact O-N 3.17Å; I375-C403 CarbonylContact C-O 3.57Å; I375-C403 WeakPolarHBondContact CA-O 3.45Å; I375-C403 HydrophobicContact CG1-CB 4.27Å; E376-C403 WeakPolarHBondContact CB-O 3.44Å; E376-C403 PolarHBondContact N-O 3.46Å; C403-V425 WeakPolarHBondContact CA-O 3.4Å; C403-M427 HydrophobicContact CB-CB 4.17Å; C403-M427 HydrophobicContact CB-CG 3.82Å; C403-M427 HydrophobicContact CB-SD 3.9Å; C403-M427 VanDerWaalsContact SG-SD 3.63Å
404T98.4Very high95.2Very high0 Ų031.9 Ų31.90%020%0.197CC..EExtended strand (participates in β ladder)trans-112.7141.1171179.70000111.1E376 F389 T406 I411 L414 V425 M427E376-T404 WeakPolarHBondContact OE2-CB 3.44Å; E376-T404 PolarHBondContact OE2-OG1 2.99Å; F389-T404 HydrophobicContact CZ-CG2 4.32Å; T404-T406 VanDerWaalsContact C-N 3.33Å; T404-T406 HydrophobicContact CG2-CG2 3.59Å; T404-T406 PolarHBondContact OG1-N 3.2Å; T404-T406 VanDerWaalsContact OG1-N 3.13Å; T404-I411 HydrophobicContact CG2-CG1 4.06Å; T404-L414 HydrophobicContact CG2-CD1 3.9Å; T404-V425 PolarHBondContact N-O 3.11Å; T404-M427 CarbonylContact O-C 3.21Å; T404-M427 PolarHBondContact O-N 2.91Å
405N97.9Very high95.2Very high12 Ų1228.4 Ų28.46%0.06417%0.168CC..  trans-92.614.5171.5-17968.8000112.4I311 E376 A377 M427 F429I311-N405 HydrophobicContact CD1-CB 4.25Å; E376-N405 VanDerWaalsContact O-CB 3.29Å; E376-N405 WeakPolarHBondContact O-CB 3.26Å; E376-N405 PolarHBondContact O-N 3.5Å; A377-N405 HydrophobicContact CB-CB 4.2Å; N405-M427 WeakPolarHBondContact CA-O 3.19Å; N405-M427 PolarHBondContact OD1-O 3.37Å; N405-F429 WeakPolarHBondContact OD1-CB 3.34Å; N405-F429 WeakPolarHBondContact OD1-CD2 3.23Å; N405-F429 PolarHBondContact OD1-N 2.86Å
406T95Very high95.2Very high0 Ų028.9 Ų28.90%018%0.176CC..  trans-50.8144.9175.6178.50000111.7E380 T404 G408 L409 I411 H428 F475E380-T406 WeakPolarHBondContact OE1-CA 3.38Å; E380-T406 WeakPolarHBondContact OE1-CB 3.47Å; E380-T406 PolarHBondContact OE1-OG1 2.93Å; E380-T406 WeakPolarHBondContact OE2-CA 3.49Å; E380-T406 PolarHBondContact OE2-OG1 3.33Å; T404-T406 VanDerWaalsContact C-N 3.33Å; T404-T406 HydrophobicContact CG2-CG2 3.59Å; T404-T406 PolarHBondContact OG1-N 3.2Å; T404-T406 VanDerWaalsContact OG1-N 3.13Å; T406-G408 PolarHBondContact OG1-N 2.93Å; T406-L409 HydrophobicContact CG2-CB 4.32Å; T406-L409 WeakPolarHBondContact OG1-CB 3.29Å; T406-L409 WeakPolarHBondContact OG1-CG 3.34Å; T406-L409 PolarHBondContact OG1-N 3.39Å; T406-I411 HydrophobicContact CG2-CG1 4.22Å; T406-H428 PolarHBondContact O-CD2 3.34Å; T406-F475 HydrophobicContact CG2-CZ 4.23Å; T406-F475 VanDerWaalsContact O-CE2 3.24Å; T406-F475 WeakPolarHBondContact O-CE2 3.18Å
407S89.1Confident95.1Very high49 Ų4930.9 Ų30.934%0.34318%0.184SC..SBendtrans-96.6-3.8-178-70.80000113.7E380 H428 N478E380-S407 PolarHBondContact OE1-N 2.99Å; S407-H428 PolarHBondContact OG-NE2 2.73Å; S407-N478 PolarHBondContact O-ND2 3.11Å; S407-N478 VanDerWaalsContact O-ND2 3.12Å
408G83.4Confident95.2Very high21 Ų2128.5 Ų28.522%0.21618%0.175CC..SBendtrans175.410.2174.200000116.9E380 T406E380-G408 PolarHBondContact OE1-N 3.46Å; T406-G408 PolarHBondContact OG1-N 2.93Å
409L92Very high95.3Very high39 Ų3930.1 Ų30.120%0.20417%0.172CC..SBendtrans-74.2152.3169.9-61.1174000110.3E380 M382 K385 T406 I411E380-L409 HydrophobicContact CG-CD1 4.19Å; E380-L409 HydrophobicContact CG-CG 4.34Å; M382-L409 HydrophobicContact CB-CD2 4.48Å; M382-L409 HydrophobicContact CE-CB 3.7Å; M382-L409 HydrophobicContact CE-CD2 4.27Å; M382-L409 HydrophobicContact CE-CG 4.39Å; K385-L409 HydrophobicContact CD-CD1 3.69Å; T406-L409 HydrophobicContact CG2-CB 4.32Å; T406-L409 WeakPolarHBondContact OG1-CB 3.29Å; T406-L409 WeakPolarHBondContact OG1-CG 3.34Å; T406-L409 PolarHBondContact OG1-N 3.39Å; L409-I411 PolarHBondContact O-N 2.82Å
410D95.1Very high95.4Very high71 Ų7131.1 Ų31.138%0.3818%0.175SC..  trans-69.1115.8-179.3-171.2-13.3000111.1M382 D412 E413 L414 N471M382-D410 HydrophobicContact CE-CB 4.36Å; D410-D412 VanDerWaalsContact C-N 3.29Å; D410-D412 PolarHBondContact O-N 3.24Å; D410-D412 WeakPolarHBondContact OD1-CB 3.31Å; D410-D412 PolarHBondContact OD1-N 2.84Å; D410-E413 HydrophobicContact CB-CB 4.07Å; D410-E413 PolarHBondContact O-N 3.11Å; D410-L414 PolarHBondContact O-N 3.41Å; D410-N471 PolarHBondContact OD1-ND2 2.92Å
411I95.2Very high95.4Very high0 Ų031.9 Ų31.90%018%0.18CC..Hα-helixtrans-70.6-29.1-179.4-61.6171.7000111.2T404 T406 L409 E413 L414 A415 V424 V442 F475T404-I411 HydrophobicContact CG2-CG1 4.06Å; T406-I411 HydrophobicContact CG2-CG1 4.22Å; L409-I411 PolarHBondContact O-N 2.82Å; I411-E413 VanDerWaalsContact C-N 3.3Å; I411-E413 PolarHBondContact O-N 3.49Å; I411-L414 PolarHBondContact O-N 2.79Å; I411-A415 WeakPolarHBondContact O-CB 3.37Å; I411-A415 PolarHBondContact O-N 3.48Å; I411-V424 HydrophobicContact CG2-CG1 4.08Å; I411-V442 HydrophobicContact CD1-CB 3.39Å; I411-V442 HydrophobicContact CD1-CG1 3.41Å; I411-V442 VanDerWaalsContact CD1-CG1 3.41Å; I411-V442 HydrophobicContact CD1-CG2 4.22Å; I411-F475 HydrophobicContact CD1-CE1 4Å; I411-F475 HydrophobicContact CD1-CZ 4.2Å
412D94.4Very high95.3Very high32 Ų3235.6 Ų35.617%0.17120%0.198CC..Hα-helixtrans-69.9-33.4178.9-69.3-51.7000111.7D410 A415 S416 G444 P445 R446 N471D410-D412 VanDerWaalsContact C-N 3.29Å; D410-D412 PolarHBondContact O-N 3.24Å; D410-D412 WeakPolarHBondContact OD1-CB 3.31Å; D410-D412 PolarHBondContact OD1-N 2.84Å; D412-A415 PolarHBondContact O-N 3.48Å; D412-S416 WeakPolarHBondContact O-CB 3.32Å; D412-S416 PolarHBondContact O-N 3.26Å; D412-G444 WeakPolarHBondContact OD1-CA 3.38Å; D412-P445 WeakPolarHBondContact OD1-CD 3.42Å; D412-P445 WeakPolarHBondContact OD2-CD 3.31Å; D412-R446 PolarHBondContact O-NH2 2.8Å; D412-N471 PolarHBondContact N-ND2 2.81Å; D412-N471 PolarHBondContact OD2-ND2 2.86Å
413E96.3Very high95.3Very high71 Ų7136.1 Ų36.133%0.33220%0.2SC..Hα-helixtrans-64.6-41172.9-173.4170.1-173.700110.8M382 K386 D410 I411 S416M382-E413 HydrophobicContact CE-CB 4.09Å; M382-E413 HydrophobicContact CE-CG 4.2Å; M382-E413 WeakPolarHBondContact CE-OE2 3.49Å; M382-E413 HydrophobicContact SD-CB 4.32Å; M382-E413 HydrophobicContact SD-CG 3.96Å; K386-E413 VanDerWaalsContact CE-CD 3.47Å; K386-E413 WeakPolarHBondContact CE-OE1 3.45Å; K386-E413 IonicContact NZ-OE1 3.1Å; K386-E413 PolarHBondContact NZ-OE1 2.79Å; D410-E413 HydrophobicContact CB-CB 4.07Å; D410-E413 PolarHBondContact O-N 3.11Å; I411-E413 VanDerWaalsContact C-N 3.3Å; I411-E413 PolarHBondContact O-N 3.49Å; E413-S416 PolarHBondContact O-OG 3.2Å
414L96.4Very high95.3Very high0 Ų036.1 Ų36.10%020%0.2CC..Hα-helixtrans-67.9-42.4173.1-61.7177.1000112.3M382 K385 K386 F389 T404 D410 I411 S416 Q417M382-L414 HydrophobicContact SD-CD2 3.6Å; M382-L414 HydrophobicContact SD-CG 4.15Å; K385-L414 HydrophobicContact CB-CD1 4.36Å; K385-L414 HydrophobicContact CB-CD2 3.51Å; K385-L414 HydrophobicContact CD-CD1 4.26Å; K386-L414 HydrophobicContact CG-CD2 4.14Å; F389-L414 HydrophobicContact CD1-CB 4.23Å; F389-L414 HydrophobicContact CD2-CD2 4.49Å; F389-L414 HydrophobicContact CE1-CB 4.35Å; F389-L414 HydrophobicContact CE2-CD1 4.22Å; F389-L414 HydrophobicContact CG-CB 4.33Å; F389-L414 HydrophobicContact CZ-CD1 4.47Å; T404-L414 HydrophobicContact CG2-CD1 3.9Å; D410-L414 PolarHBondContact O-N 3.41Å; I411-L414 PolarHBondContact O-N 2.79Å; L414-S416 VanDerWaalsContact C-N 3.25Å; L414-S416 PolarHBondContact O-N 3.31Å; L414-Q417 WeakPolarHBondContact O-CB 3.33Å; L414-Q417 PolarHBondContact O-N 3.44Å; L414-Q417 VanDerWaalsContact O-N 3.1Å
415A96.8Very high95.3Very high3 Ų336.1 Ų36.13%0.02520%0.2CC..Hα-helixtrans-61.9-34.3178.200000112.1I411 D412 Q417 T418 P421 V424I411-A415 WeakPolarHBondContact O-CB 3.37Å; I411-A415 PolarHBondContact O-N 3.48Å; D412-A415 PolarHBondContact O-N 3.48Å; A415-Q417 PolarHBondContact O-N 2.85Å; A415-Q417 VanDerWaalsContact O-N 3.11Å; A415-T418 PolarHBondContact O-N 3.16Å; A415-T418 VanDerWaalsContact O-N 3.17Å; A415-T418 PolarHBondContact O-OG1 3.01Å; A415-P421 HydrophobicContact CB-CB 4.11Å; A415-V424 HydrophobicContact CB-CB 3.75Å; A415-V424 HydrophobicContact CB-CG1 3.81Å; A415-V424 HydrophobicContact CB-CG2 4.05Å
416S96.9Very high95.3Very high58 Ų5835.6 Ų35.641%0.40620%0.198SC..THydrogen-bonded Turntrans-63.1-15.7177.175.70000114.2D412 E413 L414 T418D412-S416 WeakPolarHBondContact O-CB 3.32Å; D412-S416 PolarHBondContact O-N 3.26Å; E413-S416 PolarHBondContact O-OG 3.2Å; L414-S416 VanDerWaalsContact C-N 3.25Å; L414-S416 PolarHBondContact O-N 3.31Å; S416-T418 VanDerWaalsContact C-N 3.34Å
417Q97.1Very high95.5Very high54 Ų5435.6 Ų35.625%0.25220%0.198SC..THydrogen-bonded Turntrans-91.54.5-179.7-55.1-54.6-59.300113.3K386 Q390 L414 A415K386-Q417 HydrophobicContact CB-CG 3.96Å; K386-Q417 HydrophobicContact CD-CG 4.18Å; K386-Q417 HydrophobicContact CG-CG 3.74Å; Q390-Q417 HydrophobicContact CG-CB 3.83Å; L414-Q417 WeakPolarHBondContact O-CB 3.33Å; L414-Q417 PolarHBondContact O-N 3.44Å; L414-Q417 VanDerWaalsContact O-N 3.1Å; A415-Q417 PolarHBondContact O-N 2.85Å; A415-Q417 VanDerWaalsContact O-N 3.11Å
418T96.5Very high95.9Very high17 Ų1733.6 Ų33.610%0.10418%0.183CC..SBendtrans-117.8159.1-177.681.50000111.2F389 L402 A415 S416 S420 V424F389-T418 HydrophobicContact CB-CG2 4.15Å; F389-T418 HydrophobicContact CD1-CG2 3.79Å; F389-T418 HydrophobicContact CG-CG2 4.49Å; L402-T418 HydrophobicContact CD1-CG2 3.9Å; A415-T418 PolarHBondContact O-N 3.16Å; A415-T418 VanDerWaalsContact O-N 3.17Å; A415-T418 PolarHBondContact O-OG1 3.01Å; S416-T418 VanDerWaalsContact C-N 3.34Å; T418-S420 VanDerWaalsContact C-N 3.25Å; T418-S420 PolarHBondContact O-N 3.33Å; T418-S420 PolarHBondContact OG1-N 2.71Å; T418-V424 HydrophobicContact CG2-CG2 4.17Å
419Q95Very high96.6Very high164 Ų16432.7 Ų32.777%0.76617%0.173SC*.SBendtrans-75.5-15.9176.4-63.5178.45.100112.9S393S393-Q419 PolarHBondContact OG-N 3.35Å
420S95.9Very high96.7Very high42 Ų4231.6 Ų31.629%0.29417%0.167SC..  trans-133.367.7-177.3-61.40000110.3T418 E422 L423T418-S420 VanDerWaalsContact C-N 3.25Å; T418-S420 PolarHBondContact O-N 3.33Å; T418-S420 PolarHBondContact OG1-N 2.71Å; S420-E422 VanDerWaalsContact C-OE2 3.26Å; S420-E422 WeakPolarHBondContact CA-OE2 3.48Å; S420-E422 WeakPolarHBondContact CB-OE1 3.26Å; S420-E422 PolarHBondContact O-N 3.24Å; S420-E422 VanDerWaalsContact O-N 3.12Å; S420-L423 PolarHBondContact O-N 2.88Å
421P96.9Very high96.4Very high28 Ų2831.3 Ų31.318%0.18217%0.174CC..G310 helixtrans-56.9-26.3-179.422.9-34.3000113.1A415 L423 V424A415-P421 HydrophobicContact CB-CB 4.11Å; P421-L423 PolarHBondContact O-N 2.83Å; P421-V424 WeakPolarHBondContact O-CB 3.33Å; P421-V424 PolarHBondContact O-N 3.15Å
422E97.1Very high96.2Very high80 Ų8034.5 Ų34.537%0.37420%0.195SC..G310 helixtrans-69.1-13.5177.172.2-72.7169.900114.8S420 R446 S448 V451S420-E422 VanDerWaalsContact C-OE2 3.26Å; S420-E422 WeakPolarHBondContact CA-OE2 3.48Å; S420-E422 WeakPolarHBondContact CB-OE1 3.26Å; S420-E422 PolarHBondContact O-N 3.24Å; S420-E422 VanDerWaalsContact O-N 3.12Å; E422-R446 VanDerWaalsContact CA-O 3.22Å; E422-R446 WeakPolarHBondContact CA-O 3.48Å; E422-R446 WeakPolarHBondContact CB-O 3.46Å; E422-S448 WeakPolarHBondContact O-CB 3.25Å; E422-S448 PolarHBondContact O-N 3.06Å; E422-S448 PolarHBondContact O-OG 2.78Å; E422-V451 WeakPolarHBondContact O-CG1 3.45Å
423L97.6Very high96.2Very high17 Ų1733 Ų339%0.08919%0.187CC..G310 helixtrans-102.511.1175.7-59.3-179.3000112.8V400 L402 S420 P421 V451V400-L423 WeakPolarHBondContact O-CD1 3.39Å; L402-L423 PolarHBondContact N-O 3.18Å; L402-L423 VanDerWaalsContact N-O 3.08Å; S420-L423 PolarHBondContact O-N 2.88Å; P421-L423 PolarHBondContact O-N 2.83Å; L423-V451 WeakPolarHBondContact O-CG2 3.12Å
424V98.3Very high96Very high1 Ų132.7 Ų32.71%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-100.3134.6176.9-1780000110.7F389 L402 I411 A415 T418 P421 S447F389-V424 HydrophobicContact CE1-CG1 3.85Å; F389-V424 HydrophobicContact CE1-CG2 4.49Å; L402-V424 HydrophobicContact CB-CG2 4.27Å; L402-V424 WeakPolarHBondContact O-CA 3.17Å; I411-V424 HydrophobicContact CG2-CG1 4.08Å; A415-V424 HydrophobicContact CB-CB 3.75Å; A415-V424 HydrophobicContact CB-CG1 3.81Å; A415-V424 HydrophobicContact CB-CG2 4.05Å; T418-V424 HydrophobicContact CG2-CG2 4.17Å; P421-V424 WeakPolarHBondContact O-CB 3.33Å; P421-V424 PolarHBondContact O-N 3.15Å; V424-S447 PolarHBondContact O-OG 3.18Å
425V97.8Very high95.7Very high0 Ų036.9 Ų36.90%021%0.211CC..EExtended strand (participates in β ladder)trans-152.4150.2177.969.20000110.6L402 C403 T404 V441 V442 V451 V452 A455L402-V425 PolarHBondContact O-N 3.49Å; C403-V425 WeakPolarHBondContact CA-O 3.4Å; T404-V425 PolarHBondContact N-O 3.11Å; V425-V441 HydrophobicContact CG2-CG1 3.87Å; V425-V442 WeakPolarHBondContact CG2-O 3.47Å; V425-V451 HydrophobicContact CB-CG1 4.29Å; V425-V451 HydrophobicContact CB-CG2 4.08Å; V425-V451 HydrophobicContact CG1-CG2 3.72Å; V425-V452 HydrophobicContact CG2-CG2 4.48Å; V425-A455 HydrophobicContact CG1-CB 4.07Å
426G98.3Very high95.6Very high1 Ų139 Ų391%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-78.1137.3169.500000111.6V441 V442G426-V441 CarbonylContact O-C 3.52Å; G426-V441 WeakPolarHBondContact O-CA 3.14Å; G426-V442 PolarHBondContact N-O 3.46Å; G426-V442 PolarHBondContact O-N 3.13Å
427M98.5Very high95.5Very high0 Ų040.2 Ų40.20%022%0.22CC..EExtended strand (participates in β ladder)trans-124.880166.5-71.2-169.677.500107.8I375 C403 T404 N405 F429 L439 A455 M458 M462I375-M427 HydrophobicContact CD1-CE 4.45Å; I375-M427 HydrophobicContact CD1-SD 4.1Å; I375-M427 HydrophobicContact CG1-SD 4.35Å; C403-M427 HydrophobicContact CB-CB 4.17Å; C403-M427 HydrophobicContact CB-CG 3.82Å; C403-M427 HydrophobicContact CB-SD 3.9Å; C403-M427 VanDerWaalsContact SG-SD 3.63Å; T404-M427 CarbonylContact O-C 3.21Å; T404-M427 PolarHBondContact O-N 2.91Å; N405-M427 WeakPolarHBondContact CA-O 3.19Å; N405-M427 PolarHBondContact OD1-O 3.37Å; M427-F429 HydrophobicContact CB-CE2 3.95Å; M427-F429 HydrophobicContact CE-CE2 4.43Å; M427-F429 HydrophobicContact CE-CZ 4.18Å; M427-F429 WeakPolarHBondContact O-CD2 3.5Å; M427-F429 WeakPolarHBondContact O-CE2 3.37Å; M427-F429 PolarHBondContact O-N 2.8Å; M427-L439 HydrophobicContact CB-CD1 4.08Å; M427-L439 HydrophobicContact CE-CD2 3.57Å; M427-A455 HydrophobicContact CG-CB 4.22Å; M427-A455 HydrophobicContact SD-CB 4.27Å; M427-M458 HydrophobicContact CE-CB 4.36Å; M427-M458 HydrophobicContact CE-CE 3.59Å; M427-M458 HydrophobicContact SD-CE 3.66Å; M427-M462 HydrophobicContact CE-CE 4.12Å
428H98.4Very high95.6Very high6 Ų637.7 Ų37.73%0.02821%0.208CC..EExtended strand (participates in β ladder)trans-83.8103.6-175.8176.2-132000110.7T406 S407 F430 L439 E440 F475T406-H428 PolarHBondContact O-CD2 3.34Å; S407-H428 PolarHBondContact OG-NE2 2.73Å; H428-F430 AromaticContact CE1-CE2 3.92Å; H428-F430 AromaticContact CE1-CZ 3.72Å; H428-F430 AromaticContact ND1-CE2 3.72Å; H428-F430 AromaticContact ND1-CZ 3.84Å; H428-L439 WeakPolarHBondContact O-CD1 3.45Å; H428-E440 HydrophobicContact CB-CB 4.1Å; H428-E440 IonicContact CE1-OE2 2.94Å; H428-E440 IonicContact CG-OE2 3.5Å; H428-E440 PolarHBondContact N-O 3.06Å; H428-E440 IonicContact ND1-OE2 3.16Å; H428-E440 PolarHBondContact ND1-OE2 3.47Å; H428-E440 PolarHBondContact O-N 3.31Å; H428-F475 HydrophobicContact CB-CD2 4.2Å; H428-F475 HydrophobicContact CB-CE2 3.85Å; H428-F475 AromaticContact CG-CE2 3.8Å; H428-F475 AromaticContact ND1-CD2 3.67Å; H428-F475 AromaticContact ND1-CE2 3.89Å
429F98.1Very high95.7Very high2 Ų236.9 Ų36.91%0.00920%0.203CC..EExtended strand (participates in β ladder)trans-85.9156.3177-67.8-100000111.4M307 I311 I375 N405 M427 A433 L439 M462M307-F429 VanDerWaalsContact CE-C 3.49Å; M307-F429 HydrophobicContact CE-CB 3.62Å; M307-F429 WeakPolarHBondContact CE-O 3.4Å; I311-F429 HydrophobicContact CD1-CB 4.42Å; I311-F429 HydrophobicContact CD1-CD2 3.58Å; I311-F429 HydrophobicContact CD1-CE2 3.98Å; I311-F429 HydrophobicContact CD1-CG 4.05Å; I311-F429 HydrophobicContact CG1-CB 4.33Å; I311-F429 HydrophobicContact CG1-CD1 4.1Å; I311-F429 HydrophobicContact CG1-CD2 3.72Å; I311-F429 HydrophobicContact CG1-CE1 4.32Å; I311-F429 HydrophobicContact CG1-CE2 3.97Å; I311-F429 HydrophobicContact CG1-CG 3.8Å; I311-F429 HydrophobicContact CG1-CZ 4.25Å; I311-F429 HydrophobicContact CG2-CE2 4.2Å; I311-F429 HydrophobicContact CG2-CZ 4.14Å; I375-F429 HydrophobicContact CD1-CE2 4.08Å; I375-F429 HydrophobicContact CD1-CZ 4.15Å; I375-F429 HydrophobicContact CG2-CE2 4.25Å; N405-F429 WeakPolarHBondContact OD1-CB 3.34Å; N405-F429 WeakPolarHBondContact OD1-CD2 3.23Å; N405-F429 PolarHBondContact OD1-N 2.86Å; M427-F429 HydrophobicContact CB-CE2 3.95Å; M427-F429 HydrophobicContact CE-CE2 4.43Å; M427-F429 HydrophobicContact CE-CZ 4.18Å; M427-F429 WeakPolarHBondContact O-CD2 3.5Å; M427-F429 WeakPolarHBondContact O-CE2 3.37Å; M427-F429 PolarHBondContact O-N 2.8Å; F429-A433 HydrophobicContact CB-CB 4Å; F429-A433 HydrophobicContact CD1-CB 4.4Å; F429-A433 HydrophobicContact CG-CB 4.47Å; F429-L439 HydrophobicContact CD1-CD1 4.14Å; F429-L439 HydrophobicContact CD2-CD1 3.91Å; F429-L439 HydrophobicContact CE1-CD1 4.16Å; F429-L439 HydrophobicContact CE2-CD1 3.92Å; F429-L439 HydrophobicContact CG-CD1 4.01Å; F429-L439 HydrophobicContact CZ-CD1 4.05Å; F429-L439 HydrophobicContact CZ-CD2 4.47Å; F429-M462 HydrophobicContact CE1-CE 4.02Å; F429-M462 HydrophobicContact CE1-SD 4.34Å; F429-M462 HydrophobicContact CZ-CE 3.87Å; F429-M462 HydrophobicContact CZ-SD 4.41Å
430F94.4Very high95.8Very high17 Ų1729 Ų298%0.07517%0.167CC..  trans-107.3133.7179.7-75.8-103.2000111.3H428 P432 A433 M436 L438 E440 Y649H428-F430 AromaticContact CE1-CE2 3.92Å; H428-F430 AromaticContact CE1-CZ 3.72Å; H428-F430 AromaticContact ND1-CE2 3.72Å; H428-F430 AromaticContact ND1-CZ 3.84Å; F430-P432 CarbonylContact O-C 3.59Å; F430-A433 WeakPolarHBondContact O-CA 3.48Å; F430-A433 PolarHBondContact O-N 2.66Å; F430-A433 VanDerWaalsContact O-N 3.14Å; F430-M436 HydrophobicContact CB-CB 3.81Å; F430-M436 HydrophobicContact CB-CG 4.13Å; F430-M436 WeakPolarHBondContact O-CB 3.42Å; F430-M436 WeakPolarHBondContact O-CG 3.34Å; F430-L438 HydrophobicContact CD1-CD2 4.26Å; F430-L438 HydrophobicContact CD2-CB 3.89Å; F430-L438 HydrophobicContact CD2-CD2 3.71Å; F430-L438 HydrophobicContact CD2-CG 3.76Å; F430-L438 HydrophobicContact CE1-CD2 3.93Å; F430-L438 HydrophobicContact CE2-CB 4.33Å; F430-L438 HydrophobicContact CE2-CD2 3.35Å; F430-L438 HydrophobicContact CE2-CG 3.69Å; F430-L438 HydrophobicContact CG-CB 4.29Å; F430-L438 HydrophobicContact CG-CD2 4.17Å; F430-L438 HydrophobicContact CG-CG 4.48Å; F430-L438 HydrophobicContact CZ-CD2 3.47Å; F430-L438 VanDerWaalsContact CZ-CD2 3.47Å; F430-L438 HydrophobicContact CZ-CG 4.32Å; F430-E440 HydrophobicContact CE2-CG 4.08Å; F430-E440 HydrophobicContact CZ-CG 4.38Å; F430-Y649 HydrophobicContact CE1-CE1 4.44Å; F430-Y649 AromaticContact CE1-CE2 3.63Å; F430-Y649 HydrophobicContact CE1-CE2 3.63Å; F430-Y649 AromaticContact CE1-CZ 3.59Å; F430-Y649 WeakPolarHBondContact CE1-OH 3.45Å; F430-Y649 HydrophobicContact CZ-CE2 4.12Å
431A88.9Confident95.9Very high64 Ų6427 Ų2753%0.52915%0.153SC..SBendtrans-74.9137-17800000112.1M307 M436M307-A431 HydrophobicContact SD-CB 3.69Å; A431-M436 WeakPolarHBondContact O-CG 3.38Å
432P91.4Very high96Very high67 Ų6725.7 Ų25.744%0.43514%0.144SC..SBendcis-73.7125.8-9.5-16.131.6000112.5F430 H434 V435 M436F430-P432 CarbonylContact O-C 3.59Å; P432-H434 PolarHBondContact O-N 2.96Å; P432-V435 HydrophobicContact CB-CG2 4.4Å; P432-V435 PolarHBondContact O-N 3.47Å; P432-M436 PolarHBondContact O-N 2.67Å
433A93.6Very high96Very high1 Ų122.6 Ų22.61%0.00813%0.129CC..THydrogen-bonded Turntrans-62.1-20.7-169.200000115.5M307 I311 S314 F429 F430 K464M307-A433 HydrophobicContact CE-CB 4.07Å; M307-A433 HydrophobicContact SD-CB 4.4Å; I311-A433 HydrophobicContact CG1-CB 4Å; S314-A433 PolarHBondContact OG-O 2.75Å; F429-A433 HydrophobicContact CB-CB 4Å; F429-A433 HydrophobicContact CD1-CB 4.4Å; F429-A433 HydrophobicContact CG-CB 4.47Å; F430-A433 WeakPolarHBondContact O-CA 3.48Å; F430-A433 PolarHBondContact O-N 2.66Å; F430-A433 VanDerWaalsContact O-N 3.14Å; A433-K464 WeakPolarHBondContact O-CE 3.43Å; A433-K464 PolarHBondContact O-NZ 3.28Å
434H91.8Very high95.8Very high64 Ų6421.8 Ų21.830%0.29613%0.125SC..THydrogen-bonded Turntrans-87.1-10.5176.263.7-77.2000113.7V313 S314 P432V313-H434 HydrophobicContact CB-CB 4.1Å; V313-H434 HydrophobicContact CG1-CB 3.8Å; S314-H434 WeakPolarHBondContact OG-CA 3.21Å; P432-H434 PolarHBondContact O-N 2.96Å
435V91.5Very high95.4Very high88 Ų8826.4 Ų26.453%0.53315%0.154SC..THydrogen-bonded Turntrans-109.5-50.5-178.8-179.60000110.8P432 Q437P432-V435 HydrophobicContact CB-CG2 4.4Å; P432-V435 PolarHBondContact O-N 3.47Å; V435-Q437 PolarHBondContact O-N 3.04Å
436M93.4Very high95.3Very high48 Ų4831.8 Ų31.824%0.23618%0.175CC..  trans-63135.3-175.8-62.6-57.7-7800110.6F430 A431 P432 K464 L647F430-M436 HydrophobicContact CB-CB 3.81Å; F430-M436 HydrophobicContact CB-CG 4.13Å; F430-M436 WeakPolarHBondContact O-CB 3.42Å; F430-M436 WeakPolarHBondContact O-CG 3.34Å; A431-M436 WeakPolarHBondContact O-CG 3.38Å; P432-M436 PolarHBondContact O-N 2.67Å; M436-K464 WeakPolarHBondContact O-CD 3.41Å; M436-K464 WeakPolarHBondContact O-CE 3.45Å; M436-K464 PolarHBondContact O-NZ 3.28Å; M436-L647 WeakPolarHBondContact CE-O 3.22Å
437Q95.6Very high95.2Very high83 Ų8332 Ų3239%0.38818%0.176SC..  trans-87.3-21.1-174.1-64-171.8-60.100112.8V435 K464 V465 L647V435-Q437 PolarHBondContact O-N 3.04Å; Q437-K464 CarbonylContact O-C 3.59Å; Q437-K464 WeakPolarHBondContact O-CA 3.39Å; Q437-K464 WeakPolarHBondContact O-CB 3.44Å; Q437-V465 PolarHBondContact O-N 2.95Å; Q437-L647 HydrophobicContact CB-CD1 4.4Å; Q437-L647 HydrophobicContact CB-CD2 4.3Å
438L98Very high95.1Very high1 Ų133 Ų331%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-71.5140.3-178.6-175.261.1000112F430 V467 I644 L647F430-L438 HydrophobicContact CD1-CD2 4.26Å; F430-L438 HydrophobicContact CD2-CB 3.89Å; F430-L438 HydrophobicContact CD2-CD2 3.71Å; F430-L438 HydrophobicContact CD2-CG 3.76Å; F430-L438 HydrophobicContact CE1-CD2 3.93Å; F430-L438 HydrophobicContact CE2-CB 4.33Å; F430-L438 HydrophobicContact CE2-CD2 3.35Å; F430-L438 HydrophobicContact CE2-CG 3.69Å; F430-L438 HydrophobicContact CG-CB 4.29Å; F430-L438 HydrophobicContact CG-CD2 4.17Å; F430-L438 HydrophobicContact CG-CG 4.48Å; F430-L438 HydrophobicContact CZ-CD2 3.47Å; F430-L438 VanDerWaalsContact CZ-CD2 3.47Å; F430-L438 HydrophobicContact CZ-CG 4.32Å; L438-V467 HydrophobicContact CD1-CG2 4.05Å; L438-I644 HydrophobicContact CD1-CB 4.49Å; L438-I644 HydrophobicContact CD1-CG1 3.93Å; L438-I644 HydrophobicContact CD2-CB 4.19Å; L438-I644 HydrophobicContact CD2-CG1 4.27Å; L438-I644 HydrophobicContact CD2-CG2 3.95Å; L438-I644 WeakPolarHBondContact CD2-O 3.44Å; L438-L647 HydrophobicContact CB-CB 3.82Å
439L98.5Very high95Very high0 Ų035.7 Ų35.70%020%0.201CC..EExtended strand (participates in β ladder)trans-137114.1164.1173.462.1000108.5M427 H428 F429 V441 K464 V465 S466 V467M427-L439 HydrophobicContact CB-CD1 4.08Å; M427-L439 HydrophobicContact CE-CD2 3.57Å; H428-L439 WeakPolarHBondContact O-CD1 3.45Å; F429-L439 HydrophobicContact CD1-CD1 4.14Å; F429-L439 HydrophobicContact CD2-CD1 3.91Å; F429-L439 HydrophobicContact CE1-CD1 4.16Å; F429-L439 HydrophobicContact CE2-CD1 3.92Å; F429-L439 HydrophobicContact CG-CD1 4.01Å; F429-L439 HydrophobicContact CZ-CD1 4.05Å; F429-L439 HydrophobicContact CZ-CD2 4.47Å; L439-V441 HydrophobicContact CD2-CG2 4.24Å; L439-V441 HydrophobicContact CG-CG2 4.11Å; L439-K464 HydrophobicContact CB-CB 4.08Å; L439-K464 HydrophobicContact CB-CG 4.41Å; L439-V465 PolarHBondContact N-O 3.22Å; L439-V465 VanDerWaalsContact N-O 3.13Å; L439-S466 VanDerWaalsContact O-CA 3.26Å; L439-S466 WeakPolarHBondContact O-CA 3.47Å; L439-V467 PolarHBondContact O-N 2.73Å
440E98.6Very high94.9Very high0 Ų039.3 Ų39.30%022%0.218CC..EExtended strand (participates in β ladder)trans-80.3119.1169-77.1178.2141.200108.4H428 F430 V442 V469 V476 G477 I644H428-E440 HydrophobicContact CB-CB 4.1Å; H428-E440 IonicContact CE1-OE2 2.94Å; H428-E440 IonicContact CG-OE2 3.5Å; H428-E440 PolarHBondContact N-O 3.06Å; H428-E440 IonicContact ND1-OE2 3.16Å; H428-E440 PolarHBondContact ND1-OE2 3.47Å; H428-E440 PolarHBondContact O-N 3.31Å; F430-E440 HydrophobicContact CE2-CG 4.08Å; F430-E440 HydrophobicContact CZ-CG 4.38Å; E440-V442 HydrophobicContact CB-CG2 4.34Å; E440-V469 HydrophobicContact CB-CG2 4.13Å; E440-V469 HydrophobicContact CG-CG2 4.39Å; E440-V476 PolarHBondContact OE1-N 3.47Å; E440-G477 PolarHBondContact OE1-N 3.36Å; E440-I644 HydrophobicContact CG-CD1 4.28Å; E440-I644 HydrophobicContact CG-CG1 4.34Å
441V98.3Very high95.1Very high0 Ų038.5 Ų38.50%021%0.214CC..EExtended strand (participates in β ladder)trans-97.7103174.1177.30000107.4V425 G426 L439 V452 A455 M456 V467 A468 V469V425-V441 HydrophobicContact CG2-CG1 3.87Å; G426-V441 CarbonylContact O-C 3.52Å; G426-V441 WeakPolarHBondContact O-CA 3.14Å; L439-V441 HydrophobicContact CD2-CG2 4.24Å; L439-V441 HydrophobicContact CG-CG2 4.11Å; V441-V452 HydrophobicContact CG1-CG1 4.35Å; V441-A455 HydrophobicContact CG1-CB 3.74Å; V441-A455 HydrophobicContact CG2-CB 4.28Å; V441-M456 HydrophobicContact CB-SD 3.72Å; V441-M456 HydrophobicContact CG1-CG 4.43Å; V441-M456 HydrophobicContact CG1-SD 4.19Å; V441-M456 HydrophobicContact CG2-CG 4.44Å; V441-M456 HydrophobicContact CG2-SD 3.56Å; V441-M456 VanDerWaalsContact CG2-SD 3.56Å; V441-V467 PolarHBondContact N-O 2.99Å; V441-A468 CarbonylContact O-C 3.53Å; V441-A468 WeakPolarHBondContact O-CA 3.45Å; V441-V469 PolarHBondContact O-N 3.01Å
442V98.1Very high95.5Very high0 Ų035.5 Ų35.50%019%0.19CC..EExtended strand (participates in β ladder)trans-97115-169.4-168.80000109.7I411 V425 G426 E440 V469 N471 F475I411-V442 HydrophobicContact CD1-CB 3.39Å; I411-V442 HydrophobicContact CD1-CG1 3.41Å; I411-V442 VanDerWaalsContact CD1-CG1 3.41Å; I411-V442 HydrophobicContact CD1-CG2 4.22Å; V425-V442 WeakPolarHBondContact CG2-O 3.47Å; G426-V442 PolarHBondContact N-O 3.46Å; G426-V442 PolarHBondContact O-N 3.13Å; E440-V442 HydrophobicContact CB-CG2 4.34Å; V442-V469 CarbonylContact C-O 3.51Å; V442-V469 VanDerWaalsContact CA-O 3.27Å; V442-V469 WeakPolarHBondContact CA-O 2.85Å; V442-V469 HydrophobicContact CB-CG2 4.32Å; V442-V469 HydrophobicContact CG1-CG2 4.41Å; V442-V469 HydrophobicContact CG2-CG2 3.81Å; V442-N471 HydrophobicContact CG1-CB 4.1Å; V442-F475 HydrophobicContact CB-CD1 4.2Å; V442-F475 HydrophobicContact CB-CE1 4.19Å; V442-F475 HydrophobicContact CG1-CD1 3.49Å; V442-F475 VanDerWaalsContact CG1-CD1 3.49Å; V442-F475 HydrophobicContact CG1-CE1 3.64Å; V442-F475 HydrophobicContact CG1-CG 4.24Å; V442-F475 HydrophobicContact CG1-CZ 4.45Å; V442-F475 HydrophobicContact CG2-CB 4.37Å; V442-F475 HydrophobicContact CG2-CD1 3.69Å; V442-F475 HydrophobicContact CG2-CD2 3.73Å; V442-F475 HydrophobicContact CG2-CE1 3.84Å; V442-F475 HydrophobicContact CG2-CE2 3.86Å; V442-F475 HydrophobicContact CG2-CG 3.64Å; V442-F475 HydrophobicContact CG2-CZ 3.91Å
443Y96.5Very high95.8Very high15 Ų1532.6 Ų32.66%0.05917%0.171CC..EExtended strand (participates in β ladder)trans-101136.7-179.163.6-89.7000111.2T282 A283 A468 V469 N471T282-Y443 WeakPolarHBondContact CA-OH 3.44Å; T282-Y443 HydrophobicContact CG2-CD1 3.6Å; T282-Y443 HydrophobicContact CG2-CD2 3.95Å; T282-Y443 HydrophobicContact CG2-CE1 3.58Å; T282-Y443 HydrophobicContact CG2-CE2 3.94Å; T282-Y443 HydrophobicContact CG2-CG 3.79Å; A283-Y443 HydrophobicContact CB-CE2 4.48Å; A283-Y443 PolarHBondContact N-OH 3.27Å; A283-Y443 VanDerWaalsContact N-OH 3.14Å; Y443-A468 HydrophobicContact CD1-CB 4.43Å; Y443-A468 HydrophobicContact CE1-CB 4.45Å; Y443-V469 WeakPolarHBondContact CD1-O 3.39Å; Y443-V469 VanDerWaalsContact CE1-O 3.22Å; Y443-V469 WeakPolarHBondContact CE1-O 3.46Å; Y443-V469 PolarHBondContact N-O 3.06Å; Y443-N471 PolarHBondContact O-N 3.39Å; Y443-N471 VanDerWaalsContact O-N 3.11Å
444G93.2Very high96Very high0 Ų032.6 Ų32.60%017%0.171CC..  trans-88.8167.2166.700000111.2D412 R446 S447D412-G444 WeakPolarHBondContact OD1-CA 3.38Å; G444-R446 PolarHBondContact O-N 3.38Å; G444-S447 PolarHBondContact N-OG 3.16Å; G444-S447 WeakPolarHBondContact O-CB 3.49Å; G444-S447 PolarHBondContact O-N 3.3Å; G444-S447 VanDerWaalsContact O-N 3.12Å
445P91.3Very high96.3Very high97 Ų9729.5 Ų29.563%0.6316%0.157SC*.THydrogen-bonded Turntrans-53.8-31.6173.321.4-35.1000113.5D412D412-P445 WeakPolarHBondContact OD1-CD 3.42Å; D412-P445 WeakPolarHBondContact OD2-CD 3.31Å
446R94Very high96.6Very high114 Ų11426 Ų2643%0.4314%0.135SC..THydrogen-bonded Turntrans-86.8-17.7179.9-68.1-174-67-136.7-3.4114.2D412 E422 G444 S448D412-R446 PolarHBondContact O-NH2 2.8Å; E422-R446 VanDerWaalsContact CA-O 3.22Å; E422-R446 WeakPolarHBondContact CA-O 3.48Å; E422-R446 WeakPolarHBondContact CB-O 3.46Å; G444-R446 PolarHBondContact O-N 3.38Å; R446-S448 PolarHBondContact O-N 2.83Å
447S96.3Very high96.7Very high5 Ų527 Ų274%0.03514%0.139CC..  trans-59.8123.8-177.6-59.40000110.5N284 V424 G444N284-S447 PolarHBondContact ND2-O 3.46Å; V424-S447 PolarHBondContact O-OG 3.18Å; G444-S447 PolarHBondContact N-OG 3.16Å; G444-S447 WeakPolarHBondContact O-CB 3.49Å; G444-S447 PolarHBondContact O-N 3.3Å; G444-S447 VanDerWaalsContact O-N 3.12Å
448S96.6Very high96.8Very high22 Ų2223.1 Ų23.115%0.15412%0.121CC..  trans-66.6153-179.962.20000112.5E422 R446 E450 V451 V452E422-S448 WeakPolarHBondContact O-CB 3.25Å; E422-S448 PolarHBondContact O-N 3.06Å; E422-S448 PolarHBondContact O-OG 2.78Å; R446-S448 PolarHBondContact O-N 2.83Å; S448-E450 PolarHBondContact O-N 3.2Å; S448-V451 VanDerWaalsContact O-CG1 3.28Å; S448-V451 WeakPolarHBondContact O-CG1 3.32Å; S448-V451 PolarHBondContact O-N 2.97Å; S448-V451 PolarHBondContact OG-N 3.14Å; S448-V452 PolarHBondContact O-N 3.48Å
449P97Very high96.7Very high61 Ų6123 Ų2340%0.39612%0.12SC..Hα-helixtrans-54.8-35.7172.3-27.535.6000113.3A286 S291 A453A286-P449 HydrophobicContact CB-CB 3.7Å; A286-P449 HydrophobicContact CB-CG 3.82Å; S291-P449 WeakPolarHBondContact CB-O 3.41Å; S291-P449 WeakPolarHBondContact OG-CB 3.33Å; P449-A453 VanDerWaalsContact O-CB 3.31Å; P449-A453 WeakPolarHBondContact O-CB 3.02Å; P449-A453 PolarHBondContact O-N 3.1Å
450E96.6Very high96.6Very high79 Ų7931 Ų3137%0.36916%0.155SC..Hα-helixtrans-65.5-44.8178.4-177.9-179.5-113.900112.5R294 S448 V452 A453 T454R294-E450 HydrophobicContact CB-CG 4.4Å; R294-E450 WeakPolarHBondContact CD-OE2 3.38Å; R294-E450 HydrophobicContact CG-CG 4.24Å; R294-E450 IonicContact NH1-OE2 3.24Å; S448-E450 PolarHBondContact O-N 3.2Å; E450-V452 PolarHBondContact O-N 3.41Å; E450-A453 PolarHBondContact O-N 3.36Å; E450-T454 WeakPolarHBondContact O-CB 3.27Å; E450-T454 PolarHBondContact O-N 2.78Å; E450-T454 PolarHBondContact O-OG1 2.86Å
451V96.9Very high96.4Very high0 Ų036 Ų360%018%0.176CC..Hα-helixtrans-65.3-41.9-178.773.80000111.1L401 E422 L423 V425 S448 T454 A455L401-V451 HydrophobicContact CB-CG2 4.35Å; L401-V451 HydrophobicContact CD2-CB 4.46Å; L401-V451 HydrophobicContact CD2-CG2 3.68Å; L401-V451 HydrophobicContact CG-CG2 3.81Å; E422-V451 WeakPolarHBondContact O-CG1 3.45Å; L423-V451 WeakPolarHBondContact O-CG2 3.12Å; V425-V451 HydrophobicContact CB-CG1 4.29Å; V425-V451 HydrophobicContact CB-CG2 4.08Å; V425-V451 HydrophobicContact CG1-CG2 3.72Å; S448-V451 VanDerWaalsContact O-CG1 3.28Å; S448-V451 WeakPolarHBondContact O-CG1 3.32Å; S448-V451 PolarHBondContact O-N 2.97Å; S448-V451 PolarHBondContact OG-N 3.14Å; V451-T454 PolarHBondContact O-N 2.72Å; V451-A455 PolarHBondContact O-N 3.35Å
452V97.7Very high96.2Very high1 Ų137 Ų371%0.00618%0.182CC..Hα-helixtrans-63.5-48.2176.6-179.10000110.3W280 T282 V425 V441 S448 E450 T454 A455 M456W280-V452 HydrophobicContact CD2-CG1 4.46Å; W280-V452 HydrophobicContact CE3-CG1 3.95Å; W280-V452 HydrophobicContact CH2-CB 4.11Å; W280-V452 HydrophobicContact CH2-CG1 3.79Å; W280-V452 HydrophobicContact CZ2-CG1 4.31Å; W280-V452 HydrophobicContact CZ3-CB 4.24Å; W280-V452 HydrophobicContact CZ3-CG1 3.6Å; T282-V452 HydrophobicContact CG2-CG1 4.35Å; V425-V452 HydrophobicContact CG2-CG2 4.48Å; V441-V452 HydrophobicContact CG1-CG1 4.35Å; S448-V452 PolarHBondContact O-N 3.48Å; E450-V452 PolarHBondContact O-N 3.41Å; V452-T454 VanDerWaalsContact C-N 3.25Å; V452-T454 PolarHBondContact O-N 2.87Å; V452-A455 PolarHBondContact O-N 2.86Å; V452-M456 HydrophobicContact CG1-CG 4.35Å; V452-M456 VanDerWaalsContact O-CG 3.23Å; V452-M456 WeakPolarHBondContact O-CG 3.15Å; V452-M456 PolarHBondContact O-N 3.33Å
453A97.8Very high96Very high6 Ų639.4 Ų39.45%0.0521%0.206CC..Hα-helixtrans-58.5-39.2177.200000112.4W280 P293 P449 E450 Q457W280-A453 HydrophobicContact CH2-CB 4.28Å; W280-A453 HydrophobicContact CZ2-CB 3.81Å; P293-A453 HydrophobicContact CB-CB 4.16Å; P449-A453 VanDerWaalsContact O-CB 3.31Å; P449-A453 WeakPolarHBondContact O-CB 3.02Å; P449-A453 PolarHBondContact O-N 3.1Å; E450-A453 PolarHBondContact O-N 3.36Å; A453-Q457 WeakPolarHBondContact O-CB 3.49Å; A453-Q457 PolarHBondContact O-N 2.62Å
454T98Very high96.1Very high0 Ų039.6 Ų39.60%021%0.207CC..Hα-helixtrans-68.3-45.3179.7-55.80000111.4P293 R294 V296 L401 E450 V451 V452 M456 Q457 M458P293-T454 WeakPolarHBondContact CA-OG1 3.28Å; R294-T454 HydrophobicContact CG-CG2 3.96Å; R294-T454 WeakPolarHBondContact CG-OG1 3.42Å; R294-T454 PolarHBondContact N-OG1 2.81Å; V296-T454 HydrophobicContact CG2-CG2 3.6Å; L401-T454 HydrophobicContact CD2-CG2 3.52Å; E450-T454 WeakPolarHBondContact O-CB 3.27Å; E450-T454 PolarHBondContact O-N 2.78Å; E450-T454 PolarHBondContact O-OG1 2.86Å; V451-T454 PolarHBondContact O-N 2.72Å; V452-T454 VanDerWaalsContact C-N 3.25Å; V452-T454 PolarHBondContact O-N 2.87Å; T454-M456 PolarHBondContact O-N 3.44Å; T454-Q457 PolarHBondContact O-N 3.06Å; T454-M458 VanDerWaalsContact O-CG 3.29Å; T454-M458 WeakPolarHBondContact O-CG 3.24Å; T454-M458 PolarHBondContact O-N 3.21Å
455A97.7Very high96.3Very high0 Ų040.6 Ų40.60%021%0.213CC..Hα-helixtrans-61.4-43.817500000112.1V425 M427 V441 V451 V452 Q457 M458 G459V425-A455 HydrophobicContact CG1-CB 4.07Å; M427-A455 HydrophobicContact CG-CB 4.22Å; M427-A455 HydrophobicContact SD-CB 4.27Å; V441-A455 HydrophobicContact CG1-CB 3.74Å; V441-A455 HydrophobicContact CG2-CB 4.28Å; V451-A455 PolarHBondContact O-N 3.35Å; V452-A455 PolarHBondContact O-N 2.86Å; A455-Q457 PolarHBondContact O-N 3.46Å; A455-M458 PolarHBondContact O-N 2.93Å; A455-G459 PolarHBondContact O-N 3.33Å
456M97.8Very high96.6Very high15 Ų1536.4 Ų36.47%0.07419%0.187CC..Hα-helixtrans-61.2-42.3174.7-66.4-63.7-75.100111.9W280 V441 V452 T454 G459 K460 S466 A468W280-M456 HydrophobicContact CB-CE 3.95Å; W280-M456 VanDerWaalsContact CD1-CE 3.46Å; W280-M456 HydrophobicContact CD2-CG 4.34Å; W280-M456 HydrophobicContact CG-CE 3.77Å; W280-M456 HydrophobicContact CG-CG 4.29Å; V441-M456 HydrophobicContact CB-SD 3.72Å; V441-M456 HydrophobicContact CG1-CG 4.43Å; V441-M456 HydrophobicContact CG1-SD 4.19Å; V441-M456 HydrophobicContact CG2-CG 4.44Å; V441-M456 HydrophobicContact CG2-SD 3.56Å; V441-M456 VanDerWaalsContact CG2-SD 3.56Å; V452-M456 HydrophobicContact CG1-CG 4.35Å; V452-M456 VanDerWaalsContact O-CG 3.23Å; V452-M456 WeakPolarHBondContact O-CG 3.15Å; V452-M456 PolarHBondContact O-N 3.33Å; T454-M456 PolarHBondContact O-N 3.44Å; M456-G459 PolarHBondContact O-N 2.62Å; M456-K460 PolarHBondContact O-N 3.12Å; M456-K460 VanDerWaalsContact O-N 3.16Å; M456-S466 VanDerWaalsContact CE-O 3.28Å; M456-S466 WeakPolarHBondContact CE-O 3.42Å; M456-S466 WeakPolarHBondContact SD-CB 3.44Å; M456-A468 HydrophobicContact CE-CB 4.43Å; M456-A468 HydrophobicContact SD-CB 4.2Å
457Q96.8Very high96.8Very high67 Ų6731 Ų3131%0.31317%0.166SC..Hα-helixtrans-65.3-41.4176.5-172.9-171.380.600111.6P293 A453 T454 A455 K460 K461P293-Q457 HydrophobicContact CB-CB 4.03Å; P293-Q457 HydrophobicContact CG-CB 4.38Å; P293-Q457 VanDerWaalsContact CG-NE2 3.26Å; A453-Q457 WeakPolarHBondContact O-CB 3.49Å; A453-Q457 PolarHBondContact O-N 2.62Å; T454-Q457 PolarHBondContact O-N 3.06Å; A455-Q457 PolarHBondContact O-N 3.46Å; Q457-K460 PolarHBondContact O-N 3.03Å; Q457-K461 PolarHBondContact O-N 3.33Å
458M96.6Very high96.9Very high2 Ų231 Ų311%0.0117%0.167CC..Hα-helixtrans-61.9-46.3177.3-71.1-137.8-45.500111.8V296 F320 L373 I375 M427 T454 A455 K460 K461 M462V296-M458 HydrophobicContact CB-SD 4.14Å; V296-M458 HydrophobicContact CG1-SD 3.82Å; V296-M458 HydrophobicContact CG2-CG 4.46Å; V296-M458 HydrophobicContact CG2-SD 4.16Å; F320-M458 HydrophobicContact CZ-SD 4.5Å; L373-M458 HydrophobicContact CD1-CE 3.38Å; L373-M458 HydrophobicContact CD1-SD 3.69Å; L373-M458 HydrophobicContact CD2-CE 3.55Å; L373-M458 HydrophobicContact CD2-SD 4.27Å; L373-M458 HydrophobicContact CG-CE 4.11Å; L373-M458 HydrophobicContact CG-SD 4.48Å; I375-M458 HydrophobicContact CD1-CE 4.25Å; M427-M458 HydrophobicContact CE-CB 4.36Å; M427-M458 HydrophobicContact CE-CE 3.59Å; M427-M458 HydrophobicContact SD-CE 3.66Å; T454-M458 VanDerWaalsContact O-CG 3.29Å; T454-M458 WeakPolarHBondContact O-CG 3.24Å; T454-M458 PolarHBondContact O-N 3.21Å; A455-M458 PolarHBondContact O-N 2.93Å; M458-K460 VanDerWaalsContact C-N 3.3Å; M458-K460 PolarHBondContact O-N 3.35Å; M458-K461 PolarHBondContact O-N 3.5Å; M458-K461 VanDerWaalsContact O-N 3.11Å; M458-M462 HydrophobicContact CB-CE 4.32Å; M458-M462 PolarHBondContact O-N 3.23Å
459G96.6Very high96.9Very high0 Ų030 Ų300%016%0.159CC..Hα-helixtrans-54.3-47.8175.400000111.8A455 M456 K461 M462 G463 K464 S466A455-G459 PolarHBondContact O-N 3.33Å; M456-G459 PolarHBondContact O-N 2.62Å; G459-K461 PolarHBondContact O-N 3.33Å; G459-M462 CarbonylContact O-C 3.54Å; G459-M462 PolarHBondContact O-N 3.49Å; G459-M462 VanDerWaalsContact O-N 3.1Å; G459-G463 PolarHBondContact O-N 2.87Å; G459-K464 WeakPolarHBondContact O-CA 3.48Å; G459-K464 VanDerWaalsContact O-CB 3.29Å; G459-K464 WeakPolarHBondContact O-CB 3.49Å; G459-K464 PolarHBondContact O-N 3.35Å; G459-S466 WeakPolarHBondContact CA-OG 3.01Å
460K95.3Very high96.9Very high167 Ų16727.3 Ų27.373%0.72614%0.142SC*.Hα-helixtrans-57.9-44.1174.9-173.3179.7179.7178.10112.9M456 Q457 M458 M462 G463M456-K460 PolarHBondContact O-N 3.12Å; M456-K460 VanDerWaalsContact O-N 3.16Å; Q457-K460 PolarHBondContact O-N 3.03Å; M458-K460 VanDerWaalsContact C-N 3.3Å; M458-K460 PolarHBondContact O-N 3.35Å; K460-M462 VanDerWaalsContact C-N 3.27Å; K460-M462 PolarHBondContact O-N 3.01Å; K460-G463 PolarHBondContact O-N 3.42Å
461K95.4Very high96.9Very high104 Ų10425 Ų2545%0.45213%0.133SC..Hα-helixtrans-62.9-33.2176.7-77.2179.5173.4173.40112.4A318 F320 Q457 M458 G459 G463A318-K461 WeakPolarHBondContact CB-O 3.28Å; F320-K461 HydrophobicContact CE1-CD 4.23Å; F320-K461 HydrophobicContact CE2-CB 4.08Å; F320-K461 HydrophobicContact CZ-CB 3.93Å; F320-K461 HydrophobicContact CZ-CD 3.61Å; F320-K461 HydrophobicContact CZ-CG 4.43Å; Q457-K461 PolarHBondContact O-N 3.33Å; M458-K461 PolarHBondContact O-N 3.5Å; M458-K461 VanDerWaalsContact O-N 3.11Å; G459-K461 PolarHBondContact O-N 3.33Å; K461-G463 PolarHBondContact O-N 2.83Å
462M94.9Very high96.8Very high22 Ų2226.3 Ų26.311%0.10814%0.141CC..THydrogen-bonded Turntrans-782.2173.8-68.2-176.5-71.500114.1L315 A318 F320 M427 F429 M458 G459 K460 K464L315-M462 HydrophobicContact CD2-CG 4.47Å; L315-M462 HydrophobicContact CD2-SD 3.65Å; L315-M462 HydrophobicContact CG-SD 3.97Å; A318-M462 HydrophobicContact CB-CB 4.44Å; A318-M462 HydrophobicContact CB-CG 3.88Å; F320-M462 HydrophobicContact CE2-CG 4.29Å; M427-M462 HydrophobicContact CE-CE 4.12Å; F429-M462 HydrophobicContact CE1-CE 4.02Å; F429-M462 HydrophobicContact CE1-SD 4.34Å; F429-M462 HydrophobicContact CZ-CE 3.87Å; F429-M462 HydrophobicContact CZ-SD 4.41Å; M458-M462 HydrophobicContact CB-CE 4.32Å; M458-M462 PolarHBondContact O-N 3.23Å; G459-M462 CarbonylContact O-C 3.54Å; G459-M462 PolarHBondContact O-N 3.49Å; G459-M462 VanDerWaalsContact O-N 3.1Å; K460-M462 VanDerWaalsContact C-N 3.27Å; K460-M462 PolarHBondContact O-N 3.01Å; M462-K464 HydrophobicContact CB-CG 4.01Å; M462-K464 PolarHBondContact O-N 2.83Å
463G93.9Very high96.5Very high50 Ų5033.6 Ų33.652%0.51517%0.169SC..THydrogen-bonded Turntrans69.118.7-174.200000113.5G459 K460 K461G459-G463 PolarHBondContact O-N 2.87Å; K460-G463 PolarHBondContact O-N 3.42Å; K461-G463 PolarHBondContact O-N 2.83Å
464K96.8Very high96.3Very high19 Ų1933.7 Ų33.78%0.08317%0.17CC..  trans-82.4157.6170.3-53.8-60.6-177.7-160.90110.6A433 M436 Q437 L439 G459 M462A433-K464 WeakPolarHBondContact O-CE 3.43Å; A433-K464 PolarHBondContact O-NZ 3.28Å; M436-K464 WeakPolarHBondContact O-CD 3.41Å; M436-K464 WeakPolarHBondContact O-CE 3.45Å; M436-K464 PolarHBondContact O-NZ 3.28Å; Q437-K464 CarbonylContact O-C 3.59Å; Q437-K464 WeakPolarHBondContact O-CA 3.39Å; Q437-K464 WeakPolarHBondContact O-CB 3.44Å; L439-K464 HydrophobicContact CB-CB 4.08Å; L439-K464 HydrophobicContact CB-CG 4.41Å; G459-K464 WeakPolarHBondContact O-CA 3.48Å; G459-K464 VanDerWaalsContact O-CB 3.29Å; G459-K464 WeakPolarHBondContact O-CB 3.49Å; G459-K464 PolarHBondContact O-N 3.35Å; M462-K464 HydrophobicContact CB-CG 4.01Å; M462-K464 PolarHBondContact O-N 2.83Å
465V97.6Very high96.2Very high21 Ų2133.7 Ų33.713%0.12717%0.171CC..EExtended strand (participates in β ladder)trans-103101.2167.5178.80000105.7Q274 V277 Q437 L439 V643 L647Q274-V465 HydrophobicContact CG-CG1 4.12Å; Q274-V465 HydrophobicContact CG-CG2 4.23Å; V277-V465 HydrophobicContact CG2-CG1 3.74Å; Q437-V465 PolarHBondContact O-N 2.95Å; L439-V465 PolarHBondContact N-O 3.22Å; L439-V465 VanDerWaalsContact N-O 3.13Å; V465-V643 HydrophobicContact CG1-CG1 3.61Å; V465-L647 HydrophobicContact CB-CD1 3.45Å; V465-L647 VanDerWaalsContact CB-CD1 3.45Å; V465-L647 HydrophobicContact CG1-CD1 3.68Å; V465-L647 HydrophobicContact CG2-CD1 3.63Å
466S97.8Very high96.3Very high10 Ų1033.7 Ų33.77%0.0717%0.171CC..EExtended strand (participates in β ladder)trans-84.9137.4179.9-60.80000110.8L439 M456 G459L439-S466 VanDerWaalsContact O-CA 3.26Å; L439-S466 WeakPolarHBondContact O-CA 3.47Å; M456-S466 VanDerWaalsContact CE-O 3.28Å; M456-S466 WeakPolarHBondContact CE-O 3.42Å; M456-S466 WeakPolarHBondContact SD-CB 3.44Å; G459-S466 WeakPolarHBondContact CA-OG 3.01Å
467V98.4Very high96.2Very high1 Ų133 Ų331%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-125.4124.1174.9-172.80000107.9V277 L438 L439 V441 V469 D640 V643 I644V277-V467 HydrophobicContact CB-CG2 4.13Å; V277-V467 HydrophobicContact CG1-CG1 4.46Å; V277-V467 HydrophobicContact CG1-CG2 4.01Å; V277-V467 HydrophobicContact CG2-CG2 4.47Å; L438-V467 HydrophobicContact CD1-CG2 4.05Å; L439-V467 PolarHBondContact O-N 2.73Å; V441-V467 PolarHBondContact N-O 2.99Å; V467-V469 HydrophobicContact CG1-CG1 4.1Å; V467-D640 HydrophobicContact CG1-CB 3.62Å; V467-V643 HydrophobicContact CG2-CG1 3.95Å; V467-I644 HydrophobicContact CB-CD1 4.17Å; V467-I644 HydrophobicContact CB-CG1 4.14Å; V467-I644 HydrophobicContact CG1-CD1 3.83Å; V467-I644 HydrophobicContact CG1-CG1 4.21Å; V467-I644 HydrophobicContact CG2-CG1 4.09Å
468A97.8Very high96.1Very high5 Ų532.1 Ų32.14%0.04117%0.165CC..EExtended strand (participates in β ladder)trans-81.5124.1178.200000109.6W280 V441 Y443 M456W280-A468 HydrophobicContact CB-CB 3.87Å; W280-A468 HydrophobicContact CE3-CB 4.4Å; W280-A468 HydrophobicContact CG-CB 4.34Å; V441-A468 CarbonylContact O-C 3.53Å; V441-A468 WeakPolarHBondContact O-CA 3.45Å; Y443-A468 HydrophobicContact CD1-CB 4.43Å; Y443-A468 HydrophobicContact CE1-CB 4.45Å; M456-A468 HydrophobicContact CE-CB 4.43Å; M456-A468 HydrophobicContact SD-CB 4.2Å
469V97.6Very high96.2Very high0 Ų034.2 Ų34.20%017%0.172CC..EExtended strand (participates in β ladder)trans-134.5150.5-176.7-59.70000110.9E440 V441 V442 Y443 V467 F475 V476 I634 I644E440-V469 HydrophobicContact CB-CG2 4.13Å; E440-V469 HydrophobicContact CG-CG2 4.39Å; V441-V469 PolarHBondContact O-N 3.01Å; V442-V469 CarbonylContact C-O 3.51Å; V442-V469 VanDerWaalsContact CA-O 3.27Å; V442-V469 WeakPolarHBondContact CA-O 2.85Å; V442-V469 HydrophobicContact CB-CG2 4.32Å; V442-V469 HydrophobicContact CG1-CG2 4.41Å; V442-V469 HydrophobicContact CG2-CG2 3.81Å; Y443-V469 WeakPolarHBondContact CD1-O 3.39Å; Y443-V469 VanDerWaalsContact CE1-O 3.22Å; Y443-V469 WeakPolarHBondContact CE1-O 3.46Å; Y443-V469 PolarHBondContact N-O 3.06Å; V467-V469 HydrophobicContact CG1-CG1 4.1Å; V469-F475 HydrophobicContact CG2-CB 4.16Å; V469-V476 HydrophobicContact CB-CG2 3.92Å; V469-V476 HydrophobicContact CG1-CB 4.4Å; V469-V476 HydrophobicContact CG1-CG2 3.6Å; V469-I634 CarbonylContact C-O 3.59Å; V469-I634 WeakPolarHBondContact CA-O 3.43Å; V469-I644 HydrophobicContact CG1-CD1 3.86Å
470G96.9Very high96.2Very high4 Ų434.2 Ų34.24%0.04117%0.172CC..EExtended strand (participates in β ladder)trans-70.9154.9177.700000112.6C472 I634G470-C472 PolarHBondContact O-N 2.7Å; G470-I634 PolarHBondContact N-O 3.48Å
471N96.5Very high96.3Very high31 Ų3128.3 Ų28.317%0.16615%0.148CC..  trans-72.9111.9174-175.429.3000111.2D410 D412 V442 Y443D410-N471 PolarHBondContact OD1-ND2 2.92Å; D412-N471 PolarHBondContact N-ND2 2.81Å; D412-N471 PolarHBondContact OD2-ND2 2.86Å; V442-N471 HydrophobicContact CG1-CB 4.1Å; Y443-N471 PolarHBondContact O-N 3.39Å; Y443-N471 VanDerWaalsContact O-N 3.11Å
472C94.9Very high96.3Very high27 Ų2729 Ų2918%0.18215%0.152CC..  trans-150.3166.7164.768.60000109.2G470 G474 F475 I634G470-C472 PolarHBondContact O-N 2.7Å; C472-G474 PolarHBondContact O-N 2.81Å; C472-G474 VanDerWaalsContact O-N 3.11Å; C472-F475 VanDerWaalsContact O-CD1 3.23Å; C472-F475 WeakPolarHBondContact O-CD1 3.37Å; C472-F475 PolarHBondContact O-N 3.13Å; C472-F475 PolarHBondContact SG-O 3.32Å; C472-I634 HydrophobicContact CB-CD1 3.91Å; C472-I634 HydrophobicContact CB-CG1 4.39Å
473R91.6Very high96.4Very high154 Ų15428.5 Ų28.558%0.58115%0.15SC*.THydrogen-bonded Turntrans-56119.3177.7-173.1175.8176.5121.631.9111.1F475 D533R473-F475 PolarHBondContact O-N 3.38Å; R473-D533 IonicContact CZ-OD1 3.56Å; R473-D533 IonicContact CZ-OD2 2.74Å; R473-D533 VanDerWaalsContact CZ-OD2 3.32Å; R473-D533 IonicContact NH1-OD1 2.79Å; R473-D533 PolarHBondContact NH1-OD1 2.63Å; R473-D533 IonicContact NH1-OD2 3.29Å; R473-D533 IonicContact NH2-OD1 2.84Å; R473-D533 PolarHBondContact NH2-OD1 3.42Å; R473-D533 IonicContact NH2-OD2 2.94Å; R473-D533 PolarHBondContact NH2-OD2 3.17Å
474G93Very high96.5Very high8 Ų826.7 Ų26.78%0.08213%0.128CC..THydrogen-bonded Turntrans72.58.7-178.200000115.6C472 V476 N478 R479C472-G474 PolarHBondContact O-N 2.81Å; C472-G474 VanDerWaalsContact O-N 3.11Å; G474-V476 PolarHBondContact O-N 3.22Å; G474-N478 WeakPolarHBondContact O-CB 3.32Å; G474-N478 PolarHBondContact O-N 3.01Å; G474-N478 VanDerWaalsContact O-N 3.13Å; G474-R479 PolarHBondContact O-N 2.97Å
475F97.1Very high96.5Very high1 Ų127.9 Ų27.90%0.00414%0.135CC..THydrogen-bonded Turntrans51.1-121.1179.2-41.2-48.1000112.3T406 I411 H428 V442 V469 C472 R473 R479T406-F475 HydrophobicContact CG2-CZ 4.23Å; T406-F475 VanDerWaalsContact O-CE2 3.24Å; T406-F475 WeakPolarHBondContact O-CE2 3.18Å; I411-F475 HydrophobicContact CD1-CE1 4Å; I411-F475 HydrophobicContact CD1-CZ 4.2Å; H428-F475 HydrophobicContact CB-CD2 4.2Å; H428-F475 HydrophobicContact CB-CE2 3.85Å; H428-F475 AromaticContact CG-CE2 3.8Å; H428-F475 AromaticContact ND1-CD2 3.67Å; H428-F475 AromaticContact ND1-CE2 3.89Å; V442-F475 HydrophobicContact CB-CD1 4.2Å; V442-F475 HydrophobicContact CB-CE1 4.19Å; V442-F475 HydrophobicContact CG1-CD1 3.49Å; V442-F475 VanDerWaalsContact CG1-CD1 3.49Å; V442-F475 HydrophobicContact CG1-CE1 3.64Å; V442-F475 HydrophobicContact CG1-CG 4.24Å; V442-F475 HydrophobicContact CG1-CZ 4.45Å; V442-F475 HydrophobicContact CG2-CB 4.37Å; V442-F475 HydrophobicContact CG2-CD1 3.69Å; V442-F475 HydrophobicContact CG2-CD2 3.73Å; V442-F475 HydrophobicContact CG2-CE1 3.84Å; V442-F475 HydrophobicContact CG2-CE2 3.86Å; V442-F475 HydrophobicContact CG2-CG 3.64Å; V442-F475 HydrophobicContact CG2-CZ 3.91Å; V469-F475 HydrophobicContact CG2-CB 4.16Å; C472-F475 VanDerWaalsContact O-CD1 3.23Å; C472-F475 WeakPolarHBondContact O-CD1 3.37Å; C472-F475 PolarHBondContact O-N 3.13Å; C472-F475 PolarHBondContact SG-O 3.32Å; R473-F475 PolarHBondContact O-N 3.38Å; F475-R479 VanDerWaalsContact O-CB 3.22Å; F475-R479 WeakPolarHBondContact O-CB 3.46Å; F475-R479 WeakPolarHBondContact O-CD 3.28Å
476V98.2Very high96.5Very high0 Ų029.5 Ų29.50%014%0.141CC..THydrogen-bonded Turntrans-101.2-57.1174.5172.70000110E440 V469 G474 M480 I629 I634 A635 I641 I644E440-V476 PolarHBondContact OE1-N 3.47Å; V469-V476 HydrophobicContact CB-CG2 3.92Å; V469-V476 HydrophobicContact CG1-CB 4.4Å; V469-V476 HydrophobicContact CG1-CG2 3.6Å; G474-V476 PolarHBondContact O-N 3.22Å; V476-M480 HydrophobicContact CG1-SD 3.92Å; V476-M480 WeakPolarHBondContact O-CG 3.43Å; V476-M480 PolarHBondContact O-N 3.18Å; V476-I629 HydrophobicContact CB-CD1 4.48Å; V476-I629 HydrophobicContact CG1-CD1 4.23Å; V476-I629 HydrophobicContact CG1-CG2 4.34Å; V476-I629 HydrophobicContact CG2-CG2 3.83Å; V476-I634 HydrophobicContact CG2-CG2 3.82Å; V476-A635 HydrophobicContact CG2-CB 4.22Å; V476-I641 HydrophobicContact CG1-CG1 3.97Å; V476-I644 HydrophobicContact CB-CD1 3.8Å; V476-I644 HydrophobicContact CG1-CD1 3.7Å; V476-I644 HydrophobicContact CG1-CG2 4.28Å; V476-I644 HydrophobicContact CG2-CD1 4.23Å
477G96.5Very high96.5Very high0 Ų029.2 Ų29.20%014%0.138CC..Hα-helixtrans-59.4-57.8-171.800000114.1E440 R479 M480 L481 Y645 Y649E440-G477 PolarHBondContact OE1-N 3.36Å; G477-R479 VanDerWaalsContact C-N 3.31Å; G477-R479 PolarHBondContact O-N 3.43Å; G477-M480 PolarHBondContact O-N 3.49Å; G477-L481 WeakPolarHBondContact O-CB 3.32Å; G477-L481 PolarHBondContact O-N 3.2Å; G477-Y645 PolarHBondContact O-OH 3.36Å; G477-Y649 VanDerWaalsContact CA-CZ 3.44Å; G477-Y649 WeakPolarHBondContact CA-OH 3.29Å; G477-Y649 PolarHBondContact O-OH 2.83Å
478N95.6Very high96.5Very high49 Ų4929.1 Ų29.126%0.26214%0.138SC..Hα-helixtrans-72.2-30.7-174.7-70.2-27.1000111.4S407 G474 L481 K482 Y649S407-N478 PolarHBondContact O-ND2 3.11Å; S407-N478 VanDerWaalsContact O-ND2 3.12Å; G474-N478 WeakPolarHBondContact O-CB 3.32Å; G474-N478 PolarHBondContact O-N 3.01Å; G474-N478 VanDerWaalsContact O-N 3.13Å; N478-L481 PolarHBondContact O-N 2.86Å; N478-K482 PolarHBondContact O-N 2.8Å; N478-Y649 PolarHBondContact N-OH 3.48Å; N478-Y649 PolarHBondContact OD1-OH 3.47Å
479R97.2Very high96.5Very high45 Ų4530.1 Ų30.117%0.1714%0.142CC..Hα-helixtrans-59.1-48.9173.2-179.8173.9167.6-179.2-4.4111.5G474 F475 G477 P483 E625 I629 D632G474-R479 PolarHBondContact O-N 2.97Å; F475-R479 VanDerWaalsContact O-CB 3.22Å; F475-R479 WeakPolarHBondContact O-CB 3.46Å; F475-R479 WeakPolarHBondContact O-CD 3.28Å; G477-R479 VanDerWaalsContact C-N 3.31Å; G477-R479 PolarHBondContact O-N 3.43Å; R479-P483 WeakPolarHBondContact O-CD 3.17Å; R479-E625 HydrophobicContact CG-CG 4.14Å; R479-E625 IonicContact CZ-OE1 3.35Å; R479-E625 IonicContact NE-OE1 2.74Å; R479-E625 PolarHBondContact NE-OE1 2.92Å; R479-E625 IonicContact NH2-OE1 2.73Å; R479-E625 PolarHBondContact NH2-OE1 2.89Å; R479-I629 HydrophobicContact CB-CD1 4.31Å; R479-I629 HydrophobicContact CG-CD1 4.07Å; R479-I629 HydrophobicContact CG-CG1 4.44Å; R479-D632 IonicContact CZ-OD2 3.64Å; R479-D632 VanDerWaalsContact CZ-OD2 3.29Å; R479-D632 IonicContact NH1-OD2 2.73Å; R479-D632 PolarHBondContact NH1-OD2 3.37Å; R479-D632 IonicContact NH2-OD2 3.56Å; R479-D632 PolarHBondContact NH2-OD2 2.88Å
480M98.3Very high96.5Very high0 Ų030.2 Ų30.20%014%0.142CC..Hα-helixtrans-73.3-26.3176.8-70.517463.500113.5V476 G477 K482 P483 L622 E625 G626 I629 I641 Y645 P658 M659V476-M480 HydrophobicContact CG1-SD 3.92Å; V476-M480 WeakPolarHBondContact O-CG 3.43Å; V476-M480 PolarHBondContact O-N 3.18Å; G477-M480 PolarHBondContact O-N 3.49Å; M480-K482 VanDerWaalsContact C-N 3.31Å; M480-K482 PolarHBondContact O-N 2.89Å; M480-P483 WeakPolarHBondContact O-CD 3.26Å; M480-P483 WeakPolarHBondContact O-CG 3.23Å; M480-L622 HydrophobicContact CB-CG 4.42Å; M480-L622 HydrophobicContact CE-CD2 3.51Å; M480-L622 HydrophobicContact CE-CG 4.14Å; M480-L622 WeakPolarHBondContact CE-O 3.44Å; M480-E625 HydrophobicContact CB-CG 4.45Å; M480-E625 HydrophobicContact CG-CB 4.12Å; M480-E625 HydrophobicContact CG-CG 3.99Å; M480-G626 VanDerWaalsContact SD-CA 3.59Å; M480-I629 HydrophobicContact CG-CD1 3.3Å; M480-I629 HydrophobicContact SD-CD1 3.79Å; M480-I641 HydrophobicContact CE-CG2 3.56Å; M480-I641 HydrophobicContact SD-CG2 3.53Å; M480-I641 VanDerWaalsContact SD-CG2 3.53Å; M480-Y645 HydrophobicContact CB-CE2 3.6Å; M480-Y645 WeakPolarHBondContact CB-OH 3.39Å; M480-Y645 HydrophobicContact CE-CD2 3.81Å; M480-Y645 HydrophobicContact CE-CE2 3.37Å; M480-Y645 HydrophobicContact CG-CE2 4.13Å; M480-Y645 HydrophobicContact SD-CD2 4.09Å; M480-Y645 HydrophobicContact SD-CE2 3.46Å; M480-Y645 WeakPolarHBondContact SD-CE2 3.28Å; M480-P658 HydrophobicContact CE-CB 4.48Å; M480-P658 HydrophobicContact CE-CG 4.08Å; M480-M659 HydrophobicContact CE-CE 4.2Å
481L96Very high96.6Very high43 Ų4330 Ų3023%0.22514%0.14CC..Hα-helixtrans-68.2-30.9177-176.467.8000112.3G477 N478 Y484 L485 Y645 Y649G477-L481 WeakPolarHBondContact O-CB 3.32Å; G477-L481 PolarHBondContact O-N 3.2Å; N478-L481 PolarHBondContact O-N 2.86Å; L481-Y484 HydrophobicContact CD1-CD1 3.62Å; L481-Y484 HydrophobicContact CD1-CE1 4.11Å; L481-Y484 WeakPolarHBondContact O-CB 3.1Å; L481-Y484 PolarHBondContact O-N 2.63Å; L481-L485 HydrophobicContact CD1-CG 4.4Å; L481-L485 HydrophobicContact CD2-CD1 4.05Å; L481-L485 HydrophobicContact CG-CD1 3.83Å; L481-L485 HydrophobicContact CG-CG 4.19Å; L481-L485 WeakPolarHBondContact O-CG 3.4Å; L481-L485 PolarHBondContact O-N 3.1Å; L481-Y645 PolarHBondContact N-OH 3.44Å; L481-Y649 HydrophobicContact CB-CE1 4.13Å; L481-Y649 HydrophobicContact CD1-CD1 4.2Å; L481-Y649 HydrophobicContact CD1-CE1 4.48Å; L481-Y649 HydrophobicContact CD2-CD1 4.29Å; L481-Y649 HydrophobicContact CD2-CE1 3.88Å; L481-Y649 HydrophobicContact CG-CE1 4.38Å
482K94.9Very high96.7Very high119 Ų11928.5 Ų28.552%0.51713%0.132SC..Hα-helixtrans-56.8-57.6-178.9179.7-178.1170.4-174.30113.3N478 M480 Y484 L485 E486N478-K482 PolarHBondContact O-N 2.8Å; M480-K482 VanDerWaalsContact C-N 3.31Å; M480-K482 PolarHBondContact O-N 2.89Å; K482-Y484 VanDerWaalsContact C-N 3.26Å; K482-Y484 PolarHBondContact O-N 2.86Å; K482-L485 PolarHBondContact O-N 2.82Å; K482-L485 VanDerWaalsContact O-N 3.14Å; K482-E486 WeakPolarHBondContact CE-OE1 3.29Å; K482-E486 IonicContact NZ-OE1 3.89Å; K482-E486 WeakPolarHBondContact O-CG 3.31Å; K482-E486 PolarHBondContact O-N 2.8Å
483P96.9Very high96.8Very high12 Ų1227.3 Ų27.38%0.07812%0.123CC..Hα-helixtrans-64-30.6179.723.3-33.4000112.9R479 M480 E486 Q487 A621 E625R479-P483 WeakPolarHBondContact O-CD 3.17Å; M480-P483 WeakPolarHBondContact O-CD 3.26Å; M480-P483 WeakPolarHBondContact O-CG 3.23Å; P483-E486 PolarHBondContact O-N 3.24Å; P483-Q487 WeakPolarHBondContact O-CG 3.46Å; P483-Q487 PolarHBondContact O-N 3.1Å; P483-A621 HydrophobicContact CB-CB 4.11Å; P483-E625 HydrophobicContact CG-CB 3.87Å; P483-E625 HydrophobicContact CG-CG 4.17Å
484Y97.9Very high97.1Very high12 Ų1220.7 Ų20.75%0.04710%0.099CC..Hα-helixtrans-60.3-46.9172170-101.6000112.3L481 K482 A488 L505 V514 C618 L622L481-Y484 HydrophobicContact CD1-CD1 3.62Å; L481-Y484 HydrophobicContact CD1-CE1 4.11Å; L481-Y484 WeakPolarHBondContact O-CB 3.1Å; L481-Y484 PolarHBondContact O-N 2.63Å; K482-Y484 VanDerWaalsContact C-N 3.26Å; K482-Y484 PolarHBondContact O-N 2.86Å; Y484-A488 PolarHBondContact O-N 3.41Å; Y484-A488 VanDerWaalsContact O-N 3.14Å; Y484-L505 HydrophobicContact CE2-CD1 4.2Å; Y484-L505 HydrophobicContact CE2-CD2 4.07Å; Y484-L505 WeakPolarHBondContact OH-CD1 3.33Å; Y484-V514 HydrophobicContact CD1-CG2 3.91Å; Y484-V514 HydrophobicContact CE1-CB 3.58Å; Y484-V514 HydrophobicContact CE1-CG2 3.29Å; Y484-C618 HydrophobicContact CD2-CB 3.76Å; Y484-C618 WeakPolarHBondContact CD2-O 3.42Å; Y484-C618 HydrophobicContact CE2-CB 3.86Å; Y484-L622 HydrophobicContact CD2-CD1 4Å; Y484-L622 HydrophobicContact CG-CD1 4.07Å
485L96.6Very high97.3Very high43 Ų4321.1 Ų21.123%0.22510%0.104CC..Hα-helixtrans-66.7-41.3176.6-74.5167.8000112L481 K482 Q487 A488 F489 V514L481-L485 HydrophobicContact CD1-CG 4.4Å; L481-L485 HydrophobicContact CD2-CD1 4.05Å; L481-L485 HydrophobicContact CG-CD1 3.83Å; L481-L485 HydrophobicContact CG-CG 4.19Å; L481-L485 WeakPolarHBondContact O-CG 3.4Å; L481-L485 PolarHBondContact O-N 3.1Å; K482-L485 PolarHBondContact O-N 2.82Å; K482-L485 VanDerWaalsContact O-N 3.14Å; L485-Q487 PolarHBondContact O-N 3.42Å; L485-A488 WeakPolarHBondContact O-CB 3.48Å; L485-A488 PolarHBondContact O-N 2.7Å; L485-F489 HydrophobicContact CB-CE2 4.37Å; L485-F489 HydrophobicContact CB-CZ 4.37Å; L485-F489 HydrophobicContact CD2-CZ 4.32Å; L485-F489 WeakPolarHBondContact O-CD2 3.45Å; L485-F489 VanDerWaalsContact O-CG 3.24Å; L485-F489 WeakPolarHBondContact O-CG 3.5Å; L485-F489 PolarHBondContact O-N 3.13Å; L485-V514 HydrophobicContact CD2-CG2 3.28Å; L485-V514 HydrophobicContact CG-CG2 4.34Å
486E96.4Very high97.3Very high56 Ų5621.1 Ų21.126%0.26210%0.103SC..Hα-helixtrans-59.4-46.7178.1-73.7172.2168.700111.3K482 P483 A488 F489 F490K482-E486 WeakPolarHBondContact CE-OE1 3.29Å; K482-E486 IonicContact NZ-OE1 3.89Å; K482-E486 WeakPolarHBondContact O-CG 3.31Å; K482-E486 PolarHBondContact O-N 2.8Å; P483-E486 PolarHBondContact O-N 3.24Å; E486-A488 PolarHBondContact O-N 3.45Å; E486-F489 PolarHBondContact O-N 3.45Å; E486-F490 HydrophobicContact CB-CE2 3.94Å; E486-F490 HydrophobicContact CB-CZ 4.24Å; E486-F490 WeakPolarHBondContact O-CD2 3.5Å; E486-F490 WeakPolarHBondContact O-CG 3.37Å; E486-F490 PolarHBondContact O-N 2.78Å
487Q98.4Very high97.3Very high3 Ų322.6 Ų22.61%0.01411%0.113CC..Hα-helixtrans-62.3-42.8175.6-67.3-55.5-4400112.1P483 L485 F489 F490 L491 R617 A621P483-Q487 WeakPolarHBondContact O-CG 3.46Å; P483-Q487 PolarHBondContact O-N 3.1Å; L485-Q487 PolarHBondContact O-N 3.42Å; Q487-F489 VanDerWaalsContact C-N 3.28Å; Q487-F489 PolarHBondContact O-N 3.04Å; Q487-F490 PolarHBondContact O-N 2.83Å; Q487-L491 WeakPolarHBondContact O-CD1 3.16Å; Q487-L491 VanDerWaalsContact O-CG 3.23Å; Q487-L491 WeakPolarHBondContact O-CG 3.44Å; Q487-L491 PolarHBondContact O-N 2.9Å; Q487-R617 HydrophobicContact CB-CB 4.24Å; Q487-R617 HydrophobicContact CG-CB 4.32Å; Q487-R617 WeakPolarHBondContact CG-O 3.23Å; Q487-A621 HydrophobicContact CG-CB 3.7Å
488A98.3Very high97.4Very high0 Ų022.6 Ų22.60%011%0.113CC..Hα-helixtrans-57.2-42.6175.300000111.8Y484 L485 E486 L491 L492 V501 V514 F515Y484-A488 PolarHBondContact O-N 3.41Å; Y484-A488 VanDerWaalsContact O-N 3.14Å; L485-A488 WeakPolarHBondContact O-CB 3.48Å; L485-A488 PolarHBondContact O-N 2.7Å; E486-A488 PolarHBondContact O-N 3.45Å; A488-L491 PolarHBondContact O-N 3.03Å; A488-L492 PolarHBondContact O-N 3.44Å; A488-V501 HydrophobicContact CB-CG1 4.35Å; A488-V514 HydrophobicContact CB-CG1 3.81Å; A488-V514 HydrophobicContact CB-CG2 4.41Å; A488-F515 HydrophobicContact CB-CE2 4.14Å; A488-F515 HydrophobicContact CB-CZ 3.86Å
489F98.1Very high97.6Very high26 Ų2622.6 Ų22.611%0.11411%0.111CC..Hα-helixtrans-67.9-42.3177-59.3-21.4000112.5L485 E486 Q487 L491 L492 E493 F515 W574L485-F489 HydrophobicContact CB-CE2 4.37Å; L485-F489 HydrophobicContact CB-CZ 4.37Å; L485-F489 HydrophobicContact CD2-CZ 4.32Å; L485-F489 WeakPolarHBondContact O-CD2 3.45Å; L485-F489 VanDerWaalsContact O-CG 3.24Å; L485-F489 WeakPolarHBondContact O-CG 3.5Å; L485-F489 PolarHBondContact O-N 3.13Å; E486-F489 PolarHBondContact O-N 3.45Å; Q487-F489 VanDerWaalsContact C-N 3.28Å; Q487-F489 PolarHBondContact O-N 3.04Å; F489-L491 VanDerWaalsContact C-N 3.29Å; F489-L491 PolarHBondContact O-N 2.98Å; F489-L492 WeakPolarHBondContact O-CB 3.49Å; F489-L492 PolarHBondContact O-N 3.49Å; F489-L492 VanDerWaalsContact O-N 3.09Å; F489-E493 PolarHBondContact O-N 2.57Å; F489-E493 VanDerWaalsContact O-N 3.08Å; F489-F515 AromaticContact CD1-CE1 3.64Å; F489-F515 HydrophobicContact CD1-CE1 3.64Å; F489-F515 HydrophobicContact CD1-CZ 4.11Å; F489-F515 HydrophobicContact CE1-CD1 4.39Å; F489-F515 AromaticContact CE1-CE1 3.68Å; F489-F515 HydrophobicContact CE1-CE1 3.68Å; F489-F515 HydrophobicContact CE1-CZ 4.5Å; F489-W574 HydrophobicContact CD1-CH2 4.09Å; F489-W574 HydrophobicContact CD1-CZ2 4.01Å; F489-W574 HydrophobicContact CE1-CH2 4.03Å; F489-W574 AromaticContact CE1-CZ2 3.47Å; F489-W574 HydrophobicContact CE1-CZ2 3.47Å; F489-W574 VanDerWaalsContact CE1-CZ2 3.47Å; F489-W574 HydrophobicContact CZ-CZ2 4.07Å
490F98.3Very high97.6Very high1 Ų123.3 Ų23.30%0.00412%0.117CC..Hα-helixtrans-62.6-36.6177-60.6-31.5000112.5E486 Q487 L492 E493 E494 R552 V684E486-F490 HydrophobicContact CB-CE2 3.94Å; E486-F490 HydrophobicContact CB-CZ 4.24Å; E486-F490 WeakPolarHBondContact O-CD2 3.5Å; E486-F490 WeakPolarHBondContact O-CG 3.37Å; E486-F490 PolarHBondContact O-N 2.78Å; Q487-F490 PolarHBondContact O-N 2.83Å; F490-L492 VanDerWaalsContact C-N 3.28Å; F490-L492 PolarHBondContact O-N 3.41Å; F490-E493 WeakPolarHBondContact O-CB 3.49Å; F490-E493 PolarHBondContact O-N 3.39Å; F490-E493 VanDerWaalsContact O-N 3.14Å; F490-E494 WeakPolarHBondContact O-CB 3.5Å; F490-E494 WeakPolarHBondContact O-CG 3.13Å; F490-E494 PolarHBondContact O-N 2.87Å; F490-R552 HydrophobicContact CD1-CG 4.24Å; F490-R552 HydrophobicContact CE1-CB 4.24Å; F490-R552 HydrophobicContact CE1-CG 3.63Å; F490-R552 HydrophobicContact CZ-CB 3.95Å; F490-R552 HydrophobicContact CZ-CG 3.85Å; F490-V684 HydrophobicContact CD2-CG2 4.3Å; F490-V684 HydrophobicContact CE2-CG1 3.96Å; F490-V684 HydrophobicContact CE2-CG2 3.92Å
491L98.6Very high97.6Very high0 Ų023.3 Ų23.30%012%0.117CC..Hα-helixtrans-60.5-37.8173.4-69.1163.6000111.6Q487 A488 F489 E494 G495 A496 V501 I609 E613 V614Q487-L491 WeakPolarHBondContact O-CD1 3.16Å; Q487-L491 VanDerWaalsContact O-CG 3.23Å; Q487-L491 WeakPolarHBondContact O-CG 3.44Å; Q487-L491 PolarHBondContact O-N 2.9Å; A488-L491 PolarHBondContact O-N 3.03Å; F489-L491 VanDerWaalsContact C-N 3.29Å; F489-L491 PolarHBondContact O-N 2.98Å; L491-E494 PolarHBondContact O-N 3.38Å; L491-G495 PolarHBondContact O-N 3.2Å; L491-G495 VanDerWaalsContact O-N 3.14Å; L491-A496 HydrophobicContact CB-CB 4.15Å; L491-A496 VanDerWaalsContact O-CB 3.3Å; L491-A496 WeakPolarHBondContact O-CB 3.24Å; L491-A496 PolarHBondContact O-N 3.12Å; L491-V501 HydrophobicContact CB-CG2 4.31Å; L491-V501 HydrophobicContact CD1-CG2 4.46Å; L491-I609 HydrophobicContact CD2-CG2 3.66Å; L491-E613 HydrophobicContact CD2-CG 4.28Å; L491-V614 HydrophobicContact CD1-CB 4.36Å; L491-V614 HydrophobicContact CD1-CG1 4.25Å; L491-V614 HydrophobicContact CD1-CG2 4.21Å
492L98.4Very high97.7Very high0 Ų021.3 Ų21.30%011%0.106CC..Hα-helixtrans-66.2-41.9173.2-58.5-170.7000112.1A488 F489 F490 E494 G495 A496 P498 V501 F515 L556 W574 L595 R599A488-L492 PolarHBondContact O-N 3.44Å; F489-L492 WeakPolarHBondContact O-CB 3.49Å; F489-L492 PolarHBondContact O-N 3.49Å; F489-L492 VanDerWaalsContact O-N 3.09Å; F490-L492 VanDerWaalsContact C-N 3.28Å; F490-L492 PolarHBondContact O-N 3.41Å; L492-E494 PolarHBondContact O-N 2.96Å; L492-G495 PolarHBondContact O-N 3.04Å; L492-A496 HydrophobicContact CD2-CB 4.35Å; L492-A496 WeakPolarHBondContact CD2-O 3.43Å; L492-P498 HydrophobicContact CD1-CG 4.16Å; L492-P498 HydrophobicContact CD2-CG 4.25Å; L492-V501 HydrophobicContact CD2-CG2 4.44Å; L492-F515 HydrophobicContact CD1-CD1 4.49Å; L492-F515 HydrophobicContact CD1-CE1 3.56Å; L492-F515 HydrophobicContact CD1-CE2 4.21Å; L492-F515 HydrophobicContact CD1-CZ 3.4Å; L492-F515 VanDerWaalsContact CD1-CZ 3.4Å; L492-F515 HydrophobicContact CD2-CE2 4.03Å; L492-F515 HydrophobicContact CD2-CZ 3.94Å; L492-F515 HydrophobicContact CG-CE1 4.27Å; L492-F515 HydrophobicContact CG-CE2 4.21Å; L492-F515 HydrophobicContact CG-CZ 3.6Å; L492-L556 HydrophobicContact CB-CD1 3.9Å; L492-L556 HydrophobicContact CD1-CD1 4.37Å; L492-W574 HydrophobicContact CD1-CE3 4.03Å; L492-W574 HydrophobicContact CD1-CH2 4.24Å; L492-W574 HydrophobicContact CD1-CZ3 3.58Å; L492-L595 HydrophobicContact CB-CD2 4.27Å; L492-R599 VanDerWaalsContact O-CZ 3.29Å; L492-R599 PolarHBondContact O-NE 2.91Å; L492-R599 VanDerWaalsContact O-NE 3.08Å; L492-R599 PolarHBondContact O-NH2 3.47Å
493E97.4Very high97.8Very high1 Ų120.5 Ų20.51%0.00510%0.104CC..Hα-helixtrans-60.2-31.3175.5-63.3-166.1158.300112F489 F490 R546 R552 S554 L556 Y598 R599 L604F489-E493 PolarHBondContact O-N 2.57Å; F489-E493 VanDerWaalsContact O-N 3.08Å; F490-E493 WeakPolarHBondContact O-CB 3.49Å; F490-E493 PolarHBondContact O-N 3.39Å; F490-E493 VanDerWaalsContact O-N 3.14Å; E493-R546 IonicContact OE1-NE 3.36Å; E493-R546 IonicContact OE2-CZ 2.78Å; E493-R546 IonicContact OE2-NE 3.91Å; E493-R546 PolarHBondContact OE2-NE 3.32Å; E493-R546 IonicContact OE2-NH2 2.72Å; E493-R546 PolarHBondContact OE2-NH2 3.25Å; E493-R552 IonicContact OE2-CZ 2.86Å; E493-R552 IonicContact OE2-NE 2.73Å; E493-R552 PolarHBondContact OE2-NE 3.07Å; E493-R552 IonicContact OE2-NH2 3.7Å; E493-R552 PolarHBondContact OE2-NH2 3.21Å; E493-S554 WeakPolarHBondContact OE1-CB 3.36Å; E493-S554 PolarHBondContact OE1-OG 3.09Å; E493-L556 HydrophobicContact CG-CD1 3.83Å; E493-L556 HydrophobicContact CG-CG 4.4Å; E493-Y598 HydrophobicContact CG-CE1 3.84Å; E493-Y598 PolarHBondContact OE1-OH 3.37Å; E493-R599 WeakPolarHBondContact O-CG 3.49Å; E493-L604 HydrophobicContact CB-CD1 4Å
494E97.3Very high97.8Very high16 Ų1620.3 Ų20.38%0.07510%0.103CC..Hα-helixtrans-92.5-7.6-173.4-68167.6-142.600114F490 L491 L492 R552 R607 I609 R617 H681F490-E494 WeakPolarHBondContact O-CB 3.5Å; F490-E494 WeakPolarHBondContact O-CG 3.13Å; F490-E494 PolarHBondContact O-N 2.87Å; L491-E494 PolarHBondContact O-N 3.38Å; L492-E494 PolarHBondContact O-N 2.96Å; E494-R552 IonicContact OE1-CZ 3.29Å; E494-R552 IonicContact OE1-NH1 2.74Å; E494-R552 PolarHBondContact OE1-NH1 2.58Å; E494-R552 IonicContact OE1-NH2 3.13Å; E494-R552 PolarHBondContact OE1-NH2 2.83Å; E494-R607 WeakPolarHBondContact O-CG 3.47Å; E494-R607 PolarHBondContact O-N 3.44Å; E494-R607 IonicContact OE2-CZ 3.45Å; E494-R607 IonicContact OE2-NE 3.7Å; E494-R607 IonicContact OE2-NH2 3.48Å; E494-R607 PolarHBondContact OE2-NH2 3.07Å; E494-I609 HydrophobicContact CB-CD1 4.09Å; E494-R617 IonicContact OE1-CZ 2.62Å; E494-R617 IonicContact OE1-NH1 3.81Å; E494-R617 IonicContact OE1-NH2 2.8Å; E494-R617 PolarHBondContact OE1-NH2 2.89Å; E494-R617 IonicContact OE2-CZ 3.33Å; E494-R617 IonicContact OE2-NH1 2.67Å; E494-R617 PolarHBondContact OE2-NH1 2.85Å; E494-R617 IonicContact OE2-NH2 3.57Å; E494-H681 IonicContact OE1-CE1 3.89Å; E494-H681 PolarHBondContact OE1-CE1 2.99Å; E494-H681 IonicContact OE1-NE2 2.92Å; E494-H681 IonicContact OE2-CE1 2.81Å; E494-H681 IonicContact OE2-NE2 2.74Å
495G97.1Very high97.7Very high17 Ų1719.8 Ų19.818%0.17510%0.1CC..THydrogen-bonded Turntrans139.3-15.9172.100000115.5L491 L492 R599L491-G495 PolarHBondContact O-N 3.2Å; L491-G495 VanDerWaalsContact O-N 3.14Å; L492-G495 PolarHBondContact O-N 3.04Å; G495-R599 VanDerWaalsContact C-NH2 3.28Å; G495-R599 PolarHBondContact O-NH2 2.83Å
496A98.1Very high97.6Very high0 Ų018.8 Ų18.80%010%0.095CC..  trans-70.4165.9178.200000112.3L491 L492 V501 R599 I609L491-A496 HydrophobicContact CB-CB 4.15Å; L491-A496 VanDerWaalsContact O-CB 3.3Å; L491-A496 WeakPolarHBondContact O-CB 3.24Å; L491-A496 PolarHBondContact O-N 3.12Å; L492-A496 HydrophobicContact CD2-CB 4.35Å; L492-A496 WeakPolarHBondContact CD2-O 3.43Å; A496-V501 HydrophobicContact CB-CG2 3.93Å; A496-R599 PolarHBondContact O-NH2 2.98Å; A496-I609 HydrophobicContact CB-CB 4.27Å; A496-I609 HydrophobicContact CB-CG1 3.95Å
497T98.2Very high97.5Very high32 Ų3219.7 Ų19.720%0.19610%0.099CC..  trans-115.2159.616965.40000111E499 Q500 V501T497-E499 VanDerWaalsContact C-N 3.3Å; T497-E499 WeakPolarHBondContact CB-OE1 3.37Å; T497-E499 PolarHBondContact O-N 3.03Å; T497-E499 WeakPolarHBondContact OG1-CG 3.44Å; T497-E499 PolarHBondContact OG1-OE1 3.14Å; T497-Q500 WeakPolarHBondContact O-CB 3.36Å; T497-Q500 PolarHBondContact O-N 2.99Å; T497-Q500 VanDerWaalsContact O-N 3.14Å; T497-Q500 PolarHBondContact OG1-N 3.19Å; T497-V501 PolarHBondContact O-N 2.9Å; T497-V501 VanDerWaalsContact O-N 3.14Å
498P98.4Very high97.2Very high0 Ų019.7 Ų19.70%010%0.099CC..Hα-helixtrans-57.1-42.8179-25.233.7000112.8L492 Q500 V501 D502 F515 W574 Y575 L591L492-P498 HydrophobicContact CD1-CG 4.16Å; L492-P498 HydrophobicContact CD2-CG 4.25Å; P498-Q500 VanDerWaalsContact C-N 3.33Å; P498-Q500 PolarHBondContact O-N 3.26Å; P498-V501 PolarHBondContact O-N 3.13Å; P498-D502 VanDerWaalsContact O-CB 3.27Å; P498-D502 WeakPolarHBondContact O-CB 3.2Å; P498-D502 PolarHBondContact O-N 3.33Å; P498-F515 HydrophobicContact CB-CB 3.92Å; P498-F515 HydrophobicContact CB-CD1 4.42Å; P498-F515 HydrophobicContact CB-CD2 3.71Å; P498-F515 HydrophobicContact CB-CE2 4.33Å; P498-F515 HydrophobicContact CB-CG 3.76Å; P498-W574 HydrophobicContact CB-CB 4.48Å; P498-W574 HydrophobicContact CG-CB 4.5Å; P498-W574 HydrophobicContact CG-CE3 4.36Å; P498-Y575 VanDerWaalsContact C-OH 3.23Å; P498-Y575 HydrophobicContact CB-CE2 4.3Å; P498-Y575 PolarHBondContact O-OH 2.93Å; P498-L591 HydrophobicContact CG-CD2 3.48Å; P498-L591 VanDerWaalsContact CG-CD2 3.48Å
499E98.1Very high96.9Very high49 Ų4920.2 Ų20.223%0.22910%0.104CC..Hα-helixtrans-61.6-37176.561.3-79.5-175.700113.4T497 Q503 Y575 P587 H592T497-E499 VanDerWaalsContact C-N 3.3Å; T497-E499 WeakPolarHBondContact CB-OE1 3.37Å; T497-E499 PolarHBondContact O-N 3.03Å; T497-E499 WeakPolarHBondContact OG1-CG 3.44Å; T497-E499 PolarHBondContact OG1-OE1 3.14Å; E499-Q503 WeakPolarHBondContact O-CB 3.38Å; E499-Q503 PolarHBondContact O-N 3.36Å; E499-Y575 VanDerWaalsContact CA-OH 3.26Å; E499-Y575 WeakPolarHBondContact CA-OH 3.32Å; E499-Y575 HydrophobicContact CB-CE1 4.26Å; E499-Y575 PolarHBondContact N-OH 3.41Å; E499-P587 HydrophobicContact CG-CG 4.45Å; E499-H592 IonicContact OE1-CD2 3.95Å; E499-H592 IonicContact OE1-CE1 2.69Å; E499-H592 IonicContact OE1-NE2 3.5Å; E499-H592 PolarHBondContact OE1-NE2 2.85Å; E499-H592 IonicContact OE2-NE2 3.5Å
500Q98.1Very high96.7Very high60 Ų6019.6 Ų19.628%0.2810%0.102SC..Hα-helixtrans-65.5-48.3176.3-173.6-175.87.400110.9T497 P498 Q503 V504 I609T497-Q500 WeakPolarHBondContact O-CB 3.36Å; T497-Q500 PolarHBondContact O-N 2.99Å; T497-Q500 VanDerWaalsContact O-N 3.14Å; T497-Q500 PolarHBondContact OG1-N 3.19Å; P498-Q500 VanDerWaalsContact C-N 3.33Å; P498-Q500 PolarHBondContact O-N 3.26Å; Q500-Q503 PolarHBondContact O-N 3.49Å; Q500-V504 WeakPolarHBondContact O-CG2 3.42Å; Q500-V504 PolarHBondContact O-N 3.28Å; Q500-V504 VanDerWaalsContact O-N 3.16Å; Q500-I609 PolarHBondContact NE2-O 3.39Å
501V98.6Very high96.2Very high0 Ų024.3 Ų24.30%014%0.141CC..Hα-helixtrans-65.2-46.7-179.9174.50000111.1A488 L491 L492 A496 T497 P498 Q503 V504 L505 V514 F515 V614A488-V501 HydrophobicContact CB-CG1 4.35Å; L491-V501 HydrophobicContact CB-CG2 4.31Å; L491-V501 HydrophobicContact CD1-CG2 4.46Å; L492-V501 HydrophobicContact CD2-CG2 4.44Å; A496-V501 HydrophobicContact CB-CG2 3.93Å; T497-V501 PolarHBondContact O-N 2.9Å; T497-V501 VanDerWaalsContact O-N 3.14Å; P498-V501 PolarHBondContact O-N 3.13Å; V501-Q503 VanDerWaalsContact C-N 3.35Å; V501-Q503 PolarHBondContact O-N 3.08Å; V501-V504 PolarHBondContact O-N 2.85Å; V501-L505 HydrophobicContact CG1-CD1 3.69Å; V501-L505 WeakPolarHBondContact O-CD1 3.14Å; V501-L505 WeakPolarHBondContact O-CG 3.35Å; V501-L505 PolarHBondContact O-N 3.45Å; V501-L505 VanDerWaalsContact O-N 3.1Å; V501-V514 HydrophobicContact CG1-CG1 3.91Å; V501-F515 HydrophobicContact CB-CD2 4.17Å; V501-F515 HydrophobicContact CB-CE2 3.73Å; V501-F515 HydrophobicContact CG1-CD2 4.26Å; V501-F515 HydrophobicContact CG1-CE2 3.76Å; V501-F515 HydrophobicContact CG2-CE2 4.14Å; V501-V614 HydrophobicContact CB-CG1 4.31Å; V501-V614 HydrophobicContact CG1-CG1 3.93Å; V501-V614 HydrophobicContact CG2-CG1 4.35Å; V501-V614 HydrophobicContact CG2-CG2 4.43Å
502D98.1Very high95.9Very high0 Ų027.8 Ų27.80%016%0.158CC..Hα-helixtrans-63.6-40.2179-84.19.8000111.8P498 L505 E506 G513 V514 F515 K516 Y575P498-D502 VanDerWaalsContact O-CB 3.27Å; P498-D502 WeakPolarHBondContact O-CB 3.2Å; P498-D502 PolarHBondContact O-N 3.33Å; D502-L505 PolarHBondContact O-N 2.97Å; D502-E506 VanDerWaalsContact O-CB 3.3Å; D502-E506 WeakPolarHBondContact O-CB 3.37Å; D502-E506 WeakPolarHBondContact O-CG 3.21Å; D502-E506 PolarHBondContact O-N 3.24Å; D502-G513 VanDerWaalsContact CG-C 3.48Å; D502-G513 WeakPolarHBondContact OD1-CA 3.37Å; D502-V514 WeakPolarHBondContact OD1-CG1 3.26Å; D502-V514 PolarHBondContact OD1-N 3.13Å; D502-F515 WeakPolarHBondContact OD1-CD2 3.29Å; D502-F515 PolarHBondContact OD1-N 3.31Å; D502-F515 PolarHBondContact OD2-N 2.89Å; D502-K516 VanDerWaalsContact OD2-CG 3.27Å; D502-K516 WeakPolarHBondContact OD2-CG 3.35Å; D502-K516 PolarHBondContact OD2-N 2.85Å; D502-Y575 PolarHBondContact OD2-OH 2.98Å
503Q96.4Very high95.7Very high103 Ų10327.8 Ų27.848%0.48116%0.158SC..Hα-helixtrans-60.2-47.7176.8177.3176.8-7.200111.2E499 Q500 V501 L505 E506 E507E499-Q503 WeakPolarHBondContact O-CB 3.38Å; E499-Q503 PolarHBondContact O-N 3.36Å; Q500-Q503 PolarHBondContact O-N 3.49Å; V501-Q503 VanDerWaalsContact C-N 3.35Å; V501-Q503 PolarHBondContact O-N 3.08Å; Q503-L505 PolarHBondContact O-N 2.75Å; Q503-E506 PolarHBondContact O-N 3.01Å; Q503-E507 HydrophobicContact CG-CG 4.35Å; Q503-E507 VanDerWaalsContact CG-OE1 3.24Å; Q503-E507 WeakPolarHBondContact CG-OE1 3.39Å; Q503-E507 PolarHBondContact NE2-OE1 3.44Å; Q503-E507 WeakPolarHBondContact O-CB 3.05Å; Q503-E507 VanDerWaalsContact O-CG 3.26Å; Q503-E507 WeakPolarHBondContact O-CG 3.18Å; Q503-E507 PolarHBondContact O-N 3Å
504V97.6Very high95.6Very high8 Ų828 Ų285%0.04816%0.159CC..Hα-helixtrans-59.5-46.1178.9165.20000111.5Q500 V501 E507 F508 H611 V614 L615Q500-V504 WeakPolarHBondContact O-CG2 3.42Å; Q500-V504 PolarHBondContact O-N 3.28Å; Q500-V504 VanDerWaalsContact O-N 3.16Å; V501-V504 PolarHBondContact O-N 2.85Å; V504-E507 PolarHBondContact O-N 3.02Å; V504-F508 PolarHBondContact O-N 3.02Å; V504-H611 WeakPolarHBondContact CG1-CD2 3.44Å; V504-H611 HydrophobicContact CG2-CB 4.24Å; V504-V614 HydrophobicContact CB-CB 4.27Å; V504-V614 HydrophobicContact CB-CG1 3.91Å; V504-V614 HydrophobicContact CG1-CB 3.82Å; V504-V614 HydrophobicContact CG1-CG1 3.65Å; V504-V614 HydrophobicContact CG2-CB 4.43Å; V504-V614 HydrophobicContact CG2-CG1 4.5Å; V504-L615 HydrophobicContact CG1-CD1 4.4Å; V504-L615 HydrophobicContact CG1-CD2 3.45Å; V504-L615 VanDerWaalsContact CG1-CD2 3.45Å; V504-L615 HydrophobicContact CG1-CG 3.51Å
505L96.5Very high95.7Very high0 Ų027.2 Ų27.20%016%0.156CC..Hα-helixtrans-70.1-34.8-179.6-64.9164.1000112Y484 V501 D502 Q503 F508 G509 F510 V514 L615 C618 L619Y484-L505 HydrophobicContact CE2-CD1 4.2Å; Y484-L505 HydrophobicContact CE2-CD2 4.07Å; Y484-L505 WeakPolarHBondContact OH-CD1 3.33Å; V501-L505 HydrophobicContact CG1-CD1 3.69Å; V501-L505 WeakPolarHBondContact O-CD1 3.14Å; V501-L505 WeakPolarHBondContact O-CG 3.35Å; V501-L505 PolarHBondContact O-N 3.45Å; V501-L505 VanDerWaalsContact O-N 3.1Å; D502-L505 PolarHBondContact O-N 2.97Å; Q503-L505 PolarHBondContact O-N 2.75Å; L505-F508 WeakPolarHBondContact O-CB 3.34Å; L505-F508 PolarHBondContact O-N 3.47Å; L505-G509 PolarHBondContact O-N 3.48Å; L505-F510 HydrophobicContact CB-CD2 4.29Å; L505-F510 WeakPolarHBondContact O-CD2 3.27Å; L505-F510 PolarHBondContact O-N 3.31Å; L505-F510 VanDerWaalsContact O-N 3.13Å; L505-V514 HydrophobicContact CD1-CB 4.18Å; L505-V514 HydrophobicContact CD1-CG1 3.78Å; L505-L615 HydrophobicContact CD2-CD2 4.32Å; L505-C618 HydrophobicContact CD2-CB 4.19Å; L505-L619 HydrophobicContact CD2-CD2 4.28Å
506E94.5Very high95.7Very high22 Ų2228.8 Ų28.810%0.10316%0.158CC..Hα-helixtrans-70.8-34.4173.2-72.3175.6-172.500112.8R224 D502 Q503 F508 G509 F510 G513 K516R224-E506 IonicContact NH1-OE2 2.78Å; R224-E506 PolarHBondContact NH1-OE2 3.34Å; R224-E506 VanDerWaalsContact NH1-OE2 3.16Å; D502-E506 VanDerWaalsContact O-CB 3.3Å; D502-E506 WeakPolarHBondContact O-CB 3.37Å; D502-E506 WeakPolarHBondContact O-CG 3.21Å; D502-E506 PolarHBondContact O-N 3.24Å; Q503-E506 PolarHBondContact O-N 3.01Å; E506-F508 VanDerWaalsContact C-N 3.34Å; E506-G509 WeakPolarHBondContact O-CA 3.49Å; E506-G509 PolarHBondContact O-N 2.95Å; E506-F510 WeakPolarHBondContact CA-O 3.43Å; E506-G513 PolarHBondContact OE1-N 3.02Å; E506-K516 WeakPolarHBondContact OE1-CD 3.35Å; E506-K516 WeakPolarHBondContact OE1-CE 3.5Å; E506-K516 IonicContact OE1-NZ 3.2Å; E506-K516 PolarHBondContact OE1-NZ 3.36Å; E506-K516 IonicContact OE2-NZ 2.7Å; E506-K516 PolarHBondContact OE2-NZ 3.35Å
507E92.4Very high95.5Very high76 Ų7631.8 Ų31.836%0.35518%0.176SC..Hα-helixtrans-67.8-34.5172.6-76.5175.5-171.100112Q503 V504 G509 H611Q503-E507 HydrophobicContact CG-CG 4.35Å; Q503-E507 VanDerWaalsContact CG-OE1 3.24Å; Q503-E507 WeakPolarHBondContact CG-OE1 3.39Å; Q503-E507 PolarHBondContact NE2-OE1 3.44Å; Q503-E507 WeakPolarHBondContact O-CB 3.05Å; Q503-E507 VanDerWaalsContact O-CG 3.26Å; Q503-E507 WeakPolarHBondContact O-CG 3.18Å; Q503-E507 PolarHBondContact O-N 3Å; V504-E507 PolarHBondContact O-N 3.02Å; E507-G509 PolarHBondContact O-N 3.14Å; E507-H611 IonicContact OE2-CE1 2.87Å; E507-H611 PolarHBondContact OE2-CE1 3.03Å; E507-H611 IonicContact OE2-ND1 2.71Å
508F93.4Very high95.4Very high3 Ų331.4 Ų31.41%0.01317%0.174CC..Hα-helixtrans-58.8-37.5168.7178.8-99.9000111.9V504 L505 E506 F510 L615 L619 W651 P652 R655 Y661V504-F508 PolarHBondContact O-N 3.02Å; L505-F508 WeakPolarHBondContact O-CB 3.34Å; L505-F508 PolarHBondContact O-N 3.47Å; E506-F508 VanDerWaalsContact C-N 3.34Å; F508-F510 AromaticContact CD1-CD2 3.83Å; F508-F510 HydrophobicContact CD1-CD2 3.83Å; F508-F510 AromaticContact CD1-CE2 3.67Å; F508-F510 HydrophobicContact CD1-CE2 3.67Å; F508-F510 AromaticContact CE1-CE2 3.96Å; F508-F510 HydrophobicContact CE1-CE2 3.96Å; F508-L615 HydrophobicContact CB-CD2 3.74Å; F508-L615 HydrophobicContact CD2-CD1 4.48Å; F508-L615 HydrophobicContact CD2-CD2 4.04Å; F508-L615 HydrophobicContact CG-CD2 4.11Å; F508-L619 HydrophobicContact CD1-CD1 4.26Å; F508-L619 HydrophobicContact CD2-CD1 3.87Å; F508-L619 HydrophobicContact CE1-CD1 3.93Å; F508-L619 HydrophobicContact CE1-CD2 4.48Å; F508-L619 HydrophobicContact CE2-CD1 3.51Å; F508-L619 HydrophobicContact CG-CD1 4.22Å; F508-L619 HydrophobicContact CZ-CD1 3.53Å; F508-W651 HydrophobicContact CE1-CH2 4.05Å; F508-W651 AromaticContact CE1-CZ2 3.84Å; F508-W651 HydrophobicContact CE1-CZ2 3.84Å; F508-W651 HydrophobicContact CZ-CH2 4.03Å; F508-W651 AromaticContact CZ-CZ2 3.75Å; F508-W651 HydrophobicContact CZ-CZ2 3.75Å; F508-P652 HydrophobicContact CD1-CG 3.8Å; F508-P652 HydrophobicContact CE1-CG 3.64Å; F508-R655 VanDerWaalsContact CD2-CZ 3.48Å; F508-R655 VanDerWaalsContact CE2-CD 3.48Å; F508-R655 VanDerWaalsContact CE2-NH1 3.31Å; F508-R655 VanDerWaalsContact O-CZ 3.25Å; F508-R655 PolarHBondContact O-NE 2.87Å; F508-R655 PolarHBondContact O-NH2 3.46Å; F508-Y661 HydrophobicContact CE2-CD2 4.37Å; F508-Y661 AromaticContact CE2-CE1 3.92Å; F508-Y661 HydrophobicContact CE2-CE1 3.92Å; F508-Y661 AromaticContact CE2-CE2 3.77Å; F508-Y661 HydrophobicContact CE2-CE2 3.77Å; F508-Y661 AromaticContact CE2-CZ 3.52Å; F508-Y661 HydrophobicContact CZ-CD1 4.16Å; F508-Y661 HydrophobicContact CZ-CD2 4.2Å; F508-Y661 AromaticContact CZ-CE1 3.99Å; F508-Y661 HydrophobicContact CZ-CE1 3.99Å; F508-Y661 HydrophobicContact CZ-CE2 4.06Å; F508-Y661 HydrophobicContact CZ-CG 4.27Å; F508-Y661 AromaticContact CZ-CZ 3.96Å
509G92.3Very high95.3Very high11 Ų1131.4 Ų31.411%0.11318%0.175CC..THydrogen-bonded Turntrans136.35.6171.100000115.1L505 E506 E507L505-G509 PolarHBondContact O-N 3.48Å; E506-G509 WeakPolarHBondContact O-CA 3.49Å; E506-G509 PolarHBondContact O-N 2.95Å; E507-G509 PolarHBondContact O-N 3.14Å
510F93.2Very high95.1Very high12 Ų1233.6 Ų33.65%0.05319%0.187CC..  trans-62.6142.2170.7-74.6-86.2000110.2L505 E506 F508 M512 L619 G650 W651L505-F510 HydrophobicContact CB-CD2 4.29Å; L505-F510 WeakPolarHBondContact O-CD2 3.27Å; L505-F510 PolarHBondContact O-N 3.31Å; L505-F510 VanDerWaalsContact O-N 3.13Å; E506-F510 WeakPolarHBondContact CA-O 3.43Å; F508-F510 AromaticContact CD1-CD2 3.83Å; F508-F510 HydrophobicContact CD1-CD2 3.83Å; F508-F510 AromaticContact CD1-CE2 3.67Å; F508-F510 HydrophobicContact CD1-CE2 3.67Å; F508-F510 AromaticContact CE1-CE2 3.96Å; F508-F510 HydrophobicContact CE1-CE2 3.96Å; F510-M512 PolarHBondContact O-N 3.44Å; F510-L619 HydrophobicContact CE2-CD2 3.93Å; F510-L619 HydrophobicContact CZ-CD2 4.33Å; F510-G650 WeakPolarHBondContact CD1-O 3.39Å; F510-W651 HydrophobicContact CE1-CB 4.41Å; F510-W651 HydrophobicContact CE1-CE3 4.29Å; F510-W651 HydrophobicContact CE2-CE3 4.44Å; F510-W651 HydrophobicContact CZ-CD2 4.27Å; F510-W651 AromaticContact CZ-CE3 3.59Å; F510-W651 HydrophobicContact CZ-CE3 3.59Å; F510-W651 HydrophobicContact CZ-CZ3 4.03Å
511A88.4Confident94.8Very high101 Ų10134.5 Ų34.584%0.83520%0.2SC*.SBendtrans-66.6-25.3178.800000112.7
512M91.3Very high94.5Very high73 Ų7334.7 Ų34.736%0.3620%0.202SC..SBendtrans-152.4136-178.2-175.1177.1-67.400108.3F510 K516 V517 L520F510-M512 PolarHBondContact O-N 3.44Å; M512-K516 HydrophobicContact CG-CB 3.33Å; M512-K516 HydrophobicContact CG-CD 4.17Å; M512-K516 HydrophobicContact CG-CG 4.39Å; M512-K516 HydrophobicContact SD-CB 3.72Å; M512-V517 HydrophobicContact CB-CG2 3.89Å; M512-V517 HydrophobicContact CG-CG2 3.76Å; M512-V517 HydrophobicContact SD-CB 4.5Å; M512-V517 HydrophobicContact SD-CG2 3.79Å; M512-L520 HydrophobicContact CE-CD2 4.23Å; M512-L520 HydrophobicContact SD-CD2 4.13Å
513G94.1Very high94.4Very high0 Ų035 Ų350%020%0.204CC..  trans-65.4163.1175.200000113.3D502 E506 F515 K516 V517D502-G513 VanDerWaalsContact CG-C 3.48Å; D502-G513 WeakPolarHBondContact OD1-CA 3.37Å; E506-G513 PolarHBondContact OE1-N 3.02Å; G513-F515 VanDerWaalsContact C-N 3.34Å; G513-F515 PolarHBondContact O-N 3.13Å; G513-K516 PolarHBondContact O-N 3.36Å; G513-V517 WeakPolarHBondContact O-CG2 3.4Å; G513-V517 PolarHBondContact O-N 3.16Å
514V96.6Very high94.2Very high5 Ų531 Ų313%0.0319%0.186CC..Hα-helixtrans-59.5-40.3-173.861.30000113.4Y484 L485 A488 V501 D502 L505 V517 S518Y484-V514 HydrophobicContact CD1-CG2 3.91Å; Y484-V514 HydrophobicContact CE1-CB 3.58Å; Y484-V514 HydrophobicContact CE1-CG2 3.29Å; L485-V514 HydrophobicContact CD2-CG2 3.28Å; L485-V514 HydrophobicContact CG-CG2 4.34Å; A488-V514 HydrophobicContact CB-CG1 3.81Å; A488-V514 HydrophobicContact CB-CG2 4.41Å; V501-V514 HydrophobicContact CG1-CG1 3.91Å; D502-V514 WeakPolarHBondContact OD1-CG1 3.26Å; D502-V514 PolarHBondContact OD1-N 3.13Å; L505-V514 HydrophobicContact CD1-CB 4.18Å; L505-V514 HydrophobicContact CD1-CG1 3.78Å; V514-V517 PolarHBondContact O-N 3.22Å; V514-S518 PolarHBondContact O-N 3.43Å
515F98.1Very high93.8Very high0 Ų034.6 Ų34.60%021%0.208CC..Hα-helixtrans-74.9-39.4-177.8-67.6-69.5000111.7A488 F489 L492 P498 V501 D502 G513 V517 S518 D519 W574 Y575A488-F515 HydrophobicContact CB-CE2 4.14Å; A488-F515 HydrophobicContact CB-CZ 3.86Å; F489-F515 AromaticContact CD1-CE1 3.64Å; F489-F515 HydrophobicContact CD1-CE1 3.64Å; F489-F515 HydrophobicContact CD1-CZ 4.11Å; F489-F515 HydrophobicContact CE1-CD1 4.39Å; F489-F515 AromaticContact CE1-CE1 3.68Å; F489-F515 HydrophobicContact CE1-CE1 3.68Å; F489-F515 HydrophobicContact CE1-CZ 4.5Å; L492-F515 HydrophobicContact CD1-CD1 4.49Å; L492-F515 HydrophobicContact CD1-CE1 3.56Å; L492-F515 HydrophobicContact CD1-CE2 4.21Å; L492-F515 HydrophobicContact CD1-CZ 3.4Å; L492-F515 VanDerWaalsContact CD1-CZ 3.4Å; L492-F515 HydrophobicContact CD2-CE2 4.03Å; L492-F515 HydrophobicContact CD2-CZ 3.94Å; L492-F515 HydrophobicContact CG-CE1 4.27Å; L492-F515 HydrophobicContact CG-CE2 4.21Å; L492-F515 HydrophobicContact CG-CZ 3.6Å; P498-F515 HydrophobicContact CB-CB 3.92Å; P498-F515 HydrophobicContact CB-CD1 4.42Å; P498-F515 HydrophobicContact CB-CD2 3.71Å; P498-F515 HydrophobicContact CB-CE2 4.33Å; P498-F515 HydrophobicContact CB-CG 3.76Å; V501-F515 HydrophobicContact CB-CD2 4.17Å; V501-F515 HydrophobicContact CB-CE2 3.73Å; V501-F515 HydrophobicContact CG1-CD2 4.26Å; V501-F515 HydrophobicContact CG1-CE2 3.76Å; V501-F515 HydrophobicContact CG2-CE2 4.14Å; D502-F515 WeakPolarHBondContact OD1-CD2 3.29Å; D502-F515 PolarHBondContact OD1-N 3.31Å; D502-F515 PolarHBondContact OD2-N 2.89Å; G513-F515 VanDerWaalsContact C-N 3.34Å; G513-F515 PolarHBondContact O-N 3.13Å; F515-V517 VanDerWaalsContact C-N 3.33Å; F515-V517 PolarHBondContact O-N 3.03Å; F515-S518 WeakPolarHBondContact O-CB 3.48Å; F515-S518 PolarHBondContact O-N 3.14Å; F515-D519 PolarHBondContact O-N 2.84Å; F515-W574 HydrophobicContact CB-CB 4.03Å; F515-W574 HydrophobicContact CB-CG 4.04Å; F515-W574 HydrophobicContact CD1-CB 4.38Å; F515-W574 AromaticContact CD1-CD1 3.8Å; F515-W574 AromaticContact CD1-CD2 3.51Å; F515-W574 HydrophobicContact CD1-CD2 3.51Å; F515-W574 AromaticContact CD1-CE2 3.61Å; F515-W574 HydrophobicContact CD1-CE3 4.01Å; F515-W574 AromaticContact CD1-CG 3.66Å; F515-W574 HydrophobicContact CD1-CG 3.66Å; F515-W574 HydrophobicContact CD1-CZ2 4.21Å; F515-W574 AromaticContact CD1-NE1 3.75Å; F515-W574 AromaticContact CE1-CD2 3.99Å; F515-W574 HydrophobicContact CE1-CD2 3.99Å; F515-W574 AromaticContact CE1-CE2 3.93Å; F515-W574 HydrophobicContact CE1-CE3 4.12Å; F515-W574 HydrophobicContact CE1-CH2 4.19Å; F515-W574 HydrophobicContact CE1-CZ2 4.05Å; F515-W574 HydrophobicContact CE1-CZ3 4.22Å; F515-W574 HydrophobicContact CG-CD2 4.47Å; F515-W574 HydrophobicContact CG-CG 4.27Å; F515-Y575 HydrophobicContact CB-CE2 3.88Å
516K96.9Very high93.4Very high50 Ų5036 Ų3622%0.21722%0.222CC..Hα-helixtrans-61-40.1170.1-72.9169.2-162169.90112.1D502 E506 M512 G513 D519 L520 Y575 A585D502-K516 VanDerWaalsContact OD2-CG 3.27Å; D502-K516 WeakPolarHBondContact OD2-CG 3.35Å; D502-K516 PolarHBondContact OD2-N 2.85Å; E506-K516 WeakPolarHBondContact OE1-CD 3.35Å; E506-K516 WeakPolarHBondContact OE1-CE 3.5Å; E506-K516 IonicContact OE1-NZ 3.2Å; E506-K516 PolarHBondContact OE1-NZ 3.36Å; E506-K516 IonicContact OE2-NZ 2.7Å; E506-K516 PolarHBondContact OE2-NZ 3.35Å; M512-K516 HydrophobicContact CG-CB 3.33Å; M512-K516 HydrophobicContact CG-CD 4.17Å; M512-K516 HydrophobicContact CG-CG 4.39Å; M512-K516 HydrophobicContact SD-CB 3.72Å; G513-K516 PolarHBondContact O-N 3.36Å; K516-D519 PolarHBondContact O-N 3.33Å; K516-L520 WeakPolarHBondContact O-CB 3.34Å; K516-L520 PolarHBondContact O-N 2.92Å; K516-Y575 HydrophobicContact CB-CE2 4.45Å; K516-Y575 HydrophobicContact CG-CD2 3.99Å; K516-Y575 HydrophobicContact CG-CE2 3.53Å; K516-A585 HydrophobicContact CG-CB 4.37Å
517V94.9Very high93.3Very high63 Ų6336.6 Ų36.638%0.38222%0.223SC..Hα-helixtrans-64.6-41.5174.5170.20000111.1M512 G513 V514 F515 L520 S521M512-V517 HydrophobicContact CB-CG2 3.89Å; M512-V517 HydrophobicContact CG-CG2 3.76Å; M512-V517 HydrophobicContact SD-CB 4.5Å; M512-V517 HydrophobicContact SD-CG2 3.79Å; G513-V517 WeakPolarHBondContact O-CG2 3.4Å; G513-V517 PolarHBondContact O-N 3.16Å; V514-V517 PolarHBondContact O-N 3.22Å; F515-V517 VanDerWaalsContact C-N 3.33Å; F515-V517 PolarHBondContact O-N 3.03Å; V517-L520 PolarHBondContact O-N 3.44Å; V517-S521 WeakPolarHBondContact O-CB 3.16Å; V517-S521 PolarHBondContact O-N 3.19Å; V517-S521 PolarHBondContact O-OG 3.21Å
518S95.8Very high93.1Very high23 Ų2339.4 Ų39.416%0.16123%0.234CC..Hα-helixtrans-60.1-44.9175-178.10000111.6V514 F515 S521 G522 W574V514-S518 PolarHBondContact O-N 3.43Å; F515-S518 WeakPolarHBondContact O-CB 3.48Å; F515-S518 PolarHBondContact O-N 3.14Å; S518-S521 PolarHBondContact O-N 3.47Å; S518-G522 PolarHBondContact O-N 3.35Å; S518-W574 PolarHBondContact OG-NE1 3.47Å
519D97.1Very high92.8Very high1 Ų142.2 Ų42.21%0.00525%0.252CS..Hα-helixtrans-66.1-38177.4-84.70.1000112.7F515 K516 L523 Q568 G573 W574 Y575 Y577F515-D519 PolarHBondContact O-N 2.84Å; K516-D519 PolarHBondContact O-N 3.33Å; D519-L523 WeakPolarHBondContact OD1-CD1 3.46Å; D519-Q568 WeakPolarHBondContact O-CB 3.48Å; D519-Q568 PolarHBondContact O-N 3.24Å; D519-G573 WeakPolarHBondContact OD1-CA 3.42Å; D519-W574 VanDerWaalsContact OD1-CD1 3.26Å; D519-W574 PolarHBondContact OD1-N 3.48Å; D519-W574 PolarHBondContact OD2-N 3.14Å; D519-Y575 PolarHBondContact OD2-N 3.46Å; D519-Y577 HydrophobicContact CB-CE2 4.11Å; D519-Y577 WeakPolarHBondContact CB-OH 3.5Å; D519-Y577 WeakPolarHBondContact OD2-CE2 3.2Å; D519-Y577 PolarHBondContact OD2-OH 3.37Å
520L93.4Very high92.6Very high94 Ų9444.1 Ų44.149%0.49226%0.255SS..Hα-helixtrans-65.7-42.5176.5176.962.8000111.7M512 K516 V517 G522M512-L520 HydrophobicContact CE-CD2 4.23Å; M512-L520 HydrophobicContact SD-CD2 4.13Å; K516-L520 WeakPolarHBondContact O-CB 3.34Å; K516-L520 PolarHBondContact O-N 2.92Å; V517-L520 PolarHBondContact O-N 3.44Å; L520-G522 VanDerWaalsContact C-N 3.34Å
521S90.8Very high92.3Very high79 Ų7948.3 Ų48.355%0.55227%0.274SS*.Hα-helixtrans-71.3-33.7-179.9-55.30000112V517 S518V517-S521 WeakPolarHBondContact O-CB 3.16Å; V517-S521 PolarHBondContact O-N 3.19Å; V517-S521 PolarHBondContact O-OG 3.21Å; S518-S521 PolarHBondContact O-N 3.47Å
522G93.4Very high91.9Very high4 Ų448 Ų484%0.04127%0.265CS..  trans97119.9-174.600000111.7S518 L520 D524 V525 F566S518-G522 PolarHBondContact O-N 3.35Å; L520-G522 VanDerWaalsContact C-N 3.34Å; G522-D524 PolarHBondContact O-N 3.45Å; G522-V525 WeakPolarHBondContact O-CB 3.22Å; G522-V525 PolarHBondContact O-N 3.28Å; G522-F566 VanDerWaalsContact CA-O 3.23Å; G522-F566 WeakPolarHBondContact CA-O 2.96Å
523L95.3Very high91.5Very high8 Ų847.2 Ų47.24%0.04226%0.262CS..Hα-helixtrans-65.2-28.5-174.7-76.369.2000112.2D519 V525 G526 W527 L560 C561 F566 W574D519-L523 WeakPolarHBondContact OD1-CD1 3.46Å; L523-V525 PolarHBondContact O-N 3.1Å; L523-G526 PolarHBondContact O-N 3.41Å; L523-W527 WeakPolarHBondContact O-CB 3.35Å; L523-W527 PolarHBondContact O-N 3.18Å; L523-L560 HydrophobicContact CD2-CB 3.94Å; L523-L560 HydrophobicContact CD2-CD1 3.74Å; L523-C561 VanDerWaalsContact C-SG 3.56Å; L523-C561 VanDerWaalsContact CB-SG 3.55Å; L523-F566 PolarHBondContact N-O 3.03Å; L523-W574 HydrophobicContact CD2-CZ2 4.38Å
524D92.1Very high91Very high18 Ų1849.8 Ų49.810%0.09629%0.289CS..Hα-helixtrans-66-24.5179.464.9-47.3000113.4G522 W527 K528 F566 K569G522-D524 PolarHBondContact O-N 3.45Å; D524-W527 PolarHBondContact O-N 2.92Å; D524-K528 WeakPolarHBondContact O-CB 3.44Å; D524-K528 VanDerWaalsContact O-CG 3.28Å; D524-K528 WeakPolarHBondContact O-CG 3.45Å; D524-K528 PolarHBondContact O-N 2.83Å; D524-F566 HydrophobicContact CB-CB 4.45Å; D524-F566 HydrophobicContact CB-CD1 3.69Å; D524-F566 HydrophobicContact CB-CE1 4.04Å; D524-F566 HydrophobicContact CB-CG 4.07Å; D524-K569 VanDerWaalsContact OD1-CE 3.25Å; D524-K569 WeakPolarHBondContact OD1-CE 3.37Å; D524-K569 IonicContact OD1-NZ 3.91Å; D524-K569 PolarHBondContact OD1-NZ 2.92Å; D524-K569 IonicContact OD2-NZ 3.39Å; D524-K569 PolarHBondContact OD2-NZ 2.62Å
525V88.9Confident90.4Very high84 Ų8451.9 Ų51.951%0.50930%0.3SS..Hα-helixtrans-64.4-54.5176179.20000109.6G522 L523 W527 K528 V529G522-V525 WeakPolarHBondContact O-CB 3.22Å; G522-V525 PolarHBondContact O-N 3.28Å; L523-V525 PolarHBondContact O-N 3.1Å; V525-W527 VanDerWaalsContact C-N 3.3Å; V525-W527 PolarHBondContact O-N 3.32Å; V525-K528 PolarHBondContact O-N 3.46Å; V525-V529 PolarHBondContact O-N 2.87Å
526G88.7Confident89.6Confident29 Ų2953.3 Ų53.330%0.29931%0.308SS..Hα-helixtrans-64.4-35.2175.900000112.5L523 V529 R530L523-G526 PolarHBondContact O-N 3.41Å; G526-V529 PolarHBondContact O-N 3.22Å; G526-R530 WeakPolarHBondContact O-CG 3.38Å; G526-R530 PolarHBondContact O-N 2.95Å; G526-R530 PolarHBondContact O-NH1 3.38Å
527W92.1Very high88.3Confident35 Ų3553.5 Ų53.513%0.13332%0.316CS..Hα-helixtrans-63.1-41.8176.7-175.851.4000113.1L523 D524 V525 V529 R530 K531 D558 C561 E562 F566L523-W527 WeakPolarHBondContact O-CB 3.35Å; L523-W527 PolarHBondContact O-N 3.18Å; D524-W527 PolarHBondContact O-N 2.92Å; V525-W527 VanDerWaalsContact C-N 3.3Å; V525-W527 PolarHBondContact O-N 3.32Å; W527-V529 VanDerWaalsContact C-N 3.33Å; W527-V529 PolarHBondContact O-N 3.13Å; W527-R530 PolarHBondContact O-N 3.45Å; W527-K531 HydrophobicContact CD2-CD 4.27Å; W527-K531 HydrophobicContact CZ2-CD 4.43Å; W527-K531 WeakPolarHBondContact O-CG 3.48Å; W527-K531 PolarHBondContact O-N 2.85Å; W527-D558 VanDerWaalsContact CD1-OD1 3.32Å; W527-C561 HydrophobicContact CB-CB 4.24Å; W527-C561 HydrophobicContact CD2-CB 3.5Å; W527-C561 VanDerWaalsContact CD2-CB 3.5Å; W527-C561 HydrophobicContact CE3-CB 3.71Å; W527-C561 HydrophobicContact CG-CB 3.79Å; W527-C561 HydrophobicContact CH2-CB 4.32Å; W527-C561 HydrophobicContact CZ2-CB 4.17Å; W527-C561 HydrophobicContact CZ3-CB 4.13Å; W527-E562 HydrophobicContact CZ2-CG 3.99Å; W527-F566 HydrophobicContact CZ3-CE1 4.43Å
528K88.6Confident86.6Confident135 Ų13556.2 Ų56.259%0.58734%0.335SS*.Hα-helixtrans-60.7-41.9175.1-76.5172.4-176.7177.50111.9D524 V525 K531 S532D524-K528 WeakPolarHBondContact O-CB 3.44Å; D524-K528 VanDerWaalsContact O-CG 3.28Å; D524-K528 WeakPolarHBondContact O-CG 3.45Å; D524-K528 PolarHBondContact O-N 2.83Å; V525-K528 PolarHBondContact O-N 3.46Å; K528-K531 WeakPolarHBondContact O-CB 3.38Å; K528-K531 PolarHBondContact O-N 3.32Å; K528-S532 PolarHBondContact O-N 3.33Å; K528-S532 PolarHBondContact O-OG 3.35Å
529V86Confident84.6Confident62 Ų6259.5 Ų59.538%0.37636%0.363SS..Hα-helixtrans-62.6-46.4175.4176.80000110.9V525 G526 W527 K531 S532 D533V525-V529 PolarHBondContact O-N 2.87Å; G526-V529 PolarHBondContact O-N 3.22Å; W527-V529 VanDerWaalsContact C-N 3.33Å; W527-V529 PolarHBondContact O-N 3.13Å; V529-K531 VanDerWaalsContact C-N 3.28Å; V529-K531 PolarHBondContact O-N 3.43Å; V529-S532 PolarHBondContact O-N 2.88Å; V529-S532 PolarHBondContact O-OG 2.88Å; V529-D533 PolarHBondContact O-N 3.49Å
530R88.6Confident82.2Confident51 Ų5162 Ų6219%0.19238%0.381CS..Hα-helixtrans-64-33.5177.1-67.4-170.8-59.5-85.51.1112.7G526 W527 D533 G534 L535 V536 Y553 D558G526-R530 WeakPolarHBondContact O-CG 3.38Å; G526-R530 PolarHBondContact O-N 2.95Å; G526-R530 PolarHBondContact O-NH1 3.38Å; W527-R530 PolarHBondContact O-N 3.45Å; R530-D533 PolarHBondContact O-N 3.35Å; R530-G534 PolarHBondContact O-N 2.73Å; R530-L535 HydrophobicContact CB-CB 4.27Å; R530-L535 HydrophobicContact CG-CD1 4.44Å; R530-L535 WeakPolarHBondContact O-CB 3.49Å; R530-L535 PolarHBondContact O-N 3.43Å; R530-V536 HydrophobicContact CB-CG2 3.74Å; R530-Y553 VanDerWaalsContact CD-OH 3.27Å; R530-Y553 WeakPolarHBondContact CD-OH 3.29Å; R530-Y553 PolarHBondContact NE-OH 3.23Å; R530-D558 IonicContact CZ-OD1 3.26Å; R530-D558 IonicContact NE-OD1 3.17Å; R530-D558 PolarHBondContact NE-OD1 2.94Å; R530-D558 IonicContact NH2-OD1 2.78Å; R530-D558 PolarHBondContact NH2-OD1 3.35Å
531K87.2Confident80.1Confident100 Ų10063.7 Ų63.744%0.43540%0.395SS..Hα-helixtrans-65.3-46.1172.5-80.9-178.2165.1178.20112.1W527 K528 V529 D533 G534 V536W527-K531 HydrophobicContact CD2-CD 4.27Å; W527-K531 HydrophobicContact CZ2-CD 4.43Å; W527-K531 WeakPolarHBondContact O-CG 3.48Å; W527-K531 PolarHBondContact O-N 2.85Å; K528-K531 WeakPolarHBondContact O-CB 3.38Å; K528-K531 PolarHBondContact O-N 3.32Å; V529-K531 VanDerWaalsContact C-N 3.28Å; V529-K531 PolarHBondContact O-N 3.43Å; K531-D533 PolarHBondContact O-N 2.92Å; K531-G534 PolarHBondContact O-N 3.44Å; K531-V536 HydrophobicContact CG-CB 3.85Å; K531-V536 HydrophobicContact CG-CG1 4.25Å; K531-V536 HydrophobicContact CG-CG2 3.83Å
532S81.3Confident78.4Confident95 Ų9561.5 Ų61.566%0.66439%0.386SS*.Hα-helixtrans-63.8-29.6177.360.10000112.3K528 V529 G534K528-S532 PolarHBondContact O-N 3.33Å; K528-S532 PolarHBondContact O-OG 3.35Å; V529-S532 PolarHBondContact O-N 2.88Å; V529-S532 PolarHBondContact O-OG 2.88Å; S532-G534 PolarHBondContact O-N 2.89Å
533D81.1Confident76.4Confident55 Ų5567.1 Ų67.129%0.29442%0.419SS..THydrogen-bonded Turntrans-77.3-4174.7-65-26.8000114.3R473 V529 R530 K531 L535R473-D533 IonicContact CZ-OD1 3.56Å; R473-D533 IonicContact CZ-OD2 2.74Å; R473-D533 VanDerWaalsContact CZ-OD2 3.32Å; R473-D533 IonicContact NH1-OD1 2.79Å; R473-D533 PolarHBondContact NH1-OD1 2.63Å; R473-D533 IonicContact NH1-OD2 3.29Å; R473-D533 IonicContact NH2-OD1 2.84Å; R473-D533 PolarHBondContact NH2-OD1 3.42Å; R473-D533 IonicContact NH2-OD2 2.94Å; R473-D533 PolarHBondContact NH2-OD2 3.17Å; V529-D533 PolarHBondContact O-N 3.49Å; R530-D533 PolarHBondContact O-N 3.35Å; K531-D533 PolarHBondContact O-N 2.92Å; D533-L535 HydrophobicContact CB-CD1 3.88Å; D533-L535 HydrophobicContact CB-CG 3.74Å; D533-L535 PolarHBondContact O-N 3.41Å
534G83.9Confident75Confident54 Ų5470.6 Ų70.656%0.55744%0.444SS*.THydrogen-bonded Turntrans66.817.6-173.600000113.9R530 K531 S532R530-G534 PolarHBondContact O-N 2.73Å; K531-G534 PolarHBondContact O-N 3.44Å; S532-G534 PolarHBondContact O-N 2.89Å
535L84.1Confident74.2Confident50 Ų5070.4 Ų70.426%0.26245%0.445SS..  trans-80.3-23.3179.7-63.9174.6000112.5R530 D533 R548R530-L535 HydrophobicContact CB-CB 4.27Å; R530-L535 HydrophobicContact CG-CD1 4.44Å; R530-L535 WeakPolarHBondContact O-CB 3.49Å; R530-L535 PolarHBondContact O-N 3.43Å; D533-L535 HydrophobicContact CB-CD1 3.88Å; D533-L535 HydrophobicContact CB-CG 3.74Å; D533-L535 PolarHBondContact O-N 3.41Å; L535-R548 HydrophobicContact CD2-CB 4.34Å; L535-R548 HydrophobicContact CD2-CG 4.47Å; L535-R548 PolarHBondContact O-NE 3.19Å; L535-R548 PolarHBondContact O-NH2 3Å
536V82.6Confident74.2Confident29 Ų2968.1 Ų68.118%0.17643%0.427CS..  trans-88.9118.6176.8-176.30000108.9R530 K531R530-V536 HydrophobicContact CB-CG2 3.74Å; K531-V536 HydrophobicContact CG-CB 3.85Å; K531-V536 HydrophobicContact CG-CG1 4.25Å; K531-V536 HydrophobicContact CG-CG2 3.83Å
537S69.7Low74.2Confident54 Ų5469.9 Ų69.938%0.37843%0.429SS..  trans-109.3148.5175.2-53.40000109.8A539S537-A539 PolarHBondContact O-N 2.88Å
538P58.8Low74Confident121 Ų12170.4 Ų70.479%0.78643%0.431SS*.  trans-54.9140.4169.8-18.830.2000109.6S540P538-S540 PolarHBondContact O-N 3.25Å
539A53.8Low73.7Confident91 Ų9168.2 Ų68.275%0.75245%0.447SS*.  trans-52.590.5-171.500000113.1S537S537-A539 PolarHBondContact O-N 2.88Å
540S46.1Very low73.6Confident55 Ų5568.2 Ų68.239%0.38546%0.46SS..  trans-84.7124.8166.560.60000108.1P538 G542P538-S540 PolarHBondContact O-N 3.25Å; S540-G542 PolarHBondContact O-N 3.11Å
541T48.7Very low73.8Confident128 Ų12867.6 Ų67.679%0.78546%0.463SS*.  trans-67.4127.6173.644.30000110.2
542G54.5Low74.1Confident34 Ų3463.9 Ų63.935%0.35145%0.446SS..SBendtrans126.3-177.117200000116.3S540 S544 A545S540-G542 PolarHBondContact O-N 3.11Å; G542-S544 PolarHBondContact O-N 3.41Å; G542-S544 VanDerWaalsContact O-N 3.14Å; G542-A545 WeakPolarHBondContact O-CB 3.38Å; G542-A545 PolarHBondContact O-N 3.39Å
543T52.8Low74.7Confident121 Ų12160.5 Ų60.574%0.74242%0.419SS*.G310 helixtrans-56.5-28.1-176.1-24.20000113.5A545 R546T543-A545 VanDerWaalsContact C-N 3.26Å; T543-A545 PolarHBondContact O-N 3.14Å; T543-R546 PolarHBondContact O-N 3Å
544S64.8Low75.4Confident82 Ų8258.3 Ų58.357%0.57341%0.408SS*.G310 helixtrans-56.8-34.1174.5174.50000113.2G542 R546 I547 R548G542-S544 PolarHBondContact O-N 3.41Å; G542-S544 VanDerWaalsContact O-N 3.14Å; S544-R546 PolarHBondContact O-N 3.13Å; S544-I547 PolarHBondContact O-N 3.33Å; S544-R548 PolarHBondContact O-NH1 3.26Å; S544-R548 VanDerWaalsContact O-NH1 3.07Å
545A76.3Confident75.9Confident14 Ų1456.4 Ų56.412%0.11639%0.386CS..G310 helixtrans-64.3-26.6-176.800000113.3G542 T543 R548G542-A545 WeakPolarHBondContact O-CB 3.38Å; G542-A545 PolarHBondContact O-N 3.39Å; T543-A545 VanDerWaalsContact C-N 3.26Å; T543-A545 PolarHBondContact O-N 3.14Å; A545-R548 PolarHBondContact O-NH1 3.11Å; A545-R548 PolarHBondContact O-NH2 3.04Å
546R88.8Confident76.4Confident35 Ų3554 Ų5413%0.13237%0.373CS..G310 helixtrans-105.813.3-173.5-65173.762.1-134.7-3.1113.7E493 T543 S544 R552 Y553 P555 Y598E493-R546 IonicContact OE1-NE 3.36Å; E493-R546 IonicContact OE2-CZ 2.78Å; E493-R546 IonicContact OE2-NE 3.91Å; E493-R546 PolarHBondContact OE2-NE 3.32Å; E493-R546 IonicContact OE2-NH2 2.72Å; E493-R546 PolarHBondContact OE2-NH2 3.25Å; T543-R546 PolarHBondContact O-N 3Å; S544-R546 PolarHBondContact O-N 3.13Å; R546-R552 CarbonylContact O-C 3.49Å; R546-R552 WeakPolarHBondContact O-CA 3.33Å; R546-Y553 CarbonylContact C-O 3.55Å; R546-Y553 VanDerWaalsContact CA-O 3.26Å; R546-Y553 WeakPolarHBondContact CA-O 3.4Å; R546-Y553 PolarHBondContact O-N 3.42Å; R546-P555 HydrophobicContact CG-CG 4.49Å; R546-Y598 WeakPolarHBondContact CD-OH 3.23Å; R546-Y598 PolarHBondContact NE-OH 3.39Å
547I88.9Confident77Confident66 Ų6652.9 Ų52.934%0.33837%0.367SS..EExtended strand (participates in β ladder)trans-128.2132.6176.7-59-68000109.5S544 S551S544-I547 PolarHBondContact O-N 3.33Å; I547-S551 CarbonylContact C-O 3.56Å; I547-S551 VanDerWaalsContact CA-O 3.3Å; I547-S551 WeakPolarHBondContact CA-O 3.37Å
548R87.3Confident78.2Confident47 Ų4750.5 Ų50.518%0.17735%0.351CS..EExtended strand (participates in β ladder)trans-134.5125172.5-65.8-63.9-179.5-77.6-10.6109.4L535 S544 A545 G550 S551 Y553L535-R548 HydrophobicContact CD2-CB 4.34Å; L535-R548 HydrophobicContact CD2-CG 4.47Å; L535-R548 PolarHBondContact O-NE 3.19Å; L535-R548 PolarHBondContact O-NH2 3Å; S544-R548 PolarHBondContact O-NH1 3.26Å; S544-R548 VanDerWaalsContact O-NH1 3.07Å; A545-R548 PolarHBondContact O-NH1 3.11Å; A545-R548 PolarHBondContact O-NH2 3.04Å; R548-G550 PolarHBondContact O-N 3.06Å; R548-S551 PolarHBondContact N-O 3.08Å; R548-S551 PolarHBondContact O-N 3.36Å; R548-Y553 HydrophobicContact CG-CD1 4.1Å; R548-Y553 HydrophobicContact CG-CD2 4.11Å; R548-Y553 HydrophobicContact CG-CG 3.7Å
549G82.1Confident79.9Confident88 Ų8846.1 Ų46.191%0.90732%0.32SS*.THydrogen-bonded Turntrans55.134.8-179.900000113.7S551G549-S551 VanDerWaalsContact C-N 3.27Å; G549-S551 PolarHBondContact O-N 3.26Å
550G84.7Confident82Confident63 Ų6341.8 Ų41.865%0.64929%0.285SS*.THydrogen-bonded Turntrans77.13.6-177.400000115.6R548R548-G550 PolarHBondContact O-N 3.06Å
551S91.3Very high84.4Confident38 Ų3839.3 Ų39.327%0.26627%0.267SS..EExtended strand (participates in β ladder)trans-111.8150.3177.3-56.20000111.6I547 R548 G549 D683 P685I547-S551 CarbonylContact C-O 3.56Å; I547-S551 VanDerWaalsContact CA-O 3.3Å; I547-S551 WeakPolarHBondContact CA-O 3.37Å; R548-S551 PolarHBondContact N-O 3.08Å; R548-S551 PolarHBondContact O-N 3.36Å; G549-S551 VanDerWaalsContact C-N 3.27Å; G549-S551 PolarHBondContact O-N 3.26Å; S551-D683 CarbonylContact C-O 3.59Å; S551-D683 WeakPolarHBondContact CA-O 3.17Å; S551-P685 VanDerWaalsContact OG-CG 3.26Å; S551-P685 WeakPolarHBondContact OG-CG 3.38Å
552R94.3Very high86.6Confident22 Ų2237.7 Ų37.78%0.08325%0.251CS..EExtended strand (participates in β ladder)trans-56.8137.5171.8-164.5-177.6171.4179.8-8.1110.8F490 E493 E494 R546 D683 V684F490-R552 HydrophobicContact CD1-CG 4.24Å; F490-R552 HydrophobicContact CE1-CB 4.24Å; F490-R552 HydrophobicContact CE1-CG 3.63Å; F490-R552 HydrophobicContact CZ-CB 3.95Å; F490-R552 HydrophobicContact CZ-CG 3.85Å; E493-R552 IonicContact OE2-CZ 2.86Å; E493-R552 IonicContact OE2-NE 2.73Å; E493-R552 PolarHBondContact OE2-NE 3.07Å; E493-R552 IonicContact OE2-NH2 3.7Å; E493-R552 PolarHBondContact OE2-NH2 3.21Å; E494-R552 IonicContact OE1-CZ 3.29Å; E494-R552 IonicContact OE1-NH1 2.74Å; E494-R552 PolarHBondContact OE1-NH1 2.58Å; E494-R552 IonicContact OE1-NH2 3.13Å; E494-R552 PolarHBondContact OE1-NH2 2.83Å; R546-R552 CarbonylContact O-C 3.49Å; R546-R552 WeakPolarHBondContact O-CA 3.33Å; R552-D683 HydrophobicContact CB-CB 4.3Å; R552-D683 WeakPolarHBondContact CB-OD2 3.47Å; R552-D683 WeakPolarHBondContact CD-OD2 3.35Å; R552-D683 WeakPolarHBondContact CG-OD2 3.41Å; R552-D683 PolarHBondContact N-O 3.19Å; R552-V684 HydrophobicContact CB-CG2 3.81Å; R552-V684 HydrophobicContact CG-CG2 4.44Å
553Y94Very high88.6Confident24 Ų2442 Ų429%0.09426%0.256CS..  trans-135.8134.6177.9177.9-101.1000109.5R530 R546 R548 P555 D558R530-Y553 VanDerWaalsContact CD-OH 3.27Å; R530-Y553 WeakPolarHBondContact CD-OH 3.29Å; R530-Y553 PolarHBondContact NE-OH 3.23Å; R546-Y553 CarbonylContact C-O 3.55Å; R546-Y553 VanDerWaalsContact CA-O 3.26Å; R546-Y553 WeakPolarHBondContact CA-O 3.4Å; R546-Y553 PolarHBondContact O-N 3.42Å; R548-Y553 HydrophobicContact CG-CD1 4.1Å; R548-Y553 HydrophobicContact CG-CD2 4.11Å; R548-Y553 HydrophobicContact CG-CG 3.7Å; Y553-P555 HydrophobicContact CD1-CB 4.46Å; Y553-P555 HydrophobicContact CE1-CB 4.05Å; Y553-P555 WeakPolarHBondContact O-CD 3.32Å; Y553-D558 PolarHBondContact OH-OD1 2.92Å; Y553-D558 PolarHBondContact OH-OD2 3.43Å
554S94.9Very high90.6Very high9 Ų938 Ų386%0.06324%0.239CC..  trans-103.2113174.4-170.70000110.9E493 L556E493-S554 WeakPolarHBondContact OE1-CB 3.36Å; E493-S554 PolarHBondContact OE1-OG 3.09Å; S554-L556 PolarHBondContact O-N 3.16Å; S554-L556 WeakPolarHBondContact OG-CG 3.29Å
555P94.4Very high92.2Very high13 Ų1335 Ų358%0.08422%0.215CC..  trans-792.7177.433.9-37.7000113.6R546 Y553 G557 D558 L559 Y598R546-P555 HydrophobicContact CG-CG 4.49Å; Y553-P555 HydrophobicContact CD1-CB 4.46Å; Y553-P555 HydrophobicContact CE1-CB 4.05Å; Y553-P555 WeakPolarHBondContact O-CD 3.32Å; P555-G557 VanDerWaalsContact C-N 3.3Å; P555-G557 PolarHBondContact O-N 2.9Å; P555-D558 WeakPolarHBondContact O-CA 3.44Å; P555-D558 WeakPolarHBondContact O-CB 3.26Å; P555-D558 PolarHBondContact O-N 2.89Å; P555-L559 HydrophobicContact CB-CD1 4.35Å; P555-L559 HydrophobicContact CB-CG 4.36Å; P555-L559 HydrophobicContact CG-CD1 4.2Å; P555-L559 WeakPolarHBondContact O-CG 3.43Å; P555-L559 PolarHBondContact O-N 3.02Å; P555-Y598 VanDerWaalsContact CD-OH 3.29Å; P555-Y598 WeakPolarHBondContact CD-OH 3.49Å; P555-Y598 HydrophobicContact CG-CE2 4.05Å; P555-Y598 WeakPolarHBondContact CG-OH 3.4Å
556L95.7Very high93.2Very high0 Ų036.9 Ų36.90%022%0.221CC..Hα-helixtrans-52-46.4-174.3-69.5176.9000112.7L492 E493 S554 D558 L559 L560 W574 F594 L595 Y598L492-L556 HydrophobicContact CB-CD1 3.9Å; L492-L556 HydrophobicContact CD1-CD1 4.37Å; E493-L556 HydrophobicContact CG-CD1 3.83Å; E493-L556 HydrophobicContact CG-CG 4.4Å; S554-L556 PolarHBondContact O-N 3.16Å; S554-L556 WeakPolarHBondContact OG-CG 3.29Å; L556-D558 VanDerWaalsContact C-N 3.31Å; L556-D558 PolarHBondContact O-N 2.86Å; L556-L559 PolarHBondContact O-N 2.88Å; L556-L560 WeakPolarHBondContact O-CG 3.4Å; L556-L560 PolarHBondContact O-N 3.44Å; L556-L560 VanDerWaalsContact O-N 3.08Å; L556-W574 HydrophobicContact CB-CH2 3.83Å; L556-W574 HydrophobicContact CB-CZ3 4.31Å; L556-F594 HydrophobicContact CD2-CE1 3.82Å; L556-F594 HydrophobicContact CD2-CZ 4.2Å; L556-L595 HydrophobicContact CD1-CD2 3.99Å; L556-L595 HydrophobicContact CD2-CD2 3.91Å; L556-Y598 HydrophobicContact CD2-CD1 3.7Å; L556-Y598 HydrophobicContact CD2-CD2 4.03Å; L556-Y598 HydrophobicContact CD2-CE1 3.81Å; L556-Y598 HydrophobicContact CD2-CE2 4.14Å; L556-Y598 HydrophobicContact CD2-CG 3.8Å; L556-Y598 HydrophobicContact CG-CE1 4.34Å
557G95.6Very high93.6Very high5 Ų535.2 Ų35.25%0.05222%0.215CC..Hα-helixtrans-64.7-32.2177.200000113.8P555 C561P555-G557 VanDerWaalsContact C-N 3.3Å; P555-G557 PolarHBondContact O-N 2.9Å; G557-C561 PolarHBondContact O-N 2.94Å; G557-C561 PolarHBondContact O-SG 2.76Å
558D94.8Very high94Very high5 Ų534 Ų343%0.02721%0.207CC..Hα-helixtrans-71.1-45.9176.1-56.4-27.2000110.6W527 R530 Y553 P555 L556 L560 C561 E562W527-D558 VanDerWaalsContact CD1-OD1 3.32Å; R530-D558 IonicContact CZ-OD1 3.26Å; R530-D558 IonicContact NE-OD1 3.17Å; R530-D558 PolarHBondContact NE-OD1 2.94Å; R530-D558 IonicContact NH2-OD1 2.78Å; R530-D558 PolarHBondContact NH2-OD1 3.35Å; Y553-D558 PolarHBondContact OH-OD1 2.92Å; Y553-D558 PolarHBondContact OH-OD2 3.43Å; P555-D558 WeakPolarHBondContact O-CA 3.44Å; P555-D558 WeakPolarHBondContact O-CB 3.26Å; P555-D558 PolarHBondContact O-N 2.89Å; L556-D558 VanDerWaalsContact C-N 3.31Å; L556-D558 PolarHBondContact O-N 2.86Å; D558-L560 VanDerWaalsContact C-N 3.26Å; D558-L560 PolarHBondContact O-N 3.46Å; D558-C561 WeakPolarHBondContact O-CA 3.45Å; D558-C561 WeakPolarHBondContact O-CB 3.35Å; D558-C561 PolarHBondContact O-N 3.36Å; D558-E562 WeakPolarHBondContact O-CG 3.33Å; D558-E562 PolarHBondContact O-N 3.42Å
559L95.1Very high94.3Very high29 Ų2936.7 Ų36.715%0.15222%0.221CC..Hα-helixtrans-61.6-33.3179.4-69.6172.7000112.5P555 L556 R563 F594 Y598P555-L559 HydrophobicContact CB-CD1 4.35Å; P555-L559 HydrophobicContact CB-CG 4.36Å; P555-L559 HydrophobicContact CG-CD1 4.2Å; P555-L559 WeakPolarHBondContact O-CG 3.43Å; P555-L559 PolarHBondContact O-N 3.02Å; L556-L559 PolarHBondContact O-N 2.88Å; L559-R563 WeakPolarHBondContact O-CG 3.42Å; L559-R563 PolarHBondContact O-N 3.49Å; L559-R563 PolarHBondContact O-NH1 2.78Å; L559-F594 HydrophobicContact CB-CE2 4.2Å; L559-F594 HydrophobicContact CB-CZ 3.71Å; L559-F594 HydrophobicContact CD1-CE2 4.45Å; L559-F594 HydrophobicContact CD1-CZ 3.96Å; L559-Y598 HydrophobicContact CD1-CD2 3.84Å; L559-Y598 HydrophobicContact CD1-CE2 3.81Å
560L96.6Very high95Very high0 Ų035 Ų350%019%0.193CC..Hα-helixtrans-67.7-43.1170.9-70.1-177.5000111.7L523 L556 D558 E562 R563 G564 R565 W574 W590 L591 F594L523-L560 HydrophobicContact CD2-CB 3.94Å; L523-L560 HydrophobicContact CD2-CD1 3.74Å; L556-L560 WeakPolarHBondContact O-CG 3.4Å; L556-L560 PolarHBondContact O-N 3.44Å; L556-L560 VanDerWaalsContact O-N 3.08Å; D558-L560 VanDerWaalsContact C-N 3.26Å; D558-L560 PolarHBondContact O-N 3.46Å; L560-E562 PolarHBondContact O-N 3.07Å; L560-R563 CarbonylContact O-C 3.55Å; L560-R563 PolarHBondContact O-N 2.67Å; L560-R563 VanDerWaalsContact O-N 3.17Å; L560-G564 PolarHBondContact O-N 3.26Å; L560-R565 HydrophobicContact CB-CB 4.28Å; L560-R565 WeakPolarHBondContact O-CB 3.32Å; L560-R565 PolarHBondContact O-N 3.4Å; L560-W574 HydrophobicContact CD1-CD2 3.66Å; L560-W574 HydrophobicContact CD1-CE3 3.46Å; L560-W574 VanDerWaalsContact CD1-CE3 3.46Å; L560-W574 HydrophobicContact CD1-CG 4.41Å; L560-W574 HydrophobicContact CD1-CH2 3.82Å; L560-W574 HydrophobicContact CD1-CZ2 4Å; L560-W574 HydrophobicContact CD1-CZ3 3.55Å; L560-W590 HydrophobicContact CD2-CH2 3.9Å; L560-W590 HydrophobicContact CD2-CZ3 3.57Å; L560-L591 HydrophobicContact CD1-CD1 4.37Å; L560-L591 HydrophobicContact CD2-CD1 3.86Å; L560-F594 HydrophobicContact CD2-CD1 4.39Å; L560-F594 HydrophobicContact CD2-CE1 4.21Å
561C96.5Very high95.6Very high2 Ų232.2 Ų32.21%0.01416%0.163CC..Hα-helixtrans-63.8-40.7177.6-69.40000112.2L523 W527 G557 D558 R563 G564 F566L523-C561 VanDerWaalsContact C-SG 3.56Å; L523-C561 VanDerWaalsContact CB-SG 3.55Å; W527-C561 HydrophobicContact CB-CB 4.24Å; W527-C561 HydrophobicContact CD2-CB 3.5Å; W527-C561 VanDerWaalsContact CD2-CB 3.5Å; W527-C561 HydrophobicContact CE3-CB 3.71Å; W527-C561 HydrophobicContact CG-CB 3.79Å; W527-C561 HydrophobicContact CH2-CB 4.32Å; W527-C561 HydrophobicContact CZ2-CB 4.17Å; W527-C561 HydrophobicContact CZ3-CB 4.13Å; G557-C561 PolarHBondContact O-N 2.94Å; G557-C561 PolarHBondContact O-SG 2.76Å; D558-C561 WeakPolarHBondContact O-CA 3.45Å; D558-C561 WeakPolarHBondContact O-CB 3.35Å; D558-C561 PolarHBondContact O-N 3.36Å; C561-R563 PolarHBondContact O-N 2.7Å; C561-G564 PolarHBondContact O-N 2.8Å; C561-F566 HydrophobicContact CB-CD1 4.22Å; C561-F566 HydrophobicContact CB-CE1 3.88Å; C561-F566 WeakPolarHBondContact O-CE1 3.28Å
562E94.9Very high95.9Very high95 Ų9535.1 Ų35.144%0.44417%0.168SC..Hα-helixtrans-59.7-28.6175.5-72.5171.7-177.300112.6W527 D558 L560 G564W527-E562 HydrophobicContact CZ2-CG 3.99Å; D558-E562 WeakPolarHBondContact O-CG 3.33Å; D558-E562 PolarHBondContact O-N 3.42Å; L560-E562 PolarHBondContact O-N 3.07Å; E562-G564 VanDerWaalsContact C-N 3.32Å
563R96Very high96Very high124 Ų12434 Ų3447%0.46817%0.165SC..THydrogen-bonded Turntrans-91.512.2176-65.7172.1174.476-3.7113.4L559 L560 C561 R565L559-R563 WeakPolarHBondContact O-CG 3.42Å; L559-R563 PolarHBondContact O-N 3.49Å; L559-R563 PolarHBondContact O-NH1 2.78Å; L560-R563 CarbonylContact O-C 3.55Å; L560-R563 PolarHBondContact O-N 2.67Å; L560-R563 VanDerWaalsContact O-N 3.17Å; C561-R563 PolarHBondContact O-N 2.7Å; R563-R565 VanDerWaalsContact C-N 3.26Å; R563-R565 HydrophobicContact CB-CG 4.42Å; R563-R565 PolarHBondContact O-N 3.26Å
564G96.1Very high96.2Very high37 Ų3733 Ų3338%0.38116%0.16SC..THydrogen-bonded Turntrans71.715.4178.500000114.7L560 C561 E562 F566L560-G564 PolarHBondContact O-N 3.26Å; C561-G564 PolarHBondContact O-N 2.8Å; E562-G564 VanDerWaalsContact C-N 3.32Å; G564-F566 PolarHBondContact O-N 3.47Å
565R97.8Very high96.4Very high20 Ų2032.8 Ų32.88%0.07516%0.158CC..  trans-91.981.1-178.7-59.2-176.762.698.13.8110.3L560 R563 R572 G573 D588 W590L560-R565 HydrophobicContact CB-CB 4.28Å; L560-R565 WeakPolarHBondContact O-CB 3.32Å; L560-R565 PolarHBondContact O-N 3.4Å; R563-R565 VanDerWaalsContact C-N 3.26Å; R563-R565 HydrophobicContact CB-CG 4.42Å; R563-R565 PolarHBondContact O-N 3.26Å; R565-R572 CarbonylContact C-O 3.49Å; R565-R572 VanDerWaalsContact CA-O 3.23Å; R565-R572 WeakPolarHBondContact CA-O 3.24Å; R565-R572 HydrophobicContact CG-CB 4.38Å; R565-G573 PolarHBondContact NE-O 2.96Å; R565-G573 VanDerWaalsContact NE-O 3.12Å; R565-G573 PolarHBondContact NH2-O 3.24Å; R565-D588 IonicContact CZ-OD2 2.63Å; R565-D588 IonicContact NH1-OD2 3.78Å; R565-D588 PolarHBondContact NH1-OD2 2.9Å; R565-D588 VanDerWaalsContact NH1-OD2 3.15Å; R565-D588 IonicContact NH2-OD2 3.19Å; R565-D588 PolarHBondContact NH2-OD2 2.99Å; R565-W590 VanDerWaalsContact NE-CZ3 3.32Å; R565-W590 VanDerWaalsContact NH1-CE3 3.32Å
566F97.3Very high96.6Very high53 Ų5334.4 Ų34.423%0.23217%0.165CC..  trans-92.59.4-174.7-52.9-44.9000114.9G522 L523 D524 W527 C561 G564 K569 T570 R572G522-F566 VanDerWaalsContact CA-O 3.23Å; G522-F566 WeakPolarHBondContact CA-O 2.96Å; L523-F566 PolarHBondContact N-O 3.03Å; D524-F566 HydrophobicContact CB-CB 4.45Å; D524-F566 HydrophobicContact CB-CD1 3.69Å; D524-F566 HydrophobicContact CB-CE1 4.04Å; D524-F566 HydrophobicContact CB-CG 4.07Å; W527-F566 HydrophobicContact CZ3-CE1 4.43Å; C561-F566 HydrophobicContact CB-CD1 4.22Å; C561-F566 HydrophobicContact CB-CE1 3.88Å; C561-F566 WeakPolarHBondContact O-CE1 3.28Å; G564-F566 PolarHBondContact O-N 3.47Å; F566-K569 HydrophobicContact CB-CG 4.49Å; F566-T570 HydrophobicContact CB-CG2 3.93Å; F566-T570 HydrophobicContact CD2-CG2 3.72Å; F566-T570 HydrophobicContact CG-CG2 4.25Å; F566-T570 PolarHBondContact N-OG1 3.4Å; F566-T570 VanDerWaalsContact N-OG1 3.13Å; F566-R572 PolarHBondContact N-O 3.25Å
567G96.9Very high96.6Very high0 Ų035.3 Ų35.30%017%0.168CC..BIsolated β-bridgetrans100.8-148.6177.600000113.9K569 T570 G571 R572G567-K569 VanDerWaalsContact C-N 3.26Å; G567-K569 PolarHBondContact O-N 2.79Å; G567-T570 PolarHBondContact N-OG1 3.08Å; G567-T570 PolarHBondContact O-N 2.59Å; G567-T570 PolarHBondContact O-OG1 3.12Å; G567-T570 VanDerWaalsContact O-OG1 3.09Å; G567-G571 PolarHBondContact O-N 3.37Å; G567-G571 VanDerWaalsContact O-N 3.1Å; G567-R572 PolarHBondContact N-O 2.95Å; G567-R572 CarbonylContact O-C 3.52Å; G567-R572 PolarHBondContact O-N 3.1Å
568Q96.8Very high96.5Very high39 Ų3940 Ų4018%0.18219%0.192CC..G310 helixtrans-57.2-39.9-173.4-174.1-176.35300112.2D519 T570 G571 Y577 G581 G582D519-Q568 WeakPolarHBondContact O-CB 3.48Å; D519-Q568 PolarHBondContact O-N 3.24Å; Q568-T570 VanDerWaalsContact C-N 3.26Å; Q568-T570 PolarHBondContact O-N 3Å; Q568-G571 PolarHBondContact O-N 2.95Å; Q568-Y577 HydrophobicContact CB-CE1 4.24Å; Q568-Y577 HydrophobicContact CB-CE2 4.17Å; Q568-Y577 HydrophobicContact CG-CD1 4.17Å; Q568-Y577 HydrophobicContact CG-CE1 4.02Å; Q568-G581 PolarHBondContact O-N 2.94Å; Q568-G582 VanDerWaalsContact CG-O 3.24Å; Q568-G582 WeakPolarHBondContact CG-O 3.38Å; Q568-G582 PolarHBondContact NE2-O 3.19Å
569K94.5Very high96.4Very high105 Ų10546 Ų4646%0.45722%0.218SC..G310 helixtrans-65-26.9-176.572.1-174.2-170.8-178.40114D524 F566 G567 P580D524-K569 VanDerWaalsContact OD1-CE 3.25Å; D524-K569 WeakPolarHBondContact OD1-CE 3.37Å; D524-K569 IonicContact OD1-NZ 3.91Å; D524-K569 PolarHBondContact OD1-NZ 2.92Å; D524-K569 IonicContact OD2-NZ 3.39Å; D524-K569 PolarHBondContact OD2-NZ 2.62Å; F566-K569 HydrophobicContact CB-CG 4.49Å; G567-K569 VanDerWaalsContact C-N 3.26Å; G567-K569 PolarHBondContact O-N 2.79Å; K569-P580 WeakPolarHBondContact O-CB 3.41Å
570T96.5Very high96.4Very high53 Ų5349.1 Ų49.133%0.32524%0.24SC..G310 helixtrans-100-1.1173.548.20000112.3F566 G567 Q568 R572F566-T570 HydrophobicContact CB-CG2 3.93Å; F566-T570 HydrophobicContact CD2-CG2 3.72Å; F566-T570 HydrophobicContact CG-CG2 4.25Å; F566-T570 PolarHBondContact N-OG1 3.4Å; F566-T570 VanDerWaalsContact N-OG1 3.13Å; G567-T570 PolarHBondContact N-OG1 3.08Å; G567-T570 PolarHBondContact O-N 2.59Å; G567-T570 PolarHBondContact O-OG1 3.12Å; G567-T570 VanDerWaalsContact O-OG1 3.09Å; Q568-T570 VanDerWaalsContact C-N 3.26Å; Q568-T570 PolarHBondContact O-N 3Å; T570-R572 PolarHBondContact O-N 2.96Å; T570-R572 PolarHBondContact OG1-O 3.17Å
571G96.9Very high96.1Very high3 Ų351.4 Ų51.43%0.03126%0.263CS..THydrogen-bonded Turntrans74.52.6-175.500000114.4G567 Q568 Y577G567-G571 PolarHBondContact O-N 3.37Å; G567-G571 VanDerWaalsContact O-N 3.1Å; Q568-G571 PolarHBondContact O-N 2.95Å; G571-Y577 PolarHBondContact O-N 3.39Å
572R97.9Very high95.9Very high99 Ų9951.4 Ų51.437%0.37426%0.264SS..BIsolated β-bridgetrans-150125-174.4-63.8-66.2177.6163.1-8.6110.3R565 F566 G567 T570 D588R565-R572 CarbonylContact C-O 3.49Å; R565-R572 VanDerWaalsContact CA-O 3.23Å; R565-R572 WeakPolarHBondContact CA-O 3.24Å; R565-R572 HydrophobicContact CG-CB 4.38Å; F566-R572 PolarHBondContact N-O 3.25Å; G567-R572 PolarHBondContact N-O 2.95Å; G567-R572 CarbonylContact O-C 3.52Å; G567-R572 PolarHBondContact O-N 3.1Å; T570-R572 PolarHBondContact O-N 2.96Å; T570-R572 PolarHBondContact OG1-O 3.17Å; R572-D588 IonicContact CZ-OD2 2.87Å; R572-D588 IonicContact NH1-OD1 3.45Å; R572-D588 PolarHBondContact NH1-OD1 2.69Å; R572-D588 IonicContact NH1-OD2 3.15Å; R572-D588 PolarHBondContact NH1-OD2 3Å
573G97.4Very high95.6Very high0 Ų057.8 Ų57.80%028%0.284CS..SBendtrans-152.1-121.7173.900000110D519 R565 Y575D519-G573 WeakPolarHBondContact OD1-CA 3.42Å; R565-G573 PolarHBondContact NE-O 2.96Å; R565-G573 VanDerWaalsContact NE-O 3.12Å; R565-G573 PolarHBondContact NH2-O 3.24Å; G573-Y575 VanDerWaalsContact C-N 3.28Å; G573-Y575 PolarHBondContact N-O 2.79Å
574W98.3Very high95.5Very high1 Ų155.9 Ų55.90%0.00429%0.286CS..SBendtrans-66.2-33.4164.5-59.9110.5000111.6F489 L492 P498 F515 S518 D519 L523 L556 L560 L591F489-W574 HydrophobicContact CD1-CH2 4.09Å; F489-W574 HydrophobicContact CD1-CZ2 4.01Å; F489-W574 HydrophobicContact CE1-CH2 4.03Å; F489-W574 AromaticContact CE1-CZ2 3.47Å; F489-W574 HydrophobicContact CE1-CZ2 3.47Å; F489-W574 VanDerWaalsContact CE1-CZ2 3.47Å; F489-W574 HydrophobicContact CZ-CZ2 4.07Å; L492-W574 HydrophobicContact CD1-CE3 4.03Å; L492-W574 HydrophobicContact CD1-CH2 4.24Å; L492-W574 HydrophobicContact CD1-CZ3 3.58Å; P498-W574 HydrophobicContact CB-CB 4.48Å; P498-W574 HydrophobicContact CG-CB 4.5Å; P498-W574 HydrophobicContact CG-CE3 4.36Å; F515-W574 HydrophobicContact CB-CB 4.03Å; F515-W574 HydrophobicContact CB-CG 4.04Å; F515-W574 HydrophobicContact CD1-CB 4.38Å; F515-W574 AromaticContact CD1-CD1 3.8Å; F515-W574 AromaticContact CD1-CD2 3.51Å; F515-W574 HydrophobicContact CD1-CD2 3.51Å; F515-W574 AromaticContact CD1-CE2 3.61Å; F515-W574 HydrophobicContact CD1-CE3 4.01Å; F515-W574 AromaticContact CD1-CG 3.66Å; F515-W574 HydrophobicContact CD1-CG 3.66Å; F515-W574 HydrophobicContact CD1-CZ2 4.21Å; F515-W574 AromaticContact CD1-NE1 3.75Å; F515-W574 AromaticContact CE1-CD2 3.99Å; F515-W574 HydrophobicContact CE1-CD2 3.99Å; F515-W574 AromaticContact CE1-CE2 3.93Å; F515-W574 HydrophobicContact CE1-CE3 4.12Å; F515-W574 HydrophobicContact CE1-CH2 4.19Å; F515-W574 HydrophobicContact CE1-CZ2 4.05Å; F515-W574 HydrophobicContact CE1-CZ3 4.22Å; F515-W574 HydrophobicContact CG-CD2 4.47Å; F515-W574 HydrophobicContact CG-CG 4.27Å; S518-W574 PolarHBondContact OG-NE1 3.47Å; D519-W574 VanDerWaalsContact OD1-CD1 3.26Å; D519-W574 PolarHBondContact OD1-N 3.48Å; D519-W574 PolarHBondContact OD2-N 3.14Å; L523-W574 HydrophobicContact CD2-CZ2 4.38Å; L556-W574 HydrophobicContact CB-CH2 3.83Å; L556-W574 HydrophobicContact CB-CZ3 4.31Å; L560-W574 HydrophobicContact CD1-CD2 3.66Å; L560-W574 HydrophobicContact CD1-CE3 3.46Å; L560-W574 VanDerWaalsContact CD1-CE3 3.46Å; L560-W574 HydrophobicContact CD1-CG 4.41Å; L560-W574 HydrophobicContact CD1-CH2 3.82Å; L560-W574 HydrophobicContact CD1-CZ2 4Å; L560-W574 HydrophobicContact CD1-CZ3 3.55Å; W574-L591 HydrophobicContact CE3-CD1 4.44Å; W574-L591 HydrophobicContact CE3-CD2 4.14Å; W574-L591 WeakPolarHBondContact O-CD2 3.32Å
575Y98.4Very high95.4Very high5 Ų555.7 Ų55.72%0.0228%0.28CS..SBendtrans-110.3169.1172.8-66.1-83.8000111.4P498 E499 D502 F515 K516 D519 G573 A585 K586P498-Y575 VanDerWaalsContact C-OH 3.23Å; P498-Y575 HydrophobicContact CB-CE2 4.3Å; P498-Y575 PolarHBondContact O-OH 2.93Å; E499-Y575 VanDerWaalsContact CA-OH 3.26Å; E499-Y575 WeakPolarHBondContact CA-OH 3.32Å; E499-Y575 HydrophobicContact CB-CE1 4.26Å; E499-Y575 PolarHBondContact N-OH 3.41Å; D502-Y575 PolarHBondContact OD2-OH 2.98Å; F515-Y575 HydrophobicContact CB-CE2 3.88Å; K516-Y575 HydrophobicContact CB-CE2 4.45Å; K516-Y575 HydrophobicContact CG-CD2 3.99Å; K516-Y575 HydrophobicContact CG-CE2 3.53Å; D519-Y575 PolarHBondContact OD2-N 3.46Å; G573-Y575 VanDerWaalsContact C-N 3.28Å; G573-Y575 PolarHBondContact N-O 2.79Å; Y575-A585 HydrophobicContact CD1-CB 4.22Å; Y575-A585 HydrophobicContact CD2-CB 4.32Å; Y575-A585 HydrophobicContact CG-CB 3.88Å; Y575-K586 WeakPolarHBondContact CD1-O 3.34Å
576Q97.8Very high95.4Very high47 Ų4760.1 Ų60.122%0.2230%0.3CS..EExtended strand (participates in β ladder)trans-102.5145162.160.5176.3-0.700110.6K586 P587 D588Q576-K586 HydrophobicContact CG-CB 4.07Å; Q576-K586 WeakPolarHBondContact CG-O 3.46Å; Q576-K586 PolarHBondContact N-O 2.93Å; Q576-K586 PolarHBondContact O-N 3.23Å; Q576-P587 WeakPolarHBondContact CG-O 3.27Å; Q576-P587 PolarHBondContact NE2-O 2.85Å; Q576-D588 HydrophobicContact CB-CB 3.92Å; Q576-D588 HydrophobicContact CG-CB 3.92Å
577Y97.4Very high95.4Very high19 Ų1960.7 Ų60.78%0.07531%0.309CS..EExtended strand (participates in β ladder)trans-118.4155.1177.3-60.9-93.7000109.6D519 Q568 G571 K579 G582 A585D519-Y577 HydrophobicContact CB-CE2 4.11Å; D519-Y577 WeakPolarHBondContact CB-OH 3.5Å; D519-Y577 WeakPolarHBondContact OD2-CE2 3.2Å; D519-Y577 PolarHBondContact OD2-OH 3.37Å; Q568-Y577 HydrophobicContact CB-CE1 4.24Å; Q568-Y577 HydrophobicContact CB-CE2 4.17Å; Q568-Y577 HydrophobicContact CG-CD1 4.17Å; Q568-Y577 HydrophobicContact CG-CE1 4.02Å; G571-Y577 PolarHBondContact O-N 3.39Å; Y577-K579 PolarHBondContact O-N 2.76Å; Y577-G582 WeakPolarHBondContact CD1-O 3.01Å; Y577-A585 HydrophobicContact CD1-CB 4.47Å; Y577-A585 HydrophobicContact CE1-CB 3.75Å
578D92.9Very high95.4Very high103 Ų10361 Ų6155%0.55131%0.311SS*.SBendtrans-58.5-33.317958.6-54000112.6G582D578-G582 VanDerWaalsContact OD1-CA 3.24Å; D578-G582 WeakPolarHBondContact OD1-CA 3.36Å
579K93.4Very high95.5Very high132 Ų13263.4 Ų63.457%0.57433%0.33SS*.SBendtrans-157.9164.9175.760.7-172.9173.3-1770110.4Y577 G581 G582Y577-K579 PolarHBondContact O-N 2.76Å; K579-G581 PolarHBondContact O-N 3.35Å; K579-G582 WeakPolarHBondContact O-CA 3.47Å; K579-G582 PolarHBondContact O-N 3.22Å
580P94.3Very high95.6Very high94 Ų9463.2 Ų63.261%0.6133%0.326SS*.THydrogen-bonded Turntrans-50.8124.7166.1-27.937000111.6K569 G582K569-P580 WeakPolarHBondContact O-CB 3.41Å; P580-G582 VanDerWaalsContact C-N 3.3Å; P580-G582 PolarHBondContact O-N 3.47Å
581G90.6Very high95.7Very high48 Ų4860.8 Ų60.850%0.49531%0.311SS..THydrogen-bonded Turntrans78.85.6-174.300000115.3Q568 K579Q568-G581 PolarHBondContact O-N 2.94Å; K579-G581 PolarHBondContact O-N 3.35Å
582G91.9Very high95.7Very high2 Ų263.3 Ų63.32%0.02132%0.322CS..  trans-62.3146.6177.300000112.9Q568 Y577 D578 K579 P580Q568-G582 VanDerWaalsContact CG-O 3.24Å; Q568-G582 WeakPolarHBondContact CG-O 3.38Å; Q568-G582 PolarHBondContact NE2-O 3.19Å; Y577-G582 WeakPolarHBondContact CD1-O 3.01Å; D578-G582 VanDerWaalsContact OD1-CA 3.24Å; D578-G582 WeakPolarHBondContact OD1-CA 3.36Å; K579-G582 WeakPolarHBondContact O-CA 3.47Å; K579-G582 PolarHBondContact O-N 3.22Å; P580-G582 VanDerWaalsContact C-N 3.3Å; P580-G582 PolarHBondContact O-N 3.47Å
583R89.6Confident95.7Very high230 Ų23059.8 Ų59.887%0.86832%0.316SS*.SBendtrans-91.4-16.5-175.5-67.9-174.61801781114.1
584V92.8Very high95.7Very high83 Ų8360.3 Ų60.350%0.50332%0.319SS..  trans-97.9105.1-173.2-175.50000109K586V584-K586 HydrophobicContact CG1-CG 4.23Å
585A94.9Very high95.7Very high33 Ų3360.3 Ų60.327%0.27332%0.319SS..EExtended strand (participates in β ladder)trans-78128.6171.200000109.9K516 Y575 Y577K516-A585 HydrophobicContact CG-CB 4.37Å; Y575-A585 HydrophobicContact CD1-CB 4.22Å; Y575-A585 HydrophobicContact CD2-CB 4.32Å; Y575-A585 HydrophobicContact CG-CB 3.88Å; Y577-A585 HydrophobicContact CD1-CB 4.47Å; Y577-A585 HydrophobicContact CE1-CB 3.75Å
586K96.9Very high95.6Very high114 Ų11466.1 Ų66.150%0.49635%0.346SS..EExtended strand (participates in β ladder)trans-124.4146.6173.5-62.7179.7-178.9178.40109.6Y575 Q576 V584 D588Y575-K586 WeakPolarHBondContact CD1-O 3.34Å; Q576-K586 HydrophobicContact CG-CB 4.07Å; Q576-K586 WeakPolarHBondContact CG-O 3.46Å; Q576-K586 PolarHBondContact N-O 2.93Å; Q576-K586 PolarHBondContact O-N 3.23Å; V584-K586 HydrophobicContact CG1-CG 4.23Å; K586-D588 PolarHBondContact O-N 2.91Å
587P97.6Very high95.5Very high64 Ų6470.2 Ų70.242%0.41637%0.365SS..  trans-51.4140.1170.1-25.534.7000110.9E499 Q576E499-P587 HydrophobicContact CG-CG 4.45Å; Q576-P587 WeakPolarHBondContact CG-O 3.27Å; Q576-P587 PolarHBondContact NE2-O 2.85Å
588D97.4Very high95.4Very high6 Ų669.6 Ų69.63%0.03236%0.363CS..  trans-110.3111.8-179.2-167.6-15000109.8R565 R572 Q576 K586 W590 L591 H592R565-D588 IonicContact CZ-OD2 2.63Å; R565-D588 IonicContact NH1-OD2 3.78Å; R565-D588 PolarHBondContact NH1-OD2 2.9Å; R565-D588 VanDerWaalsContact NH1-OD2 3.15Å; R565-D588 IonicContact NH2-OD2 3.19Å; R565-D588 PolarHBondContact NH2-OD2 2.99Å; R572-D588 IonicContact CZ-OD2 2.87Å; R572-D588 IonicContact NH1-OD1 3.45Å; R572-D588 PolarHBondContact NH1-OD1 2.69Å; R572-D588 IonicContact NH1-OD2 3.15Å; R572-D588 PolarHBondContact NH1-OD2 3Å; Q576-D588 HydrophobicContact CB-CB 3.92Å; Q576-D588 HydrophobicContact CG-CB 3.92Å; K586-D588 PolarHBondContact O-N 2.91Å; D588-W590 PolarHBondContact O-N 3.01Å; D588-W590 VanDerWaalsContact O-N 3.13Å; D588-W590 VanDerWaalsContact OD1-CB 3.32Å; D588-W590 WeakPolarHBondContact OD1-CB 3.44Å; D588-W590 PolarHBondContact OD1-N 3.39Å; D588-L591 HydrophobicContact CB-CB 4.3Å; D588-L591 WeakPolarHBondContact O-CB 3.37Å; D588-L591 PolarHBondContact O-N 2.73Å; D588-H592 PolarHBondContact O-N 3.34Å
589P97.2Very high95.5Very high90 Ų9065.9 Ų65.958%0.58434%0.341SS*.Hα-helixtrans-55.2-29.7176.5-26.435000113.6L591 H592 G593P589-L591 VanDerWaalsContact C-N 3.27Å; P589-L591 PolarHBondContact O-N 2.94Å; P589-H592 PolarHBondContact O-N 3.16Å; P589-G593 PolarHBondContact O-N 3.46Å; P589-G593 VanDerWaalsContact O-N 3.16Å
590W97.8Very high95.6Very high101 Ų10163.4 Ų63.438%0.38335%0.345SS..Hα-helixtrans-61-38.4174.6178.187.7000111.6L560 R565 D588 F594L560-W590 HydrophobicContact CD2-CH2 3.9Å; L560-W590 HydrophobicContact CD2-CZ3 3.57Å; R565-W590 VanDerWaalsContact NE-CZ3 3.32Å; R565-W590 VanDerWaalsContact NH1-CE3 3.32Å; D588-W590 PolarHBondContact O-N 3.01Å; D588-W590 VanDerWaalsContact O-N 3.13Å; D588-W590 VanDerWaalsContact OD1-CB 3.32Å; D588-W590 WeakPolarHBondContact OD1-CB 3.44Å; D588-W590 PolarHBondContact OD1-N 3.39Å; W590-F594 HydrophobicContact CE3-CB 4.4Å; W590-F594 HydrophobicContact CH2-CB 3.99Å; W590-F594 HydrophobicContact CH2-CD2 4.01Å; W590-F594 AromaticContact CH2-CG 3.91Å; W590-F594 HydrophobicContact CH2-CG 3.91Å; W590-F594 HydrophobicContact CZ2-CB 4.29Å; W590-F594 HydrophobicContact CZ2-CD2 4.41Å; W590-F594 HydrophobicContact CZ3-CB 4.04Å; W590-F594 HydrophobicContact CZ3-CG 4.18Å; W590-F594 WeakPolarHBondContact O-CB 3.31Å; W590-F594 PolarHBondContact O-N 2.67Å
591L98Very high95.5Very high2 Ų265.5 Ų65.51%0.0135%0.347CS..Hα-helixtrans-70.4-37.7179.8-17670.6000111.4P498 L560 W574 D588 P589 F594 L595P498-L591 HydrophobicContact CG-CD2 3.48Å; P498-L591 VanDerWaalsContact CG-CD2 3.48Å; L560-L591 HydrophobicContact CD1-CD1 4.37Å; L560-L591 HydrophobicContact CD2-CD1 3.86Å; W574-L591 HydrophobicContact CE3-CD1 4.44Å; W574-L591 HydrophobicContact CE3-CD2 4.14Å; W574-L591 WeakPolarHBondContact O-CD2 3.32Å; D588-L591 HydrophobicContact CB-CB 4.3Å; D588-L591 WeakPolarHBondContact O-CB 3.37Å; D588-L591 PolarHBondContact O-N 2.73Å; P589-L591 VanDerWaalsContact C-N 3.27Å; P589-L591 PolarHBondContact O-N 2.94Å; L591-F594 HydrophobicContact CD1-CD1 3.8Å; L591-F594 HydrophobicContact CD1-CE1 4.48Å; L591-F594 PolarHBondContact O-N 3.47Å; L591-L595 HydrophobicContact CG-CD1 4.25Å; L591-L595 HydrophobicContact CG-CG 4.38Å; L591-L595 WeakPolarHBondContact O-CG 3.41Å; L591-L595 PolarHBondContact O-N 3.41Å
592H97.1Very high95.5Very high57 Ų5765.2 Ų65.226%0.26433%0.333SS..Hα-helixtrans-59.5-49.5175.6-62.3141.1000111E499 D588 P589 F594 L595 E596E499-H592 IonicContact OE1-CD2 3.95Å; E499-H592 IonicContact OE1-CE1 2.69Å; E499-H592 IonicContact OE1-NE2 3.5Å; E499-H592 PolarHBondContact OE1-NE2 2.85Å; E499-H592 IonicContact OE2-NE2 3.5Å; D588-H592 PolarHBondContact O-N 3.34Å; P589-H592 PolarHBondContact O-N 3.16Å; H592-F594 PolarHBondContact O-N 2.9Å; H592-L595 PolarHBondContact O-N 2.7Å; H592-E596 WeakPolarHBondContact O-CG 3.21Å; H592-E596 PolarHBondContact O-N 2.86Å
593G97.7Very high95.5Very high24 Ų2468.3 Ų68.325%0.24736%0.364CS..Hα-helixtrans-60.2-43174.500000112.9P589 L595 E596 E597P589-G593 PolarHBondContact O-N 3.46Å; P589-G593 VanDerWaalsContact O-N 3.16Å; G593-L595 VanDerWaalsContact C-N 3.35Å; G593-L595 PolarHBondContact O-N 3.34Å; G593-E596 PolarHBondContact O-N 2.81Å; G593-E597 WeakPolarHBondContact O-CB 3.5Å; G593-E597 WeakPolarHBondContact O-CG 3.37Å; G593-E597 PolarHBondContact O-N 2.61Å
594F97.6Very high95.7Very high11 Ų1159.2 Ų59.25%0.04833%0.333CS..Hα-helixtrans-59.2-41.9175.5167-99.4000113L556 L559 L560 W590 L591 H592 Y598L556-F594 HydrophobicContact CD2-CE1 3.82Å; L556-F594 HydrophobicContact CD2-CZ 4.2Å; L559-F594 HydrophobicContact CB-CE2 4.2Å; L559-F594 HydrophobicContact CB-CZ 3.71Å; L559-F594 HydrophobicContact CD1-CE2 4.45Å; L559-F594 HydrophobicContact CD1-CZ 3.96Å; L560-F594 HydrophobicContact CD2-CD1 4.39Å; L560-F594 HydrophobicContact CD2-CE1 4.21Å; W590-F594 HydrophobicContact CE3-CB 4.4Å; W590-F594 HydrophobicContact CH2-CB 3.99Å; W590-F594 HydrophobicContact CH2-CD2 4.01Å; W590-F594 AromaticContact CH2-CG 3.91Å; W590-F594 HydrophobicContact CH2-CG 3.91Å; W590-F594 HydrophobicContact CZ2-CB 4.29Å; W590-F594 HydrophobicContact CZ2-CD2 4.41Å; W590-F594 HydrophobicContact CZ3-CB 4.04Å; W590-F594 HydrophobicContact CZ3-CG 4.18Å; W590-F594 WeakPolarHBondContact O-CB 3.31Å; W590-F594 PolarHBondContact O-N 2.67Å; L591-F594 HydrophobicContact CD1-CD1 3.8Å; L591-F594 HydrophobicContact CD1-CE1 4.48Å; L591-F594 PolarHBondContact O-N 3.47Å; H592-F594 PolarHBondContact O-N 2.9Å; F594-Y598 VanDerWaalsContact O-CB 3.24Å; F594-Y598 WeakPolarHBondContact O-CB 3.48Å; F594-Y598 PolarHBondContact O-N 3.16Å
595L97.4Very high95.7Very high2 Ų261.4 Ų61.41%0.0135%0.346CS..Hα-helixtrans-68.5-39177.8-71.1173.7000111.7L492 L556 L591 H592 G593 Y598 R599L492-L595 HydrophobicContact CB-CD2 4.27Å; L556-L595 HydrophobicContact CD1-CD2 3.99Å; L556-L595 HydrophobicContact CD2-CD2 3.91Å; L591-L595 HydrophobicContact CG-CD1 4.25Å; L591-L595 HydrophobicContact CG-CG 4.38Å; L591-L595 WeakPolarHBondContact O-CG 3.41Å; L591-L595 PolarHBondContact O-N 3.41Å; H592-L595 PolarHBondContact O-N 2.7Å; G593-L595 VanDerWaalsContact C-N 3.35Å; G593-L595 PolarHBondContact O-N 3.34Å; L595-Y598 PolarHBondContact O-N 3.41Å; L595-R599 WeakPolarHBondContact O-CB 3.44Å; L595-R599 WeakPolarHBondContact O-CG 3.43Å; L595-R599 PolarHBondContact O-N 3.24Å
596E96.9Very high95.7Very high127 Ų12762.5 Ų62.559%0.59336%0.355SS*.Hα-helixtrans-62.7-48.2174.9-72.5173.9-177.900111.7H592 G593 Y598 R599 A600H592-E596 WeakPolarHBondContact O-CG 3.21Å; H592-E596 PolarHBondContact O-N 2.86Å; G593-E596 PolarHBondContact O-N 2.81Å; E596-Y598 PolarHBondContact O-N 3.12Å; E596-R599 PolarHBondContact O-N 3.03Å; E596-A600 WeakPolarHBondContact O-CB 3.48Å; E596-A600 PolarHBondContact O-N 3.03Å
597E95.9Very high95.7Very high133 Ų13361.6 Ų61.662%0.62135%0.348SS*.Hα-helixtrans-59.9-46.1175.5-73.2173.3-170.400111.7G593 R599 A600 Q601G593-E597 WeakPolarHBondContact O-CB 3.5Å; G593-E597 WeakPolarHBondContact O-CG 3.37Å; G593-E597 PolarHBondContact O-N 2.61Å; E597-R599 VanDerWaalsContact C-N 3.35Å; E597-R599 PolarHBondContact O-N 2.91Å; E597-A600 PolarHBondContact O-N 2.87Å; E597-Q601 WeakPolarHBondContact O-CB 3.3Å; E597-Q601 PolarHBondContact O-N 2.85Å
598Y95.1Very high95.7Very high5 Ų566 Ų662%0.0236%0.363CS..Hα-helixtrans-59.6-45.1177.5175.7-94.4000111.6E493 R546 P555 L556 L559 F594 L595 E596 Q601 H602 L604E493-Y598 HydrophobicContact CG-CE1 3.84Å; E493-Y598 PolarHBondContact OE1-OH 3.37Å; R546-Y598 WeakPolarHBondContact CD-OH 3.23Å; R546-Y598 PolarHBondContact NE-OH 3.39Å; P555-Y598 VanDerWaalsContact CD-OH 3.29Å; P555-Y598 WeakPolarHBondContact CD-OH 3.49Å; P555-Y598 HydrophobicContact CG-CE2 4.05Å; P555-Y598 WeakPolarHBondContact CG-OH 3.4Å; L556-Y598 HydrophobicContact CD2-CD1 3.7Å; L556-Y598 HydrophobicContact CD2-CD2 4.03Å; L556-Y598 HydrophobicContact CD2-CE1 3.81Å; L556-Y598 HydrophobicContact CD2-CE2 4.14Å; L556-Y598 HydrophobicContact CD2-CG 3.8Å; L556-Y598 HydrophobicContact CG-CE1 4.34Å; L559-Y598 HydrophobicContact CD1-CD2 3.84Å; L559-Y598 HydrophobicContact CD1-CE2 3.81Å; F594-Y598 VanDerWaalsContact O-CB 3.24Å; F594-Y598 WeakPolarHBondContact O-CB 3.48Å; F594-Y598 PolarHBondContact O-N 3.16Å; L595-Y598 PolarHBondContact O-N 3.41Å; E596-Y598 PolarHBondContact O-N 3.12Å; Y598-Q601 PolarHBondContact O-N 2.75Å; Y598-H602 AromaticContact CD2-CD2 3.61Å; Y598-H602 AromaticContact CD2-NE2 3.91Å; Y598-H602 AromaticContact CE2-CD2 3.37Å; Y598-H602 WeakPolarHBondContact CE2-CD2 3.41Å; Y598-H602 AromaticContact CE2-NE2 3.47Å; Y598-H602 WeakPolarHBondContact CE2-NE2 2.89Å; Y598-H602 AromaticContact CZ-CD2 3.73Å; Y598-H602 PolarHBondContact O-CD2 2.85Å; Y598-H602 VanDerWaalsContact O-CD2 3.28Å; Y598-H602 PolarHBondContact O-N 2.9Å; Y598-H602 VanDerWaalsContact O-N 3.16Å; Y598-L604 HydrophobicContact CE1-CD1 4.06Å
599R95.5Very high95.7Very high26 Ų2665.9 Ų65.910%0.09836%0.362CS..Hα-helixtrans-62.6-46.7177.4-72.6169.4-166.3152.4-0.7111.1L492 E493 G495 A496 L595 E596 E597 Q601 H602 G603 L604L492-R599 VanDerWaalsContact O-CZ 3.29Å; L492-R599 PolarHBondContact O-NE 2.91Å; L492-R599 VanDerWaalsContact O-NE 3.08Å; L492-R599 PolarHBondContact O-NH2 3.47Å; E493-R599 WeakPolarHBondContact O-CG 3.49Å; G495-R599 VanDerWaalsContact C-NH2 3.28Å; G495-R599 PolarHBondContact O-NH2 2.83Å; A496-R599 PolarHBondContact O-NH2 2.98Å; L595-R599 WeakPolarHBondContact O-CB 3.44Å; L595-R599 WeakPolarHBondContact O-CG 3.43Å; L595-R599 PolarHBondContact O-N 3.24Å; E596-R599 PolarHBondContact O-N 3.03Å; E597-R599 VanDerWaalsContact C-N 3.35Å; E597-R599 PolarHBondContact O-N 2.91Å; R599-Q601 PolarHBondContact O-N 3.29Å; R599-H602 CarbonylContact O-C 3.17Å; R599-H602 PolarHBondContact O-N 3.5Å; R599-G603 PolarHBondContact O-N 3.46Å; R599-L604 HydrophobicContact CB-CB 4.03Å; R599-L604 HydrophobicContact CG-CB 4.16Å; R599-L604 PolarHBondContact O-N 2.84Å
600A94.6Very high95.6Very high79 Ų7965.1 Ų65.165%0.65335%0.354SS*.Hα-helixtrans-60.5-45.517800000112.2E596 E597 H602 G603E596-A600 WeakPolarHBondContact O-CB 3.48Å; E596-A600 PolarHBondContact O-N 3.03Å; E597-A600 PolarHBondContact O-N 2.87Å; A600-H602 VanDerWaalsContact C-N 3.25Å; A600-H602 PolarHBondContact O-N 3.28Å; A600-G603 PolarHBondContact O-N 3Å
601Q92.6Very high95.6Very high138 Ų13864.2 Ų64.265%0.64535%0.354SS*.Hα-helixtrans-61.1-34179.2-175.2178.69.600112.8E597 Y598 R599E597-Q601 WeakPolarHBondContact O-CB 3.3Å; E597-Q601 PolarHBondContact O-N 2.85Å; Y598-Q601 PolarHBondContact O-N 2.75Å; R599-Q601 PolarHBondContact O-N 3.29Å
602H90.6Very high95.6Very high43 Ų4368.4 Ų68.420%0.19937%0.373CS..THydrogen-bonded Turntrans-1008.3-178.3-71-71.1000114Y598 R599 A600 L604Y598-H602 AromaticContact CD2-CD2 3.61Å; Y598-H602 AromaticContact CD2-NE2 3.91Å; Y598-H602 AromaticContact CE2-CD2 3.37Å; Y598-H602 WeakPolarHBondContact CE2-CD2 3.41Å; Y598-H602 AromaticContact CE2-NE2 3.47Å; Y598-H602 WeakPolarHBondContact CE2-NE2 2.89Å; Y598-H602 AromaticContact CZ-CD2 3.73Å; Y598-H602 PolarHBondContact O-CD2 2.85Å; Y598-H602 VanDerWaalsContact O-CD2 3.28Å; Y598-H602 PolarHBondContact O-N 2.9Å; Y598-H602 VanDerWaalsContact O-N 3.16Å; R599-H602 CarbonylContact O-C 3.17Å; R599-H602 PolarHBondContact O-N 3.5Å; A600-H602 VanDerWaalsContact C-N 3.25Å; A600-H602 PolarHBondContact O-N 3.28Å; H602-L604 HydrophobicContact CB-CD1 4.27Å; H602-L604 HydrophobicContact CB-CG 4.1Å; H602-L604 PolarHBondContact O-N 3.27Å
603G93Very high95.6Very high66 Ų6666.5 Ų66.568%0.6836%0.364SS*.THydrogen-bonded Turntrans62.827.5-179.600000113.8R599 A600R599-G603 PolarHBondContact O-N 3.46Å; A600-G603 PolarHBondContact O-N 3Å
604L93.2Very high95.7Very high40 Ų4065.4 Ų65.421%0.20935%0.352CS..PPolyproline II helixtrans-85.9125.8178.8-64.8176.8000110.5E493 Y598 R599 H602E493-L604 HydrophobicContact CB-CD1 4Å; Y598-L604 HydrophobicContact CE1-CD1 4.06Å; R599-L604 HydrophobicContact CB-CB 4.03Å; R599-L604 HydrophobicContact CG-CB 4.16Å; R599-L604 PolarHBondContact O-N 2.84Å; H602-L604 HydrophobicContact CB-CD1 4.27Å; H602-L604 HydrophobicContact CB-CG 4.1Å; H602-L604 PolarHBondContact O-N 3.27Å
605V92.6Very high95.7Very high128 Ų12865.6 Ų65.678%0.77635%0.354SS*.PPolyproline II helixtrans-89.6118.8175.8-177.10000108.8R607V605-R607 PolarHBondContact O-N 3Å
606A95.7Very high95.7Very high57 Ų5766 Ų6647%0.47136%0.356SS..PPolyproline II helixtrans-65.1132172.700000110
607R96.6Very high95.8Very high94 Ų9460 Ų6036%0.35533%0.328SS..  trans-122162.5174.758.7172.5-17397.6-2.4110.5E494 V605 I609 E613E494-R607 WeakPolarHBondContact O-CG 3.47Å; E494-R607 PolarHBondContact O-N 3.44Å; E494-R607 IonicContact OE2-CZ 3.45Å; E494-R607 IonicContact OE2-NE 3.7Å; E494-R607 IonicContact OE2-NH2 3.48Å; E494-R607 PolarHBondContact OE2-NH2 3.07Å; V605-R607 PolarHBondContact O-N 3Å; R607-I609 HydrophobicContact CG-CD1 3.8Å; R607-I609 PolarHBondContact O-N 3.3Å; R607-E613 IonicContact CZ-OE1 2.71Å; R607-E613 IonicContact CZ-OE2 2.67Å; R607-E613 IonicContact NH1-OE1 3.18Å; R607-E613 IonicContact NH1-OE2 3.52Å; R607-E613 PolarHBondContact NH1-OE2 3.47Å; R607-E613 IonicContact NH2-OE1 2.82Å; R607-E613 PolarHBondContact NH2-OE1 2.77Å; R607-E613 IonicContact NH2-OE2 2.83Å; R607-E613 PolarHBondContact NH2-OE2 3.06Å
608H96.6Very high95.9Very high158 Ų15853.7 Ų53.773%0.73130%0.298SS*.PPolyproline II helixtrans-68123.8169.6-179.6-87.5000109.7
609I97.4Very high96.1Very high2 Ų253.4 Ų53.41%0.0130%0.297CS..PPolyproline II helixtrans-102.4118.4173.4-51.9-55.2000107.3L491 E494 A496 Q500 R607 E613 V614L491-I609 HydrophobicContact CD2-CG2 3.66Å; E494-I609 HydrophobicContact CB-CD1 4.09Å; A496-I609 HydrophobicContact CB-CB 4.27Å; A496-I609 HydrophobicContact CB-CG1 3.95Å; Q500-I609 PolarHBondContact NE2-O 3.39Å; R607-I609 HydrophobicContact CG-CD1 3.8Å; R607-I609 PolarHBondContact O-N 3.3Å; I609-E613 HydrophobicContact CG2-CG 4.45Å; I609-V614 HydrophobicContact CG2-CG2 3.66Å
610D95.9Very high96.2Very high75 Ų7552.5 Ų52.540%0.40129%0.294SS..PPolyproline II helixtrans-81.6164.7177.975.147.7000112.5Q612 E613 V614D610-Q612 VanDerWaalsContact C-N 3.32Å; D610-Q612 PolarHBondContact O-N 3.38Å; D610-Q612 WeakPolarHBondContact OD1-CA 3.24Å; D610-Q612 WeakPolarHBondContact OD1-CB 3.48Å; D610-Q612 PolarHBondContact OD1-N 3.28Å; D610-E613 PolarHBondContact O-N 3.33Å; D610-E613 WeakPolarHBondContact OD1-CB 3.37Å; D610-E613 PolarHBondContact OD1-N 3.45Å; D610-V614 PolarHBondContact O-N 3.22Å
611H97.1Very high96.4Very high82 Ų8248.9 Ų48.938%0.3826%0.264SS..Hα-helixtrans-57.3-46.2179.5-173.6146.4000111.4V504 E507 E613 V614 L615V504-H611 WeakPolarHBondContact CG1-CD2 3.44Å; V504-H611 HydrophobicContact CG2-CB 4.24Å; E507-H611 IonicContact OE2-CE1 2.87Å; E507-H611 PolarHBondContact OE2-CE1 3.03Å; E507-H611 IonicContact OE2-ND1 2.71Å; H611-E613 VanDerWaalsContact C-N 3.32Å; H611-E613 PolarHBondContact O-N 3.01Å; H611-V614 PolarHBondContact O-N 2.96Å; H611-L615 PolarHBondContact O-N 3.46Å
612Q97.7Very high96.7Very high90 Ų9042.4 Ų42.442%0.42123%0.233SC..Hα-helixtrans-65.1-39.7-173.9-175.562.423.600110.7D610 V614 L615 E616D610-Q612 VanDerWaalsContact C-N 3.32Å; D610-Q612 PolarHBondContact O-N 3.38Å; D610-Q612 WeakPolarHBondContact OD1-CA 3.24Å; D610-Q612 WeakPolarHBondContact OD1-CB 3.48Å; D610-Q612 PolarHBondContact OD1-N 3.28Å; Q612-V614 PolarHBondContact O-N 3.35Å; Q612-L615 PolarHBondContact O-N 3.32Å; Q612-E616 HydrophobicContact CG-CG 4.1Å; Q612-E616 WeakPolarHBondContact CG-OE1 3.16Å; Q612-E616 VanDerWaalsContact NE2-CG 3.34Å; Q612-E616 PolarHBondContact NE2-OE1 3.45Å; Q612-E616 WeakPolarHBondContact O-CB 3.45Å; Q612-E616 VanDerWaalsContact O-CG 3.28Å; Q612-E616 WeakPolarHBondContact O-CG 3.33Å; Q612-E616 PolarHBondContact O-N 3.29Å
613E98.3Very high97.1Very high17 Ų1740.3 Ų40.38%0.07922%0.224CC..Hα-helixtrans-61.8-42.4177.2176.1171.9-176.800112.4L491 R607 I609 D610 H611 L615 E616 R617 Y677L491-E613 HydrophobicContact CD2-CG 4.28Å; R607-E613 IonicContact CZ-OE1 2.71Å; R607-E613 IonicContact CZ-OE2 2.67Å; R607-E613 IonicContact NH1-OE1 3.18Å; R607-E613 IonicContact NH1-OE2 3.52Å; R607-E613 PolarHBondContact NH1-OE2 3.47Å; R607-E613 IonicContact NH2-OE1 2.82Å; R607-E613 PolarHBondContact NH2-OE1 2.77Å; R607-E613 IonicContact NH2-OE2 2.83Å; R607-E613 PolarHBondContact NH2-OE2 3.06Å; I609-E613 HydrophobicContact CG2-CG 4.45Å; D610-E613 PolarHBondContact O-N 3.33Å; D610-E613 WeakPolarHBondContact OD1-CB 3.37Å; D610-E613 PolarHBondContact OD1-N 3.45Å; H611-E613 VanDerWaalsContact C-N 3.32Å; H611-E613 PolarHBondContact O-N 3.01Å; E613-L615 VanDerWaalsContact C-N 3.3Å; E613-L615 PolarHBondContact O-N 3.36Å; E613-E616 PolarHBondContact O-N 3.22Å; E613-R617 HydrophobicContact CG-CG 4.18Å; E613-R617 WeakPolarHBondContact O-CB 3.16Å; E613-R617 PolarHBondContact O-N 2.79Å; E613-R617 VanDerWaalsContact OE1-CD 3.23Å; E613-R617 WeakPolarHBondContact OE1-CD 3.5Å; E613-R617 IonicContact OE1-CZ 3.92Å; E613-R617 IonicContact OE1-NH1 3.19Å; E613-R617 PolarHBondContact OE1-NH1 2.92Å; E613-Y677 WeakPolarHBondContact CA-OH 3.17Å; E613-Y677 HydrophobicContact CG-CE1 3.93Å
614V98.4Very high97.4Very high0 Ų037.5 Ų37.50%019%0.193CC..Hα-helixtrans-58.5-46175174.60000110.4L491 V501 V504 I609 D610 H611 Q612 C618L491-V614 HydrophobicContact CD1-CB 4.36Å; L491-V614 HydrophobicContact CD1-CG1 4.25Å; L491-V614 HydrophobicContact CD1-CG2 4.21Å; V501-V614 HydrophobicContact CB-CG1 4.31Å; V501-V614 HydrophobicContact CG1-CG1 3.93Å; V501-V614 HydrophobicContact CG2-CG1 4.35Å; V501-V614 HydrophobicContact CG2-CG2 4.43Å; V504-V614 HydrophobicContact CB-CB 4.27Å; V504-V614 HydrophobicContact CB-CG1 3.91Å; V504-V614 HydrophobicContact CG1-CB 3.82Å; V504-V614 HydrophobicContact CG1-CG1 3.65Å; V504-V614 HydrophobicContact CG2-CB 4.43Å; V504-V614 HydrophobicContact CG2-CG1 4.5Å; I609-V614 HydrophobicContact CG2-CG2 3.66Å; D610-V614 PolarHBondContact O-N 3.22Å; H611-V614 PolarHBondContact O-N 2.96Å; Q612-V614 PolarHBondContact O-N 3.35Å; V614-C618 WeakPolarHBondContact O-CB 3.43Å; V614-C618 PolarHBondContact O-N 2.99Å; V614-C618 VanDerWaalsContact O-N 3.16Å; V614-C618 PolarHBondContact O-SG 3.29Å; V614-C618 VanDerWaalsContact O-SG 3.36Å
615L97.9Very high97.6Very high16 Ų1637.3 Ų37.38%0.08419%0.191CC..Hα-helixtrans-64.1-50.4178.3-69-179.9000111.8V504 L505 F508 H611 Q612 E613 L619V504-L615 HydrophobicContact CG1-CD1 4.4Å; V504-L615 HydrophobicContact CG1-CD2 3.45Å; V504-L615 VanDerWaalsContact CG1-CD2 3.45Å; V504-L615 HydrophobicContact CG1-CG 3.51Å; L505-L615 HydrophobicContact CD2-CD2 4.32Å; F508-L615 HydrophobicContact CB-CD2 3.74Å; F508-L615 HydrophobicContact CD2-CD1 4.48Å; F508-L615 HydrophobicContact CD2-CD2 4.04Å; F508-L615 HydrophobicContact CG-CD2 4.11Å; H611-L615 PolarHBondContact O-N 3.46Å; Q612-L615 PolarHBondContact O-N 3.32Å; E613-L615 VanDerWaalsContact C-N 3.3Å; E613-L615 PolarHBondContact O-N 3.36Å; L615-L619 HydrophobicContact CB-CD1 4.38Å; L615-L619 HydrophobicContact CD2-CD1 4.16Å; L615-L619 WeakPolarHBondContact O-CB 3.5Å; L615-L619 WeakPolarHBondContact O-CG 3.39Å; L615-L619 PolarHBondContact O-N 3.42Å
616E98.4Very high97.9Very high10 Ų1031.2 Ų31.25%0.04715%0.154CC..Hα-helixtrans-65.2-47-174.8-67.5-178.7165.400111.3Q612 E613 Y620 R673 Y677Q612-E616 HydrophobicContact CG-CG 4.1Å; Q612-E616 WeakPolarHBondContact CG-OE1 3.16Å; Q612-E616 VanDerWaalsContact NE2-CG 3.34Å; Q612-E616 PolarHBondContact NE2-OE1 3.45Å; Q612-E616 WeakPolarHBondContact O-CB 3.45Å; Q612-E616 VanDerWaalsContact O-CG 3.28Å; Q612-E616 WeakPolarHBondContact O-CG 3.33Å; Q612-E616 PolarHBondContact O-N 3.29Å; E613-E616 PolarHBondContact O-N 3.22Å; E616-Y620 HydrophobicContact CB-CD2 3.8Å; E616-Y620 HydrophobicContact CB-CE2 3.71Å; E616-Y620 HydrophobicContact CB-CG 4.47Å; E616-Y620 HydrophobicContact CG-CD2 4.14Å; E616-Y620 HydrophobicContact CG-CE2 3.51Å; E616-Y620 WeakPolarHBondContact O-CA 3.38Å; E616-Y620 WeakPolarHBondContact O-CB 3.5Å; E616-Y620 PolarHBondContact O-N 3.43Å; E616-R673 IonicContact OE1-NE 3.25Å; E616-R673 PolarHBondContact OE1-NE 2.69Å; E616-R673 IonicContact OE2-CZ 2.91Å; E616-R673 IonicContact OE2-NE 2.71Å; E616-R673 PolarHBondContact OE2-NE 3.4Å; E616-R673 IonicContact OE2-NH2 3.42Å; E616-R673 PolarHBondContact OE2-NH2 3.08Å; E616-Y677 HydrophobicContact CB-CE2 3.67Å; E616-Y677 WeakPolarHBondContact OE2-CE2 3.44Å; E616-Y677 PolarHBondContact OE2-OH 3.39Å
617R98.4Very high98Very high1 Ų128.5 Ų28.50%0.00413%0.132CC..Hα-helixtrans-64.5-51.3179.9-72.7177.260.5178.25.2111.6Q487 E494 E613 A621 Y677Q487-R617 HydrophobicContact CB-CB 4.24Å; Q487-R617 HydrophobicContact CG-CB 4.32Å; Q487-R617 WeakPolarHBondContact CG-O 3.23Å; E494-R617 IonicContact OE1-CZ 2.62Å; E494-R617 IonicContact OE1-NH1 3.81Å; E494-R617 IonicContact OE1-NH2 2.8Å; E494-R617 PolarHBondContact OE1-NH2 2.89Å; E494-R617 IonicContact OE2-CZ 3.33Å; E494-R617 IonicContact OE2-NH1 2.67Å; E494-R617 PolarHBondContact OE2-NH1 2.85Å; E494-R617 IonicContact OE2-NH2 3.57Å; E613-R617 HydrophobicContact CG-CG 4.18Å; E613-R617 WeakPolarHBondContact O-CB 3.16Å; E613-R617 PolarHBondContact O-N 2.79Å; E613-R617 VanDerWaalsContact OE1-CD 3.23Å; E613-R617 WeakPolarHBondContact OE1-CD 3.5Å; E613-R617 IonicContact OE1-CZ 3.92Å; E613-R617 IonicContact OE1-NH1 3.19Å; E613-R617 PolarHBondContact OE1-NH1 2.92Å; R617-A621 WeakPolarHBondContact O-CB 3.36Å; R617-A621 PolarHBondContact O-N 3.48Å; R617-Y677 HydrophobicContact CG-CD1 3.74Å; R617-Y677 HydrophobicContact CG-CD2 3.9Å; R617-Y677 HydrophobicContact CG-CE1 3.7Å; R617-Y677 HydrophobicContact CG-CE2 3.88Å; R617-Y677 HydrophobicContact CG-CG 3.85Å
618C98.4Very high98.1Very high0 Ų026.3 Ų26.30%013%0.126CC..Hα-helixtrans-64.4-48.9-178.6-69.10000111.9Y484 L505 V614 L622Y484-C618 HydrophobicContact CD2-CB 3.76Å; Y484-C618 WeakPolarHBondContact CD2-O 3.42Å; Y484-C618 HydrophobicContact CE2-CB 3.86Å; L505-C618 HydrophobicContact CD2-CB 4.19Å; V614-C618 WeakPolarHBondContact O-CB 3.43Å; V614-C618 PolarHBondContact O-N 2.99Å; V614-C618 VanDerWaalsContact O-N 3.16Å; V614-C618 PolarHBondContact O-SG 3.29Å; V614-C618 VanDerWaalsContact O-SG 3.36Å; C618-L622 WeakPolarHBondContact O-CB 3.19Å; C618-L622 PolarHBondContact O-N 3.02Å
619L98.6Very high98.2Very high0 Ų018.8 Ų18.80%09%0.091CC..Hα-helixtrans-78.2-39.8-174.4-55.5-179000112.4L505 F508 F510 L615 L622 I623 W651 Y661L505-L619 HydrophobicContact CD2-CD2 4.28Å; F508-L619 HydrophobicContact CD1-CD1 4.26Å; F508-L619 HydrophobicContact CD2-CD1 3.87Å; F508-L619 HydrophobicContact CE1-CD1 3.93Å; F508-L619 HydrophobicContact CE1-CD2 4.48Å; F508-L619 HydrophobicContact CE2-CD1 3.51Å; F508-L619 HydrophobicContact CG-CD1 4.22Å; F508-L619 HydrophobicContact CZ-CD1 3.53Å; F510-L619 HydrophobicContact CE2-CD2 3.93Å; F510-L619 HydrophobicContact CZ-CD2 4.33Å; L615-L619 HydrophobicContact CB-CD1 4.38Å; L615-L619 HydrophobicContact CD2-CD1 4.16Å; L615-L619 WeakPolarHBondContact O-CB 3.5Å; L615-L619 WeakPolarHBondContact O-CG 3.39Å; L615-L619 PolarHBondContact O-N 3.42Å; L619-L622 WeakPolarHBondContact O-CB 3.36Å; L619-L622 PolarHBondContact O-N 3.4Å; L619-I623 WeakPolarHBondContact O-CB 3.3Å; L619-I623 WeakPolarHBondContact O-CD1 3.1Å; L619-I623 WeakPolarHBondContact O-CG1 3.26Å; L619-I623 PolarHBondContact O-N 3.37Å; L619-W651 HydrophobicContact CD2-CH2 4.1Å; L619-W651 HydrophobicContact CD2-CZ3 3.89Å; L619-Y661 HydrophobicContact CD1-CE1 4.03Å
620Y98.7Very high98.1Very high7 Ų718.9 Ų18.93%0.0279%0.091CC..Hα-helixtrans-75.7-32.1-176.3-57.6-13.1000112.1E616 L622 I623 N624 Y661 V665 V670 R673E616-Y620 HydrophobicContact CB-CD2 3.8Å; E616-Y620 HydrophobicContact CB-CE2 3.71Å; E616-Y620 HydrophobicContact CB-CG 4.47Å; E616-Y620 HydrophobicContact CG-CD2 4.14Å; E616-Y620 HydrophobicContact CG-CE2 3.51Å; E616-Y620 WeakPolarHBondContact O-CA 3.38Å; E616-Y620 WeakPolarHBondContact O-CB 3.5Å; E616-Y620 PolarHBondContact O-N 3.43Å; Y620-L622 VanDerWaalsContact C-N 3.34Å; Y620-I623 HydrophobicContact CD1-CD1 4.14Å; Y620-I623 PolarHBondContact O-N 3.19Å; Y620-N624 VanDerWaalsContact O-CB 3.25Å; Y620-N624 WeakPolarHBondContact O-CB 3.44Å; Y620-N624 PolarHBondContact O-N 2.97Å; Y620-Y661 HydrophobicContact CE1-CE1 4.37Å; Y620-V665 WeakPolarHBondContact OH-CG1 3.47Å; Y620-V670 HydrophobicContact CD1-CG1 4.42Å; Y620-V670 HydrophobicContact CD1-CG2 4.48Å; Y620-V670 HydrophobicContact CD2-CG1 4.48Å; Y620-V670 HydrophobicContact CE1-CG2 4.28Å; Y620-V670 HydrophobicContact CG-CG1 4.18Å; Y620-R673 HydrophobicContact CD2-CB 3.85Å; Y620-R673 HydrophobicContact CE2-CB 3.73Å; Y620-R673 HydrophobicContact CE2-CG 4.05Å
621A98.6Very high98.1Very high2 Ų218.1 Ų18.12%0.0179%0.085CC..Hα-helixtrans-62.9-42.8171.500000111.4P483 Q487 R617 N624 E625 L687P483-A621 HydrophobicContact CB-CB 4.11Å; Q487-A621 HydrophobicContact CG-CB 3.7Å; R617-A621 WeakPolarHBondContact O-CB 3.36Å; R617-A621 PolarHBondContact O-N 3.48Å; A621-N624 PolarHBondContact O-N 3.07Å; A621-E625 PolarHBondContact O-N 2.83Å; A621-E625 VanDerWaalsContact O-N 3.14Å; A621-L687 HydrophobicContact CB-CD2 4.05Å
622L98.6Very high98Very high2 Ų217.8 Ų17.81%0.019%0.086CC..Hα-helixtrans-61.2-46.7172.7-179.9158.1000112.1M480 Y484 C618 L619 Y620 E625 G626 Y645 W651 P658M480-L622 HydrophobicContact CB-CG 4.42Å; M480-L622 HydrophobicContact CE-CD2 3.51Å; M480-L622 HydrophobicContact CE-CG 4.14Å; M480-L622 WeakPolarHBondContact CE-O 3.44Å; Y484-L622 HydrophobicContact CD2-CD1 4Å; Y484-L622 HydrophobicContact CG-CD1 4.07Å; C618-L622 WeakPolarHBondContact O-CB 3.19Å; C618-L622 PolarHBondContact O-N 3.02Å; L619-L622 WeakPolarHBondContact O-CB 3.36Å; L619-L622 PolarHBondContact O-N 3.4Å; Y620-L622 VanDerWaalsContact C-N 3.34Å; L622-E625 PolarHBondContact O-N 2.52Å; L622-G626 PolarHBondContact O-N 3.32Å; L622-Y645 HydrophobicContact CD1-CD1 4.25Å; L622-Y645 HydrophobicContact CD1-CE1 3.41Å; L622-Y645 VanDerWaalsContact CD1-CE1 3.41Å; L622-Y645 HydrophobicContact CD2-CD1 4.34Å; L622-Y645 HydrophobicContact CD2-CE1 3.97Å; L622-Y645 HydrophobicContact CG-CE1 3.96Å; L622-W651 HydrophobicContact CD2-CZ3 4.3Å; L622-P658 HydrophobicContact CD2-CB 3.53Å; L622-P658 HydrophobicContact CD2-CG 4.05Å
623I98.8Very high97.8Very high0 Ų015.2 Ų15.20%08%0.084CC..Hα-helixtrans-63.6-42.2179.3-76.7164.1000111L619 Y620 E625 G626 F627 P658 M659 Y661 A662 V670L619-I623 WeakPolarHBondContact O-CB 3.3Å; L619-I623 WeakPolarHBondContact O-CD1 3.1Å; L619-I623 WeakPolarHBondContact O-CG1 3.26Å; L619-I623 PolarHBondContact O-N 3.37Å; Y620-I623 HydrophobicContact CD1-CD1 4.14Å; Y620-I623 PolarHBondContact O-N 3.19Å; I623-E625 VanDerWaalsContact C-N 3.31Å; I623-E625 PolarHBondContact O-N 3.25Å; I623-G626 WeakPolarHBondContact O-CA 3.18Å; I623-G626 PolarHBondContact O-N 2.71Å; I623-F627 HydrophobicContact CG2-CD2 3.77Å; I623-F627 HydrophobicContact CG2-CE2 3.46Å; I623-F627 VanDerWaalsContact CG2-CE2 3.46Å; I623-F627 VanDerWaalsContact O-CD2 3.23Å; I623-F627 WeakPolarHBondContact O-CD2 3.31Å; I623-F627 PolarHBondContact O-N 2.96Å; I623-P658 HydrophobicContact CG1-CB 3.74Å; I623-P658 WeakPolarHBondContact CG1-O 3.35Å; I623-M659 HydrophobicContact CB-CE 4.37Å; I623-M659 HydrophobicContact CG1-CE 4.33Å; I623-M659 HydrophobicContact CG2-CE 4.25Å; I623-Y661 HydrophobicContact CD1-CD1 4Å; I623-A662 HydrophobicContact CD1-CB 4.22Å; I623-A662 HydrophobicContact CG2-CB 3.64Å; I623-V670 HydrophobicContact CG2-CG1 4.33Å
624N98.8Very high97.7Very high7 Ų715.3 Ų15.34%0.0379%0.085CC..Hα-helixtrans-59.4-43.7177.4-168.541000111.2Y620 A621 G626 F627 Q628 L674 G686 Q688 P689 C690Y620-N624 VanDerWaalsContact O-CB 3.25Å; Y620-N624 WeakPolarHBondContact O-CB 3.44Å; Y620-N624 PolarHBondContact O-N 2.97Å; A621-N624 PolarHBondContact O-N 3.07Å; N624-G626 VanDerWaalsContact C-N 3.31Å; N624-G626 PolarHBondContact O-N 2.82Å; N624-F627 PolarHBondContact O-N 3.18Å; N624-Q628 PolarHBondContact O-N 3.44Å; N624-L674 HydrophobicContact CB-CD1 3.84Å; N624-L674 HydrophobicContact CB-CD2 4.33Å; N624-G686 PolarHBondContact ND2-O 3.24Å; N624-Q688 PolarHBondContact ND2-O 2.93Å; N624-P689 WeakPolarHBondContact OD1-CA 3.49Å; N624-C690 PolarHBondContact OD1-N 3.12Å
625E98.7Very high97.5Very high36 Ų3615.4 Ų15.417%0.1689%0.086CC..Hα-helixtrans-63.9-36.1174.1-168.159.1-140.600112.1R479 M480 P483 A621 L622 I623 F627 Q628 I629R479-E625 HydrophobicContact CG-CG 4.14Å; R479-E625 IonicContact CZ-OE1 3.35Å; R479-E625 IonicContact NE-OE1 2.74Å; R479-E625 PolarHBondContact NE-OE1 2.92Å; R479-E625 IonicContact NH2-OE1 2.73Å; R479-E625 PolarHBondContact NH2-OE1 2.89Å; M480-E625 HydrophobicContact CB-CG 4.45Å; M480-E625 HydrophobicContact CG-CB 4.12Å; M480-E625 HydrophobicContact CG-CG 3.99Å; P483-E625 HydrophobicContact CG-CB 3.87Å; P483-E625 HydrophobicContact CG-CG 4.17Å; A621-E625 PolarHBondContact O-N 2.83Å; A621-E625 VanDerWaalsContact O-N 3.14Å; L622-E625 PolarHBondContact O-N 2.52Å; I623-E625 VanDerWaalsContact C-N 3.31Å; I623-E625 PolarHBondContact O-N 3.25Å; E625-F627 PolarHBondContact O-N 3.43Å; E625-Q628 WeakPolarHBondContact O-CB 3.35Å; E625-Q628 PolarHBondContact O-N 2.82Å; E625-I629 HydrophobicContact CG-CD1 4.37Å; E625-I629 WeakPolarHBondContact O-CG1 3.21Å; E625-I629 PolarHBondContact O-N 2.93Å
626G98.4Very high97.3Very high0 Ų016 Ų160%09%0.092CC..Hα-helixtrans-60.5-42.417200000112.9M480 L622 I623 N624 Q628 I629 L630 I641M480-G626 VanDerWaalsContact SD-CA 3.59Å; L622-G626 PolarHBondContact O-N 3.32Å; I623-G626 WeakPolarHBondContact O-CA 3.18Å; I623-G626 PolarHBondContact O-N 2.71Å; N624-G626 VanDerWaalsContact C-N 3.31Å; N624-G626 PolarHBondContact O-N 2.82Å; G626-Q628 VanDerWaalsContact C-N 3.34Å; G626-I629 WeakPolarHBondContact O-CB 3.47Å; G626-I629 PolarHBondContact O-N 3.34Å; G626-L630 WeakPolarHBondContact O-CG 3.4Å; G626-L630 PolarHBondContact O-N 2.95Å; G626-L630 VanDerWaalsContact O-N 3.1Å; G626-I641 VanDerWaalsContact O-CD1 3.24Å; G626-I641 WeakPolarHBondContact O-CD1 3.34Å
627F98.5Very high97.1Very high0 Ų015.5 Ų15.50%09%0.09CC..Hα-helixtrans-66.9-35.3172.9-75.4-74000112.5I623 N624 E625 L630 Q631 A662 L667 C690 L692 L693 L696 W707I623-F627 HydrophobicContact CG2-CD2 3.77Å; I623-F627 HydrophobicContact CG2-CE2 3.46Å; I623-F627 VanDerWaalsContact CG2-CE2 3.46Å; I623-F627 VanDerWaalsContact O-CD2 3.23Å; I623-F627 WeakPolarHBondContact O-CD2 3.31Å; I623-F627 PolarHBondContact O-N 2.96Å; N624-F627 PolarHBondContact O-N 3.18Å; E625-F627 PolarHBondContact O-N 3.43Å; F627-L630 HydrophobicContact CD1-CD1 4.4Å; F627-L630 PolarHBondContact O-N 2.78Å; F627-Q631 WeakPolarHBondContact O-CB 3.46Å; F627-Q631 PolarHBondContact O-N 2.75Å; F627-A662 HydrophobicContact CE2-CB 4.04Å; F627-A662 HydrophobicContact CZ-CB 4.23Å; F627-L667 HydrophobicContact CE2-CD2 4.39Å; F627-L667 HydrophobicContact CZ-CD2 3.76Å; F627-C690 WeakPolarHBondContact CB-SG 3.24Å; F627-L692 HydrophobicContact CD1-CD2 4.33Å; F627-L692 HydrophobicContact CD1-CG 4.43Å; F627-L693 HydrophobicContact CB-CB 4.16Å; F627-L693 HydrophobicContact CD1-CB 4.34Å; F627-L693 HydrophobicContact CD2-CB 4.02Å; F627-L693 HydrophobicContact CD2-CD1 3.98Å; F627-L693 HydrophobicContact CD2-CD2 4.13Å; F627-L693 HydrophobicContact CD2-CG 4.24Å; F627-L693 HydrophobicContact CE1-CD1 4.4Å; F627-L693 HydrophobicContact CE2-CD1 3.64Å; F627-L693 HydrophobicContact CE2-CD2 4.42Å; F627-L693 HydrophobicContact CE2-CG 4.39Å; F627-L693 HydrophobicContact CG-CB 3.94Å; F627-L693 HydrophobicContact CZ-CD1 3.88Å; F627-L696 HydrophobicContact CD1-CD1 4.2Å; F627-L696 HydrophobicContact CE1-CD1 3.74Å; F627-W707 AromaticContact CE1-CE3 3.78Å; F627-W707 HydrophobicContact CE1-CE3 3.78Å; F627-W707 AromaticContact CE1-CH2 3.94Å; F627-W707 HydrophobicContact CE1-CH2 3.94Å; F627-W707 AromaticContact CE1-CZ3 3.42Å; F627-W707 HydrophobicContact CE1-CZ3 3.42Å; F627-W707 VanDerWaalsContact CE1-CZ3 3.42Å; F627-W707 HydrophobicContact CZ-CE3 4.29Å; F627-W707 AromaticContact CZ-CH2 3.59Å; F627-W707 HydrophobicContact CZ-CH2 3.59Å; F627-W707 HydrophobicContact CZ-CZ2 4.44Å; F627-W707 AromaticContact CZ-CZ3 3.48Å; F627-W707 HydrophobicContact CZ-CZ3 3.48Å; F627-W707 VanDerWaalsContact CZ-CZ3 3.48Å
628Q98.1Very high97Very high48 Ų4815.4 Ų15.422%0.2249%0.09CC..Hα-helixtrans-63.9-41.1173.8-172.862.550.400111.3N624 E625 G626 L630 Q631 D632 C690N624-Q628 PolarHBondContact O-N 3.44Å; E625-Q628 WeakPolarHBondContact O-CB 3.35Å; E625-Q628 PolarHBondContact O-N 2.82Å; G626-Q628 VanDerWaalsContact C-N 3.34Å; Q628-L630 VanDerWaalsContact C-N 3.34Å; Q628-L630 PolarHBondContact O-N 3.36Å; Q628-Q631 VanDerWaalsContact NE2-NE2 3.2Å; Q628-Q631 CarbonylContact O-C 3.41Å; Q628-Q631 WeakPolarHBondContact O-CB 3.27Å; Q628-Q631 PolarHBondContact O-N 3.35Å; Q628-Q631 VanDerWaalsContact O-N 3.13Å; Q628-D632 PolarHBondContact NE2-OD1 2.84Å; Q628-D632 WeakPolarHBondContact O-CB 3.37Å; Q628-D632 PolarHBondContact O-N 3.39Å; Q628-C690 HydrophobicContact CB-CB 4.44Å
629I97.9Very high97Very high0 Ų016.5 Ų16.50%010%0.095CC..Hα-helixtrans-60.4-40.7174.3-79.4161.9000112.4V476 R479 M480 E625 G626 D632 G633 I634 A635 I641V476-I629 HydrophobicContact CB-CD1 4.48Å; V476-I629 HydrophobicContact CG1-CD1 4.23Å; V476-I629 HydrophobicContact CG1-CG2 4.34Å; V476-I629 HydrophobicContact CG2-CG2 3.83Å; R479-I629 HydrophobicContact CB-CD1 4.31Å; R479-I629 HydrophobicContact CG-CD1 4.07Å; R479-I629 HydrophobicContact CG-CG1 4.44Å; M480-I629 HydrophobicContact CG-CD1 3.3Å; M480-I629 HydrophobicContact SD-CD1 3.79Å; E625-I629 HydrophobicContact CG-CD1 4.37Å; E625-I629 WeakPolarHBondContact O-CG1 3.21Å; E625-I629 PolarHBondContact O-N 2.93Å; G626-I629 WeakPolarHBondContact O-CB 3.47Å; G626-I629 PolarHBondContact O-N 3.34Å; I629-D632 PolarHBondContact O-N 3.23Å; I629-G633 PolarHBondContact O-N 2.79Å; I629-I634 HydrophobicContact CG2-CB 4.01Å; I629-I634 HydrophobicContact CG2-CG2 4.23Å; I629-I634 PolarHBondContact O-N 3.2Å; I629-A635 HydrophobicContact CG2-CB 3.75Å; I629-I641 HydrophobicContact CB-CD1 4.38Å; I629-I641 HydrophobicContact CG2-CD1 3.9Å; I629-I641 HydrophobicContact CG2-CG1 4.4Å
630L96.6Very high96.9Very high3 Ų317 Ų172%0.01610%0.097CC..Hα-helixtrans-65.9-40.9173.7-66.5172.9000111.3G626 F627 Q628 D632 G633 A635 G637 P638 I641 M659 L692 I711G626-L630 WeakPolarHBondContact O-CG 3.4Å; G626-L630 PolarHBondContact O-N 2.95Å; G626-L630 VanDerWaalsContact O-N 3.1Å; F627-L630 HydrophobicContact CD1-CD1 4.4Å; F627-L630 PolarHBondContact O-N 2.78Å; Q628-L630 VanDerWaalsContact C-N 3.34Å; Q628-L630 PolarHBondContact O-N 3.36Å; L630-D632 VanDerWaalsContact C-N 3.31Å; L630-D632 PolarHBondContact O-N 3.47Å; L630-G633 PolarHBondContact O-N 2.84Å; L630-A635 HydrophobicContact CD2-CB 4.12Å; L630-G637 VanDerWaalsContact CD2-C 3.42Å; L630-P638 HydrophobicContact CD1-CB 4.28Å; L630-I641 HydrophobicContact CD1-CD1 4.18Å; L630-I641 HydrophobicContact CD2-CD1 3.79Å; L630-I641 HydrophobicContact CG-CD1 3.64Å; L630-M659 HydrophobicContact CD1-SD 4.14Å; L630-L692 HydrophobicContact CB-CD2 3.64Å; L630-I711 HydrophobicContact CB-CD1 4.31Å; L630-I711 HydrophobicContact CD1-CD1 4.15Å; L630-I711 HydrophobicContact CD2-CD1 4.36Å
631Q95.5Very high96.9Very high60 Ų6016.6 Ų16.628%0.2810%0.096SC..Hα-helixtrans-64.7-35.8177.5-170.9-175.9-75.500112.4F627 Q628 G633 S691 L692F627-Q631 WeakPolarHBondContact O-CB 3.46Å; F627-Q631 PolarHBondContact O-N 2.75Å; Q628-Q631 VanDerWaalsContact NE2-NE2 3.2Å; Q628-Q631 CarbonylContact O-C 3.41Å; Q628-Q631 WeakPolarHBondContact O-CB 3.27Å; Q628-Q631 PolarHBondContact O-N 3.35Å; Q628-Q631 VanDerWaalsContact O-N 3.13Å; Q631-G633 PolarHBondContact O-N 2.91Å; Q631-S691 VanDerWaalsContact CD-OG 3.29Å; Q631-S691 PolarHBondContact OE1-OG 3.28Å; Q631-L692 HydrophobicContact CB-CB 4.09Å; Q631-L692 HydrophobicContact CB-CD2 4.37Å; Q631-L692 HydrophobicContact CG-CB 4.34Å
632D94.6Very high96.9Very high74 Ų7416.5 Ų16.540%0.39610%0.095SC..THydrogen-bonded Turntrans-78.6-8.1178-64-15.2000112.5R479 Q628 I629 L630 I634R479-D632 IonicContact CZ-OD2 3.64Å; R479-D632 VanDerWaalsContact CZ-OD2 3.29Å; R479-D632 IonicContact NH1-OD2 2.73Å; R479-D632 PolarHBondContact NH1-OD2 3.37Å; R479-D632 IonicContact NH2-OD2 3.56Å; R479-D632 PolarHBondContact NH2-OD2 2.88Å; Q628-D632 PolarHBondContact NE2-OD1 2.84Å; Q628-D632 WeakPolarHBondContact O-CB 3.37Å; Q628-D632 PolarHBondContact O-N 3.39Å; I629-D632 PolarHBondContact O-N 3.23Å; L630-D632 VanDerWaalsContact C-N 3.31Å; L630-D632 PolarHBondContact O-N 3.47Å; D632-I634 VanDerWaalsContact C-N 3.27Å; D632-I634 HydrophobicContact CB-CG1 3.9Å; D632-I634 PolarHBondContact O-N 3.45Å
633G93.6Very high96.9Very high36 Ų3616.4 Ų16.437%0.37110%0.095SC..THydrogen-bonded Turntrans71.319.5-177.800000114.1I629 L630 Q631I629-G633 PolarHBondContact O-N 2.79Å; L630-G633 PolarHBondContact O-N 2.84Å; Q631-G633 PolarHBondContact O-N 2.91Å
634I95.8Very high96.9Very high20 Ų2016.4 Ų16.410%0.10310%0.095CC..SBendtrans-75.4-36.9179.1-62.2-60.5000111V469 G470 C472 V476 I629 D632V469-I634 CarbonylContact C-O 3.59Å; V469-I634 WeakPolarHBondContact CA-O 3.43Å; G470-I634 PolarHBondContact N-O 3.48Å; C472-I634 HydrophobicContact CB-CD1 3.91Å; C472-I634 HydrophobicContact CB-CG1 4.39Å; V476-I634 HydrophobicContact CG2-CG2 3.82Å; I629-I634 HydrophobicContact CG2-CB 4.01Å; I629-I634 HydrophobicContact CG2-CG2 4.23Å; I629-I634 PolarHBondContact O-N 3.2Å; D632-I634 VanDerWaalsContact C-N 3.27Å; D632-I634 HydrophobicContact CB-CG1 3.9Å; D632-I634 PolarHBondContact O-N 3.45Å
635A95.6Very high96.9Very high2 Ų216.2 Ų16.22%0.0179%0.093CC..SBendtrans-109.5144.1168.400000110V476 I629 L630 D640 I641V476-A635 HydrophobicContact CG2-CB 4.22Å; I629-A635 HydrophobicContact CG2-CB 3.75Å; L630-A635 HydrophobicContact CD2-CB 4.12Å; A635-D640 HydrophobicContact CB-CB 4.31Å; A635-I641 HydrophobicContact CB-CD1 4.21Å; A635-I641 HydrophobicContact CB-CG1 3.83Å
636A93.1Very high96.8Very high27 Ų2714.9 Ų14.922%0.2239%0.088CC..SBendtrans-79.6-21.7-175.400000113D640A636-D640 WeakPolarHBondContact CB-OD2 3.43Å; A636-D640 PolarHBondContact N-OD2 2.72Å; A636-D640 VanDerWaalsContact N-OD2 3.09Å
637G94.3Very high96.7Very high0 Ų015.3 Ų15.30%09%0.09CC..SBendtrans-164.5169.9175.100000113.5L630 E639 D640L630-G637 VanDerWaalsContact CD2-C 3.42Å; G637-E639 PolarHBondContact O-N 3.35Å; G637-D640 PolarHBondContact N-OD2 3.08Å; G637-D640 WeakPolarHBondContact O-CB 3.47Å; G637-D640 PolarHBondContact O-N 3.19Å
638P96.7Very high96.5Very high0 Ų016 Ų160%010%0.097CC..Hα-helixtrans-62.8-28.4-178.626.5-35.2000112.9L630 D640 I641 D642 M659 I704 W707L630-P638 HydrophobicContact CD1-CB 4.28Å; P638-D640 VanDerWaalsContact C-N 3.27Å; P638-D640 PolarHBondContact O-N 3.24Å; P638-I641 PolarHBondContact O-N 3.09Å; P638-D642 PolarHBondContact O-N 3.4Å; P638-M659 HydrophobicContact CB-CB 3.69Å; P638-M659 HydrophobicContact CB-CG 3.9Å; P638-I704 HydrophobicContact CB-CD1 4.03Å; P638-I704 HydrophobicContact CB-CG1 4.05Å; P638-I704 HydrophobicContact CG-CD1 4.26Å; P638-I704 HydrophobicContact CG-CG1 3.77Å; P638-W707 HydrophobicContact CB-CE3 4.03Å; P638-W707 HydrophobicContact CB-CZ3 4.32Å; P638-W707 HydrophobicContact CG-CE3 4.22Å
639E97Very high96.3Very high23 Ų2315.7 Ų15.711%0.1079%0.094CC..Hα-helixtrans-64.3-32.7178.1-56.887.4169.400112.4Y269 A273 G637 D642 V643 R708Y269-E639 HydrophobicContact CE2-CG 4.24Å; A273-E639 HydrophobicContact CB-CB 3.83Å; A273-E639 HydrophobicContact CB-CG 4.12Å; G637-E639 PolarHBondContact O-N 3.35Å; E639-D642 PolarHBondContact O-N 3.48Å; E639-V643 WeakPolarHBondContact O-CB 3.44Å; E639-V643 VanDerWaalsContact O-CG2 3.26Å; E639-V643 WeakPolarHBondContact O-CG2 3.21Å; E639-V643 PolarHBondContact O-N 3.21Å; E639-R708 IonicContact OE1-NE 3.78Å; E639-R708 IonicContact OE2-CZ 3.02Å; E639-R708 IonicContact OE2-NE 3.66Å; E639-R708 PolarHBondContact OE2-NE 3.38Å; E639-R708 VanDerWaalsContact OE2-NE 3.1Å; E639-R708 IonicContact OE2-NH2 3.52Å; E639-R708 PolarHBondContact OE2-NH2 3.13Å
640D97.3Very high96.1Very high9 Ų917.3 Ų17.35%0.04811%0.11CC..Hα-helixtrans-64.7-46.4178.6-61.8-18.2000110V467 A635 A636 G637 P638 V643 I644V467-D640 HydrophobicContact CG1-CB 3.62Å; A635-D640 HydrophobicContact CB-CB 4.31Å; A636-D640 WeakPolarHBondContact CB-OD2 3.43Å; A636-D640 PolarHBondContact N-OD2 2.72Å; A636-D640 VanDerWaalsContact N-OD2 3.09Å; G637-D640 PolarHBondContact N-OD2 3.08Å; G637-D640 WeakPolarHBondContact O-CB 3.47Å; G637-D640 PolarHBondContact O-N 3.19Å; P638-D640 VanDerWaalsContact C-N 3.27Å; P638-D640 PolarHBondContact O-N 3.24Å; D640-V643 PolarHBondContact O-N 3.33Å; D640-I644 WeakPolarHBondContact O-CD1 3.5Å; D640-I644 VanDerWaalsContact O-CG1 3.27Å; D640-I644 WeakPolarHBondContact O-CG1 3.43Å; D640-I644 PolarHBondContact O-N 2.9Å
641I98.5Very high96.1Very high0 Ų017.3 Ų17.30%011%0.11CC..Hα-helixtrans-62.6-45.6176.6-64.3179.6000110.8V476 M480 G626 I629 L630 A635 P638 V643 I644 Y645 P658 M659V476-I641 HydrophobicContact CG1-CG1 3.97Å; M480-I641 HydrophobicContact CE-CG2 3.56Å; M480-I641 HydrophobicContact SD-CG2 3.53Å; M480-I641 VanDerWaalsContact SD-CG2 3.53Å; G626-I641 VanDerWaalsContact O-CD1 3.24Å; G626-I641 WeakPolarHBondContact O-CD1 3.34Å; I629-I641 HydrophobicContact CB-CD1 4.38Å; I629-I641 HydrophobicContact CG2-CD1 3.9Å; I629-I641 HydrophobicContact CG2-CG1 4.4Å; L630-I641 HydrophobicContact CD1-CD1 4.18Å; L630-I641 HydrophobicContact CD2-CD1 3.79Å; L630-I641 HydrophobicContact CG-CD1 3.64Å; A635-I641 HydrophobicContact CB-CD1 4.21Å; A635-I641 HydrophobicContact CB-CG1 3.83Å; P638-I641 PolarHBondContact O-N 3.09Å; I641-V643 VanDerWaalsContact C-N 3.34Å; I641-V643 PolarHBondContact O-N 3.14Å; I641-I644 WeakPolarHBondContact O-CB 3.46Å; I641-I644 PolarHBondContact O-N 3.42Å; I641-Y645 HydrophobicContact CG2-CD2 4.24Å; I641-Y645 PolarHBondContact O-N 3.28Å; I641-P658 HydrophobicContact CG2-CG 4.02Å; I641-M659 HydrophobicContact CB-CG 3.94Å; I641-M659 HydrophobicContact CD1-CG 4.36Å; I641-M659 HydrophobicContact CD1-SD 4.14Å; I641-M659 HydrophobicContact CG2-CE 4.19Å; I641-M659 HydrophobicContact CG2-CG 3.85Å; I641-M659 HydrophobicContact CG2-SD 4.34Å
642D98.6Very high96.2Very high0 Ų014.8 Ų14.80%010%0.099CC..Hα-helixtrans-63.3-40.7-178.9-76-16.3000112.2Y269 P638 E639 Y645 V646 G657 P658 M659 F660Y269-D642 HydrophobicContact CE1-CB 4.14Å; Y269-D642 WeakPolarHBondContact CE1-OD2 3.28Å; Y269-D642 PolarHBondContact OH-OD2 3.14Å; P638-D642 PolarHBondContact O-N 3.4Å; E639-D642 PolarHBondContact O-N 3.48Å; D642-Y645 PolarHBondContact O-N 3.01Å; D642-V646 WeakPolarHBondContact O-CB 3.26Å; D642-V646 WeakPolarHBondContact O-CG2 3.41Å; D642-V646 PolarHBondContact O-N 3.25Å; D642-G657 VanDerWaalsContact OD1-CA 3.24Å; D642-G657 WeakPolarHBondContact OD1-CA 3.39Å; D642-P658 WeakPolarHBondContact OD1-CD 3.48Å; D642-M659 WeakPolarHBondContact OD1-CA 3.3Å; D642-M659 VanDerWaalsContact OD1-CB 3.3Å; D642-M659 WeakPolarHBondContact OD1-CB 3.5Å; D642-M659 PolarHBondContact OD1-N 3.15Å; D642-F660 PolarHBondContact OD2-N 2.97Å; D642-F660 VanDerWaalsContact OD2-N 3.07Å
643V98.4Very high96.2Very high0 Ų017 Ų170%010%0.102CC..Hα-helixtrans-65.4-41.5175.3170.30000111.6Y270 A273 Q274 V277 V465 V467 E639 D640 I641 Y645 L647Y270-V643 HydrophobicContact CE2-CG2 4.24Å; A273-V643 HydrophobicContact CB-CG2 3.99Å; Q274-V643 HydrophobicContact CB-CG2 4.35Å; V277-V643 HydrophobicContact CG1-CB 3.88Å; V277-V643 HydrophobicContact CG1-CG1 4.1Å; V277-V643 HydrophobicContact CG1-CG2 3.76Å; V277-V643 HydrophobicContact CG2-CG1 4.33Å; V465-V643 HydrophobicContact CG1-CG1 3.61Å; V467-V643 HydrophobicContact CG2-CG1 3.95Å; E639-V643 WeakPolarHBondContact O-CB 3.44Å; E639-V643 VanDerWaalsContact O-CG2 3.26Å; E639-V643 WeakPolarHBondContact O-CG2 3.21Å; E639-V643 PolarHBondContact O-N 3.21Å; D640-V643 PolarHBondContact O-N 3.33Å; I641-V643 VanDerWaalsContact C-N 3.34Å; I641-V643 PolarHBondContact O-N 3.14Å; V643-Y645 VanDerWaalsContact C-N 3.34Å; V643-Y645 PolarHBondContact O-N 3.38Å; V643-L647 HydrophobicContact CG1-CD1 3.79Å; V643-L647 HydrophobicContact CG1-CG 4.43Å; V643-L647 WeakPolarHBondContact O-CB 3.46Å; V643-L647 WeakPolarHBondContact O-CG 3.32Å; V643-L647 PolarHBondContact O-N 3.14Å
644I98.4Very high96.3Very high0 Ų016 Ų160%09%0.088CC..Hα-helixtrans-58-48.4174.5-74.6162.4000110.3L438 E440 V467 V469 V476 D640 I641 L647 G648 Y649L438-I644 HydrophobicContact CD1-CB 4.49Å; L438-I644 HydrophobicContact CD1-CG1 3.93Å; L438-I644 HydrophobicContact CD2-CB 4.19Å; L438-I644 HydrophobicContact CD2-CG1 4.27Å; L438-I644 HydrophobicContact CD2-CG2 3.95Å; L438-I644 WeakPolarHBondContact CD2-O 3.44Å; E440-I644 HydrophobicContact CG-CD1 4.28Å; E440-I644 HydrophobicContact CG-CG1 4.34Å; V467-I644 HydrophobicContact CB-CD1 4.17Å; V467-I644 HydrophobicContact CB-CG1 4.14Å; V467-I644 HydrophobicContact CG1-CD1 3.83Å; V467-I644 HydrophobicContact CG1-CG1 4.21Å; V467-I644 HydrophobicContact CG2-CG1 4.09Å; V469-I644 HydrophobicContact CG1-CD1 3.86Å; V476-I644 HydrophobicContact CB-CD1 3.8Å; V476-I644 HydrophobicContact CG1-CD1 3.7Å; V476-I644 HydrophobicContact CG1-CG2 4.28Å; V476-I644 HydrophobicContact CG2-CD1 4.23Å; D640-I644 WeakPolarHBondContact O-CD1 3.5Å; D640-I644 VanDerWaalsContact O-CG1 3.27Å; D640-I644 WeakPolarHBondContact O-CG1 3.43Å; D640-I644 PolarHBondContact O-N 2.9Å; I641-I644 WeakPolarHBondContact O-CB 3.46Å; I641-I644 PolarHBondContact O-N 3.42Å; I644-L647 PolarHBondContact O-N 3.39Å; I644-G648 WeakPolarHBondContact O-CA 3.42Å; I644-G648 PolarHBondContact O-N 3.47Å; I644-Y649 HydrophobicContact CG2-CD2 4.31Å; I644-Y649 HydrophobicContact CG2-CE2 3.97Å
645Y98.3Very high96.3Very high2 Ų218.3 Ų18.31%0.00810%0.095CC..Hα-helixtrans-69.6-38-176.1-99.5-90000114.1G477 M480 L481 L622 I641 D642 V643 Y649 G650 W651 P658G477-Y645 PolarHBondContact O-OH 3.36Å; M480-Y645 HydrophobicContact CB-CE2 3.6Å; M480-Y645 WeakPolarHBondContact CB-OH 3.39Å; M480-Y645 HydrophobicContact CE-CD2 3.81Å; M480-Y645 HydrophobicContact CE-CE2 3.37Å; M480-Y645 HydrophobicContact CG-CE2 4.13Å; M480-Y645 HydrophobicContact SD-CD2 4.09Å; M480-Y645 HydrophobicContact SD-CE2 3.46Å; M480-Y645 WeakPolarHBondContact SD-CE2 3.28Å; L481-Y645 PolarHBondContact N-OH 3.44Å; L622-Y645 HydrophobicContact CD1-CD1 4.25Å; L622-Y645 HydrophobicContact CD1-CE1 3.41Å; L622-Y645 VanDerWaalsContact CD1-CE1 3.41Å; L622-Y645 HydrophobicContact CD2-CD1 4.34Å; L622-Y645 HydrophobicContact CD2-CE1 3.97Å; L622-Y645 HydrophobicContact CG-CE1 3.96Å; I641-Y645 HydrophobicContact CG2-CD2 4.24Å; I641-Y645 PolarHBondContact O-N 3.28Å; D642-Y645 PolarHBondContact O-N 3.01Å; V643-Y645 VanDerWaalsContact C-N 3.34Å; V643-Y645 PolarHBondContact O-N 3.38Å; Y645-Y649 HydrophobicContact CD1-CD2 4.32Å; Y645-Y649 HydrophobicContact CD1-CG 4.26Å; Y645-Y649 HydrophobicContact CD2-CD2 4.47Å; Y645-Y649 HydrophobicContact CE1-CD2 4.25Å; Y645-Y649 HydrophobicContact CE1-CG 4.05Å; Y645-Y649 HydrophobicContact CE2-CD2 4.41Å; Y645-Y649 HydrophobicContact CG-CD2 4.42Å; Y645-Y649 CarbonylContact O-C 3.55Å; Y645-Y649 WeakPolarHBondContact O-CA 3.27Å; Y645-Y649 PolarHBondContact O-N 3.14Å; Y645-Y649 VanDerWaalsContact O-N 3.16Å; Y645-G650 PolarHBondContact O-N 3.35Å; Y645-W651 HydrophobicContact CD1-CE3 4.28Å; Y645-W651 WeakPolarHBondContact O-CB 3.4Å; Y645-W651 PolarHBondContact O-N 2.96Å; Y645-P658 HydrophobicContact CD1-CG 4.4Å; Y645-P658 HydrophobicContact CD2-CG 4.08Å; Y645-P658 HydrophobicContact CG-CG 3.8Å
646V97.4Very high96.4Very high8 Ų818.2 Ų18.25%0.0489%0.094CC..Hα-helixtrans-69-41.7176.5167.40000112.1Y270 D642 W651 R653 G656Y270-V646 HydrophobicContact CD2-CB 4.13Å; Y270-V646 HydrophobicContact CD2-CG1 4.11Å; Y270-V646 HydrophobicContact CD2-CG2 3.85Å; Y270-V646 HydrophobicContact CE1-CG1 4.06Å; Y270-V646 HydrophobicContact CE2-CB 3.47Å; Y270-V646 VanDerWaalsContact CE2-CB 3.47Å; Y270-V646 HydrophobicContact CE2-CG1 3.36Å; Y270-V646 HydrophobicContact CE2-CG2 3.74Å; Y270-V646 WeakPolarHBondContact OH-CG1 3.36Å; D642-V646 WeakPolarHBondContact O-CB 3.26Å; D642-V646 WeakPolarHBondContact O-CG2 3.41Å; D642-V646 PolarHBondContact O-N 3.25Å; V646-W651 HydrophobicContact CG2-CB 4.11Å; V646-W651 HydrophobicContact CG2-CG 4.44Å; V646-R653 HydrophobicContact CG1-CG 3.52Å; V646-G656 VanDerWaalsContact CG2-O 3.26Å; V646-G656 WeakPolarHBondContact CG2-O 3.44Å
647L96.5Very high96.6Very high10 Ų1016.9 Ų16.95%0.0528%0.084CC..Hα-helixtrans-90.6-28.5-173.4-65.5-178.5000114.1Y270 M436 Q437 L438 V465 V643 I644Y270-L647 WeakPolarHBondContact OH-CD2 3.4Å; Y270-L647 WeakPolarHBondContact OH-CG 3.48Å; M436-L647 WeakPolarHBondContact CE-O 3.22Å; Q437-L647 HydrophobicContact CB-CD1 4.4Å; Q437-L647 HydrophobicContact CB-CD2 4.3Å; L438-L647 HydrophobicContact CB-CB 3.82Å; V465-L647 HydrophobicContact CB-CD1 3.45Å; V465-L647 VanDerWaalsContact CB-CD1 3.45Å; V465-L647 HydrophobicContact CG1-CD1 3.68Å; V465-L647 HydrophobicContact CG2-CD1 3.63Å; V643-L647 HydrophobicContact CG1-CD1 3.79Å; V643-L647 HydrophobicContact CG1-CG 4.43Å; V643-L647 WeakPolarHBondContact O-CB 3.46Å; V643-L647 WeakPolarHBondContact O-CG 3.32Å; V643-L647 PolarHBondContact O-N 3.14Å; I644-L647 PolarHBondContact O-N 3.39Å
648G94.5Very high96.8Very high13 Ų1316.9 Ų16.913%0.1348%0.084CC..Hα-helixtrans-97.2-37.5-177.700000113.8I644I644-G648 WeakPolarHBondContact O-CA 3.42Å; I644-G648 PolarHBondContact O-N 3.47Å
649Y94.8Very high96.9Very high42 Ų4216.9 Ų16.917%0.1658%0.084CC..SBendtrans-119.16.2-168-60.6-86.5000113.8F430 G477 N478 L481 I644 Y645 W651F430-Y649 HydrophobicContact CE1-CE1 4.44Å; F430-Y649 AromaticContact CE1-CE2 3.63Å; F430-Y649 HydrophobicContact CE1-CE2 3.63Å; F430-Y649 AromaticContact CE1-CZ 3.59Å; F430-Y649 WeakPolarHBondContact CE1-OH 3.45Å; F430-Y649 HydrophobicContact CZ-CE2 4.12Å; G477-Y649 VanDerWaalsContact CA-CZ 3.44Å; G477-Y649 WeakPolarHBondContact CA-OH 3.29Å; G477-Y649 PolarHBondContact O-OH 2.83Å; N478-Y649 PolarHBondContact N-OH 3.48Å; N478-Y649 PolarHBondContact OD1-OH 3.47Å; L481-Y649 HydrophobicContact CB-CE1 4.13Å; L481-Y649 HydrophobicContact CD1-CD1 4.2Å; L481-Y649 HydrophobicContact CD1-CE1 4.48Å; L481-Y649 HydrophobicContact CD2-CD1 4.29Å; L481-Y649 HydrophobicContact CD2-CE1 3.88Å; L481-Y649 HydrophobicContact CG-CE1 4.38Å; I644-Y649 HydrophobicContact CG2-CD2 4.31Å; I644-Y649 HydrophobicContact CG2-CE2 3.97Å; Y645-Y649 HydrophobicContact CD1-CD2 4.32Å; Y645-Y649 HydrophobicContact CD1-CG 4.26Å; Y645-Y649 HydrophobicContact CD2-CD2 4.47Å; Y645-Y649 HydrophobicContact CE1-CD2 4.25Å; Y645-Y649 HydrophobicContact CE1-CG 4.05Å; Y645-Y649 HydrophobicContact CE2-CD2 4.41Å; Y645-Y649 HydrophobicContact CG-CD2 4.42Å; Y645-Y649 CarbonylContact O-C 3.55Å; Y645-Y649 WeakPolarHBondContact O-CA 3.27Å; Y645-Y649 PolarHBondContact O-N 3.14Å; Y645-Y649 VanDerWaalsContact O-N 3.16Å; Y649-W651 VanDerWaalsContact C-N 3.3Å; Y649-W651 PolarHBondContact O-N 3.35Å
650G93.6Very high97Very high34 Ų3417.3 Ų17.335%0.3519%0.085SC..  trans68.525.5174.100000114.3F510 Y645F510-G650 WeakPolarHBondContact CD1-O 3.39Å; Y645-G650 PolarHBondContact O-N 3.35Å
651W96.6Very high97Very high3 Ų318.1 Ų18.11%0.0119%0.087CC..  trans-54.6134.3171.9-175.1-80.5000110.3F508 F510 L619 L622 Y645 V646 Y649 R653 G657 P658 Y661F508-W651 HydrophobicContact CE1-CH2 4.05Å; F508-W651 AromaticContact CE1-CZ2 3.84Å; F508-W651 HydrophobicContact CE1-CZ2 3.84Å; F508-W651 HydrophobicContact CZ-CH2 4.03Å; F508-W651 AromaticContact CZ-CZ2 3.75Å; F508-W651 HydrophobicContact CZ-CZ2 3.75Å; F510-W651 HydrophobicContact CE1-CB 4.41Å; F510-W651 HydrophobicContact CE1-CE3 4.29Å; F510-W651 HydrophobicContact CE2-CE3 4.44Å; F510-W651 HydrophobicContact CZ-CD2 4.27Å; F510-W651 AromaticContact CZ-CE3 3.59Å; F510-W651 HydrophobicContact CZ-CE3 3.59Å; F510-W651 HydrophobicContact CZ-CZ3 4.03Å; L619-W651 HydrophobicContact CD2-CH2 4.1Å; L619-W651 HydrophobicContact CD2-CZ3 3.89Å; L622-W651 HydrophobicContact CD2-CZ3 4.3Å; Y645-W651 HydrophobicContact CD1-CE3 4.28Å; Y645-W651 WeakPolarHBondContact O-CB 3.4Å; Y645-W651 PolarHBondContact O-N 2.96Å; V646-W651 HydrophobicContact CG2-CB 4.11Å; V646-W651 HydrophobicContact CG2-CG 4.44Å; Y649-W651 VanDerWaalsContact C-N 3.3Å; Y649-W651 PolarHBondContact O-N 3.35Å; W651-R653 PolarHBondContact O-N 3.43Å; W651-R653 VanDerWaalsContact O-N 3.09Å; W651-G657 VanDerWaalsContact CD1-CA 3.42Å; W651-G657 VanDerWaalsContact CE2-C 3.47Å; W651-G657 VanDerWaalsContact NE1-CA 3.29Å; W651-P658 HydrophobicContact CE3-CB 4.19Å; W651-P658 HydrophobicContact CE3-CG 4.47Å; W651-P658 HydrophobicContact CH2-CB 3.94Å; W651-P658 HydrophobicContact CZ2-CB 4.38Å; W651-P658 HydrophobicContact CZ3-CB 3.83Å; W651-Y661 HydrophobicContact CH2-CD1 4.08Å; W651-Y661 HydrophobicContact CH2-CG 4.44Å; W651-Y661 AromaticContact CZ2-CD1 3.98Å; W651-Y661 HydrophobicContact CZ2-CD1 3.98Å; W651-Y661 AromaticContact CZ2-CG 3.88Å; W651-Y661 HydrophobicContact CZ2-CG 3.88Å
652P95.7Very high97Very high7 Ų718.1 Ų18.15%0.0459%0.087CC..  trans-60.7116.1-177.719.1-29.2000111.6F508 H654 R655F508-P652 HydrophobicContact CD1-CG 3.8Å; F508-P652 HydrophobicContact CE1-CG 3.64Å; P652-H654 PolarHBondContact O-N 2.89Å; P652-H654 VanDerWaalsContact O-N 3.13Å; P652-R655 HydrophobicContact CB-CG 4.3Å; P652-R655 HydrophobicContact CG-CB 4.16Å; P652-R655 HydrophobicContact CG-CG 4.05Å; P652-R655 WeakPolarHBondContact O-CA 3.22Å; P652-R655 PolarHBondContact O-N 3.03Å
653R95.6Very high96.9Very high120 Ų12019.9 Ų19.945%0.45311%0.106SC..G310 helixtrans-55-34.6179.9-61.2-167.5178.8172.7-1.1113.3L267 V646 W651 R655 G656L267-R653 HydrophobicContact CD2-CB 3.68Å; L267-R653 WeakPolarHBondContact CD2-O 3.26Å; V646-R653 HydrophobicContact CG1-CG 3.52Å; W651-R653 PolarHBondContact O-N 3.43Å; W651-R653 VanDerWaalsContact O-N 3.09Å; R653-R655 PolarHBondContact O-N 3.25Å; R653-R655 VanDerWaalsContact O-N 3.12Å; R653-G656 PolarHBondContact O-N 3.34Å
654H95.4Very high96.8Very high16 Ų1624.3 Ų24.37%0.07413%0.127CC..G310 helixtrans-71.11.217765.8-97.1000113.9R224 A226 Q263 A266 L267 P652R224-H654 PolarHBondContact O-CE1 3.21Å; A226-H654 HydrophobicContact CB-CB 4.4Å; Q263-H654 WeakPolarHBondContact CA-O 3.27Å; Q263-H654 HydrophobicContact CB-CB 4.19Å; Q263-H654 HydrophobicContact CG-CB 4.14Å; Q263-H654 WeakPolarHBondContact CG-O 3.27Å; Q263-H654 PolarHBondContact NE2-CD2 2.97Å; A266-H654 WeakPolarHBondContact CB-O 3.26Å; L267-H654 HydrophobicContact CD1-CB 4.2Å; L267-H654 HydrophobicContact CG-CB 4.36Å; P652-H654 PolarHBondContact O-N 2.89Å; P652-H654 VanDerWaalsContact O-N 3.13Å
655R96.3Very high96.7Very high68 Ų6826.4 Ų26.426%0.25714%0.139SC..G310 helixtrans-119.413.1167.9-54.7-162.2-176.1-133.27.9112.8F508 P652 R653 G657F508-R655 VanDerWaalsContact CD2-CZ 3.48Å; F508-R655 VanDerWaalsContact CE2-CD 3.48Å; F508-R655 VanDerWaalsContact CE2-NH1 3.31Å; F508-R655 VanDerWaalsContact O-CZ 3.25Å; F508-R655 PolarHBondContact O-NE 2.87Å; F508-R655 PolarHBondContact O-NH2 3.46Å; P652-R655 HydrophobicContact CB-CG 4.3Å; P652-R655 HydrophobicContact CG-CB 4.16Å; P652-R655 HydrophobicContact CG-CG 4.05Å; P652-R655 WeakPolarHBondContact O-CA 3.22Å; P652-R655 PolarHBondContact O-N 3.03Å; R653-R655 PolarHBondContact O-N 3.25Å; R653-R655 VanDerWaalsContact O-N 3.12Å; R655-G657 VanDerWaalsContact C-N 3.27Å; R655-G657 PolarHBondContact O-N 3.06Å
656G96.9Very high96.6Very high0 Ų026.9 Ų26.90%015%0.145CC..  trans79.3-65168.600000113.7V646 R653V646-G656 VanDerWaalsContact CG2-O 3.26Å; V646-G656 WeakPolarHBondContact CG2-O 3.44Å; R653-G656 PolarHBondContact O-N 3.34Å
657G98.1Very high96.7Very high0 Ų026.6 Ų26.60%014%0.143CC..  trans165.6167.9-175.900000109.3D642 W651 R655 M659 F660 Y661D642-G657 VanDerWaalsContact OD1-CA 3.24Å; D642-G657 WeakPolarHBondContact OD1-CA 3.39Å; W651-G657 VanDerWaalsContact CD1-CA 3.42Å; W651-G657 VanDerWaalsContact CE2-C 3.47Å; W651-G657 VanDerWaalsContact NE1-CA 3.29Å; R655-G657 VanDerWaalsContact C-N 3.27Å; R655-G657 PolarHBondContact O-N 3.06Å; G657-M659 VanDerWaalsContact C-N 3.3Å; G657-M659 PolarHBondContact O-N 3.39Å; G657-F660 PolarHBondContact O-N 2.95Å; G657-Y661 WeakPolarHBondContact O-CB 3.47Å; G657-Y661 PolarHBondContact O-N 2.67Å
658P98.5Very high96.7Very high0 Ų030.2 Ų30.20%016%0.162CC..Hα-helixtrans-56.7-39.5-179.323.5-35.5000113.7M480 L622 I623 I641 D642 Y645 W651 Y661 A662M480-P658 HydrophobicContact CE-CB 4.48Å; M480-P658 HydrophobicContact CE-CG 4.08Å; L622-P658 HydrophobicContact CD2-CB 3.53Å; L622-P658 HydrophobicContact CD2-CG 4.05Å; I623-P658 HydrophobicContact CG1-CB 3.74Å; I623-P658 WeakPolarHBondContact CG1-O 3.35Å; I641-P658 HydrophobicContact CG2-CG 4.02Å; D642-P658 WeakPolarHBondContact OD1-CD 3.48Å; Y645-P658 HydrophobicContact CD1-CG 4.4Å; Y645-P658 HydrophobicContact CD2-CG 4.08Å; Y645-P658 HydrophobicContact CG-CG 3.8Å; W651-P658 HydrophobicContact CE3-CB 4.19Å; W651-P658 HydrophobicContact CE3-CG 4.47Å; W651-P658 HydrophobicContact CH2-CB 3.94Å; W651-P658 HydrophobicContact CZ2-CB 4.38Å; W651-P658 HydrophobicContact CZ3-CB 3.83Å; P658-Y661 PolarHBondContact O-N 2.62Å; P658-A662 WeakPolarHBondContact O-CB 3.28Å; P658-A662 PolarHBondContact O-N 3.22Å
659M98.6Very high96.9Very high0 Ų033.3 Ų33.30%017%0.172CC..Hα-helixtrans-71-47.2-179.6-56.1-6296.800110.6M480 I623 L630 P638 I641 D642 G657 Y661 A662 G663 I704 W707M480-M659 HydrophobicContact CE-CE 4.2Å; I623-M659 HydrophobicContact CB-CE 4.37Å; I623-M659 HydrophobicContact CG1-CE 4.33Å; I623-M659 HydrophobicContact CG2-CE 4.25Å; L630-M659 HydrophobicContact CD1-SD 4.14Å; P638-M659 HydrophobicContact CB-CB 3.69Å; P638-M659 HydrophobicContact CB-CG 3.9Å; I641-M659 HydrophobicContact CB-CG 3.94Å; I641-M659 HydrophobicContact CD1-CG 4.36Å; I641-M659 HydrophobicContact CD1-SD 4.14Å; I641-M659 HydrophobicContact CG2-CE 4.19Å; I641-M659 HydrophobicContact CG2-CG 3.85Å; I641-M659 HydrophobicContact CG2-SD 4.34Å; D642-M659 WeakPolarHBondContact OD1-CA 3.3Å; D642-M659 VanDerWaalsContact OD1-CB 3.3Å; D642-M659 WeakPolarHBondContact OD1-CB 3.5Å; D642-M659 PolarHBondContact OD1-N 3.15Å; G657-M659 VanDerWaalsContact C-N 3.3Å; G657-M659 PolarHBondContact O-N 3.39Å; M659-Y661 VanDerWaalsContact C-N 3.31Å; M659-Y661 PolarHBondContact O-N 3.32Å; M659-A662 WeakPolarHBondContact O-CB 3.49Å; M659-A662 PolarHBondContact O-N 3.29Å; M659-G663 PolarHBondContact O-N 2.85Å; M659-G663 VanDerWaalsContact O-N 3.15Å; M659-I704 HydrophobicContact CB-CD1 4.08Å; M659-W707 HydrophobicContact CB-CZ3 4Å; M659-W707 VanDerWaalsContact O-CH2 3.24Å; M659-W707 WeakPolarHBondContact O-CH2 3.32Å
660F98.3Very high97.1Very high31 Ų3131.3 Ų31.314%0.13617%0.165CC..Hα-helixtrans-57.4-44.4172.8-177.8-88.9000112.5R265 A266 Y269 D642 G657 A662 G663 Q664 I704R265-F660 HydrophobicContact CB-CZ 4.43Å; A266-F660 HydrophobicContact CB-CD1 4.08Å; A266-F660 HydrophobicContact CB-CE1 3.48Å; A266-F660 VanDerWaalsContact CB-CE1 3.48Å; A266-F660 HydrophobicContact CB-CZ 4.04Å; Y269-F660 HydrophobicContact CD1-CB 3.76Å; Y269-F660 AromaticContact CD1-CD2 3.37Å; Y269-F660 HydrophobicContact CD1-CD2 3.37Å; Y269-F660 HydrophobicContact CD1-CE2 4.13Å; Y269-F660 AromaticContact CD1-CG 3.66Å; Y269-F660 HydrophobicContact CD1-CG 3.66Å; Y269-F660 AromaticContact CD2-CD2 3.71Å; Y269-F660 HydrophobicContact CD2-CD2 3.71Å; Y269-F660 HydrophobicContact CD2-CE2 4.19Å; Y269-F660 HydrophobicContact CE1-CB 3.51Å; Y269-F660 AromaticContact CE1-CD2 3.86Å; Y269-F660 HydrophobicContact CE1-CD2 3.86Å; Y269-F660 AromaticContact CE1-CG 3.96Å; Y269-F660 HydrophobicContact CE1-CG 3.96Å; Y269-F660 HydrophobicContact CE2-CD2 4.14Å; Y269-F660 HydrophobicContact CG-CB 4.5Å; Y269-F660 AromaticContact CG-CD2 3.28Å; Y269-F660 HydrophobicContact CG-CD2 3.28Å; Y269-F660 AromaticContact CG-CE2 3.69Å; Y269-F660 HydrophobicContact CG-CE2 3.69Å; Y269-F660 HydrophobicContact CG-CG 4.07Å; D642-F660 PolarHBondContact OD2-N 2.97Å; D642-F660 VanDerWaalsContact OD2-N 3.07Å; G657-F660 PolarHBondContact O-N 2.95Å; F660-A662 PolarHBondContact O-N 3.4Å; F660-G663 PolarHBondContact O-N 2.77Å; F660-Q664 PolarHBondContact O-N 3.33Å; F660-I704 HydrophobicContact CB-CD1 4.19Å
661Y98.3Very high97.3Very high26 Ų2630.4 Ų30.410%0.10215%0.152CC..Hα-helixtrans-64-39.9179.9180-109.5000111.9F508 L619 Y620 I623 W651 G657 P658 M659 G663 Q664 V665F508-Y661 HydrophobicContact CE2-CD2 4.37Å; F508-Y661 AromaticContact CE2-CE1 3.92Å; F508-Y661 HydrophobicContact CE2-CE1 3.92Å; F508-Y661 AromaticContact CE2-CE2 3.77Å; F508-Y661 HydrophobicContact CE2-CE2 3.77Å; F508-Y661 AromaticContact CE2-CZ 3.52Å; F508-Y661 HydrophobicContact CZ-CD1 4.16Å; F508-Y661 HydrophobicContact CZ-CD2 4.2Å; F508-Y661 AromaticContact CZ-CE1 3.99Å; F508-Y661 HydrophobicContact CZ-CE1 3.99Å; F508-Y661 HydrophobicContact CZ-CE2 4.06Å; F508-Y661 HydrophobicContact CZ-CG 4.27Å; F508-Y661 AromaticContact CZ-CZ 3.96Å; L619-Y661 HydrophobicContact CD1-CE1 4.03Å; Y620-Y661 HydrophobicContact CE1-CE1 4.37Å; I623-Y661 HydrophobicContact CD1-CD1 4Å; W651-Y661 HydrophobicContact CH2-CD1 4.08Å; W651-Y661 HydrophobicContact CH2-CG 4.44Å; W651-Y661 AromaticContact CZ2-CD1 3.98Å; W651-Y661 HydrophobicContact CZ2-CD1 3.98Å; W651-Y661 AromaticContact CZ2-CG 3.88Å; W651-Y661 HydrophobicContact CZ2-CG 3.88Å; G657-Y661 WeakPolarHBondContact O-CB 3.47Å; G657-Y661 PolarHBondContact O-N 2.67Å; P658-Y661 PolarHBondContact O-N 2.62Å; M659-Y661 VanDerWaalsContact C-N 3.31Å; M659-Y661 PolarHBondContact O-N 3.32Å; Y661-G663 VanDerWaalsContact C-N 3.3Å; Y661-G663 PolarHBondContact O-N 3.14Å; Y661-Q664 WeakPolarHBondContact O-CB 3.18Å; Y661-Q664 PolarHBondContact O-N 3.4Å; Y661-Q664 VanDerWaalsContact O-N 3.07Å; Y661-V665 HydrophobicContact CD1-CG2 4.25Å; Y661-V665 HydrophobicContact CD2-CG2 4.4Å; Y661-V665 HydrophobicContact CE1-CG2 3.78Å; Y661-V665 HydrophobicContact CE2-CG2 3.91Å; Y661-V665 WeakPolarHBondContact O-CG2 3.27Å; Y661-V665 PolarHBondContact O-N 2.91Å
662A98.3Very high97.4Very high0 Ų034.7 Ų34.70%017%0.172CC..Hα-helixtrans-57.6-44.1172.300000111.8I623 F627 P658 M659 F660 Q664 V665 G666 L667 V670I623-A662 HydrophobicContact CD1-CB 4.22Å; I623-A662 HydrophobicContact CG2-CB 3.64Å; F627-A662 HydrophobicContact CE2-CB 4.04Å; F627-A662 HydrophobicContact CZ-CB 4.23Å; P658-A662 WeakPolarHBondContact O-CB 3.28Å; P658-A662 PolarHBondContact O-N 3.22Å; M659-A662 WeakPolarHBondContact O-CB 3.49Å; M659-A662 PolarHBondContact O-N 3.29Å; F660-A662 PolarHBondContact O-N 3.4Å; A662-Q664 VanDerWaalsContact C-N 3.31Å; A662-Q664 PolarHBondContact O-N 2.85Å; A662-V665 PolarHBondContact O-N 3.19Å; A662-G666 PolarHBondContact O-N 3.23Å; A662-L667 HydrophobicContact CB-CD2 3.97Å; A662-V670 HydrophobicContact CB-CG2 4.45Å
663G96.8Very high97.6Very high38 Ų3836.5 Ų36.539%0.39218%0.178SC..Hα-helixtrans-64.4-32.6174.200000113.6M659 F660 Y661M659-G663 PolarHBondContact O-N 2.85Å; M659-G663 VanDerWaalsContact O-N 3.15Å; F660-G663 PolarHBondContact O-N 2.77Å; Y661-G663 VanDerWaalsContact C-N 3.3Å; Y661-G663 PolarHBondContact O-N 3.14Å
664Q95.1Very high97.7Very high92 Ų9230.8 Ų30.843%0.4316%0.157SC..Hα-helixtrans-72.8-35.9176.1-172.4-179.40.700112.6F660 Y661 A662F660-Q664 PolarHBondContact O-N 3.33Å; Y661-Q664 WeakPolarHBondContact O-CB 3.18Å; Y661-Q664 PolarHBondContact O-N 3.4Å; Y661-Q664 VanDerWaalsContact O-N 3.07Å; A662-Q664 VanDerWaalsContact C-N 3.31Å; A662-Q664 PolarHBondContact O-N 2.85Å
665V96.8Very high97.8Very high44 Ų4433.1 Ų33.127%0.26717%0.168SC..Hα-helixtrans-70-38.2174.8170.30000111.1Y620 Y661 A662 K669 V670Y620-V665 WeakPolarHBondContact OH-CG1 3.47Å; Y661-V665 HydrophobicContact CD1-CG2 4.25Å; Y661-V665 HydrophobicContact CD2-CG2 4.4Å; Y661-V665 HydrophobicContact CE1-CG2 3.78Å; Y661-V665 HydrophobicContact CE2-CG2 3.91Å; Y661-V665 WeakPolarHBondContact O-CG2 3.27Å; Y661-V665 PolarHBondContact O-N 2.91Å; A662-V665 PolarHBondContact O-N 3.19Å; V665-K669 HydrophobicContact CG1-CB 4.22Å; V665-K669 HydrophobicContact CG1-CG 4.23Å; V665-V670 HydrophobicContact CB-CG2 4.25Å; V665-V670 HydrophobicContact CG1-CG2 3.91Å
666G97.5Very high97.9Very high12 Ų1233.2 Ų33.212%0.12417%0.171CC..  trans105124.7-169.500000110.3A662 K669 V670A662-G666 PolarHBondContact O-N 3.23Å; G666-K669 PolarHBondContact O-N 3.08Å; G666-V670 WeakPolarHBondContact O-CG2 3.46Å; G666-V670 PolarHBondContact O-N 3.31Å; G666-V670 VanDerWaalsContact O-N 3.08Å
667L98.3Very high98Very high2 Ų233.5 Ų33.51%0.0117%0.172CC..Hα-helixtrans-71.6-35.4-171.6-54.8179000112.3F627 A662 K669 V670 V671 L693 L696 A697 N701 W707F627-L667 HydrophobicContact CE2-CD2 4.39Å; F627-L667 HydrophobicContact CZ-CD2 3.76Å; A662-L667 HydrophobicContact CB-CD2 3.97Å; L667-K669 VanDerWaalsContact C-N 3.3Å; L667-K669 PolarHBondContact O-N 2.84Å; L667-V670 PolarHBondContact O-N 3.31Å; L667-V671 WeakPolarHBondContact O-CG2 3.23Å; L667-V671 PolarHBondContact O-N 3.05Å; L667-L693 HydrophobicContact CB-CD1 3.94Å; L667-L693 HydrophobicContact CD2-CD1 4.05Å; L667-L693 HydrophobicContact CG-CD1 4.45Å; L667-L696 HydrophobicContact CD1-CB 3.52Å; L667-L696 HydrophobicContact CD1-CD1 4.35Å; L667-A697 HydrophobicContact CB-CB 4.02Å; L667-N701 VanDerWaalsContact CB-OD1 3.26Å; L667-N701 WeakPolarHBondContact CB-OD1 3.25Å; L667-N701 PolarHBondContact N-OD1 3.25Å; L667-W707 HydrophobicContact CD1-CH2 4.46Å; L667-W707 HydrophobicContact CD1-CZ2 3.7Å; L667-W707 HydrophobicContact CD2-CH2 3.83Å; L667-W707 HydrophobicContact CD2-CZ2 3.7Å; L667-W707 HydrophobicContact CG-CZ2 4.11Å
668D97.8Very high97.9Very high86 Ų8635.2 Ų35.246%0.4618%0.18SC..Hα-helixtrans-53.4-45.716859.2-25.3000112V671 E672 N701D668-V671 PolarHBondContact O-N 3.18Å; D668-E672 WeakPolarHBondContact O-CB 3.37Å; D668-E672 PolarHBondContact O-N 3.21Å; D668-N701 PolarHBondContact N-OD1 3.03Å; D668-N701 VanDerWaalsContact N-OD1 3.1Å; D668-N701 PolarHBondContact OD1-ND2 3.49Å; D668-N701 PolarHBondContact OD2-ND2 2.91Å
669K98.3Very high97.9Very high79 Ų7942.4 Ų42.434%0.34321%0.214SC..Hα-helixtrans-66.1-41.3177.2-171.856.1170.4-178.10111.9V665 G666 L667 V671 E672 R673V665-K669 HydrophobicContact CG1-CB 4.22Å; V665-K669 HydrophobicContact CG1-CG 4.23Å; G666-K669 PolarHBondContact O-N 3.08Å; L667-K669 VanDerWaalsContact C-N 3.3Å; L667-K669 PolarHBondContact O-N 2.84Å; K669-V671 VanDerWaalsContact C-N 3.32Å; K669-V671 PolarHBondContact O-N 3.22Å; K669-E672 WeakPolarHBondContact CD-OE2 3.49Å; K669-E672 IonicContact NZ-OE1 3.57Å; K669-E672 PolarHBondContact NZ-OE1 3.5Å; K669-E672 IonicContact NZ-OE2 2.67Å; K669-E672 PolarHBondContact NZ-OE2 2.91Å; K669-E672 PolarHBondContact O-N 3.33Å; K669-R673 HydrophobicContact CD-CG 4.17Å; K669-R673 HydrophobicContact CG-CG 4.44Å; K669-R673 VanDerWaalsContact O-CG 3.31Å; K669-R673 WeakPolarHBondContact O-CG 3.45Å; K669-R673 PolarHBondContact O-N 3.32Å
670V98.6Very high97.7Very high0 Ų046.8 Ų46.80%024%0.236CC..Hα-helixtrans-61.4-42.6175.5177.90000110.7Y620 I623 A662 V665 G666 L667 L674 L693Y620-V670 HydrophobicContact CD1-CG1 4.42Å; Y620-V670 HydrophobicContact CD1-CG2 4.48Å; Y620-V670 HydrophobicContact CD2-CG1 4.48Å; Y620-V670 HydrophobicContact CE1-CG2 4.28Å; Y620-V670 HydrophobicContact CG-CG1 4.18Å; I623-V670 HydrophobicContact CG2-CG1 4.33Å; A662-V670 HydrophobicContact CB-CG2 4.45Å; V665-V670 HydrophobicContact CB-CG2 4.25Å; V665-V670 HydrophobicContact CG1-CG2 3.91Å; G666-V670 WeakPolarHBondContact O-CG2 3.46Å; G666-V670 PolarHBondContact O-N 3.31Å; G666-V670 VanDerWaalsContact O-N 3.08Å; L667-V670 PolarHBondContact O-N 3.31Å; V670-L674 HydrophobicContact CG1-CD1 3.9Å; V670-L674 HydrophobicContact CG1-CG 4.46Å; V670-L674 WeakPolarHBondContact O-CB 3.29Å; V670-L674 VanDerWaalsContact O-CG 3.31Å; V670-L674 WeakPolarHBondContact O-CG 3.4Å; V670-L674 PolarHBondContact O-N 2.79Å; V670-L693 HydrophobicContact CG1-CD2 4.05Å
671V98.7Very high97.6Very high14 Ų1446.1 Ų46.19%0.08523%0.233CC..Hα-helixtrans-60.7-52174.5170.90000110.9L667 D668 K669 R673 L674 E675 P689 L693 R694 A697L667-V671 WeakPolarHBondContact O-CG2 3.23Å; L667-V671 PolarHBondContact O-N 3.05Å; D668-V671 PolarHBondContact O-N 3.18Å; K669-V671 VanDerWaalsContact C-N 3.32Å; K669-V671 PolarHBondContact O-N 3.22Å; V671-R673 VanDerWaalsContact C-N 3.29Å; V671-R673 PolarHBondContact O-N 2.84Å; V671-L674 PolarHBondContact O-N 3.45Å; V671-E675 HydrophobicContact CG1-CG 4.26Å; V671-E675 WeakPolarHBondContact O-CG 3.39Å; V671-E675 PolarHBondContact O-N 2.74Å; V671-P689 HydrophobicContact CG1-CB 4.34Å; V671-P689 HydrophobicContact CG1-CG 4.16Å; V671-P689 HydrophobicContact CG2-CB 4.35Å; V671-L693 HydrophobicContact CG2-CD1 4.13Å; V671-L693 HydrophobicContact CG2-CD2 4.03Å; V671-L693 HydrophobicContact CG2-CG 3.62Å; V671-R694 HydrophobicContact CG2-CG 4.5Å; V671-A697 HydrophobicContact CG2-CB 4.03Å
672E98.4Very high97.4Very high94 Ų9449.4 Ų49.444%0.43926%0.258SS..Hα-helixtrans-53.6-46.6-179.6-176-151.6129.300111.4D668 K669 E675 H676D668-E672 WeakPolarHBondContact O-CB 3.37Å; D668-E672 PolarHBondContact O-N 3.21Å; K669-E672 WeakPolarHBondContact CD-OE2 3.49Å; K669-E672 IonicContact NZ-OE1 3.57Å; K669-E672 PolarHBondContact NZ-OE1 3.5Å; K669-E672 IonicContact NZ-OE2 2.67Å; K669-E672 PolarHBondContact NZ-OE2 2.91Å; K669-E672 PolarHBondContact O-N 3.33Å; E672-E675 PolarHBondContact O-N 3.48Å; E672-H676 WeakPolarHBondContact O-CB 3.19Å; E672-H676 PolarHBondContact O-N 2.83Å
673R98.4Very high97.2Very high44 Ų4452.2 Ų52.217%0.16627%0.273CS..Hα-helixtrans-71.8-38.5-178.7-61.8-55.3-66.4152.63.5112.4E616 Y620 K669 V671 H676 Y677E616-R673 IonicContact OE1-NE 3.25Å; E616-R673 PolarHBondContact OE1-NE 2.69Å; E616-R673 IonicContact OE2-CZ 2.91Å; E616-R673 IonicContact OE2-NE 2.71Å; E616-R673 PolarHBondContact OE2-NE 3.4Å; E616-R673 IonicContact OE2-NH2 3.42Å; E616-R673 PolarHBondContact OE2-NH2 3.08Å; Y620-R673 HydrophobicContact CD2-CB 3.85Å; Y620-R673 HydrophobicContact CE2-CB 3.73Å; Y620-R673 HydrophobicContact CE2-CG 4.05Å; K669-R673 HydrophobicContact CD-CG 4.17Å; K669-R673 HydrophobicContact CG-CG 4.44Å; K669-R673 VanDerWaalsContact O-CG 3.31Å; K669-R673 WeakPolarHBondContact O-CG 3.45Å; K669-R673 PolarHBondContact O-N 3.32Å; V671-R673 VanDerWaalsContact C-N 3.29Å; V671-R673 PolarHBondContact O-N 2.84Å; R673-H676 PolarHBondContact NH1-CD2 3.32Å; R673-H676 WeakPolarHBondContact O-CB 3.24Å; R673-H676 PolarHBondContact O-N 3.37Å; R673-Y677 HydrophobicContact CB-CE2 4.47Å; R673-Y677 PolarHBondContact NH2-OH 2.78Å; R673-Y677 WeakPolarHBondContact O-CD2 3.42Å; R673-Y677 PolarHBondContact O-N 2.99Å
674L98.6Very high97.2Very high1 Ų150.7 Ų50.71%0.00526%0.256CS..Hα-helixtrans-61.9-42.8172.7-79.5170.7000111.9N624 V670 V671 Y677 Q678 L687 P689 L693N624-L674 HydrophobicContact CB-CD1 3.84Å; N624-L674 HydrophobicContact CB-CD2 4.33Å; V670-L674 HydrophobicContact CG1-CD1 3.9Å; V670-L674 HydrophobicContact CG1-CG 4.46Å; V670-L674 WeakPolarHBondContact O-CB 3.29Å; V670-L674 VanDerWaalsContact O-CG 3.31Å; V670-L674 WeakPolarHBondContact O-CG 3.4Å; V670-L674 PolarHBondContact O-N 2.79Å; V671-L674 PolarHBondContact O-N 3.45Å; L674-Y677 PolarHBondContact O-N 2.97Å; L674-Q678 WeakPolarHBondContact O-CB 3.35Å; L674-Q678 PolarHBondContact O-N 3.34Å; L674-L687 WeakPolarHBondContact CB-O 3.5Å; L674-L687 HydrophobicContact CD2-CD2 4.22Å; L674-P689 HydrophobicContact CB-CB 4.4Å; L674-P689 HydrophobicContact CB-CG 3.74Å; L674-P689 HydrophobicContact CD1-CB 4.28Å; L674-P689 HydrophobicContact CD1-CG 4.5Å; L674-L693 HydrophobicContact CD1-CD2 3.73Å
675E98.4Very high97.1Very high65 Ų6549.4 Ų49.430%0.30426%0.255SS..Hα-helixtrans-63-42.4175.3-69.9-177.8146.200112.1V671 E672 Y677 Q678 Q679 P689 R694V671-E675 HydrophobicContact CG1-CG 4.26Å; V671-E675 WeakPolarHBondContact O-CG 3.39Å; V671-E675 PolarHBondContact O-N 2.74Å; E672-E675 PolarHBondContact O-N 3.48Å; E675-Y677 PolarHBondContact O-N 2.89Å; E675-Q678 PolarHBondContact O-N 3.5Å; E675-Q679 VanDerWaalsContact O-CG 3.28Å; E675-Q679 WeakPolarHBondContact O-CG 3.37Å; E675-Q679 PolarHBondContact O-N 3.4Å; E675-P689 HydrophobicContact CG-CG 3.59Å; E675-R694 IonicContact OE1-CZ 3.61Å; E675-R694 IonicContact OE1-NH1 3.93Å; E675-R694 PolarHBondContact OE1-NH1 3.24Å; E675-R694 IonicContact OE1-NH2 2.9Å; E675-R694 PolarHBondContact OE1-NH2 3.04Å
676H98.2Very high96.8Very high70 Ų7049 Ų4932%0.32426%0.26SS..Hα-helixtrans-56.6-49.7174.3172.775.4000111.8E672 R673 Q679 I680E672-H676 WeakPolarHBondContact O-CB 3.19Å; E672-H676 PolarHBondContact O-N 2.83Å; R673-H676 PolarHBondContact NH1-CD2 3.32Å; R673-H676 WeakPolarHBondContact O-CB 3.24Å; R673-H676 PolarHBondContact O-N 3.37Å; H676-Q679 PolarHBondContact O-N 3.17Å; H676-I680 WeakPolarHBondContact NE2-CD1 3.1Å; H676-I680 WeakPolarHBondContact O-CG1 3.37Å; H676-I680 PolarHBondContact O-N 2.91Å
677Y98Very high96.8Very high6 Ų648.4 Ų48.42%0.02425%0.254CS..Hα-helixtrans-70-33.7178.9-67.5-60.1000113.2E613 E616 R617 R673 L674 E675 Q679 I680 H681E613-Y677 WeakPolarHBondContact CA-OH 3.17Å; E613-Y677 HydrophobicContact CG-CE1 3.93Å; E616-Y677 HydrophobicContact CB-CE2 3.67Å; E616-Y677 WeakPolarHBondContact OE2-CE2 3.44Å; E616-Y677 PolarHBondContact OE2-OH 3.39Å; R617-Y677 HydrophobicContact CG-CD1 3.74Å; R617-Y677 HydrophobicContact CG-CD2 3.9Å; R617-Y677 HydrophobicContact CG-CE1 3.7Å; R617-Y677 HydrophobicContact CG-CE2 3.88Å; R617-Y677 HydrophobicContact CG-CG 3.85Å; R673-Y677 HydrophobicContact CB-CE2 4.47Å; R673-Y677 PolarHBondContact NH2-OH 2.78Å; R673-Y677 WeakPolarHBondContact O-CD2 3.42Å; R673-Y677 PolarHBondContact O-N 2.99Å; L674-Y677 PolarHBondContact O-N 2.97Å; E675-Y677 PolarHBondContact O-N 2.89Å; Y677-Q679 VanDerWaalsContact C-N 3.33Å; Y677-Q679 PolarHBondContact O-N 3.13Å; Y677-I680 PolarHBondContact O-N 3.04Å; Y677-H681 WeakPolarHBondContact O-CB 3.47Å; Y677-H681 PolarHBondContact O-CD2 3.18Å; Y677-H681 PolarHBondContact O-N 3.09Å
678Q97.2Very high96.7Very high36 Ų3654 Ų5417%0.16828%0.28CS..Hα-helixtrans-64.7-35.9173.6-179.162.344.100112.1L674 E675 H681 P682 V684 L687 Q688L674-Q678 WeakPolarHBondContact O-CB 3.35Å; L674-Q678 PolarHBondContact O-N 3.34Å; E675-Q678 PolarHBondContact O-N 3.5Å; Q678-H681 CarbonylContact O-C 3.57Å; Q678-H681 PolarHBondContact O-N 3.27Å; Q678-P682 PolarHBondContact NE2-O 2.96Å; Q678-P682 WeakPolarHBondContact O-CA 3.03Å; Q678-P682 VanDerWaalsContact O-N 3.14Å; Q678-V684 PolarHBondContact OE1-O 3.22Å; Q678-L687 HydrophobicContact CB-CB 4.15Å; Q678-Q688 HydrophobicContact CG-CB 4.41Å
679Q97.3Very high96.7Very high151 Ų15150.1 Ų50.171%0.70626%0.26SS*.Hα-helixtrans-66.9-38.3175.6-74.4171.44.700112E675 H676 Y677E675-Q679 VanDerWaalsContact O-CG 3.28Å; E675-Q679 WeakPolarHBondContact O-CG 3.37Å; E675-Q679 PolarHBondContact O-N 3.4Å; H676-Q679 PolarHBondContact O-N 3.17Å; Y677-Q679 VanDerWaalsContact C-N 3.33Å; Y677-Q679 PolarHBondContact O-N 3.13Å
680I95.4Very high96.6Very high91 Ų9146.8 Ų46.847%0.46725%0.246SC..Hα-helixtrans-74.5-33.6177.2-61.8168.7000111H676 Y677 P682H676-I680 WeakPolarHBondContact NE2-CD1 3.1Å; H676-I680 WeakPolarHBondContact O-CG1 3.37Å; H676-I680 PolarHBondContact O-N 2.91Å; Y677-I680 PolarHBondContact O-N 3.04Å; I680-P682 VanDerWaalsContact C-CD 3.46Å; I680-P682 WeakPolarHBondContact O-CD 3.47Å
681H95.2Very high96.5Very high17 Ų1749.3 Ų49.38%0.07926%0.264CS..  trans-124.267.9-176.9-56.3-65000111.6E494 Y677 Q678 D683 V684 L687E494-H681 IonicContact OE1-CE1 3.89Å; E494-H681 PolarHBondContact OE1-CE1 2.99Å; E494-H681 IonicContact OE1-NE2 2.92Å; E494-H681 IonicContact OE2-CE1 2.81Å; E494-H681 IonicContact OE2-NE2 2.74Å; Y677-H681 WeakPolarHBondContact O-CB 3.47Å; Y677-H681 PolarHBondContact O-CD2 3.18Å; Y677-H681 PolarHBondContact O-N 3.09Å; Q678-H681 CarbonylContact O-C 3.57Å; Q678-H681 PolarHBondContact O-N 3.27Å; H681-D683 PolarHBondContact O-N 3.28Å; H681-D683 VanDerWaalsContact O-N 3.13Å; H681-V684 HydrophobicContact CB-CB 4.25Å; H681-V684 HydrophobicContact CB-CG2 3.91Å; H681-V684 PolarHBondContact O-N 2.81Å; H681-L687 HydrophobicContact CB-CD1 4.19Å
682P94.9Very high96.4Very high96 Ų9649.1 Ų49.162%0.62326%0.263SS*.THydrogen-bonded Turntrans-63.8-20.2-17827.1-35.5000112.9Q678 I680 V684Q678-P682 PolarHBondContact NE2-O 2.96Å; Q678-P682 WeakPolarHBondContact O-CA 3.03Å; Q678-P682 VanDerWaalsContact O-N 3.14Å; I680-P682 VanDerWaalsContact C-CD 3.46Å; I680-P682 WeakPolarHBondContact O-CD 3.47Å; P682-V684 VanDerWaalsContact C-N 3.25Å; P682-V684 PolarHBondContact O-N 3.1Å
683D93.9Very high96.3Very high58 Ų5844.7 Ų44.731%0.3124%0.242SC..THydrogen-bonded Turntrans-77.7-2.1175.961.7-29.9000113.9S551 R552 H681 P685S551-D683 CarbonylContact C-O 3.59Å; S551-D683 WeakPolarHBondContact CA-O 3.17Å; R552-D683 HydrophobicContact CB-CB 4.3Å; R552-D683 WeakPolarHBondContact CB-OD2 3.47Å; R552-D683 WeakPolarHBondContact CD-OD2 3.35Å; R552-D683 WeakPolarHBondContact CG-OD2 3.41Å; R552-D683 PolarHBondContact N-O 3.19Å; H681-D683 PolarHBondContact O-N 3.28Å; H681-D683 VanDerWaalsContact O-N 3.13Å; D683-P685 VanDerWaalsContact O-CD 3.27Å; D683-P685 WeakPolarHBondContact O-CD 3.46Å
684V95.7Very high96.3Very high7 Ų747 Ų474%0.04225%0.25CS..  trans-115.177.6178.6-170.70000110.4F490 R552 Q678 H681 P682 G686 L687F490-V684 HydrophobicContact CD2-CG2 4.3Å; F490-V684 HydrophobicContact CE2-CG1 3.96Å; F490-V684 HydrophobicContact CE2-CG2 3.92Å; R552-V684 HydrophobicContact CB-CG2 3.81Å; R552-V684 HydrophobicContact CG-CG2 4.44Å; Q678-V684 PolarHBondContact OE1-O 3.22Å; H681-V684 HydrophobicContact CB-CB 4.25Å; H681-V684 HydrophobicContact CB-CG2 3.91Å; H681-V684 PolarHBondContact O-N 2.81Å; P682-V684 VanDerWaalsContact C-N 3.25Å; P682-V684 PolarHBondContact O-N 3.1Å; V684-G686 PolarHBondContact O-N 2.84Å; V684-L687 HydrophobicContact CB-CD1 4.01Å; V684-L687 HydrophobicContact CB-CG 4.38Å; V684-L687 HydrophobicContact CG1-CD1 4.01Å; V684-L687 HydrophobicContact CG1-CG 3.98Å; V684-L687 PolarHBondContact O-N 3.48Å
685P92.7Very high96.2Very high64 Ų6453 Ų5342%0.41628%0.277SS..G310 helixtrans-61-21.9-171.123.7-34.4000114.6S551 D683 L687 Q688S551-P685 VanDerWaalsContact OG-CG 3.26Å; S551-P685 WeakPolarHBondContact OG-CG 3.38Å; D683-P685 VanDerWaalsContact O-CD 3.27Å; D683-P685 WeakPolarHBondContact O-CD 3.46Å; P685-L687 PolarHBondContact O-N 3.04Å; P685-Q688 VanDerWaalsContact O-CB 3.31Å; P685-Q688 WeakPolarHBondContact O-CB 3.06Å; P685-Q688 PolarHBondContact O-N 3.5Å; P685-Q688 VanDerWaalsContact O-N 3.1Å
686G91.6Very high96.1Very high36 Ų3650 Ų5037%0.37126%0.262SS..G310 helixtrans-65.2-14176.100000114.8N624 V684 Q688N624-G686 PolarHBondContact ND2-O 3.24Å; V684-G686 PolarHBondContact O-N 2.84Å; G686-Q688 VanDerWaalsContact C-N 3.34Å
687L96.8Very high96Very high0 Ų047.4 Ų47.40%025%0.254CS..G310 helixtrans-81.6-13.5173.8-68.4172.6000112.7A621 L674 Q678 H681 V684 P685 P689A621-L687 HydrophobicContact CB-CD2 4.05Å; L674-L687 WeakPolarHBondContact CB-O 3.5Å; L674-L687 HydrophobicContact CD2-CD2 4.22Å; Q678-L687 HydrophobicContact CB-CB 4.15Å; H681-L687 HydrophobicContact CB-CD1 4.19Å; V684-L687 HydrophobicContact CB-CD1 4.01Å; V684-L687 HydrophobicContact CB-CG 4.38Å; V684-L687 HydrophobicContact CG1-CD1 4.01Å; V684-L687 HydrophobicContact CG1-CG 3.98Å; V684-L687 PolarHBondContact O-N 3.48Å; P685-L687 PolarHBondContact O-N 3.04Å; L687-P689 WeakPolarHBondContact O-CD 3.19Å
688Q97.2Very high95.8Very high119 Ų11951.4 Ų51.456%0.55629%0.287SS*.SBendtrans-64.1121.4176.3-174.8177.41.500109.9N624 Q678 P685 G686 C690N624-Q688 PolarHBondContact ND2-O 2.93Å; Q678-Q688 HydrophobicContact CG-CB 4.41Å; P685-Q688 VanDerWaalsContact O-CB 3.31Å; P685-Q688 WeakPolarHBondContact O-CB 3.06Å; P685-Q688 PolarHBondContact O-N 3.5Å; P685-Q688 VanDerWaalsContact O-N 3.1Å; G686-Q688 VanDerWaalsContact C-N 3.34Å; Q688-C690 PolarHBondContact O-N 2.89Å
689P97.4Very high95.6Very high5 Ų553.3 Ų53.33%0.03231%0.305CS..PPolyproline II helixtrans-60.4125.6-179.9-11.916.1000111.2N624 V671 L674 E675 L687 L693 R694N624-P689 WeakPolarHBondContact OD1-CA 3.49Å; V671-P689 HydrophobicContact CG1-CB 4.34Å; V671-P689 HydrophobicContact CG1-CG 4.16Å; V671-P689 HydrophobicContact CG2-CB 4.35Å; L674-P689 HydrophobicContact CB-CB 4.4Å; L674-P689 HydrophobicContact CB-CG 3.74Å; L674-P689 HydrophobicContact CD1-CB 4.28Å; L674-P689 HydrophobicContact CD1-CG 4.5Å; E675-P689 HydrophobicContact CG-CG 3.59Å; L687-P689 WeakPolarHBondContact O-CD 3.19Å; P689-L693 HydrophobicContact CB-CD2 4.35Å; P689-R694 HydrophobicContact CB-CG 4.16Å; P689-R694 PolarHBondContact O-NE 2.87Å; P689-R694 VanDerWaalsContact O-NE 3.15Å
690C95.6Very high95.4Very high8 Ų849.1 Ų49.15%0.05430%0.302CS..PPolyproline II helixtrans-66.1162.1-179.473.30000112.1N624 F627 Q628 Q688 L692 L693 R694N624-C690 PolarHBondContact OD1-N 3.12Å; F627-C690 WeakPolarHBondContact CB-SG 3.24Å; Q628-C690 HydrophobicContact CB-CB 4.44Å; Q688-C690 PolarHBondContact O-N 2.89Å; C690-L692 PolarHBondContact O-N 2.92Å; C690-L693 PolarHBondContact O-N 2.98Å; C690-R694 PolarHBondContact O-N 2.69Å; C690-R694 VanDerWaalsContact O-N 3.16Å
691S96.5Very high95.3Very high53 Ų5347.3 Ų47.337%0.37129%0.293SS..Hα-helixtrans-67.7-36-170.985.20000113.1Q631 R694 K695Q631-S691 VanDerWaalsContact CD-OG 3.29Å; Q631-S691 PolarHBondContact OE1-OG 3.28Å; S691-R694 PolarHBondContact O-N 2.9Å; S691-K695 WeakPolarHBondContact O-CB 3.44Å; S691-K695 VanDerWaalsContact O-CG 3.27Å; S691-K695 WeakPolarHBondContact O-CG 3.35Å; S691-K695 PolarHBondContact O-N 3.26Å
692L96.6Very high95.2Very high11 Ų1147.9 Ų47.96%0.05830%0.298CS..Hα-helixtrans-63-45.7177.1177.161.9000111.4F627 L630 Q631 C690 R694 K695 L696 V710 I711F627-L692 HydrophobicContact CD1-CD2 4.33Å; F627-L692 HydrophobicContact CD1-CG 4.43Å; L630-L692 HydrophobicContact CB-CD2 3.64Å; Q631-L692 HydrophobicContact CB-CB 4.09Å; Q631-L692 HydrophobicContact CB-CD2 4.37Å; Q631-L692 HydrophobicContact CG-CB 4.34Å; C690-L692 PolarHBondContact O-N 2.92Å; L692-R694 PolarHBondContact O-N 3.4Å; L692-K695 PolarHBondContact O-N 2.89Å; L692-L696 HydrophobicContact CD1-CD1 4.14Å; L692-L696 HydrophobicContact CD1-CG 4.25Å; L692-L696 HydrophobicContact CG-CD1 4.09Å; L692-L696 WeakPolarHBondContact O-CG 3.47Å; L692-L696 PolarHBondContact O-N 2.87Å; L692-V710 HydrophobicContact CD1-CG1 4.15Å; L692-I711 HydrophobicContact CD1-CG1 4.17Å; L692-I711 HydrophobicContact CD2-CG1 3.95Å
693L97.7Very high95.1Very high0 Ų045.7 Ų45.70%029%0.289CS..Hα-helixtrans-59.4-48177.3172.756.3000111F627 L667 V670 V671 L674 P689 C690 K695 L696 A697F627-L693 HydrophobicContact CB-CB 4.16Å; F627-L693 HydrophobicContact CD1-CB 4.34Å; F627-L693 HydrophobicContact CD2-CB 4.02Å; F627-L693 HydrophobicContact CD2-CD1 3.98Å; F627-L693 HydrophobicContact CD2-CD2 4.13Å; F627-L693 HydrophobicContact CD2-CG 4.24Å; F627-L693 HydrophobicContact CE1-CD1 4.4Å; F627-L693 HydrophobicContact CE2-CD1 3.64Å; F627-L693 HydrophobicContact CE2-CD2 4.42Å; F627-L693 HydrophobicContact CE2-CG 4.39Å; F627-L693 HydrophobicContact CG-CB 3.94Å; F627-L693 HydrophobicContact CZ-CD1 3.88Å; L667-L693 HydrophobicContact CB-CD1 3.94Å; L667-L693 HydrophobicContact CD2-CD1 4.05Å; L667-L693 HydrophobicContact CG-CD1 4.45Å; V670-L693 HydrophobicContact CG1-CD2 4.05Å; V671-L693 HydrophobicContact CG2-CD1 4.13Å; V671-L693 HydrophobicContact CG2-CD2 4.03Å; V671-L693 HydrophobicContact CG2-CG 3.62Å; L674-L693 HydrophobicContact CD1-CD2 3.73Å; P689-L693 HydrophobicContact CB-CD2 4.35Å; C690-L693 PolarHBondContact O-N 2.98Å; L693-K695 VanDerWaalsContact C-N 3.35Å; L693-K695 PolarHBondContact O-N 3.3Å; L693-L696 PolarHBondContact O-N 3.28Å; L693-A697 WeakPolarHBondContact O-CB 3.45Å; L693-A697 PolarHBondContact O-N 3.48Å
694R97.3Very high95Very high93 Ų9344 Ų4435%0.35128%0.28SS..Hα-helixtrans-58.1-44.3175.9-70.6177.2177.9-88.8-2.6112.5V671 E675 P689 C690 S691 L692 A697 A698V671-R694 HydrophobicContact CG2-CG 4.5Å; E675-R694 IonicContact OE1-CZ 3.61Å; E675-R694 IonicContact OE1-NH1 3.93Å; E675-R694 PolarHBondContact OE1-NH1 3.24Å; E675-R694 IonicContact OE1-NH2 2.9Å; E675-R694 PolarHBondContact OE1-NH2 3.04Å; P689-R694 HydrophobicContact CB-CG 4.16Å; P689-R694 PolarHBondContact O-NE 2.87Å; P689-R694 VanDerWaalsContact O-NE 3.15Å; C690-R694 PolarHBondContact O-N 2.69Å; C690-R694 VanDerWaalsContact O-N 3.16Å; S691-R694 PolarHBondContact O-N 2.9Å; L692-R694 PolarHBondContact O-N 3.4Å; R694-A697 PolarHBondContact O-N 3.47Å; R694-A698 VanDerWaalsContact O-CB 3.3Å; R694-A698 WeakPolarHBondContact O-CB 3.39Å; R694-A698 PolarHBondContact O-N 3.46Å
695K96.4Very high94.7Very high127 Ų12749.4 Ų49.455%0.55230%0.304SS*.Hα-helixtrans-62.6-43.4178.7-75.9171.8-178.81780112S691 L692 L693 A698 S699S691-K695 WeakPolarHBondContact O-CB 3.44Å; S691-K695 VanDerWaalsContact O-CG 3.27Å; S691-K695 WeakPolarHBondContact O-CG 3.35Å; S691-K695 PolarHBondContact O-N 3.26Å; L692-K695 PolarHBondContact O-N 2.89Å; L693-K695 VanDerWaalsContact C-N 3.35Å; L693-K695 PolarHBondContact O-N 3.3Å; K695-A698 PolarHBondContact O-N 2.88Å; K695-S699 WeakPolarHBondContact O-CB 3.23Å; K695-S699 PolarHBondContact O-N 2.93Å; K695-S699 PolarHBondContact O-OG 2.95Å
696L96.3Very high94.7Very high1 Ų151 Ų511%0.00530%0.304CS..Hα-helixtrans-66.1-44.1177.6-71.7169.5000111.5F627 L667 L692 L693 S699 N701 P702 W707 V710F627-L696 HydrophobicContact CD1-CD1 4.2Å; F627-L696 HydrophobicContact CE1-CD1 3.74Å; L667-L696 HydrophobicContact CD1-CB 3.52Å; L667-L696 HydrophobicContact CD1-CD1 4.35Å; L692-L696 HydrophobicContact CD1-CD1 4.14Å; L692-L696 HydrophobicContact CD1-CG 4.25Å; L692-L696 HydrophobicContact CG-CD1 4.09Å; L692-L696 WeakPolarHBondContact O-CG 3.47Å; L692-L696 PolarHBondContact O-N 2.87Å; L693-L696 PolarHBondContact O-N 3.28Å; L696-S699 PolarHBondContact O-N 3.45Å; L696-S699 VanDerWaalsContact O-N 3.16Å; L696-N701 PolarHBondContact O-N 3.16Å; L696-P702 HydrophobicContact CD2-CG 3.89Å; L696-P702 WeakPolarHBondContact O-CD 3.41Å; L696-W707 HydrophobicContact CD1-CB 4.36Å; L696-W707 HydrophobicContact CD1-CD2 3.98Å; L696-W707 HydrophobicContact CD1-CE3 4.33Å; L696-W707 HydrophobicContact CD1-CG 3.98Å; L696-W707 HydrophobicContact CD2-CB 4.27Å; L696-W707 HydrophobicContact CD2-CG 4.04Å; L696-V710 HydrophobicContact CD2-CB 3.81Å; L696-V710 HydrophobicContact CD2-CG1 3.98Å; L696-V710 HydrophobicContact CD2-CG2 3.78Å; L696-V710 HydrophobicContact CG-CG1 4.46Å
697A96.3Very high94.7Very high17 Ų1749.3 Ų49.314%0.1429%0.287CS..Hα-helixtrans-58.9-48.3174.600000111.6L667 V671 L693 R694 S699 G700L667-A697 HydrophobicContact CB-CB 4.02Å; V671-A697 HydrophobicContact CG2-CB 4.03Å; L693-A697 WeakPolarHBondContact O-CB 3.45Å; L693-A697 PolarHBondContact O-N 3.48Å; R694-A697 PolarHBondContact O-N 3.47Å; A697-S699 PolarHBondContact O-N 3.31Å; A697-G700 PolarHBondContact O-N 3.49Å; A697-G700 VanDerWaalsContact O-N 3.09Å
698A95Very high94.3Very high89 Ų8952.4 Ų52.474%0.73630%0.299SS*.Hα-helixtrans-64.1-21.1177.300000113.8R694 K695 G700R694-A698 VanDerWaalsContact O-CB 3.3Å; R694-A698 WeakPolarHBondContact O-CB 3.39Å; R694-A698 PolarHBondContact O-N 3.46Å; K695-A698 PolarHBondContact O-N 2.88Å; A698-G700 PolarHBondContact O-N 3.31Å
699S92.6Very high93.7Very high77 Ų7752.6 Ų52.654%0.53830%0.299SS..THydrogen-bonded Turntrans-85.516.4175.6-56.10000113.1K695 L696 A697K695-S699 WeakPolarHBondContact O-CB 3.23Å; K695-S699 PolarHBondContact O-N 2.93Å; K695-S699 PolarHBondContact O-OG 2.95Å; L696-S699 PolarHBondContact O-N 3.45Å; L696-S699 VanDerWaalsContact O-N 3.16Å; A697-S699 PolarHBondContact O-N 3.31Å
700G92.4Very high93Very high62 Ų6254.5 Ų54.564%0.63931%0.311SS*.THydrogen-bonded Turntrans79.136176.100000114A697 A698A697-G700 PolarHBondContact O-N 3.49Å; A697-G700 VanDerWaalsContact O-N 3.09Å; A698-G700 PolarHBondContact O-N 3.31Å
701N92.8Very high92.4Very high54 Ų5456.1 Ų56.129%0.28932%0.318SS..  trans50.958.7178.1-65.3-34.9000113.2L667 D668 L696L667-N701 VanDerWaalsContact CB-OD1 3.26Å; L667-N701 WeakPolarHBondContact CB-OD1 3.25Å; L667-N701 PolarHBondContact N-OD1 3.25Å; D668-N701 PolarHBondContact N-OD1 3.03Å; D668-N701 VanDerWaalsContact N-OD1 3.1Å; D668-N701 PolarHBondContact OD1-ND2 3.49Å; D668-N701 PolarHBondContact OD2-ND2 2.91Å; L696-N701 PolarHBondContact O-N 3.16Å
702P93.9Very high91Very high28 Ų2859.9 Ų59.918%0.18233%0.33CS..  trans-59.2149.2-178.827.8-34.6000110.4L696 K706 W707L696-P702 HydrophobicContact CD2-CG 3.89Å; L696-P702 WeakPolarHBondContact O-CD 3.41Å; P702-K706 HydrophobicContact CB-CB 4.23Å; P702-W707 PolarHBondContact O-NE1 3.31Å
703A91.8Very high89Confident51 Ų5167 Ų6742%0.42136%0.361SS..  trans-58.7147.717600000111.4H705 K706A703-H705 VanDerWaalsContact C-N 3.25Å; A703-H705 VanDerWaalsContact CB-CE1 3.43Å; A703-H705 WeakPolarHBondContact CB-CE1 3.24Å; A703-H705 PolarHBondContact O-N 3.39Å; A703-K706 WeakPolarHBondContact O-CA 3.36Å; A703-K706 WeakPolarHBondContact O-CB 3.24Å; A703-K706 PolarHBondContact O-N 3.24Å
704I93.6Very high86.4Confident23 Ų2371.8 Ų71.812%0.11839%0.392CS..G310 helixtrans-50.8-37.8-172.7-170.6161.7000114.8Y269 P638 M659 F660 K706 W707Y269-I704 HydrophobicContact CD2-CG2 4.35Å; Y269-I704 HydrophobicContact CE2-CD1 4.04Å; Y269-I704 HydrophobicContact CE2-CG2 4.03Å; Y269-I704 WeakPolarHBondContact OH-CD1 3.42Å; P638-I704 HydrophobicContact CB-CD1 4.03Å; P638-I704 HydrophobicContact CB-CG1 4.05Å; P638-I704 HydrophobicContact CG-CD1 4.26Å; P638-I704 HydrophobicContact CG-CG1 3.77Å; M659-I704 HydrophobicContact CB-CD1 4.08Å; F660-I704 HydrophobicContact CB-CD1 4.19Å; I704-K706 PolarHBondContact O-N 2.91Å; I704-W707 HydrophobicContact CB-CD2 4.38Å; I704-W707 HydrophobicContact CB-CZ2 4.31Å; I704-W707 HydrophobicContact CD1-CE3 4.49Å; I704-W707 HydrophobicContact CD1-CH2 4.31Å; I704-W707 HydrophobicContact CD1-CZ3 4.17Å; I704-W707 HydrophobicContact CG1-CD2 4.05Å; I704-W707 HydrophobicContact CG1-CE3 3.95Å; I704-W707 HydrophobicContact CG1-CH2 4.3Å; I704-W707 HydrophobicContact CG1-CZ2 4.39Å; I704-W707 HydrophobicContact CG1-CZ3 4.09Å; I704-W707 WeakPolarHBondContact O-CB 3.37Å; I704-W707 PolarHBondContact O-N 3.45Å
705H88.9Confident83.8Confident119 Ų11978.4 Ų78.455%0.55142%0.417SS*.G310 helixtrans-64.6-21.6178.665-90.9000113.5A703A703-H705 VanDerWaalsContact C-N 3.25Å; A703-H705 VanDerWaalsContact CB-CE1 3.43Å; A703-H705 WeakPolarHBondContact CB-CE1 3.24Å; A703-H705 PolarHBondContact O-N 3.39Å
706K91.4Very high80.8Confident98 Ų9876.6 Ų76.643%0.42642%0.42SS..G310 helixtrans-87.5-10.7176.2-58.6-169.6175.8-175.30112.9P702 A703 I704 R708 E709P702-K706 HydrophobicContact CB-CB 4.23Å; A703-K706 WeakPolarHBondContact O-CA 3.36Å; A703-K706 WeakPolarHBondContact O-CB 3.24Å; A703-K706 PolarHBondContact O-N 3.24Å; I704-K706 PolarHBondContact O-N 2.91Å; K706-R708 PolarHBondContact O-N 3.16Å; K706-E709 WeakPolarHBondContact O-CB 3.5Å; K706-E709 PolarHBondContact O-N 2.93Å; K706-E709 VanDerWaalsContact O-N 3.1Å
707W93.3Very high77.7Confident0 Ų085.4 Ų85.40%046%0.461CS..Hα-helixtrans-62.2-33-178.7-64.32.9000111.6F627 P638 M659 L667 L696 P702 I704 E709 V710 I711F627-W707 AromaticContact CE1-CE3 3.78Å; F627-W707 HydrophobicContact CE1-CE3 3.78Å; F627-W707 AromaticContact CE1-CH2 3.94Å; F627-W707 HydrophobicContact CE1-CH2 3.94Å; F627-W707 AromaticContact CE1-CZ3 3.42Å; F627-W707 HydrophobicContact CE1-CZ3 3.42Å; F627-W707 VanDerWaalsContact CE1-CZ3 3.42Å; F627-W707 HydrophobicContact CZ-CE3 4.29Å; F627-W707 AromaticContact CZ-CH2 3.59Å; F627-W707 HydrophobicContact CZ-CH2 3.59Å; F627-W707 HydrophobicContact CZ-CZ2 4.44Å; F627-W707 AromaticContact CZ-CZ3 3.48Å; F627-W707 HydrophobicContact CZ-CZ3 3.48Å; F627-W707 VanDerWaalsContact CZ-CZ3 3.48Å; P638-W707 HydrophobicContact CB-CE3 4.03Å; P638-W707 HydrophobicContact CB-CZ3 4.32Å; P638-W707 HydrophobicContact CG-CE3 4.22Å; M659-W707 HydrophobicContact CB-CZ3 4Å; M659-W707 VanDerWaalsContact O-CH2 3.24Å; M659-W707 WeakPolarHBondContact O-CH2 3.32Å; L667-W707 HydrophobicContact CD1-CH2 4.46Å; L667-W707 HydrophobicContact CD1-CZ2 3.7Å; L667-W707 HydrophobicContact CD2-CH2 3.83Å; L667-W707 HydrophobicContact CD2-CZ2 3.7Å; L667-W707 HydrophobicContact CG-CZ2 4.11Å; L696-W707 HydrophobicContact CD1-CB 4.36Å; L696-W707 HydrophobicContact CD1-CD2 3.98Å; L696-W707 HydrophobicContact CD1-CE3 4.33Å; L696-W707 HydrophobicContact CD1-CG 3.98Å; L696-W707 HydrophobicContact CD2-CB 4.27Å; L696-W707 HydrophobicContact CD2-CG 4.04Å; P702-W707 PolarHBondContact O-NE1 3.31Å; I704-W707 HydrophobicContact CB-CD2 4.38Å; I704-W707 HydrophobicContact CB-CZ2 4.31Å; I704-W707 HydrophobicContact CD1-CE3 4.49Å; I704-W707 HydrophobicContact CD1-CH2 4.31Å; I704-W707 HydrophobicContact CD1-CZ3 4.17Å; I704-W707 HydrophobicContact CG1-CD2 4.05Å; I704-W707 HydrophobicContact CG1-CE3 3.95Å; I704-W707 HydrophobicContact CG1-CH2 4.3Å; I704-W707 HydrophobicContact CG1-CZ2 4.39Å; I704-W707 HydrophobicContact CG1-CZ3 4.09Å; I704-W707 WeakPolarHBondContact O-CB 3.37Å; I704-W707 PolarHBondContact O-N 3.45Å; W707-E709 PolarHBondContact O-N 3.43Å; W707-V710 WeakPolarHBondContact O-CB 3.41Å; W707-V710 PolarHBondContact O-N 3.33Å; W707-I711 HydrophobicContact CB-CD1 4.29Å; W707-I711 VanDerWaalsContact O-CG1 3.29Å; W707-I711 WeakPolarHBondContact O-CG1 3.45Å; W707-I711 PolarHBondContact O-N 2.95Å
708R86.4Confident74.5Confident66 Ų6696.2 Ų96.225%0.24952%0.515CS..Hα-helixtrans-56.7-34.7175.5-71.5-177.8177.7-125.5-2.2112.9E639 K706 V710 I711 Q712E639-R708 IonicContact OE1-NE 3.78Å; E639-R708 IonicContact OE2-CZ 3.02Å; E639-R708 IonicContact OE2-NE 3.66Å; E639-R708 PolarHBondContact OE2-NE 3.38Å; E639-R708 VanDerWaalsContact OE2-NE 3.1Å; E639-R708 IonicContact OE2-NH2 3.52Å; E639-R708 PolarHBondContact OE2-NH2 3.13Å; K706-R708 PolarHBondContact O-N 3.16Å; R708-V710 PolarHBondContact O-N 3.15Å; R708-I711 PolarHBondContact O-N 3.31Å; R708-Q712 VanDerWaalsContact O-CB 3.28Å; R708-Q712 WeakPolarHBondContact O-CB 3.44Å; R708-Q712 VanDerWaalsContact O-CG 3.31Å; R708-Q712 WeakPolarHBondContact O-CG 3.32Å; R708-Q712 PolarHBondContact O-N 3.05Å
709E86.1Confident73.5Confident122 Ų12296.6 Ų96.657%0.5750%0.504SS*.Hα-helixtrans-65.8-28.9177.4-59.1172.4-168.200112.1K706 W707 K713K706-E709 WeakPolarHBondContact O-CB 3.5Å; K706-E709 PolarHBondContact O-N 2.93Å; K706-E709 VanDerWaalsContact O-N 3.1Å; W707-E709 PolarHBondContact O-N 3.43Å; E709-K713 WeakPolarHBondContact O-CG 3.36Å
710V83.1Confident72.5Confident45 Ų4597.6 Ų97.627%0.27350%0.502SS..Hα-helixtrans-85.8-37.1176.9-176.90000110.9L692 L696 W707 R708L692-V710 HydrophobicContact CD1-CG1 4.15Å; L696-V710 HydrophobicContact CD2-CB 3.81Å; L696-V710 HydrophobicContact CD2-CG1 3.98Å; L696-V710 HydrophobicContact CD2-CG2 3.78Å; L696-V710 HydrophobicContact CG-CG1 4.46Å; W707-V710 WeakPolarHBondContact O-CB 3.41Å; W707-V710 PolarHBondContact O-N 3.33Å; R708-V710 PolarHBondContact O-N 3.15Å
711I82Confident71.4Confident42 Ų4299.6 Ų99.622%0.21550%0.495CS..Hα-helixtrans-66-42.6176.8-64.3162.2000111L630 L692 W707 R708L630-I711 HydrophobicContact CB-CD1 4.31Å; L630-I711 HydrophobicContact CD1-CD1 4.15Å; L630-I711 HydrophobicContact CD2-CD1 4.36Å; L692-I711 HydrophobicContact CD1-CG1 4.17Å; L692-I711 HydrophobicContact CD2-CG1 3.95Å; W707-I711 HydrophobicContact CB-CD1 4.29Å; W707-I711 VanDerWaalsContact O-CG1 3.29Å; W707-I711 WeakPolarHBondContact O-CG1 3.45Å; W707-I711 PolarHBondContact O-N 2.95Å; R708-I711 PolarHBondContact O-N 3.31Å
712Q67.9Low70.1Confident132 Ų132102.2 Ų102.262%0.61751%0.507SS*.SBendtrans-82.6-12.9-174.3-70.7-178.3-6.500114.6R708 P714R708-Q712 VanDerWaalsContact O-CB 3.28Å; R708-Q712 WeakPolarHBondContact O-CB 3.44Å; R708-Q712 VanDerWaalsContact O-CG 3.31Å; R708-Q712 WeakPolarHBondContact O-CG 3.32Å; R708-Q712 PolarHBondContact O-N 3.05Å; Q712-P714 WeakPolarHBondContact O-CD 3.48Å; Q712-P714 VanDerWaalsContact O-N 3.08Å
713K53.3Low68.6Low162 Ų162106.9 Ų106.970%0.70453%0.527SS*.SBendtrans-62.9113.1172.1-85.9177.2-175.8-176.80107.7E709E709-K713 WeakPolarHBondContact O-CG 3.36Å
714P42.7Very low67.1Low100 Ų100110.6 Ų110.665%0.64953%0.534SS*.  trans-57.6156.1-178.7-20.131.9000110.1Q712 S716Q712-P714 WeakPolarHBondContact O-CD 3.48Å; Q712-P714 VanDerWaalsContact O-N 3.08Å; P714-S716 PolarHBondContact O-N 3.45Å
715R44.4Very low65.2Low231 Ų231116.9 Ų116.987%0.87256%0.564SS**  trans-58.463152.7-68.9177.4174.2174.6-1.8110Q717R715-Q717 VanDerWaalsContact C-N 3.31Å
716S32.3Very low63.4Low90 Ų90116.7 Ų116.763%0.62957%0.565SS**  trans-99.859.6170.464.60000108P714P714-S716 PolarHBondContact O-N 3.45Å
717Q30.9Very low61Low186 Ų186118.3 Ų118.387%0.86958%0.577SS**  trans176.977.3166.9-102.3172.726.600105.8R715R715-Q717 VanDerWaalsContact C-N 3.31Å
718L30Very low58.1Low243 Ų243129 Ų129100%1.27263%0.629SS**  trans-1680147.8-99.3163.4000107.9

Retrieved 718 of 718 residues in 1081.2 ms (Link to these results)

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