G4LXB6_SCHMA Loading...

RNA helicase

AlphaFold DB , UniProt , Accession G4LXB6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 392 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M29.4Very low53.7Low232 Ų23295.8 Ų95.8100%1.14353%0.527SS*.  01210-73.8166.518000105.7N3M1-N3 PolarHBondContact O-N 3.5Å
2S32.2Very low56.7Low107 Ų10790.2 Ų90.275%0.74850%0.497SS*.  trans-63.9118.2-179.545.30000108.8S4S2-S4 PolarHBondContact O-N 2.84Å
3N39.1Very low59.4Low108 Ų10889.4 Ų89.458%0.57849%0.492SS*.  trans-67.480.1163.6-79.416.3000107.6M1 V5M1-N3 PolarHBondContact O-N 3.5Å; N3-V5 PolarHBondContact O-N 3.41Å
4S40.5Very low61.6Low80 Ų8085.3 Ų85.356%0.55947%0.466SS*.  trans-68.7108.5153.447.10000105.2S2 E6S2-S4 PolarHBondContact O-N 2.84Å; S4-E6 PolarHBondContact O-N 3.1Å
5V50.4Low63.5Low44 Ų4489.7 Ų89.727%0.26748%0.482SS..  trans-47.2109.8155.8174.90000105.2N3 E9 I10 A44N3-V5 PolarHBondContact O-N 3.41Å; V5-E9 WeakPolarHBondContact CA-OE2 3.36Å; V5-E9 HydrophobicContact CG1-CB 3.62Å; V5-E9 HydrophobicContact CG1-CG 4.37Å; V5-E9 WeakPolarHBondContact CG1-OE2 3.06Å; V5-I10 HydrophobicContact CB-CD1 4.48Å; V5-I10 HydrophobicContact CG1-CD1 3.62Å; V5-I10 HydrophobicContact CG1-CG1 3.61Å; V5-A44 HydrophobicContact CB-CB 4Å; V5-A44 HydrophobicContact CG2-CB 4.32Å
6E51.7Low65.2Low125 Ų12589.9 Ų89.958%0.58448%0.479SS*.  trans-61.9145.7-178.9-74-170.1167.800108.1S4 S8 E9S4-E6 PolarHBondContact O-N 3.1Å; E6-S8 PolarHBondContact O-N 3.19Å; E6-E9 HydrophobicContact CB-CG 4.28Å; E6-E9 VanDerWaalsContact O-CB 3.26Å; E6-E9 WeakPolarHBondContact O-CB 3.32Å; E6-E9 WeakPolarHBondContact O-CG 3.22Å; E6-E9 PolarHBondContact O-N 3.31Å
7D55.2Low66.8Low116 Ų11688.2 Ų88.262%0.6247%0.472SS*.G310 helixtrans-54.5-20.7-176.7-76.4-4.9000113.1E9 R48D7-E9 VanDerWaalsContact C-N 3.28Å; D7-E9 PolarHBondContact O-N 2.65Å; D7-R48 IonicContact OD1-CZ 3.41Å; D7-R48 IonicContact OD1-NH2 3.1Å; D7-R48 PolarHBondContact OD1-NH2 2.59Å
8S55Low68.3Low68 Ų6883.8 Ų83.848%0.47645%0.449SS..G310 helixtrans-68.9-17.1175.947.40000115.4E6 K223E6-S8 PolarHBondContact O-N 3.19Å; S8-K223 WeakPolarHBondContact O-CE 3.11Å; S8-K223 PolarHBondContact O-NZ 3.16Å
9E72Confident69.5Low43 Ų4384.2 Ų84.220%0.20145%0.451CS..G310 helixtrans-88.9-20.5-170.9-62.3-160.3167.200113.1V5 E6 D7 K223 E226V5-E9 WeakPolarHBondContact CA-OE2 3.36Å; V5-E9 HydrophobicContact CG1-CB 3.62Å; V5-E9 HydrophobicContact CG1-CG 4.37Å; V5-E9 WeakPolarHBondContact CG1-OE2 3.06Å; E6-E9 HydrophobicContact CB-CG 4.28Å; E6-E9 VanDerWaalsContact O-CB 3.26Å; E6-E9 WeakPolarHBondContact O-CB 3.32Å; E6-E9 WeakPolarHBondContact O-CG 3.22Å; E6-E9 PolarHBondContact O-N 3.31Å; D7-E9 VanDerWaalsContact C-N 3.28Å; D7-E9 PolarHBondContact O-N 2.65Å; E9-K223 PolarHBondContact O-N 2.94Å; E9-K223 VanDerWaalsContact O-N 3.08Å; E9-E226 WeakPolarHBondContact CA-OE2 3.34Å; E9-E226 WeakPolarHBondContact CB-OE2 3.33Å; E9-E226 HydrophobicContact CG-CG 4.46Å; E9-E226 WeakPolarHBondContact CG-OE1 3.32Å; E9-E226 WeakPolarHBondContact CG-OE2 3.25Å
10I80.5Confident70.6Confident20 Ų2080.2 Ų80.210%0.10343%0.431CS..EExtended strand (participates in β ladder)trans-103.3118-173.1-63.2172.8000110.4V5 T12 I220 L221V5-I10 HydrophobicContact CB-CD1 4.48Å; V5-I10 HydrophobicContact CG1-CD1 3.62Å; V5-I10 HydrophobicContact CG1-CG1 3.61Å; I10-T12 HydrophobicContact CG2-CG2 4.38Å; I10-I220 HydrophobicContact CG2-CG2 3.73Å; I10-L221 CarbonylContact C-O 3.57Å; I10-L221 WeakPolarHBondContact CA-O 3.42Å
11E84.8Confident71.8Confident111 Ų11176.4 Ų76.452%0.51941%0.41SS..EExtended strand (participates in β ladder)trans-85.8111.3168.2-70.2-177.7-179.300109.2L221 K223E11-L221 HydrophobicContact CB-CB 4.34Å; E11-L221 PolarHBondContact N-O 3.28Å; E11-L221 PolarHBondContact O-N 3.35Å; E11-K223 HydrophobicContact CG-CG 3.98Å
12T89.4Confident74.8Confident28 Ų2870.3 Ų70.317%0.17238%0.379CS..EExtended strand (participates in β ladder)trans-134.9145.1-179.81800000113I10 Y14 H15 Q219I10-T12 HydrophobicContact CG2-CG2 4.38Å; T12-Y14 VanDerWaalsContact CG2-O 3.28Å; T12-Y14 WeakPolarHBondContact CG2-O 3.01Å; T12-Y14 PolarHBondContact OG1-N 3.35Å; T12-Y14 PolarHBondContact OG1-O 3.01Å; T12-H15 PolarHBondContact O-CE1 2.78Å; T12-Q219 WeakPolarHBondContact CA-O 3.14Å; T12-Q219 WeakPolarHBondContact CB-O 3.42Å; T12-Q219 PolarHBondContact OG1-O 2.92Å
13N92Very high77.8Confident80 Ų8070.6 Ų70.643%0.42837%0.367SS..SBendtrans-94.64.616867.6-8.3000112.6P217 V218 Q219N13-P217 PolarHBondContact ND2-O 3.11Å; N13-V218 VanDerWaalsContact OD1-CA 3.25Å; N13-V218 WeakPolarHBondContact OD1-CA 3.28Å; N13-Q219 PolarHBondContact N-O 2.9Å; N13-Q219 PolarHBondContact OD1-N 2.95Å
14Y90.6Very high80.4Confident32 Ų3265.5 Ų65.513%0.12534%0.34CS..  trans-127.9107.4175.1-168.1-85.9000109T12 E16 K51 P52 E55 V218T12-Y14 VanDerWaalsContact CG2-O 3.28Å; T12-Y14 WeakPolarHBondContact CG2-O 3.01Å; T12-Y14 PolarHBondContact OG1-N 3.35Å; T12-Y14 PolarHBondContact OG1-O 3.01Å; Y14-E16 HydrophobicContact CD1-CB 4.23Å; Y14-E16 HydrophobicContact CE1-CB 3.67Å; Y14-K51 HydrophobicContact CE1-CG 4.36Å; Y14-K51 WeakPolarHBondContact OH-CG 3.23Å; Y14-P52 HydrophobicContact CD1-CB 4.36Å; Y14-P52 HydrophobicContact CD1-CG 4.13Å; Y14-P52 HydrophobicContact CD2-CB 4.17Å; Y14-P52 HydrophobicContact CE1-CB 4.2Å; Y14-P52 HydrophobicContact CE1-CG 4.13Å; Y14-P52 HydrophobicContact CE2-CB 4.01Å; Y14-P52 HydrophobicContact CG-CB 4.34Å; Y14-P52 HydrophobicContact CG-CG 4.44Å; Y14-E55 PolarHBondContact OH-OE2 3Å; Y14-V218 VanDerWaalsContact CB-CG1 3.41Å; Y14-V218 HydrophobicContact CD2-CG2 3.87Å; Y14-V218 HydrophobicContact CG-CG1 4.08Å; Y14-V218 HydrophobicContact CG-CG2 4.25Å
15H89.4Confident82.9Confident152 Ų15268 Ų6870%0.70435%0.347SS*.  trans-94.9-4.3-167-58.7-64.1000114.5T12 V17T12-H15 PolarHBondContact O-CE1 2.78Å; H15-V17 PolarHBondContact O-N 2.78Å
16E91.1Very high85.1Confident93 Ų9366.7 Ų66.744%0.43534%0.338SS..  trans-72.6129.7176.3-174178.515400110.3Y14 V18 K51Y14-E16 HydrophobicContact CD1-CB 4.23Å; Y14-E16 HydrophobicContact CE1-CB 3.67Å; E16-V18 HydrophobicContact CG-CG2 4.37Å; E16-K51 VanDerWaalsContact OE1-CE 3.32Å; E16-K51 WeakPolarHBondContact OE1-CE 3.32Å
17V92.7Very high87.2Confident61 Ų6163.4 Ų63.437%0.3732%0.322SS..  trans-122.1124.3179.8-1780000108.2H15 Q47 R48H15-V17 PolarHBondContact O-N 2.78Å; V17-Q47 HydrophobicContact CG1-CB 3.87Å; V17-R48 HydrophobicContact CG2-CG 4.17Å
18V92.9Very high89.2Confident9 Ų962.6 Ų62.66%0.05532%0.323CS..  trans-112.7108.6-179-171.60000109.8E16 G20 K23 L24 Q47 K51E16-V18 HydrophobicContact CG-CG2 4.37Å; V18-G20 PolarHBondContact O-N 3.41Å; V18-K23 HydrophobicContact CG1-CB 3.54Å; V18-L24 HydrophobicContact CB-CD2 3.77Å; V18-L24 HydrophobicContact CB-CG 4.34Å; V18-L24 HydrophobicContact CG1-CD2 3.7Å; V18-L24 HydrophobicContact CG1-CG 3.79Å; V18-L24 HydrophobicContact CG2-CD2 3.92Å; V18-Q47 PolarHBondContact N-O 2.88Å; V18-Q47 WeakPolarHBondContact O-CA 3.14Å; V18-Q47 WeakPolarHBondContact O-CB 3.37Å; V18-Q47 VanDerWaalsContact O-CG 3.3Å; V18-Q47 WeakPolarHBondContact O-CG 3.38Å; V18-K51 HydrophobicContact CG2-CB 4.19Å; V18-K51 HydrophobicContact CG2-CG 4.33Å
19D91.1Very high91.2Very high90 Ų9063.7 Ų63.748%0.48132%0.321SS..  trans-83-3.3-170.663.2-21000115.2K23 P42D19-K23 VanDerWaalsContact CG-NZ 3.28Å; D19-K23 WeakPolarHBondContact OD1-CD 3.21Å; D19-K23 WeakPolarHBondContact OD1-CE 3.1Å; D19-K23 IonicContact OD1-NZ 3.28Å; D19-K23 PolarHBondContact OD1-NZ 3.1Å; D19-K23 IonicContact OD2-NZ 3.8Å; D19-K23 PolarHBondContact OD2-NZ 3.34Å; D19-K23 VanDerWaalsContact OD2-NZ 3.1Å; D19-P42 WeakPolarHBondContact O-CD 3.35Å
20G92.5Very high92.4Very high5 Ų561.7 Ų61.75%0.05231%0.311CS..  trans-144.2142.518000000112.5V18 E22 K23V18-G20 PolarHBondContact O-N 3.41Å; G20-E22 PolarHBondContact O-N 3.44Å; G20-K23 PolarHBondContact O-N 3.19Å
21F94.8Very high93.2Very high0 Ų062.6 Ų62.60%032%0.316CS..G310 helixtrans-65.4-30.8179.7-70.3-67.6000112.3K23 L24 L31 I34 P42 I50 I75F21-K23 PolarHBondContact O-N 3.17Å; F21-L24 HydrophobicContact CD1-CD1 4.15Å; F21-L24 WeakPolarHBondContact O-CB 3.48Å; F21-L24 PolarHBondContact O-N 2.6Å; F21-L31 HydrophobicContact CB-CD1 3.68Å; F21-I34 HydrophobicContact CD1-CD1 4.25Å; F21-I34 HydrophobicContact CD1-CG2 4.15Å; F21-I34 HydrophobicContact CD2-CG2 3.81Å; F21-I34 HydrophobicContact CE1-CG2 4.22Å; F21-I34 HydrophobicContact CE2-CG2 3.89Å; F21-I34 HydrophobicContact CG-CG2 3.95Å; F21-I34 HydrophobicContact CZ-CG2 4.1Å; F21-P42 HydrophobicContact CD1-CB 4.44Å; F21-P42 HydrophobicContact CE1-CB 3.93Å; F21-P42 HydrophobicContact CE2-CB 4.25Å; F21-P42 HydrophobicContact CZ-CB 3.83Å; F21-I50 HydrophobicContact CD1-CD1 4.45Å; F21-I50 HydrophobicContact CE1-CD1 3.94Å; F21-I75 HydrophobicContact CE1-CD1 3.88Å
22E93.8Very high93.7Very high105 Ų10564.7 Ų64.749%0.49132%0.319SS..G310 helixtrans-66.9-19.9176.867.9-75.7176.700113.7G20 L24 L31 Y35G20-E22 PolarHBondContact O-N 3.44Å; E22-L24 VanDerWaalsContact C-N 3.35Å; E22-L31 HydrophobicContact CB-CD2 4.47Å; E22-Y35 PolarHBondContact OE2-OH 3.33Å; E22-Y35 VanDerWaalsContact OE2-OH 3.14Å
23K94Very high94.1Very high112 Ų11263.3 Ų63.349%0.48731%0.311SS..G310 helixtrans-89.2-0.2178.7-62.2-179.2-173.9176.40113.4V18 D19 G20 F21V18-K23 HydrophobicContact CG1-CB 3.54Å; D19-K23 VanDerWaalsContact CG-NZ 3.28Å; D19-K23 WeakPolarHBondContact OD1-CD 3.21Å; D19-K23 WeakPolarHBondContact OD1-CE 3.1Å; D19-K23 IonicContact OD1-NZ 3.28Å; D19-K23 PolarHBondContact OD1-NZ 3.1Å; D19-K23 IonicContact OD2-NZ 3.8Å; D19-K23 PolarHBondContact OD2-NZ 3.34Å; D19-K23 VanDerWaalsContact OD2-NZ 3.1Å; G20-K23 PolarHBondContact O-N 3.19Å; F21-K23 PolarHBondContact O-N 3.17Å
24L93.6Very high94.3Very high2 Ų259.5 Ų59.51%0.0129%0.291CS..G310 helixtrans-935.3-178-70.8169000113.6V18 F21 E22 L26 I50 K51 I54V18-L24 HydrophobicContact CB-CD2 3.77Å; V18-L24 HydrophobicContact CB-CG 4.34Å; V18-L24 HydrophobicContact CG1-CD2 3.7Å; V18-L24 HydrophobicContact CG1-CG 3.79Å; V18-L24 HydrophobicContact CG2-CD2 3.92Å; F21-L24 HydrophobicContact CD1-CD1 4.15Å; F21-L24 WeakPolarHBondContact O-CB 3.48Å; F21-L24 PolarHBondContact O-N 2.6Å; E22-L24 VanDerWaalsContact C-N 3.35Å; L24-L26 HydrophobicContact CB-CD1 4.17Å; L24-L26 HydrophobicContact CB-CD2 3.95Å; L24-L26 HydrophobicContact CB-CG 3.71Å; L24-L26 HydrophobicContact CD1-CD1 4.31Å; L24-L26 PolarHBondContact O-N 2.93Å; L24-I50 HydrophobicContact CD1-CB 4.1Å; L24-I50 HydrophobicContact CD1-CD1 4.21Å; L24-I50 HydrophobicContact CD1-CG2 3.74Å; L24-I50 HydrophobicContact CD2-CB 4.48Å; L24-I50 HydrophobicContact CD2-CG2 4.31Å; L24-K51 HydrophobicContact CD2-CB 3.94Å; L24-K51 HydrophobicContact CD2-CD 4.29Å; L24-I54 HydrophobicContact CB-CD1 4.5Å; L24-I54 WeakPolarHBondContact O-CD1 3.13Å
25D93.5Very high94.5Very high131 Ų13162.6 Ų62.670%0.70130%0.303SS*.  trans49.341.8-176.8-64.2-34.5000113.3Q79D25-Q79 PolarHBondContact O-NE2 3.28Å
26L96.3Very high94.6Very high18 Ų1858.2 Ų58.29%0.09430%0.299CS..  trans-73.7154.8179.8-58.1178.3000111.5L24 L30 I34 I54 I75 Q79L24-L26 HydrophobicContact CB-CD1 4.17Å; L24-L26 HydrophobicContact CB-CD2 3.95Å; L24-L26 HydrophobicContact CB-CG 3.71Å; L24-L26 HydrophobicContact CD1-CD1 4.31Å; L24-L26 PolarHBondContact O-N 2.93Å; L26-L30 HydrophobicContact CB-CD2 4.46Å; L26-L30 HydrophobicContact CD2-CD2 4.37Å; L26-I34 HydrophobicContact CD1-CD1 3.52Å; L26-I54 HydrophobicContact CD2-CD1 4.26Å; L26-I54 HydrophobicContact CD2-CG2 4.39Å; L26-I75 HydrophobicContact CD1-CG2 4.03Å; L26-I75 HydrophobicContact CD2-CG2 4.3Å; L26-Q79 HydrophobicContact CD2-CB 4.32Å; L26-Q79 HydrophobicContact CD2-CG 4.04Å
27K96.9Very high94.6Very high56 Ų5657.2 Ų57.224%0.24329%0.292CS..  trans-52.5134169.6-69169.9-175.7166.50109.7E29 L30 L31 L78 Q79 I81 L114K27-E29 PolarHBondContact O-N 2.89Å; K27-E29 VanDerWaalsContact O-N 3.15Å; K27-L30 HydrophobicContact CB-CB 4.02Å; K27-L30 WeakPolarHBondContact O-CA 3.39Å; K27-L30 WeakPolarHBondContact O-CB 3.3Å; K27-L30 PolarHBondContact O-N 2.9Å; K27-L31 PolarHBondContact O-N 3.14Å; K27-L78 PolarHBondContact NZ-O 3.33Å; K27-L78 VanDerWaalsContact NZ-O 3.15Å; K27-Q79 WeakPolarHBondContact CE-O 3.44Å; K27-Q79 PolarHBondContact NZ-O 3.14Å; K27-I81 PolarHBondContact NZ-O 3.48Å; K27-L114 HydrophobicContact CD-CD2 4.06Å
28P96.8Very high94.5Very high99 Ų9957 Ų5764%0.64330%0.302SS*.Hα-helixtrans-54.2-37.3-179.1-28.435.7000113.8L31 R32P28-L31 PolarHBondContact O-N 2.94Å; P28-R32 WeakPolarHBondContact O-CB 3.31Å; P28-R32 PolarHBondContact O-N 2.96Å
29E96.6Very high94.4Very high91 Ų9158.5 Ų58.543%0.42531%0.307SS..Hα-helixtrans-67.3-38.6177.4-57.484.3173.300112K27 G33 L114K27-E29 PolarHBondContact O-N 2.89Å; K27-E29 VanDerWaalsContact O-N 3.15Å; E29-G33 PolarHBondContact O-N 3.15Å; E29-L114 HydrophobicContact CB-CD2 3.76Å; E29-L114 HydrophobicContact CB-CG 4.17Å; E29-L114 HydrophobicContact CG-CD2 4.49Å
30L97.5Very high94.3Very high0 Ų062 Ų620%032%0.321CS..Hα-helixtrans-67.1-47.1175.5177.954.5000110.6L26 K27 R32 G33 I34 I75 L78 Q79 I110 L114L26-L30 HydrophobicContact CB-CD2 4.46Å; L26-L30 HydrophobicContact CD2-CD2 4.37Å; K27-L30 HydrophobicContact CB-CB 4.02Å; K27-L30 WeakPolarHBondContact O-CA 3.39Å; K27-L30 WeakPolarHBondContact O-CB 3.3Å; K27-L30 PolarHBondContact O-N 2.9Å; L30-R32 VanDerWaalsContact C-N 3.28Å; L30-R32 PolarHBondContact O-N 3.36Å; L30-G33 CarbonylContact O-C 3.54Å; L30-G33 WeakPolarHBondContact O-CA 3.37Å; L30-G33 PolarHBondContact O-N 3.18Å; L30-I34 HydrophobicContact CD1-CD1 4.4Å; L30-I34 HydrophobicContact CD1-CG1 4.35Å; L30-I34 HydrophobicContact CG-CD1 4.15Å; L30-I34 WeakPolarHBondContact O-CG1 3.03Å; L30-I34 PolarHBondContact O-N 2.95Å; L30-I75 HydrophobicContact CD2-CG2 4.21Å; L30-L78 HydrophobicContact CD1-CB 3.66Å; L30-L78 HydrophobicContact CD1-CD1 3.78Å; L30-L78 HydrophobicContact CD1-CG 4.38Å; L30-L78 HydrophobicContact CD2-CB 4.06Å; L30-L78 HydrophobicContact CG-CB 4.49Å; L30-Q79 HydrophobicContact CD2-CB 3.79Å; L30-I110 HydrophobicContact CD1-CG2 3.61Å; L30-L114 HydrophobicContact CB-CD1 4.2Å; L30-L114 HydrophobicContact CD1-CD1 4.38Å
31L96.8Very high94.2Very high39 Ų3970.1 Ų70.120%0.20435%0.354CS..Hα-helixtrans-58.7-42.8178-172.963.6000111.1F21 E22 K27 P28 G33 I34 Y35F21-L31 HydrophobicContact CB-CD1 3.68Å; E22-L31 HydrophobicContact CB-CD2 4.47Å; K27-L31 PolarHBondContact O-N 3.14Å; P28-L31 PolarHBondContact O-N 2.94Å; L31-G33 VanDerWaalsContact C-N 3.31Å; L31-G33 PolarHBondContact O-N 3.48Å; L31-I34 PolarHBondContact O-N 2.97Å; L31-Y35 HydrophobicContact CD1-CD2 4.25Å; L31-Y35 HydrophobicContact CD1-CE2 3.55Å; L31-Y35 HydrophobicContact CD2-CE2 4.22Å; L31-Y35 HydrophobicContact CG-CD2 4.09Å; L31-Y35 HydrophobicContact CG-CE2 3.6Å; L31-Y35 WeakPolarHBondContact O-CD2 3.37Å; L31-Y35 PolarHBondContact O-N 3.49Å; L31-Y35 VanDerWaalsContact O-N 3.16Å
32R96.2Very high94Very high155 Ų15570.4 Ų70.459%0.58536%0.356SS*.Hα-helixtrans-59.4-40.9172.5-171.3-177179.3172.51112.4P28 L30 G36 Y113P28-R32 WeakPolarHBondContact O-CB 3.31Å; P28-R32 PolarHBondContact O-N 2.96Å; L30-R32 VanDerWaalsContact C-N 3.28Å; L30-R32 PolarHBondContact O-N 3.36Å; R32-G36 PolarHBondContact O-N 2.83Å; R32-Y113 HydrophobicContact CB-CD2 4.05Å; R32-Y113 HydrophobicContact CB-CE2 4.29Å; R32-Y113 HydrophobicContact CG-CD2 3.83Å; R32-Y113 HydrophobicContact CG-CE1 4.49Å; R32-Y113 HydrophobicContact CG-CE2 3.61Å; R32-Y113 HydrophobicContact CG-CG 4.35Å; R32-Y113 VanDerWaalsContact CZ-CE1 3.5Å; R32-Y113 VanDerWaalsContact NE-CZ 3.34Å
33G96.6Very high93.8Very high0 Ų067 Ų670%034%0.344CS..Hα-helixtrans-67.5-35.7177.100000113.9E29 L30 L31 G36 Y37 I110E29-G33 PolarHBondContact O-N 3.15Å; L30-G33 CarbonylContact O-C 3.54Å; L30-G33 WeakPolarHBondContact O-CA 3.37Å; L30-G33 PolarHBondContact O-N 3.18Å; L31-G33 VanDerWaalsContact C-N 3.31Å; L31-G33 PolarHBondContact O-N 3.48Å; G33-G36 PolarHBondContact O-N 2.84Å; G33-Y37 WeakPolarHBondContact O-CB 3.48Å; G33-Y37 PolarHBondContact O-N 2.77Å; G33-I110 VanDerWaalsContact CA-O 3.31Å; G33-I110 WeakPolarHBondContact CA-O 3.31Å
34I95.9Very high93.5Very high0 Ų062.7 Ų62.70%033%0.329CS..Hα-helixtrans-61.5-52.3174.3-68.9167.8000110.3F21 L26 L30 L31 Y37 G38 Y39 I75 I110F21-I34 HydrophobicContact CD1-CD1 4.25Å; F21-I34 HydrophobicContact CD1-CG2 4.15Å; F21-I34 HydrophobicContact CD2-CG2 3.81Å; F21-I34 HydrophobicContact CE1-CG2 4.22Å; F21-I34 HydrophobicContact CE2-CG2 3.89Å; F21-I34 HydrophobicContact CG-CG2 3.95Å; F21-I34 HydrophobicContact CZ-CG2 4.1Å; L26-I34 HydrophobicContact CD1-CD1 3.52Å; L30-I34 HydrophobicContact CD1-CD1 4.4Å; L30-I34 HydrophobicContact CD1-CG1 4.35Å; L30-I34 HydrophobicContact CG-CD1 4.15Å; L30-I34 WeakPolarHBondContact O-CG1 3.03Å; L30-I34 PolarHBondContact O-N 2.95Å; L31-I34 PolarHBondContact O-N 2.97Å; I34-Y37 WeakPolarHBondContact O-CB 3.48Å; I34-Y37 PolarHBondContact O-N 3.38Å; I34-G38 PolarHBondContact O-N 2.85Å; I34-Y39 HydrophobicContact CG2-CD2 4.24Å; I34-Y39 PolarHBondContact O-N 3.09Å; I34-I75 HydrophobicContact CD1-CD1 3.77Å; I34-I75 HydrophobicContact CD1-CG1 3.85Å; I34-I75 HydrophobicContact CD1-CG2 3.96Å; I34-I75 HydrophobicContact CG1-CD1 3.95Å; I34-I75 HydrophobicContact CG1-CG1 3.96Å; I34-I110 HydrophobicContact CG1-CG2 3.89Å
35Y94.9Very high93.3Very high96 Ų9663.1 Ų63.138%0.37633%0.331SS..Hα-helixtrans-66.5-37.7177.4-66.2-58.5000112.2E22 L31 Y37 G38 Y39E22-Y35 PolarHBondContact OE2-OH 3.33Å; E22-Y35 VanDerWaalsContact OE2-OH 3.14Å; L31-Y35 HydrophobicContact CD1-CD2 4.25Å; L31-Y35 HydrophobicContact CD1-CE2 3.55Å; L31-Y35 HydrophobicContact CD2-CE2 4.22Å; L31-Y35 HydrophobicContact CG-CD2 4.09Å; L31-Y35 HydrophobicContact CG-CE2 3.6Å; L31-Y35 WeakPolarHBondContact O-CD2 3.37Å; L31-Y35 PolarHBondContact O-N 3.49Å; L31-Y35 VanDerWaalsContact O-N 3.16Å; Y35-Y37 PolarHBondContact O-N 2.76Å; Y35-G38 WeakPolarHBondContact O-CA 3.48Å; Y35-G38 PolarHBondContact O-N 2.84Å; Y35-Y39 WeakPolarHBondContact CD1-O 3.2Å
36G92.2Very high93.3Very high61 Ų6157.1 Ų57.163%0.62930%0.299SS*.Hα-helixtrans-65.1-24.5175.800000114.1R32 G33 G38R32-G36 PolarHBondContact O-N 2.83Å; G33-G36 PolarHBondContact O-N 2.84Å; G36-G38 VanDerWaalsContact C-N 3.3Å
37Y91.7Very high93.1Very high72 Ų7258.4 Ų58.428%0.28231%0.305SS..Hα-helixtrans-73.7-23.6171-167.1-92000112.5G33 I34 Y35 Y39 R109 I110G33-Y37 WeakPolarHBondContact O-CB 3.48Å; G33-Y37 PolarHBondContact O-N 2.77Å; I34-Y37 WeakPolarHBondContact O-CB 3.48Å; I34-Y37 PolarHBondContact O-N 3.38Å; Y35-Y37 PolarHBondContact O-N 2.76Å; Y37-Y39 AromaticContact CD1-CD2 3.92Å; Y37-Y39 HydrophobicContact CD1-CD2 3.92Å; Y37-Y39 HydrophobicContact CD1-CE1 4.19Å; Y37-Y39 AromaticContact CD1-CE2 3.51Å; Y37-Y39 HydrophobicContact CD1-CE2 3.51Å; Y37-Y39 HydrophobicContact CD1-CG 4.42Å; Y37-Y39 AromaticContact CD1-CZ 3.64Å; Y37-Y39 HydrophobicContact CE1-CE1 4.28Å; Y37-Y39 AromaticContact CE1-CE2 3.92Å; Y37-Y39 HydrophobicContact CE1-CE2 3.92Å; Y37-Y39 AromaticContact CE1-CZ 3.65Å; Y37-Y39 WeakPolarHBondContact CE1-OH 3.42Å; Y37-Y39 HydrophobicContact CG-CE2 4.29Å; Y37-R109 HydrophobicContact CD2-CB 3.55Å; Y37-R109 HydrophobicContact CE2-CB 3.74Å; Y37-R109 HydrophobicContact CE2-CG 4.39Å; Y37-I110 HydrophobicContact CD2-CG1 3.94Å; Y37-I110 HydrophobicContact CG-CG1 4.06Å
38G90.5Very high93Very high57 Ų5756.2 Ų56.259%0.58830%0.295SS*.THydrogen-bonded Turntrans106.112.9-177.800000114.8I34 Y35 G36I34-G38 PolarHBondContact O-N 2.85Å; Y35-G38 WeakPolarHBondContact O-CA 3.48Å; Y35-G38 PolarHBondContact O-N 2.84Å; G36-G38 VanDerWaalsContact C-N 3.3Å
39Y90.6Very high92.9Very high40 Ų4051.5 Ų51.516%0.15727%0.265CS..  trans-82.3123.6172.3-66.6-46000110.8I34 Y35 Y37 A71 I110I34-Y39 HydrophobicContact CG2-CD2 4.24Å; I34-Y39 PolarHBondContact O-N 3.09Å; Y35-Y39 WeakPolarHBondContact CD1-O 3.2Å; Y37-Y39 AromaticContact CD1-CD2 3.92Å; Y37-Y39 HydrophobicContact CD1-CD2 3.92Å; Y37-Y39 HydrophobicContact CD1-CE1 4.19Å; Y37-Y39 AromaticContact CD1-CE2 3.51Å; Y37-Y39 HydrophobicContact CD1-CE2 3.51Å; Y37-Y39 HydrophobicContact CD1-CG 4.42Å; Y37-Y39 AromaticContact CD1-CZ 3.64Å; Y37-Y39 HydrophobicContact CE1-CE1 4.28Å; Y37-Y39 AromaticContact CE1-CE2 3.92Å; Y37-Y39 HydrophobicContact CE1-CE2 3.92Å; Y37-Y39 AromaticContact CE1-CZ 3.65Å; Y37-Y39 WeakPolarHBondContact CE1-OH 3.42Å; Y37-Y39 HydrophobicContact CG-CE2 4.29Å; Y39-A71 HydrophobicContact CE2-CB 3.61Å; Y39-A71 WeakPolarHBondContact OH-CB 3.18Å; Y39-I110 HydrophobicContact CE2-CD1 4Å
40E88.1Confident92.9Very high164 Ų16447.2 Ų47.277%0.76624%0.244SC*.  trans-100.1-44.8178.2-63.7-177.817700112.3
41K90.2Very high92.9Very high174 Ų17448.8 Ų48.876%0.75725%0.251SS*.SBendtrans-132144.7179.8-67.1-172.3178.5-174.70111
42P92.3Very high92.9Very high6 Ų647 Ų474%0.03924%0.242CC..  trans-67.8139175.628.1-34.5000111.3D19 F21 Q46 Q47D19-P42 WeakPolarHBondContact O-CD 3.35Å; F21-P42 HydrophobicContact CD1-CB 4.44Å; F21-P42 HydrophobicContact CE1-CB 3.93Å; F21-P42 HydrophobicContact CE2-CB 4.25Å; F21-P42 HydrophobicContact CZ-CB 3.83Å; P42-Q46 VanDerWaalsContact CA-OE1 3.28Å; P42-Q46 HydrophobicContact CB-CB 3.76Å; P42-Q47 HydrophobicContact CB-CG 3.79Å; P42-Q47 HydrophobicContact CG-CG 3.63Å; P42-Q47 PolarHBondContact O-NE2 3.41Å
43S88.8Confident92.9Very high35 Ų3539.6 Ų39.625%0.24521%0.214CC..  trans-68.5164.3169.671.70000111.8I45 Q46 Q47 T67S43-I45 PolarHBondContact O-N 2.77Å; S43-I45 VanDerWaalsContact O-N 3.11Å; S43-I45 WeakPolarHBondContact OG-CG2 3.38Å; S43-Q46 WeakPolarHBondContact O-CA 3.41Å; S43-Q46 WeakPolarHBondContact O-CB 3.22Å; S43-Q46 PolarHBondContact O-N 2.98Å; S43-Q46 WeakPolarHBondContact OG-CG 3.43Å; S43-Q46 PolarHBondContact OG-N 2.7Å; S43-Q47 VanDerWaalsContact O-CG 3.31Å; S43-Q47 WeakPolarHBondContact O-CG 2.87Å; S43-Q47 PolarHBondContact O-N 2.78Å; S43-T67 VanDerWaalsContact CB-O 3.25Å; S43-T67 WeakPolarHBondContact CB-O 3.46Å; S43-T67 PolarHBondContact OG-O 2.94Å
44A87.6Confident92.9Very high21 Ų2140.9 Ų40.917%0.17422%0.221CC..Hα-helixtrans-52.1-38.2-17900000113.7V5 R48V5-A44 HydrophobicContact CB-CB 4Å; V5-A44 HydrophobicContact CG2-CB 4.32Å; A44-R48 PolarHBondContact O-NH1 2.92Å
45I89.1Confident92.9Very high10 Ų1045.4 Ų45.45%0.05124%0.242CC..Hα-helixtrans-72.3-38.6175.4-170.661.6000111.9S43 R48 A49 A61 A63 T67 I220S43-I45 PolarHBondContact O-N 2.77Å; S43-I45 VanDerWaalsContact O-N 3.11Å; S43-I45 WeakPolarHBondContact OG-CG2 3.38Å; I45-R48 PolarHBondContact O-N 2.9Å; I45-A49 HydrophobicContact CD1-CB 4.27Å; I45-A49 HydrophobicContact CG1-CB 4.37Å; I45-A49 WeakPolarHBondContact O-CB 3.26Å; I45-A49 PolarHBondContact O-N 3.3Å; I45-A61 HydrophobicContact CD1-CB 4.12Å; I45-A63 HydrophobicContact CB-CB 4.21Å; I45-A63 HydrophobicContact CD1-CB 4.27Å; I45-A63 HydrophobicContact CG1-CB 3.98Å; I45-A63 HydrophobicContact CG2-CB 4.45Å; I45-T67 WeakPolarHBondContact CG2-O 3.1Å; I45-I220 HydrophobicContact CD1-CB 4.35Å; I45-I220 HydrophobicContact CD1-CG2 3.64Å
46Q93.6Very high92.9Very high5 Ų541.9 Ų41.92%0.02324%0.235CC..Hα-helixtrans-65.8-39.5178.3-72168-7.200111.8P42 S43 R48 I50 G68 T72P42-Q46 VanDerWaalsContact CA-OE1 3.28Å; P42-Q46 HydrophobicContact CB-CB 3.76Å; S43-Q46 WeakPolarHBondContact O-CA 3.41Å; S43-Q46 WeakPolarHBondContact O-CB 3.22Å; S43-Q46 PolarHBondContact O-N 2.98Å; S43-Q46 WeakPolarHBondContact OG-CG 3.43Å; S43-Q46 PolarHBondContact OG-N 2.7Å; Q46-R48 PolarHBondContact O-N 2.99Å; Q46-I50 HydrophobicContact CB-CD1 3.73Å; Q46-I50 HydrophobicContact CB-CG1 4.29Å; Q46-I50 HydrophobicContact CG-CD1 4.09Å; Q46-I50 WeakPolarHBondContact O-CB 3.38Å; Q46-I50 VanDerWaalsContact O-CG1 3.29Å; Q46-I50 WeakPolarHBondContact O-CG1 3.23Å; Q46-I50 PolarHBondContact O-N 3.25Å; Q46-G68 PolarHBondContact NE2-O 3.15Å; Q46-T72 VanDerWaalsContact CG-OG1 3.24Å; Q46-T72 WeakPolarHBondContact CG-OG1 3.43Å
47Q93.3Very high93.1Very high46 Ų4643.2 Ų43.222%0.21522%0.221CC..Hα-helixtrans-59.6-28.2178.3-67.2173.218.600113.1V17 V18 P42 S43V17-Q47 HydrophobicContact CG1-CB 3.87Å; V18-Q47 PolarHBondContact N-O 2.88Å; V18-Q47 WeakPolarHBondContact O-CA 3.14Å; V18-Q47 WeakPolarHBondContact O-CB 3.37Å; V18-Q47 VanDerWaalsContact O-CG 3.3Å; V18-Q47 WeakPolarHBondContact O-CG 3.38Å; P42-Q47 HydrophobicContact CB-CG 3.79Å; P42-Q47 HydrophobicContact CG-CG 3.63Å; P42-Q47 PolarHBondContact O-NE2 3.41Å; S43-Q47 VanDerWaalsContact O-CG 3.31Å; S43-Q47 WeakPolarHBondContact O-CG 2.87Å; S43-Q47 PolarHBondContact O-N 2.78Å
48R93.5Very high93.4Very high9 Ų940.7 Ų40.73%0.03421%0.212CC..Hα-helixtrans-103.4-37.5-176.7-69.7168.6173.772.61.2113.2D7 V17 A44 I45 Q46 P52 I220D7-R48 IonicContact OD1-CZ 3.41Å; D7-R48 IonicContact OD1-NH2 3.1Å; D7-R48 PolarHBondContact OD1-NH2 2.59Å; V17-R48 HydrophobicContact CG2-CG 4.17Å; A44-R48 PolarHBondContact O-NH1 2.92Å; I45-R48 PolarHBondContact O-N 2.9Å; Q46-R48 PolarHBondContact O-N 2.99Å; R48-P52 WeakPolarHBondContact O-CD 3.49Å; R48-P52 VanDerWaalsContact O-CG 3.23Å; R48-P52 WeakPolarHBondContact O-CG 3.14Å; R48-I220 HydrophobicContact CB-CD1 3.85Å; R48-I220 HydrophobicContact CB-CG1 4.43Å; R48-I220 HydrophobicContact CB-CG2 4.29Å
49A95.5Very high93.7Very high1 Ų138 Ų381%0.00819%0.185CC..Hα-helixtrans-91.8-26.8-169.700000113.5I45 S53 T72 I220I45-A49 HydrophobicContact CD1-CB 4.27Å; I45-A49 HydrophobicContact CG1-CB 4.37Å; I45-A49 WeakPolarHBondContact O-CB 3.26Å; I45-A49 PolarHBondContact O-N 3.3Å; A49-S53 VanDerWaalsContact O-CB 3.22Å; A49-S53 WeakPolarHBondContact O-CB 3.42Å; A49-S53 PolarHBondContact O-N 2.96Å; A49-S53 PolarHBondContact O-OG 3.21Å; A49-T72 HydrophobicContact CB-CG2 3.45Å; A49-T72 VanDerWaalsContact CB-CG2 3.45Å; A49-I220 VanDerWaalsContact CA-CD1 3.43Å; A49-I220 HydrophobicContact CB-CD1 3.55Å
50I96.8Very high94Very high0 Ų036.3 Ų36.30%018%0.178CC..Hα-helixtrans-67.3-47.8-176.8-63.8173.4000110.9F21 L24 Q46 S53 I54 T72 I75F21-I50 HydrophobicContact CD1-CD1 4.45Å; F21-I50 HydrophobicContact CE1-CD1 3.94Å; L24-I50 HydrophobicContact CD1-CB 4.1Å; L24-I50 HydrophobicContact CD1-CD1 4.21Å; L24-I50 HydrophobicContact CD1-CG2 3.74Å; L24-I50 HydrophobicContact CD2-CB 4.48Å; L24-I50 HydrophobicContact CD2-CG2 4.31Å; Q46-I50 HydrophobicContact CB-CD1 3.73Å; Q46-I50 HydrophobicContact CB-CG1 4.29Å; Q46-I50 HydrophobicContact CG-CD1 4.09Å; Q46-I50 WeakPolarHBondContact O-CB 3.38Å; Q46-I50 VanDerWaalsContact O-CG1 3.29Å; Q46-I50 WeakPolarHBondContact O-CG1 3.23Å; Q46-I50 PolarHBondContact O-N 3.25Å; I50-S53 WeakPolarHBondContact O-CB 3.02Å; I50-S53 PolarHBondContact O-N 3.33Å; I50-S53 VanDerWaalsContact O-N 3.14Å; I50-I54 HydrophobicContact CG2-CG2 4Å; I50-I54 WeakPolarHBondContact O-CG1 3.29Å; I50-I54 PolarHBondContact O-N 3.32Å; I50-T72 HydrophobicContact CG1-CG2 3.92Å; I50-I75 HydrophobicContact CD1-CD1 4.01Å; I50-I75 HydrophobicContact CD1-CG2 4.37Å; I50-I75 HydrophobicContact CG2-CG2 4.04Å
51K96.5Very high94.2Very high34 Ų3428.5 Ų28.515%0.14814%0.142CC..Hα-helixtrans-55.7-56.4-177.5-175.763.5166.7169.30113.9Y14 E16 V18 L24 S53 I54 E55Y14-K51 HydrophobicContact CE1-CG 4.36Å; Y14-K51 WeakPolarHBondContact OH-CG 3.23Å; E16-K51 VanDerWaalsContact OE1-CE 3.32Å; E16-K51 WeakPolarHBondContact OE1-CE 3.32Å; V18-K51 HydrophobicContact CG2-CB 4.19Å; V18-K51 HydrophobicContact CG2-CG 4.33Å; L24-K51 HydrophobicContact CD2-CB 3.94Å; L24-K51 HydrophobicContact CD2-CD 4.29Å; K51-S53 PolarHBondContact O-N 3.18Å; K51-I54 HydrophobicContact CD-CD1 4.31Å; K51-I54 WeakPolarHBondContact O-CG1 3.45Å; K51-I54 PolarHBondContact O-N 3.47Å; K51-E55 WeakPolarHBondContact CE-OE1 3.46Å; K51-E55 IonicContact NZ-OE1 3.96Å; K51-E55 PolarHBondContact NZ-OE1 3.11Å; K51-E55 WeakPolarHBondContact O-CG 3.22Å; K51-E55 PolarHBondContact O-N 2.89Å
52P96.6Very high94.2Very high0 Ų020.8 Ų20.80%011%0.108CC..Hα-helixtrans-63.6-30.7176.925-34.1000112.2Y14 R48 E55 G56 R57 V59 V218Y14-P52 HydrophobicContact CD1-CB 4.36Å; Y14-P52 HydrophobicContact CD1-CG 4.13Å; Y14-P52 HydrophobicContact CD2-CB 4.17Å; Y14-P52 HydrophobicContact CE1-CB 4.2Å; Y14-P52 HydrophobicContact CE1-CG 4.13Å; Y14-P52 HydrophobicContact CE2-CB 4.01Å; Y14-P52 HydrophobicContact CG-CB 4.34Å; Y14-P52 HydrophobicContact CG-CG 4.44Å; R48-P52 WeakPolarHBondContact O-CD 3.49Å; R48-P52 VanDerWaalsContact O-CG 3.23Å; R48-P52 WeakPolarHBondContact O-CG 3.14Å; P52-E55 PolarHBondContact O-N 3.14Å; P52-G56 PolarHBondContact O-N 3.42Å; P52-R57 HydrophobicContact CB-CB 4.35Å; P52-R57 WeakPolarHBondContact O-CB 3.38Å; P52-R57 PolarHBondContact O-N 2.83Å; P52-R57 VanDerWaalsContact O-N 3.1Å; P52-V59 HydrophobicContact CB-CG2 4.2Å; P52-V59 HydrophobicContact CG-CG2 4.26Å; P52-V218 HydrophobicContact CB-CB 4.26Å; P52-V218 HydrophobicContact CB-CG1 4.16Å; P52-V218 HydrophobicContact CB-CG2 3.9Å; P52-V218 HydrophobicContact CG-CG1 4.06Å
53S96.8Very high93.7Very high0 Ų020.6 Ų20.60%011%0.108CC..Hα-helixtrans-68-41.9178.1-59.70000112.5A49 I50 K51 E55 G56 S76 R80 Q194 M196A49-S53 VanDerWaalsContact O-CB 3.22Å; A49-S53 WeakPolarHBondContact O-CB 3.42Å; A49-S53 PolarHBondContact O-N 2.96Å; A49-S53 PolarHBondContact O-OG 3.21Å; I50-S53 WeakPolarHBondContact O-CB 3.02Å; I50-S53 PolarHBondContact O-N 3.33Å; I50-S53 VanDerWaalsContact O-N 3.14Å; K51-S53 PolarHBondContact O-N 3.18Å; S53-E55 VanDerWaalsContact C-N 3.3Å; S53-G56 PolarHBondContact O-N 3.2Å; S53-S76 WeakPolarHBondContact CB-OG 3.15Å; S53-R80 WeakPolarHBondContact O-CD 3.34Å; S53-Q194 PolarHBondContact O-NE2 3Å; S53-Q194 PolarHBondContact O-OE1 3.48Å; S53-M196 WeakPolarHBondContact OG-CE 3.16Å
54I96.5Very high92.9Very high28 Ų2820.8 Ų20.814%0.14410%0.104CC..Hα-helixtrans-71.6-27.2177.762.3171.8000112.2L24 L26 I50 K51 G56 Q79L24-I54 HydrophobicContact CB-CD1 4.5Å; L24-I54 WeakPolarHBondContact O-CD1 3.13Å; L26-I54 HydrophobicContact CD2-CD1 4.26Å; L26-I54 HydrophobicContact CD2-CG2 4.39Å; I50-I54 HydrophobicContact CG2-CG2 4Å; I50-I54 WeakPolarHBondContact O-CG1 3.29Å; I50-I54 PolarHBondContact O-N 3.32Å; K51-I54 HydrophobicContact CD-CD1 4.31Å; K51-I54 WeakPolarHBondContact O-CG1 3.45Å; K51-I54 PolarHBondContact O-N 3.47Å; I54-G56 PolarHBondContact O-N 2.86Å; I54-Q79 HydrophobicContact CB-CG 4.04Å; I54-Q79 HydrophobicContact CG2-CB 3.82Å; I54-Q79 HydrophobicContact CG2-CG 3.73Å
55E95.1Very high91.9Very high95 Ų9520.4 Ų20.444%0.44410%0.1SC..THydrogen-bonded Turntrans-71.9-9.5172.5-70.1174.1171.200113.1Y14 K51 P52 S53Y14-E55 PolarHBondContact OH-OE2 3Å; K51-E55 WeakPolarHBondContact CE-OE1 3.46Å; K51-E55 IonicContact NZ-OE1 3.96Å; K51-E55 PolarHBondContact NZ-OE1 3.11Å; K51-E55 WeakPolarHBondContact O-CG 3.22Å; K51-E55 PolarHBondContact O-N 2.89Å; P52-E55 PolarHBondContact O-N 3.14Å; S53-E55 VanDerWaalsContact C-N 3.3Å
56G95.5Very high90.9Very high22 Ų2220.8 Ų20.823%0.22711%0.107CC..THydrogen-bonded Turntrans84.814.6176.700000114.5P52 S53 I54P52-G56 PolarHBondContact O-N 3.42Å; S53-G56 PolarHBondContact O-N 3.2Å; I54-G56 PolarHBondContact O-N 2.86Å
57R96.8Very high89.9Confident88 Ų8822.6 Ų22.633%0.33212%0.119SC..  trans-73.3144.2173.4-63-62.9-56.8-86.61.5110.7P52 Q194 D216 V218P52-R57 HydrophobicContact CB-CB 4.35Å; P52-R57 WeakPolarHBondContact O-CB 3.38Å; P52-R57 PolarHBondContact O-N 2.83Å; P52-R57 VanDerWaalsContact O-N 3.1Å; R57-Q194 WeakPolarHBondContact O-CG 3.42Å; R57-Q194 PolarHBondContact O-NE2 2.71Å; R57-D216 PolarHBondContact NH2-O 3.34Å; R57-D216 IonicContact NH2-OD2 2.73Å; R57-D216 PolarHBondContact NH2-OD2 3.26Å; R57-V218 HydrophobicContact CB-CG2 4.1Å; R57-V218 HydrophobicContact CG-CG2 4.46Å
58D97.6Very high89.3Confident19 Ų1921 Ų2110%0.10211%0.114CC..  trans-60.5139.6166.3-78.4-0.3000109.9I195 M214 H215 P217 V218D58-I195 CarbonylContact C-O 3.53Å; D58-I195 VanDerWaalsContact CA-O 3.23Å; D58-I195 WeakPolarHBondContact CA-O 3.45Å; D58-I195 PolarHBondContact OD1-N 2.99Å; D58-M214 HydrophobicContact CB-CB 4.29Å; D58-M214 HydrophobicContact CB-CE 3.74Å; D58-M214 WeakPolarHBondContact OD2-CA 3.34Å; D58-M214 WeakPolarHBondContact OD2-CB 3.44Å; D58-H215 PolarHBondContact OD2-N 3.44Å; D58-P217 HydrophobicContact CB-CB 3.93Å; D58-P217 CarbonylContact O-C 3.59Å; D58-P217 WeakPolarHBondContact O-CA 3.22Å; D58-V218 PolarHBondContact O-N 3.27Å
59V97Very high89.1Confident2 Ų221.1 Ų21.11%0.01212%0.115CC..EExtended strand (participates in β ladder)trans-133.2127.7-175.3174.60000111.1P52 A61 I195 M196 L197 M214 V218P52-V59 HydrophobicContact CB-CG2 4.2Å; P52-V59 HydrophobicContact CG-CG2 4.26Å; V59-A61 HydrophobicContact CG1-CB 4.15Å; V59-I195 PolarHBondContact N-O 3.03Å; V59-M196 CarbonylContact O-C 3.57Å; V59-M196 WeakPolarHBondContact O-CA 3.18Å; V59-L197 PolarHBondContact O-N 3.49Å; V59-M214 WeakPolarHBondContact O-CE 3.08Å; V59-V218 CarbonylContact C-O 3.54Å; V59-V218 WeakPolarHBondContact CA-O 3.5Å; V59-V218 HydrophobicContact CG2-CB 4.23Å
60I96.2Very high88.9Confident3 Ų322.4 Ų22.42%0.01512%0.123CC..EExtended strand (participates in β ladder)trans-105.4113.1164.7-60.6172.6000107.2L197 M202 A210 M214 P217 V218 Q219 I220 L221I60-L197 WeakPolarHBondContact CA-O 3.33Å; I60-L197 HydrophobicContact CG2-CD2 4.48Å; I60-M202 HydrophobicContact CG2-CE 3.46Å; I60-M202 VanDerWaalsContact CG2-CE 3.46Å; I60-M202 HydrophobicContact CG2-SD 3.98Å; I60-A210 HydrophobicContact CD1-CB 3.69Å; I60-A210 HydrophobicContact CG1-CB 4.4Å; I60-M214 HydrophobicContact CD1-SD 4Å; I60-M214 HydrophobicContact CG1-CE 3.84Å; I60-M214 HydrophobicContact CG1-SD 3.56Å; I60-M214 VanDerWaalsContact CG1-SD 3.56Å; I60-P217 HydrophobicContact CD1-CB 4.07Å; I60-P217 HydrophobicContact CD1-CG 3.73Å; I60-P217 HydrophobicContact CG1-CB 4.03Å; I60-P217 HydrophobicContact CG1-CG 4.26Å; I60-V218 PolarHBondContact N-O 2.96Å; I60-Q219 HydrophobicContact CD1-CG 4.35Å; I60-I220 PolarHBondContact O-N 3.24Å; I60-L221 HydrophobicContact CG2-CD2 3.97Å
61A93.5Very high88.8Confident1 Ų122.5 Ų22.51%0.00812%0.123CC..EExtended strand (participates in β ladder)trans-117.9110.218000000110.4I45 V59 L197 L198 S199I45-A61 HydrophobicContact CD1-CB 4.12Å; V59-A61 HydrophobicContact CG1-CB 4.15Å; A61-L197 PolarHBondContact N-O 2.98Å; A61-L198 HydrophobicContact CB-CD2 4.21Å; A61-L198 HydrophobicContact CB-CG 4.18Å; A61-L198 WeakPolarHBondContact O-CA 3.43Å; A61-S199 PolarHBondContact O-N 3.23Å
62Q90.3Very high88.7Confident11 Ų1120.9 Ų20.95%0.05112%0.116CC..EExtended strand (participates in β ladder)trans-90.5120.5169.2-169.2-178.6-2.900108.9S199 A200 M202 I220 L221 I222Q62-S199 WeakPolarHBondContact CA-O 3.44Å; Q62-A200 PolarHBondContact NE2-O 2.79Å; Q62-M202 HydrophobicContact CB-CE 3.9Å; Q62-M202 HydrophobicContact CB-CG 4.03Å; Q62-M202 HydrophobicContact CG-CE 4.47Å; Q62-M202 HydrophobicContact CG-CG 3.95Å; Q62-I220 PolarHBondContact N-O 2.99Å; Q62-L221 HydrophobicContact CB-CD2 4.03Å; Q62-I222 WeakPolarHBondContact O-CG1 3.16Å; Q62-I222 PolarHBondContact OE1-O 3.39Å
63A81.7Confident88.7Confident3 Ų320.9 Ų20.93%0.02512%0.116CC..  trans-152.8153168.900000111.9I45 T67 K69 S199 A200 I222I45-A63 HydrophobicContact CB-CB 4.21Å; I45-A63 HydrophobicContact CD1-CB 4.27Å; I45-A63 HydrophobicContact CG1-CB 3.98Å; I45-A63 HydrophobicContact CG2-CB 4.45Å; A63-T67 VanDerWaalsContact CB-OG1 3.3Å; A63-T67 WeakPolarHBondContact CB-OG1 3.43Å; A63-K69 HydrophobicContact CB-CD 3.85Å; A63-K69 HydrophobicContact CB-CG 3.78Å; A63-K69 WeakPolarHBondContact O-CD 3.31Å; A63-K69 WeakPolarHBondContact O-CE 3.37Å; A63-K69 PolarHBondContact O-NZ 3Å; A63-S199 PolarHBondContact N-O 3.37Å; A63-A200 VanDerWaalsContact O-CA 3.3Å; A63-A200 WeakPolarHBondContact O-CA 3.33Å; A63-I222 HydrophobicContact CB-CD1 4.41Å
64Q72.4Confident88.7Confident38 Ų3820.9 Ų20.918%0.17812%0.116CC..  trans-60.9164.4176.3-68.9174.2-17.100112.4T67 K69 L227 T228 L229Q64-T67 HydrophobicContact CB-CG2 3.85Å; Q64-T67 PolarHBondContact O-OG1 3.5Å; Q64-K69 WeakPolarHBondContact O-CE 3.42Å; Q64-L227 VanDerWaalsContact NE2-C 3.29Å; Q64-L227 PolarHBondContact NE2-O 3.08Å; Q64-T228 VanDerWaalsContact NE2-C 3.33Å; Q64-T228 PolarHBondContact NE2-O 3.38Å; Q64-L229 HydrophobicContact CB-CD2 4.22Å; Q64-L229 HydrophobicContact CG-CD2 4.29Å
65S66.4Low88.7Confident13 Ų1319.6 Ų19.69%0.09111%0.11CC..THydrogen-bonded Turntrans-60.8138.5172.3-76.30000111.2T67S65-T67 VanDerWaalsContact C-N 3.34Å; S65-T67 PolarHBondContact O-N 2.9Å
66G67.5Low88.8Confident19 Ų1915 Ų1520%0.1969%0.088CC..THydrogen-bonded Turntrans79.76.5175.100000116G68G66-G68 VanDerWaalsContact C-N 3.31Å; G66-G68 PolarHBondContact O-N 3.27Å
67T72.5Confident89Confident43 Ų4314 Ų1426%0.2648%0.078SC..SBendtrans-85.72.7179.357.20000114.3S43 I45 A63 Q64 S65S43-T67 VanDerWaalsContact CB-O 3.25Å; S43-T67 WeakPolarHBondContact CB-O 3.46Å; S43-T67 PolarHBondContact OG-O 2.94Å; I45-T67 WeakPolarHBondContact CG2-O 3.1Å; A63-T67 VanDerWaalsContact CB-OG1 3.3Å; A63-T67 WeakPolarHBondContact CB-OG1 3.43Å; Q64-T67 HydrophobicContact CB-CG2 3.85Å; Q64-T67 PolarHBondContact O-OG1 3.5Å; S65-T67 VanDerWaalsContact C-N 3.34Å; S65-T67 PolarHBondContact O-N 2.9Å
68G81.6Confident89Confident11 Ų119.8 Ų9.811%0.1136%0.062CC..SBendtrans97.214.417900000115.7Q46 G66 T70 A71 T72Q46-G68 PolarHBondContact NE2-O 3.15Å; G66-G68 VanDerWaalsContact C-N 3.31Å; G66-G68 PolarHBondContact O-N 3.27Å; G68-T70 VanDerWaalsContact C-N 3.34Å; G68-T70 PolarHBondContact O-N 2.74Å; G68-A71 PolarHBondContact O-N 3.26Å; G68-T72 PolarHBondContact O-N 3.3Å; G68-T72 PolarHBondContact O-OG1 3.3Å
69K88.2Confident89Confident12 Ų1210.7 Ų10.75%0.0527%0.066CC..Hα-helixtrans-49.9-49.1172.8-71.5-172.2-68.6-170.10113.3A63 Q64 A71 T72 F73 L198A63-K69 HydrophobicContact CB-CD 3.85Å; A63-K69 HydrophobicContact CB-CG 3.78Å; A63-K69 WeakPolarHBondContact O-CD 3.31Å; A63-K69 WeakPolarHBondContact O-CE 3.37Å; A63-K69 PolarHBondContact O-NZ 3Å; Q64-K69 WeakPolarHBondContact O-CE 3.42Å; K69-A71 PolarHBondContact O-N 3.06Å; K69-T72 WeakPolarHBondContact O-CB 3.5Å; K69-T72 PolarHBondContact O-N 2.67Å; K69-T72 VanDerWaalsContact O-N 3.09Å; K69-F73 VanDerWaalsContact O-CD1 3.25Å; K69-F73 WeakPolarHBondContact O-CD1 3.5Å; K69-F73 PolarHBondContact O-N 2.93Å; K69-L198 HydrophobicContact CB-CD2 3.81Å; K69-L198 HydrophobicContact CD-CB 4.47Å; K69-L198 HydrophobicContact CD-CD2 4.48Å; K69-L198 HydrophobicContact CG-CD2 4.16Å
70T92.1Very high89Confident29 Ų2914.2 Ų14.218%0.1788%0.079CC..Hα-helixtrans-59.5-45.3-179.6-53.80000112.6G68 T72 F73 A74 I103 V106G68-T70 VanDerWaalsContact C-N 3.34Å; G68-T70 PolarHBondContact O-N 2.74Å; T70-T72 VanDerWaalsContact C-N 3.31Å; T70-T72 PolarHBondContact O-N 3.37Å; T70-F73 VanDerWaalsContact CA-CE1 3.43Å; T70-F73 HydrophobicContact CG2-CE1 4.35Å; T70-F73 HydrophobicContact CG2-CZ 3.89Å; T70-A74 WeakPolarHBondContact O-CB 3.26Å; T70-A74 PolarHBondContact O-N 2.88Å; T70-I103 HydrophobicContact CG2-CB 4.43Å; T70-I103 HydrophobicContact CG2-CG1 3.76Å; T70-V106 HydrophobicContact CG2-CB 4.2Å; T70-V106 HydrophobicContact CG2-CG1 4.14Å; T70-V106 HydrophobicContact CG2-CG2 4.15Å
71A93.2Very high89Confident1 Ų114.2 Ų14.21%0.0088%0.079CC..Hα-helixtrans-66.4-34.6176.400000112.1Y39 G68 K69 A74 I75 I110Y39-A71 HydrophobicContact CE2-CB 3.61Å; Y39-A71 WeakPolarHBondContact OH-CB 3.18Å; G68-A71 PolarHBondContact O-N 3.26Å; K69-A71 PolarHBondContact O-N 3.06Å; A71-A74 PolarHBondContact O-N 3.32Å; A71-I75 WeakPolarHBondContact O-CB 3.22Å; A71-I75 WeakPolarHBondContact O-CD1 3.33Å; A71-I75 WeakPolarHBondContact O-CG1 2.96Å; A71-I75 PolarHBondContact O-N 2.98Å; A71-I110 HydrophobicContact CB-CD1 4.44Å
72T94.9Very high89.2Confident1 Ų117.5 Ų17.51%0.00610%0.096CC..Hα-helixtrans-55.9-56.7178-56.70000111.5Q46 A49 I50 G68 K69 T70 S76Q46-T72 VanDerWaalsContact CG-OG1 3.24Å; Q46-T72 WeakPolarHBondContact CG-OG1 3.43Å; A49-T72 HydrophobicContact CB-CG2 3.45Å; A49-T72 VanDerWaalsContact CB-CG2 3.45Å; I50-T72 HydrophobicContact CG1-CG2 3.92Å; G68-T72 PolarHBondContact O-N 3.3Å; G68-T72 PolarHBondContact O-OG1 3.3Å; K69-T72 WeakPolarHBondContact O-CB 3.5Å; K69-T72 PolarHBondContact O-N 2.67Å; K69-T72 VanDerWaalsContact O-N 3.09Å; T70-T72 VanDerWaalsContact C-N 3.31Å; T70-T72 PolarHBondContact O-N 3.37Å; T72-S76 WeakPolarHBondContact O-CB 3.41Å; T72-S76 PolarHBondContact O-N 2.88Å; T72-S76 PolarHBondContact O-OG 3.48Å
73F96.4Very high89.4Confident0 Ų019.5 Ų19.50%011%0.109CC..Hα-helixtrans-74.6-31179.669.4-108.6000112.2K69 T70 S76 I77 V92 I103 V166 D168 M196 L198K69-F73 VanDerWaalsContact O-CD1 3.25Å; K69-F73 WeakPolarHBondContact O-CD1 3.5Å; K69-F73 PolarHBondContact O-N 2.93Å; T70-F73 VanDerWaalsContact CA-CE1 3.43Å; T70-F73 HydrophobicContact CG2-CE1 4.35Å; T70-F73 HydrophobicContact CG2-CZ 3.89Å; F73-S76 PolarHBondContact O-N 3.44Å; F73-I77 HydrophobicContact CD2-CD1 3.97Å; F73-I77 WeakPolarHBondContact O-CB 3.32Å; F73-I77 VanDerWaalsContact O-CG1 3.23Å; F73-I77 WeakPolarHBondContact O-CG1 3.33Å; F73-I77 PolarHBondContact O-N 3.27Å; F73-V92 HydrophobicContact CE2-CG1 4.05Å; F73-V92 HydrophobicContact CE2-CG2 4.31Å; F73-V92 HydrophobicContact CZ-CG1 4.24Å; F73-I103 HydrophobicContact CE2-CG2 3.74Å; F73-I103 HydrophobicContact CZ-CD1 3.88Å; F73-I103 HydrophobicContact CZ-CG1 4.07Å; F73-I103 HydrophobicContact CZ-CG2 3.94Å; F73-V166 HydrophobicContact CB-CG1 4.14Å; F73-V166 HydrophobicContact CB-CG2 4.39Å; F73-V166 HydrophobicContact CD1-CG1 4.08Å; F73-V166 HydrophobicContact CD2-CG1 4.18Å; F73-V166 HydrophobicContact CE1-CG1 4.49Å; F73-V166 HydrophobicContact CG-CG1 3.9Å; F73-D168 HydrophobicContact CE1-CB 3.98Å; F73-D168 WeakPolarHBondContact CE1-OD2 3.26Å; F73-D168 HydrophobicContact CZ-CB 4.33Å; F73-M196 HydrophobicContact CB-CE 3.64Å; F73-M196 HydrophobicContact CB-SD 4.26Å; F73-L198 HydrophobicContact CB-CD1 4.19Å; F73-L198 HydrophobicContact CD1-CD1 3.8Å; F73-L198 HydrophobicContact CD1-CD2 3.92Å; F73-L198 HydrophobicContact CD1-CG 4.46Å; F73-L198 HydrophobicContact CG-CD1 4.37Å
74A97.2Very high90.1Very high0 Ų024.2 Ų24.20%014%0.142CC..Hα-helixtrans-62.2-46.8177.100000111.5T70 A71 S76 I77 L78 V106 V107 I110T70-A74 WeakPolarHBondContact O-CB 3.26Å; T70-A74 PolarHBondContact O-N 2.88Å; A71-A74 PolarHBondContact O-N 3.32Å; A74-S76 VanDerWaalsContact C-N 3.33Å; A74-S76 PolarHBondContact O-N 3.26Å; A74-I77 PolarHBondContact O-N 3.41Å; A74-L78 WeakPolarHBondContact O-CB 3.43Å; A74-L78 WeakPolarHBondContact O-CG 3.23Å; A74-L78 PolarHBondContact O-N 3.04Å; A74-V106 HydrophobicContact CB-CG1 4.18Å; A74-V107 HydrophobicContact CB-CG2 3.98Å; A74-I110 HydrophobicContact CB-CD1 4.45Å
75I97.4Very high91.1Very high0 Ų024.3 Ų24.30%015%0.146CC..Hα-helixtrans-60.6-45.8175.1-69.1166.2000110F21 L26 L30 I34 I50 A71 I77 L78 Q79 I110F21-I75 HydrophobicContact CE1-CD1 3.88Å; L26-I75 HydrophobicContact CD1-CG2 4.03Å; L26-I75 HydrophobicContact CD2-CG2 4.3Å; L30-I75 HydrophobicContact CD2-CG2 4.21Å; I34-I75 HydrophobicContact CD1-CD1 3.77Å; I34-I75 HydrophobicContact CD1-CG1 3.85Å; I34-I75 HydrophobicContact CD1-CG2 3.96Å; I34-I75 HydrophobicContact CG1-CD1 3.95Å; I34-I75 HydrophobicContact CG1-CG1 3.96Å; I50-I75 HydrophobicContact CD1-CD1 4.01Å; I50-I75 HydrophobicContact CD1-CG2 4.37Å; I50-I75 HydrophobicContact CG2-CG2 4.04Å; A71-I75 WeakPolarHBondContact O-CB 3.22Å; A71-I75 WeakPolarHBondContact O-CD1 3.33Å; A71-I75 WeakPolarHBondContact O-CG1 2.96Å; A71-I75 PolarHBondContact O-N 2.98Å; I75-I77 PolarHBondContact O-N 3.02Å; I75-L78 PolarHBondContact O-N 3.16Å; I75-Q79 WeakPolarHBondContact O-CB 3.36Å; I75-Q79 PolarHBondContact O-N 2.88Å; I75-I110 HydrophobicContact CG1-CD1 4.41Å; I75-I110 HydrophobicContact CG1-CG2 4.26Å
76S97.2Very high92.5Very high0 Ų027.1 Ų27.10%016%0.161CC..Hα-helixtrans-61.6-42.6-179.4-54.70000112.6S53 T72 F73 A74 R80S53-S76 WeakPolarHBondContact CB-OG 3.15Å; T72-S76 WeakPolarHBondContact O-CB 3.41Å; T72-S76 PolarHBondContact O-N 2.88Å; T72-S76 PolarHBondContact O-OG 3.48Å; F73-S76 PolarHBondContact O-N 3.44Å; A74-S76 VanDerWaalsContact C-N 3.33Å; A74-S76 PolarHBondContact O-N 3.26Å; S76-R80 PolarHBondContact O-N 3.3Å
77I98Very high93.9Very high0 Ų028.3 Ų28.30%016%0.164CC..Hα-helixtrans-60.4-54.5173.5-72.7167.9000110.2F73 A74 I75 Q79 R80 I81 A90 V92 V140 I164 V166F73-I77 HydrophobicContact CD2-CD1 3.97Å; F73-I77 WeakPolarHBondContact O-CB 3.32Å; F73-I77 VanDerWaalsContact O-CG1 3.23Å; F73-I77 WeakPolarHBondContact O-CG1 3.33Å; F73-I77 PolarHBondContact O-N 3.27Å; A74-I77 PolarHBondContact O-N 3.41Å; I75-I77 PolarHBondContact O-N 3.02Å; I77-Q79 PolarHBondContact O-N 3.33Å; I77-R80 PolarHBondContact O-N 3.41Å; I77-I81 HydrophobicContact CG2-CG2 3.94Å; I77-I81 WeakPolarHBondContact O-CG2 3.36Å; I77-I81 PolarHBondContact O-N 3.08Å; I77-A90 HydrophobicContact CB-CB 4.34Å; I77-A90 HydrophobicContact CD1-CB 4.1Å; I77-A90 HydrophobicContact CG1-CB 3.97Å; I77-A90 HydrophobicContact CG2-CB 3.47Å; I77-A90 VanDerWaalsContact CG2-CB 3.47Å; I77-V92 HydrophobicContact CD1-CG2 3.63Å; I77-V140 HydrophobicContact CG2-CG1 4.48Å; I77-V140 HydrophobicContact CG2-CG2 3.7Å; I77-I164 HydrophobicContact CG1-CD1 4.23Å; I77-I164 HydrophobicContact CG1-CG2 4.09Å; I77-V166 HydrophobicContact CD1-CG2 3.95Å; I77-V166 HydrophobicContact CG1-CG2 4.43Å
78L98Very high95.1Very high0 Ų026.7 Ų26.70%015%0.154CC..Hα-helixtrans-61.1-32.8-175.2-70.1169.9000112.6K27 L30 A74 I75 I81 V107 I110 L114 V116K27-L78 PolarHBondContact NZ-O 3.33Å; K27-L78 VanDerWaalsContact NZ-O 3.15Å; L30-L78 HydrophobicContact CD1-CB 3.66Å; L30-L78 HydrophobicContact CD1-CD1 3.78Å; L30-L78 HydrophobicContact CD1-CG 4.38Å; L30-L78 HydrophobicContact CD2-CB 4.06Å; L30-L78 HydrophobicContact CG-CB 4.49Å; A74-L78 WeakPolarHBondContact O-CB 3.43Å; A74-L78 WeakPolarHBondContact O-CG 3.23Å; A74-L78 PolarHBondContact O-N 3.04Å; I75-L78 PolarHBondContact O-N 3.16Å; L78-I81 HydrophobicContact CD2-CD1 4.03Å; L78-V107 HydrophobicContact CD2-CG1 4.08Å; L78-V107 HydrophobicContact CG-CG1 4.49Å; L78-I110 HydrophobicContact CD1-CB 3.9Å; L78-I110 HydrophobicContact CD1-CG2 3.61Å; L78-L114 HydrophobicContact CB-CD1 3.94Å; L78-L114 HydrophobicContact CD2-CD1 4.14Å; L78-V116 HydrophobicContact CD2-CB 3.95Å; L78-V116 HydrophobicContact CD2-CG1 3.96Å; L78-V116 HydrophobicContact CD2-CG2 3.83Å
79Q98Very high95.9Very high38 Ų3826.2 Ų26.218%0.17815%0.149CC..Hα-helixtrans-65.6-39.2175.3-178.860.311.300112.1D25 L26 K27 L30 I54 I75 I77D25-Q79 PolarHBondContact O-NE2 3.28Å; L26-Q79 HydrophobicContact CD2-CB 4.32Å; L26-Q79 HydrophobicContact CD2-CG 4.04Å; K27-Q79 WeakPolarHBondContact CE-O 3.44Å; K27-Q79 PolarHBondContact NZ-O 3.14Å; L30-Q79 HydrophobicContact CD2-CB 3.79Å; I54-Q79 HydrophobicContact CB-CG 4.04Å; I54-Q79 HydrophobicContact CG2-CB 3.82Å; I54-Q79 HydrophobicContact CG2-CG 3.73Å; I75-Q79 WeakPolarHBondContact O-CB 3.36Å; I75-Q79 PolarHBondContact O-N 2.88Å; I77-Q79 PolarHBondContact O-N 3.33Å
80R96.7Very high96.3Very high76 Ų7625.7 Ų25.729%0.28715%0.147SC..Hα-helixtrans-94.6-21.2-171.3-68.5-169.976.2-140.80.3115S53 S76 I77 I164S53-R80 WeakPolarHBondContact O-CD 3.34Å; S76-R80 PolarHBondContact O-N 3.3Å; I77-R80 PolarHBondContact O-N 3.41Å; R80-I164 HydrophobicContact CB-CD1 3.71Å; R80-I164 HydrophobicContact CG-CD1 4.31Å
81I96Very high96.7Very high3 Ų324.3 Ų24.32%0.01514%0.138CC..  trans-71.3153.9177.562.8173.5000112.2K27 I77 L78 V83 Q89 A90 V116 H139 V140K27-I81 PolarHBondContact NZ-O 3.48Å; I77-I81 HydrophobicContact CG2-CG2 3.94Å; I77-I81 WeakPolarHBondContact O-CG2 3.36Å; I77-I81 PolarHBondContact O-N 3.08Å; L78-I81 HydrophobicContact CD2-CD1 4.03Å; I81-V83 HydrophobicContact CD1-CG1 4.18Å; I81-V83 HydrophobicContact CG1-CG1 4.44Å; I81-Q89 HydrophobicContact CB-CB 4.43Å; I81-Q89 HydrophobicContact CG2-CB 3.84Å; I81-A90 HydrophobicContact CG2-CB 4.36Å; I81-V116 HydrophobicContact CD1-CG2 3.6Å; I81-H139 HydrophobicContact CD1-CB 4.23Å; I81-V140 HydrophobicContact CD1-CG2 4.23Å
82D96.5Very high96.9Very high69 Ų6924.2 Ų24.237%0.36914%0.138SC..  trans-108.8108.2170.8174.310.6000110.1S84 S85 Q89D82-S84 PolarHBondContact O-N 3.04Å; D82-S84 VanDerWaalsContact OD1-CB 3.31Å; D82-S84 WeakPolarHBondContact OD1-CB 3.33Å; D82-S84 PolarHBondContact OD1-N 3.46Å; D82-S84 PolarHBondContact OD1-OG 2.78Å; D82-S84 PolarHBondContact OD2-OG 2.84Å; D82-S84 VanDerWaalsContact OD2-OG 3.06Å; D82-S85 PolarHBondContact O-N 3.08Å; D82-Q89 PolarHBondContact O-NE2 3.25Å
83V95.6Very high97Very high53 Ų5324.2 Ų24.232%0.32114%0.137SC..THydrogen-bonded Turntrans-74.5-7.7-177.3-63.10000113.8I81 S85 L114 H139I81-V83 HydrophobicContact CD1-CG1 4.18Å; I81-V83 HydrophobicContact CG1-CG1 4.44Å; V83-S85 VanDerWaalsContact C-N 3.35Å; V83-L114 HydrophobicContact CG1-CB 4.27Å; V83-L114 WeakPolarHBondContact CG1-O 3.5Å; V83-L114 WeakPolarHBondContact CG2-O 3.29Å; V83-H139 PolarHBondContact O-NE2 3.41Å
84S95.3Very high97Very high103 Ų10324.2 Ų24.272%0.7214%0.137SC*.THydrogen-bonded Turntrans-77.2-24.6171.876.10000112.3D82D82-S84 PolarHBondContact O-N 3.04Å; D82-S84 VanDerWaalsContact OD1-CB 3.31Å; D82-S84 WeakPolarHBondContact OD1-CB 3.33Å; D82-S84 PolarHBondContact OD1-N 3.46Å; D82-S84 PolarHBondContact OD1-OG 2.78Å; D82-S84 PolarHBondContact OD2-OG 2.84Å; D82-S84 VanDerWaalsContact OD2-OG 3.06Å
85S95.3Very high96.7Very high39 Ų3924.3 Ų24.327%0.27314%0.138SC..SBendtrans-91.7110.8176.5178.20000110.9D82 V83 T87 Q89 H139D82-S85 PolarHBondContact O-N 3.08Å; V83-S85 VanDerWaalsContact C-N 3.35Å; S85-T87 PolarHBondContact O-N 2.83Å; S85-T87 PolarHBondContact OG-OG1 2.86Å; S85-Q89 PolarHBondContact O-NE2 2.81Å; S85-H139 PolarHBondContact O-CD2 3.03Å; S85-H139 PolarHBondContact O-NE2 3.45Å
86N94.4Very high96.3Very high73 Ų7324.4 Ų24.439%0.3914%0.139SC..  trans-7748.9-179.2-166.247.5000113.1K117 Q136 G137N86-K117 PolarHBondContact OD1-NZ 2.8Å; N86-Q136 PolarHBondContact ND2-O 2.85Å; N86-G137 WeakPolarHBondContact O-CA 3.39Å; N86-G137 PolarHBondContact OD1-O 3.25Å
87T96.4Very high95.9Very high43 Ų4327.7 Ų27.726%0.26415%0.151SC..SBendtrans-132.5156.2-178.163.80000111.4S85 Q89 Q138 N161S85-T87 PolarHBondContact O-N 2.83Å; S85-T87 PolarHBondContact OG-OG1 2.86Å; T87-Q89 PolarHBondContact O-N 3.18Å; T87-Q138 CarbonylContact C-O 3.55Å; T87-N161 WeakPolarHBondContact CB-ND2 3.47Å; T87-N161 WeakPolarHBondContact CG2-ND2 3.47Å; T87-N161 PolarHBondContact OG1-ND2 3.18Å
88C97.8Very high95.3Very high9 Ų928 Ų286%0.06115%0.153CC..  trans-68.2120.9178.7-1710000110.3Q138 L157 N161 I162C88-Q138 WeakPolarHBondContact CA-O 3.25Å; C88-Q138 PolarHBondContact N-O 2.83Å; C88-L157 HydrophobicContact CB-CD1 4.05Å; C88-N161 CarbonylContact O-C 3.57Å; C88-N161 VanDerWaalsContact O-C 3.26Å; C88-I162 HydrophobicContact CB-CG1 4.46Å; C88-I162 PolarHBondContact O-N 3.38Å
89Q98.3Very high94.9Very high2 Ų228.1 Ų28.11%0.00915%0.153CC..  trans-118.6-19.9-178-72.217375.700112.9I81 D82 S85 T87 H139 N161 K163 I164I81-Q89 HydrophobicContact CB-CB 4.43Å; I81-Q89 HydrophobicContact CG2-CB 3.84Å; D82-Q89 PolarHBondContact O-NE2 3.25Å; S85-Q89 PolarHBondContact O-NE2 2.81Å; T87-Q89 PolarHBondContact O-N 3.18Å; Q89-H139 PolarHBondContact N-O 2.94Å; Q89-N161 WeakPolarHBondContact CA-O 3.29Å; Q89-K163 PolarHBondContact O-N 2.94Å; Q89-I164 PolarHBondContact O-N 3.36Å
90A98.5Very high94.7Very high0 Ų026.3 Ų26.30%015%0.145CC..EExtended strand (participates in β ladder)trans-135.9133.4174.800000111.5I77 I81 H139 V140 V141 I164I77-A90 HydrophobicContact CB-CB 4.34Å; I77-A90 HydrophobicContact CD1-CB 4.1Å; I77-A90 HydrophobicContact CG1-CB 3.97Å; I77-A90 HydrophobicContact CG2-CB 3.47Å; I77-A90 VanDerWaalsContact CG2-CB 3.47Å; I81-A90 HydrophobicContact CG2-CB 4.36Å; A90-H139 PolarHBondContact N-O 3.25Å; A90-V140 HydrophobicContact CB-CG1 4.32Å; A90-V140 HydrophobicContact CB-CG2 4.32Å; A90-V140 WeakPolarHBondContact O-CA 3.3Å; A90-V141 PolarHBondContact O-N 3.27Å; A90-I164 WeakPolarHBondContact CA-O 3.28Å; A90-I164 HydrophobicContact CB-CB 4.16Å
91L98.5Very high94.4Very high0 Ų026 Ų260%014%0.144CC..EExtended strand (participates in β ladder)trans-118.5126.4175.8176.364.9000109.9L93 V141 V148 M152 L157 I162 I164 F165 V166 I185 L189L91-L93 HydrophobicContact CD1-CD2 4.24Å; L91-L93 HydrophobicContact CD2-CD2 4.41Å; L91-L93 HydrophobicContact CG-CD2 4.24Å; L91-V141 CarbonylContact C-O 3.37Å; L91-V141 WeakPolarHBondContact CA-O 3.4Å; L91-V141 HydrophobicContact CD1-CB 4.1Å; L91-V141 HydrophobicContact CD1-CG1 4Å; L91-V148 HydrophobicContact CD1-CG1 3.89Å; L91-V148 HydrophobicContact CD1-CG2 4.38Å; L91-V148 HydrophobicContact CD2-CG1 4.14Å; L91-M152 HydrophobicContact CD2-CE 3.32Å; L91-L157 HydrophobicContact CD1-CD2 4.42Å; L91-I162 HydrophobicContact CB-CD1 4.1Å; L91-I162 HydrophobicContact CB-CG2 4.43Å; L91-I162 HydrophobicContact CD2-CD1 4.4Å; L91-I164 PolarHBondContact N-O 3.12Å; L91-F165 HydrophobicContact CB-CD2 4.13Å; L91-F165 HydrophobicContact CD2-CD2 3.88Å; L91-F165 HydrophobicContact CD2-CE2 3.76Å; L91-F165 HydrophobicContact CG-CD2 4.02Å; L91-F165 HydrophobicContact CG-CE2 4.1Å; L91-F165 CarbonylContact O-C 3.52Å; L91-F165 WeakPolarHBondContact O-CA 3.5Å; L91-V166 PolarHBondContact O-N 3.08Å; L91-I185 HydrophobicContact CD2-CG2 3.83Å; L91-L189 HydrophobicContact CD2-CD2 4.24Å
92V98.4Very high94.2Very high0 Ų027.5 Ų27.50%015%0.151CC..EExtended strand (participates in β ladder)trans-117.1117.3177.4-175.10000109F73 I77 V94 I103 V141 V142 G143 V166F73-V92 HydrophobicContact CE2-CG1 4.05Å; F73-V92 HydrophobicContact CE2-CG2 4.31Å; F73-V92 HydrophobicContact CZ-CG1 4.24Å; I77-V92 HydrophobicContact CD1-CG2 3.63Å; V92-V94 HydrophobicContact CG1-CG1 4.12Å; V92-I103 HydrophobicContact CG1-CD1 4.4Å; V92-V141 PolarHBondContact N-O 3.38Å; V92-V142 HydrophobicContact CB-CB 4.37Å; V92-V142 HydrophobicContact CB-CG1 4.12Å; V92-V142 HydrophobicContact CB-CG2 4.12Å; V92-V142 HydrophobicContact CG1-CG1 4.23Å; V92-V142 HydrophobicContact CG2-CG2 4.29Å; V92-V142 CarbonylContact O-C 3.58Å; V92-V142 WeakPolarHBondContact O-CA 3.34Å; V92-G143 PolarHBondContact O-N 3Å; V92-V166 CarbonylContact C-O 3.56Å; V92-V166 WeakPolarHBondContact CA-O 3.29Å; V92-V166 HydrophobicContact CB-CB 4.3Å; V92-V166 HydrophobicContact CG1-CB 4.09Å; V92-V166 HydrophobicContact CG1-CG1 4.2Å; V92-V166 HydrophobicContact CG2-CB 4.04Å; V92-V166 HydrophobicContact CG2-CG2 4.22Å
93L97.9Very high94Very high0 Ų024.2 Ų24.20%013%0.133CC..EExtended strand (participates in β ladder)trans-95.3135.8171.8-58.1-172.5000110.9L91 G143 P145 V148 F165 V166 L167 D168 M173 I182 I185L91-L93 HydrophobicContact CD1-CD2 4.24Å; L91-L93 HydrophobicContact CD2-CD2 4.41Å; L91-L93 HydrophobicContact CG-CD2 4.24Å; L93-G143 WeakPolarHBondContact CA-O 3.43Å; L93-P145 HydrophobicContact CB-CG 4.45Å; L93-P145 HydrophobicContact CD1-CG 4.37Å; L93-V148 HydrophobicContact CD2-CB 4.05Å; L93-V148 HydrophobicContact CD2-CG1 3.96Å; L93-V148 HydrophobicContact CD2-CG2 3.89Å; L93-F165 HydrophobicContact CD1-CE2 3.64Å; L93-F165 HydrophobicContact CD1-CZ 3.53Å; L93-F165 HydrophobicContact CD2-CE2 4.48Å; L93-F165 HydrophobicContact CG-CE2 3.64Å; L93-F165 HydrophobicContact CG-CZ 4.02Å; L93-V166 PolarHBondContact N-O 3.36Å; L93-L167 HydrophobicContact CB-CD2 3.93Å; L93-L167 HydrophobicContact CD1-CD2 3.87Å; L93-L167 HydrophobicContact CG-CD2 4.2Å; L93-D168 PolarHBondContact O-N 2.86Å; L93-M173 HydrophobicContact CB-CE 4.26Å; L93-M173 HydrophobicContact CB-SD 3.87Å; L93-I182 HydrophobicContact CD1-CG1 4.19Å; L93-I185 HydrophobicContact CD1-CB 4.5Å; L93-I185 HydrophobicContact CD1-CD1 3.66Å; L93-I185 HydrophobicContact CD1-CG2 4.19Å; L93-I185 HydrophobicContact CD2-CD1 4.08Å
94V95.3Very high94.1Very high0 Ų023.3 Ų23.30%013%0.125CC..  trans-137.1153179-64.90000112.3V92 T96 L99 A100 I103 V142 G143 T144 P145 D168V92-V94 HydrophobicContact CG1-CG1 4.12Å; V94-T96 WeakPolarHBondContact CG2-O 3.47Å; V94-T96 PolarHBondContact O-N 2.84Å; V94-L99 HydrophobicContact CB-CD2 4.01Å; V94-L99 HydrophobicContact CB-CG 4.15Å; V94-L99 HydrophobicContact CG1-CD2 4.04Å; V94-L99 HydrophobicContact CG1-CG 4.07Å; V94-A100 HydrophobicContact CG2-CB 3.57Å; V94-I103 HydrophobicContact CG1-CD1 3.3Å; V94-V142 HydrophobicContact CG1-CG1 4.48Å; V94-V142 HydrophobicContact CG2-CG1 4.41Å; V94-G143 PolarHBondContact N-O 2.96Å; V94-T144 WeakPolarHBondContact O-CA 3.41Å; V94-P145 VanDerWaalsContact O-CD 3.26Å; V94-P145 WeakPolarHBondContact O-CD 3.39Å; V94-D168 HydrophobicContact CG1-CB 4Å
95P91.4Very high94Very high2 Ų221.1 Ų21.11%0.01311%0.108CC..SBendtrans-72.6-25.8-177.327.6-39.1000115L99 D168 E169 Q172 M173 R176P95-L99 HydrophobicContact CG-CD2 4.28Å; P95-D168 VanDerWaalsContact CD-O 3.3Å; P95-D168 WeakPolarHBondContact CD-O 3.23Å; P95-E169 HydrophobicContact CG-CB 3.74Å; P95-Q172 HydrophobicContact CB-CB 3.81Å; P95-Q172 HydrophobicContact CB-CG 3.68Å; P95-Q172 HydrophobicContact CG-CB 3.89Å; P95-Q172 HydrophobicContact CG-CG 4.08Å; P95-M173 HydrophobicContact CB-CG 3.85Å; P95-M173 HydrophobicContact CG-CG 4.38Å; P95-R176 PolarHBondContact O-NH1 3.41Å; P95-R176 VanDerWaalsContact O-NH1 3.14Å
96T89.2Confident94Very high3 Ų319.7 Ų19.72%0.01810%0.097CC..  trans-128.9153.5-173.473.60000112.7V94 E98 L99 A100 R176V94-T96 WeakPolarHBondContact CG2-O 3.47Å; V94-T96 PolarHBondContact O-N 2.84Å; T96-E98 VanDerWaalsContact C-N 3.33Å; T96-L99 WeakPolarHBondContact OG1-CB 3.3Å; T96-L99 PolarHBondContact OG1-N 3.4Å; T96-L99 VanDerWaalsContact OG1-N 3.16Å; T96-A100 PolarHBondContact O-N 3.09Å; T96-R176 VanDerWaalsContact CG2-NH2 3.34Å
97R89.2Confident94.1Very high68 Ų6816.2 Ų16.226%0.2578%0.079SC..Hα-helixtrans-71.5-33.8-180-58.1175.3179.9172.1-0.9111.3A100 R101 I122 G123 T144R97-A100 WeakPolarHBondContact O-CB 3.34Å; R97-A100 PolarHBondContact O-N 3.24Å; R97-R101 PolarHBondContact O-N 2.91Å; R97-I122 HydrophobicContact CB-CB 4.18Å; R97-I122 HydrophobicContact CB-CD1 3.99Å; R97-I122 HydrophobicContact CB-CG2 4.2Å; R97-I122 HydrophobicContact CG-CB 3.98Å; R97-I122 HydrophobicContact CG-CG2 4.29Å; R97-G123 VanDerWaalsContact CD-O 3.31Å; R97-G123 WeakPolarHBondContact CD-O 3.37Å; R97-G123 PolarHBondContact NE-O 3.26Å; R97-G123 PolarHBondContact NH1-O 3.16Å; R97-T144 HydrophobicContact CG-CG2 4Å
98E85Confident94.1Very high7 Ų718 Ų183%0.0338%0.084CC..Hα-helixtrans-67-44.9178.7-65.265.8-144.200110.7T96 A100 R101 Q102 Q294 R297 I322T96-E98 VanDerWaalsContact C-N 3.33Å; E98-A100 VanDerWaalsContact C-N 3.32Å; E98-A100 PolarHBondContact O-N 3.18Å; E98-R101 PolarHBondContact O-N 2.84Å; E98-Q102 PolarHBondContact O-N 2.94Å; E98-Q294 PolarHBondContact OE1-NE2 3.43Å; E98-R297 VanDerWaalsContact CD-CZ 3.46Å; E98-R297 IonicContact OE1-CZ 3.4Å; E98-R297 IonicContact OE1-NE 2.81Å; E98-R297 PolarHBondContact OE1-NE 3.43Å; E98-R297 IonicContact OE1-NH1 2.79Å; E98-R297 PolarHBondContact OE1-NH1 2.94Å; E98-R297 IonicContact OE1-NH2 3.75Å; E98-R297 PolarHBondContact OE1-NH2 3.15Å; E98-R297 IonicContact OE2-CZ 2.77Å; E98-R297 IonicContact OE2-NH1 3.12Å; E98-R297 IonicContact OE2-NH2 3.93Å; E98-R297 PolarHBondContact OE2-NH2 3.34Å; E98-I322 HydrophobicContact CB-CD1 3.85Å; E98-I322 HydrophobicContact CB-CG1 4.06Å; E98-I322 HydrophobicContact CG-CD1 4.07Å
99L88.8Confident94Very high2 Ų225 Ų251%0.0111%0.109CC..Hα-helixtrans-62.8-40.4175.1179.455.1000111.2V94 P95 T96 R101 Q102 I103 E169V94-L99 HydrophobicContact CB-CD2 4.01Å; V94-L99 HydrophobicContact CB-CG 4.15Å; V94-L99 HydrophobicContact CG1-CD2 4.04Å; V94-L99 HydrophobicContact CG1-CG 4.07Å; P95-L99 HydrophobicContact CG-CD2 4.28Å; T96-L99 WeakPolarHBondContact OG1-CB 3.3Å; T96-L99 PolarHBondContact OG1-N 3.4Å; T96-L99 VanDerWaalsContact OG1-N 3.16Å; L99-R101 VanDerWaalsContact C-N 3.32Å; L99-R101 PolarHBondContact O-N 3.3Å; L99-Q102 WeakPolarHBondContact O-CB 3.22Å; L99-Q102 PolarHBondContact O-N 2.81Å; L99-I103 HydrophobicContact CD1-CD1 3.81Å; L99-I103 HydrophobicContact CD1-CG1 3.93Å; L99-I103 HydrophobicContact CD2-CD1 4.48Å; L99-I103 HydrophobicContact CG-CD1 3.75Å; L99-I103 HydrophobicContact CG-CG1 4.34Å; L99-I103 WeakPolarHBondContact O-CG1 3.23Å; L99-I103 PolarHBondContact O-N 3.38Å; L99-E169 HydrophobicContact CD2-CB 4.49Å; L99-E169 HydrophobicContact CD2-CG 3.98Å; L99-E169 WeakPolarHBondContact CD2-OE2 3.19Å
100A93.3Very high93.9Very high0 Ų025 Ų250%011%0.109CC..Hα-helixtrans-56.7-46.2177.600000112.2V94 T96 R97 E98 I103 Q104 T120 I122 V142V94-A100 HydrophobicContact CG2-CB 3.57Å; T96-A100 PolarHBondContact O-N 3.09Å; R97-A100 WeakPolarHBondContact O-CB 3.34Å; R97-A100 PolarHBondContact O-N 3.24Å; E98-A100 VanDerWaalsContact C-N 3.32Å; E98-A100 PolarHBondContact O-N 3.18Å; A100-I103 PolarHBondContact O-N 2.97Å; A100-Q104 PolarHBondContact O-N 3.03Å; A100-T120 HydrophobicContact CB-CG2 4.36Å; A100-T120 WeakPolarHBondContact O-CG2 3.24Å; A100-I122 HydrophobicContact CB-CG2 3.57Å; A100-V142 HydrophobicContact CB-CG1 3.98Å
101R91.7Very high93.8Very high70 Ų7025 Ų2526%0.26411%0.109SC..Hα-helixtrans-67.1-38.4177.8-71.2-175.6176.3140.5-25.5113R97 E98 L99 Q104 T105 T120 I122 D298R97-R101 PolarHBondContact O-N 2.91Å; E98-R101 PolarHBondContact O-N 2.84Å; L99-R101 VanDerWaalsContact C-N 3.32Å; L99-R101 PolarHBondContact O-N 3.3Å; R101-Q104 PolarHBondContact O-N 3.47Å; R101-T105 PolarHBondContact O-N 3.21Å; R101-T105 PolarHBondContact O-OG1 3.26Å; R101-T120 HydrophobicContact CG-CG2 4.13Å; R101-I122 HydrophobicContact CG-CD1 4.33Å; R101-D298 IonicContact CZ-OD1 3.58Å; R101-D298 IonicContact CZ-OD2 3.76Å; R101-D298 IonicContact NH1-OD1 2.73Å; R101-D298 PolarHBondContact NH1-OD1 2.76Å; R101-D298 IonicContact NH1-OD2 2.69Å; R101-D298 PolarHBondContact NH1-OD2 3.42Å; R101-D298 IonicContact NH2-OD2 3.01Å; R101-D298 PolarHBondContact NH2-OD2 3.3Å
102Q90.3Very high93.6Very high34 Ų3427.9 Ų27.916%0.15913%0.13CC..Hα-helixtrans-61.1-47.5174.7-175.1179.3-52.300111E98 L99 Q104 T105 V106 G321E98-Q102 PolarHBondContact O-N 2.94Å; L99-Q102 WeakPolarHBondContact O-CB 3.22Å; L99-Q102 PolarHBondContact O-N 2.81Å; Q102-Q104 PolarHBondContact O-N 2.99Å; Q102-T105 WeakPolarHBondContact O-CB 3.25Å; Q102-T105 PolarHBondContact O-N 2.65Å; Q102-V106 WeakPolarHBondContact O-CG2 3.21Å; Q102-V106 PolarHBondContact O-N 3.02Å; Q102-G321 PolarHBondContact NE2-O 3.29Å; Q102-G321 PolarHBondContact OE1-O 2.89Å
103I94.2Very high93.5Very high0 Ų032.8 Ų32.80%015%0.149CC..Hα-helixtrans-62.8-43.9177.6-66.8165.3000110.8T70 F73 V92 V94 L99 A100 T105 V106 V107 V142T70-I103 HydrophobicContact CG2-CB 4.43Å; T70-I103 HydrophobicContact CG2-CG1 3.76Å; F73-I103 HydrophobicContact CE2-CG2 3.74Å; F73-I103 HydrophobicContact CZ-CD1 3.88Å; F73-I103 HydrophobicContact CZ-CG1 4.07Å; F73-I103 HydrophobicContact CZ-CG2 3.94Å; V92-I103 HydrophobicContact CG1-CD1 4.4Å; V94-I103 HydrophobicContact CG1-CD1 3.3Å; L99-I103 HydrophobicContact CD1-CD1 3.81Å; L99-I103 HydrophobicContact CD1-CG1 3.93Å; L99-I103 HydrophobicContact CD2-CD1 4.48Å; L99-I103 HydrophobicContact CG-CD1 3.75Å; L99-I103 HydrophobicContact CG-CG1 4.34Å; L99-I103 WeakPolarHBondContact O-CG1 3.23Å; L99-I103 PolarHBondContact O-N 3.38Å; A100-I103 PolarHBondContact O-N 2.97Å; I103-T105 PolarHBondContact O-N 3.25Å; I103-V106 PolarHBondContact O-N 2.89Å; I103-V107 HydrophobicContact CG2-CG2 4.1Å; I103-V107 WeakPolarHBondContact O-CG2 3.44Å; I103-V107 PolarHBondContact O-N 3.36Å; I103-V142 HydrophobicContact CB-CG1 4Å; I103-V142 HydrophobicContact CD1-CG1 4.28Å; I103-V142 HydrophobicContact CG2-CG1 3.95Å; I103-V142 HydrophobicContact CG2-CG2 3.85Å
104Q96.1Very high93.3Very high34 Ų3433.5 Ų33.516%0.15915%0.152CC..Hα-helixtrans-53.7-44.3174.8179.4-170.73200111.4A100 R101 Q102 V106 V107 Q108 C118 T120A100-Q104 PolarHBondContact O-N 3.03Å; R101-Q104 PolarHBondContact O-N 3.47Å; Q102-Q104 PolarHBondContact O-N 2.99Å; Q104-V106 PolarHBondContact O-N 3.06Å; Q104-V107 PolarHBondContact O-N 3.28Å; Q104-Q108 HydrophobicContact CG-CG 4.36Å; Q104-Q108 WeakPolarHBondContact O-CB 3.41Å; Q104-Q108 VanDerWaalsContact O-CG 3.25Å; Q104-Q108 WeakPolarHBondContact O-CG 3.25Å; Q104-Q108 PolarHBondContact O-N 2.84Å; Q104-C118 HydrophobicContact CG-CB 4.29Å; Q104-C118 PolarHBondContact NE2-O 3.23Å; Q104-T120 HydrophobicContact CB-CG2 3.49Å; Q104-T120 VanDerWaalsContact CB-CG2 3.49Å; Q104-T120 VanDerWaalsContact CD-CG2 3.49Å; Q104-T120 HydrophobicContact CG-CG2 3.98Å
105T93.9Very high93.1Very high57 Ų5738.4 Ų38.435%0.3519%0.185SC..Hα-helixtrans-62.8-43.5178.1-57.50000111.2R101 Q102 I103 R109R101-T105 PolarHBondContact O-N 3.21Å; R101-T105 PolarHBondContact O-OG1 3.26Å; Q102-T105 WeakPolarHBondContact O-CB 3.25Å; Q102-T105 PolarHBondContact O-N 2.65Å; I103-T105 PolarHBondContact O-N 3.25Å; T105-R109 HydrophobicContact CG2-CG 4.36Å; T105-R109 WeakPolarHBondContact O-CB 3.47Å; T105-R109 VanDerWaalsContact O-CG 3.29Å; T105-R109 WeakPolarHBondContact O-CG 3.17Å; T105-R109 PolarHBondContact O-N 2.97Å
106V94.5Very high93.4Very high9 Ų939.1 Ų39.16%0.05519%0.19CC..Hα-helixtrans-62.1-49.9177175.70000110.9T70 A74 Q102 I103 Q104 Q108 R109 I110T70-V106 HydrophobicContact CG2-CB 4.2Å; T70-V106 HydrophobicContact CG2-CG1 4.14Å; T70-V106 HydrophobicContact CG2-CG2 4.15Å; A74-V106 HydrophobicContact CB-CG1 4.18Å; Q102-V106 WeakPolarHBondContact O-CG2 3.21Å; Q102-V106 PolarHBondContact O-N 3.02Å; I103-V106 PolarHBondContact O-N 2.89Å; Q104-V106 PolarHBondContact O-N 3.06Å; V106-Q108 PolarHBondContact O-N 3.36Å; V106-R109 PolarHBondContact O-N 3.26Å; V106-I110 HydrophobicContact CG1-CD1 3.59Å; V106-I110 HydrophobicContact CG1-CG1 4.32Å; V106-I110 WeakPolarHBondContact O-CB 3.38Å; V106-I110 WeakPolarHBondContact O-CG1 3.46Å; V106-I110 PolarHBondContact O-N 3.42Å
107V97.2Very high93.7Very high0 Ų043.1 Ų43.10%021%0.207CC..Hα-helixtrans-59.8-45.2179175.80000111A74 L78 I103 Q104 G111 V116 C118 V140A74-V107 HydrophobicContact CB-CG2 3.98Å; L78-V107 HydrophobicContact CD2-CG1 4.08Å; L78-V107 HydrophobicContact CG-CG1 4.49Å; I103-V107 HydrophobicContact CG2-CG2 4.1Å; I103-V107 WeakPolarHBondContact O-CG2 3.44Å; I103-V107 PolarHBondContact O-N 3.36Å; Q104-V107 PolarHBondContact O-N 3.28Å; V107-G111 WeakPolarHBondContact O-CA 3.45Å; V107-G111 PolarHBondContact O-N 2.82Å; V107-V116 HydrophobicContact CG1-CG1 4.43Å; V107-C118 HydrophobicContact CB-CB 4.49Å; V107-C118 HydrophobicContact CG1-CB 4.07Å; V107-V140 HydrophobicContact CG1-CG2 4.26Å
108Q96.5Very high94.1Very high81 Ų8140.1 Ų40.138%0.37920%0.196SC..Hα-helixtrans-66.9-39.9179.9-73.9175.3-20.500112.7Q104 V106 G111 S112 C118Q104-Q108 HydrophobicContact CG-CG 4.36Å; Q104-Q108 WeakPolarHBondContact O-CB 3.41Å; Q104-Q108 VanDerWaalsContact O-CG 3.25Å; Q104-Q108 WeakPolarHBondContact O-CG 3.25Å; Q104-Q108 PolarHBondContact O-N 2.84Å; V106-Q108 PolarHBondContact O-N 3.36Å; Q108-G111 CarbonylContact O-C 3.17Å; Q108-S112 WeakPolarHBondContact O-CA 3.39Å; Q108-S112 PolarHBondContact O-N 3.27Å; Q108-C118 HydrophobicContact CG-CB 3.97Å; Q108-C118 PolarHBondContact NE2-O 2.91Å
109R95.4Very high94.7Very high157 Ų15741 Ų4159%0.59220%0.2SC*.Hα-helixtrans-72.2-46.7-179.5-71.9-176.8174.6-167.51.3112Y37 T105 V106 G111 S112Y37-R109 HydrophobicContact CD2-CB 3.55Å; Y37-R109 HydrophobicContact CE2-CB 3.74Å; Y37-R109 HydrophobicContact CE2-CG 4.39Å; T105-R109 HydrophobicContact CG2-CG 4.36Å; T105-R109 WeakPolarHBondContact O-CB 3.47Å; T105-R109 VanDerWaalsContact O-CG 3.29Å; T105-R109 WeakPolarHBondContact O-CG 3.17Å; T105-R109 PolarHBondContact O-N 2.97Å; V106-R109 PolarHBondContact O-N 3.26Å; R109-G111 VanDerWaalsContact C-N 3.32Å; R109-S112 VanDerWaalsContact O-CB 3.29Å; R109-S112 WeakPolarHBondContact O-CB 3.49Å; R109-S112 PolarHBondContact O-N 2.97Å; R109-S112 PolarHBondContact O-OG 3.31Å
110I96.4Very high95.1Very high0 Ų041.7 Ų41.70%020%0.204CC..Hα-helixtrans-65.2-39.6175.5-62.8175.6000110.1L30 G33 I34 Y37 Y39 A71 A74 I75 L78 V106 S112L30-I110 HydrophobicContact CD1-CG2 3.61Å; G33-I110 VanDerWaalsContact CA-O 3.31Å; G33-I110 WeakPolarHBondContact CA-O 3.31Å; I34-I110 HydrophobicContact CG1-CG2 3.89Å; Y37-I110 HydrophobicContact CD2-CG1 3.94Å; Y37-I110 HydrophobicContact CG-CG1 4.06Å; Y39-I110 HydrophobicContact CE2-CD1 4Å; A71-I110 HydrophobicContact CB-CD1 4.44Å; A74-I110 HydrophobicContact CB-CD1 4.45Å; I75-I110 HydrophobicContact CG1-CD1 4.41Å; I75-I110 HydrophobicContact CG1-CG2 4.26Å; L78-I110 HydrophobicContact CD1-CB 3.9Å; L78-I110 HydrophobicContact CD1-CG2 3.61Å; V106-I110 HydrophobicContact CG1-CD1 3.59Å; V106-I110 HydrophobicContact CG1-CG1 4.32Å; V106-I110 WeakPolarHBondContact O-CB 3.38Å; V106-I110 WeakPolarHBondContact O-CG1 3.46Å; V106-I110 PolarHBondContact O-N 3.42Å; I110-S112 VanDerWaalsContact C-N 3.28Å; I110-S112 PolarHBondContact O-N 2.95Å
111G96.5Very high95.2Very high0 Ų041.7 Ų41.70%020%0.204CC..THydrogen-bonded Turntrans-8513.217900000115.1V107 Q108 R109 Y113 L114 C115V107-G111 WeakPolarHBondContact O-CA 3.45Å; V107-G111 PolarHBondContact O-N 2.82Å; Q108-G111 CarbonylContact O-C 3.17Å; R109-G111 VanDerWaalsContact C-N 3.32Å; G111-Y113 VanDerWaalsContact C-N 3.28Å; G111-Y113 PolarHBondContact O-N 3.34Å; G111-L114 WeakPolarHBondContact O-CB 3.45Å; G111-L114 PolarHBondContact O-N 3.05Å; G111-C115 PolarHBondContact O-N 2.91Å
112S94.4Very high95.3Very high62 Ų6238.3 Ų38.343%0.43419%0.191SC..G310 helixtrans-58.9-36.6-172.251.20000113.4Q108 R109 I110 L114Q108-S112 WeakPolarHBondContact O-CA 3.39Å; Q108-S112 PolarHBondContact O-N 3.27Å; R109-S112 VanDerWaalsContact O-CB 3.29Å; R109-S112 WeakPolarHBondContact O-CB 3.49Å; R109-S112 PolarHBondContact O-N 2.97Å; R109-S112 PolarHBondContact O-OG 3.31Å; I110-S112 VanDerWaalsContact C-N 3.28Å; I110-S112 PolarHBondContact O-N 2.95Å; S112-L114 VanDerWaalsContact C-N 3.34Å
113Y95.4Very high95.3Very high103 Ų10337.3 Ų37.340%0.40419%0.189SC..G310 helixtrans-83.7-6.9177.3-61.5-75.2000114.3R32 G111R32-Y113 HydrophobicContact CB-CD2 4.05Å; R32-Y113 HydrophobicContact CB-CE2 4.29Å; R32-Y113 HydrophobicContact CG-CD2 3.83Å; R32-Y113 HydrophobicContact CG-CE1 4.49Å; R32-Y113 HydrophobicContact CG-CE2 3.61Å; R32-Y113 HydrophobicContact CG-CG 4.35Å; R32-Y113 VanDerWaalsContact CZ-CE1 3.5Å; R32-Y113 VanDerWaalsContact NE-CZ 3.34Å; G111-Y113 VanDerWaalsContact C-N 3.28Å; G111-Y113 PolarHBondContact O-N 3.34Å
114L94.9Very high94.8Very high14 Ų1440 Ų407%0.07322%0.218CC..G310 helixtrans-94-6.9174.6-68169.6000112.5K27 E29 L30 L78 V83 G111 S112 V116K27-L114 HydrophobicContact CD-CD2 4.06Å; E29-L114 HydrophobicContact CB-CD2 3.76Å; E29-L114 HydrophobicContact CB-CG 4.17Å; E29-L114 HydrophobicContact CG-CD2 4.49Å; L30-L114 HydrophobicContact CB-CD1 4.2Å; L30-L114 HydrophobicContact CD1-CD1 4.38Å; L78-L114 HydrophobicContact CB-CD1 3.94Å; L78-L114 HydrophobicContact CD2-CD1 4.14Å; V83-L114 HydrophobicContact CG1-CB 4.27Å; V83-L114 WeakPolarHBondContact CG1-O 3.5Å; V83-L114 WeakPolarHBondContact CG2-O 3.29Å; G111-L114 WeakPolarHBondContact O-CB 3.45Å; G111-L114 PolarHBondContact O-N 3.05Å; S112-L114 VanDerWaalsContact C-N 3.34Å; L114-V116 PolarHBondContact O-N 2.71Å
115C91.3Very high94.3Very high103 Ų10340.1 Ų40.170%0.69622%0.221SC*.THydrogen-bonded Turntrans55.136.5-171.8-61.10000112.9G111G111-C115 PolarHBondContact O-N 2.91Å
116V96.7Very high94.1Very high18 Ų1846.7 Ų46.711%0.10924%0.239CC..  trans-62.9145.118069.40000111.4L78 I81 V107 L114 H139 V140L78-V116 HydrophobicContact CD2-CB 3.95Å; L78-V116 HydrophobicContact CD2-CG1 3.96Å; L78-V116 HydrophobicContact CD2-CG2 3.83Å; I81-V116 HydrophobicContact CD1-CG2 3.6Å; V107-V116 HydrophobicContact CG1-CG1 4.43Å; L114-V116 PolarHBondContact O-N 2.71Å; V116-H139 HydrophobicContact CG2-CB 4.05Å; V116-V140 HydrophobicContact CG2-CG2 4.06Å
117K96.9Very high94Very high86 Ų8648.4 Ų48.437%0.37425%0.25SC..  trans-109.8114.9174.3-64.6-178.1-176.1174.90107.2N86 G137 H139 V140N86-K117 PolarHBondContact OD1-NZ 2.8Å; K117-G137 WeakPolarHBondContact CD-O 3.29Å; K117-H139 WeakPolarHBondContact CB-ND1 3.38Å; K117-H139 PolarHBondContact N-ND1 3.49Å; K117-H139 WeakPolarHBondContact O-CB 3.48Å; K117-H139 PolarHBondContact O-N 2.83Å; K117-V140 PolarHBondContact O-N 3.47Å
118C97.5Very high93.8Very high5 Ų552.4 Ų52.43%0.03428%0.278CS..EExtended strand (participates in β ladder)trans-125.7127.8-178.8-173.80000109.3Q104 V107 Q108 V140Q104-C118 HydrophobicContact CG-CB 4.29Å; Q104-C118 PolarHBondContact NE2-O 3.23Å; V107-C118 HydrophobicContact CB-CB 4.49Å; V107-C118 HydrophobicContact CG1-CB 4.07Å; Q108-C118 HydrophobicContact CG-CB 3.97Å; Q108-C118 PolarHBondContact NE2-O 2.91Å; C118-V140 VanDerWaalsContact CA-O 3.29Å; C118-V140 WeakPolarHBondContact CA-O 3.29Å; C118-V140 HydrophobicContact CB-CB 4.21Å
119Y97Very high93.6Very high27 Ų2753.7 Ų53.711%0.10628%0.284CS..EExtended strand (participates in β ladder)trans-122.3144.2-178.4-175.3-106.5000112.4D130 C133 L134 Q138 V140 V142Y119-D130 HydrophobicContact CE1-CB 4.34Å; Y119-D130 WeakPolarHBondContact OH-CA 3.43Å; Y119-D130 PolarHBondContact OH-OD1 3.22Å; Y119-C133 HydrophobicContact CD1-CB 4.47Å; Y119-C133 HydrophobicContact CD2-CB 3.82Å; Y119-C133 HydrophobicContact CE1-CB 4.21Å; Y119-C133 HydrophobicContact CE2-CB 3.53Å; Y119-C133 HydrophobicContact CG-CB 4.29Å; Y119-L134 HydrophobicContact CD1-CD2 4.04Å; Y119-L134 HydrophobicContact CD1-CG 4.39Å; Y119-Q138 HydrophobicContact CG-CG 4.41Å; Y119-V140 PolarHBondContact N-O 3.45Å; Y119-V142 PolarHBondContact O-N 2.85Å
120T96.8Very high93.5Very high15 Ų1546.2 Ų46.29%0.09226%0.256CS..EExtended strand (participates in β ladder)trans-97.7114175.3510000111.9A100 R101 Q104 V142A100-T120 HydrophobicContact CB-CG2 4.36Å; A100-T120 WeakPolarHBondContact O-CG2 3.24Å; R101-T120 HydrophobicContact CG-CG2 4.13Å; Q104-T120 HydrophobicContact CB-CG2 3.49Å; Q104-T120 VanDerWaalsContact CB-CG2 3.49Å; Q104-T120 VanDerWaalsContact CD-CG2 3.49Å; Q104-T120 HydrophobicContact CG-CG2 3.98Å; T120-V142 CarbonylContact C-O 3.26Å; T120-V142 WeakPolarHBondContact CA-O 3.45Å
121C95.8Very high93.4Very high0 Ų049 Ų490%027%0.269CS..EExtended strand (participates in β ladder)trans-100.188.8178.9-165.40000109.7V141 V142 G143 T144 V148 M151C121-V141 HydrophobicContact CB-CG1 3.8Å; C121-V142 PolarHBondContact N-O 3.07Å; C121-G143 WeakPolarHBondContact O-CA 3.4Å; C121-T144 PolarHBondContact O-N 3.02Å; C121-T144 VanDerWaalsContact O-N 3.16Å; C121-V148 HydrophobicContact CB-CG2 4.1Å; C121-M151 WeakPolarHBondContact SG-CG 3.4Å
122I94.4Very high93.3Very high0 Ų051 Ų510%029%0.286CS..  trans-128.6147.8-169.954.6166.8000112.2R97 A100 R101 T125 T144 R147R97-I122 HydrophobicContact CB-CB 4.18Å; R97-I122 HydrophobicContact CB-CD1 3.99Å; R97-I122 HydrophobicContact CB-CG2 4.2Å; R97-I122 HydrophobicContact CG-CB 3.98Å; R97-I122 HydrophobicContact CG-CG2 4.29Å; A100-I122 HydrophobicContact CB-CG2 3.57Å; R101-I122 HydrophobicContact CG-CD1 4.33Å; I122-T125 HydrophobicContact CD1-CG2 4.46Å; I122-T125 HydrophobicContact CG1-CG2 4.14Å; I122-T125 PolarHBondContact O-OG1 3.1Å; I122-T125 VanDerWaalsContact O-OG1 3.08Å; I122-T144 HydrophobicContact CG2-CG2 4.28Å; I122-R147 PolarHBondContact O-NH1 3.15Å
123G89.3Confident93.3Very high12 Ų1249.4 Ų49.412%0.12427%0.274CS..THydrogen-bonded Turntrans-60.7159.9173.800000112.7R97 T125R97-G123 VanDerWaalsContact CD-O 3.31Å; R97-G123 WeakPolarHBondContact CD-O 3.37Å; R97-G123 PolarHBondContact NE-O 3.26Å; R97-G123 PolarHBondContact NH1-O 3.16Å; G123-T125 VanDerWaalsContact C-N 3.28Å; G123-T125 PolarHBondContact O-N 2.92Å
124G84.6Confident93.3Very high58 Ų5845.1 Ų45.160%0.59826%0.258SS*.THydrogen-bonded Turntrans85.5-13.2177.700000115
125T84.5Confident93.2Very high35 Ų3551.2 Ų51.222%0.21529%0.286CS..SBendtrans-86.4161167.262.40000111I122 G123 T127 D130 R147I122-T125 HydrophobicContact CD1-CG2 4.46Å; I122-T125 HydrophobicContact CG1-CG2 4.14Å; I122-T125 PolarHBondContact O-OG1 3.1Å; I122-T125 VanDerWaalsContact O-OG1 3.08Å; G123-T125 VanDerWaalsContact C-N 3.28Å; G123-T125 PolarHBondContact O-N 2.92Å; T125-T127 PolarHBondContact O-N 3.32Å; T125-D130 PolarHBondContact OG1-OD1 3.46Å; T125-D130 PolarHBondContact OG1-OD2 2.83Å; T125-R147 PolarHBondContact O-NH1 2.79Å; T125-R147 PolarHBondContact O-NH2 3.4Å; T125-R147 PolarHBondContact OG1-NH1 3.45Å
126R89.4Confident93.3Very high196 Ų19652.4 Ų52.474%0.7428%0.282SS*.  trans-66.2120.8175.7-65.1-178.4-176.1-178.71.7109.9S128 Q129 D130R126-S128 PolarHBondContact O-N 3.24Å; R126-S128 VanDerWaalsContact O-N 3.17Å; R126-Q129 HydrophobicContact CB-CB 4.28Å; R126-Q129 WeakPolarHBondContact O-CB 3.38Å; R126-Q129 PolarHBondContact O-N 3.17Å; R126-D130 PolarHBondContact O-N 3.08Å
127T92.2Very high93.2Very high45 Ų4552 Ų5228%0.27628%0.281SS..Hα-helixtrans-54.9-37.1180-51.40000112.9T125 Q129 D130 M131 M151T125-T127 PolarHBondContact O-N 3.32Å; T127-Q129 VanDerWaalsContact C-N 3.27Å; T127-Q129 PolarHBondContact O-N 3.28Å; T127-D130 PolarHBondContact O-N 3.03Å; T127-M131 HydrophobicContact CG2-CG 4.49Å; T127-M131 HydrophobicContact CG2-SD 4.29Å; T127-M131 VanDerWaalsContact O-CG 3.26Å; T127-M131 WeakPolarHBondContact O-CG 3.4Å; T127-M131 PolarHBondContact O-N 2.71Å; T127-M151 HydrophobicContact CG2-CE 3.51Å
128S92.9Very high93.2Very high84 Ų8449 Ų4959%0.58727%0.268SS*.Hα-helixtrans-62.6-32.6177.352.90000113.4R126 A132R126-S128 PolarHBondContact O-N 3.24Å; R126-S128 VanDerWaalsContact O-N 3.17Å; S128-A132 WeakPolarHBondContact O-CB 3.5Å; S128-A132 PolarHBondContact O-N 3.19Å; S128-A132 VanDerWaalsContact O-N 3.1Å
129Q92.6Very high93.2Very high108 Ų10849 Ų4951%0.50527%0.268SS..Hα-helixtrans-71.2-45.2176.3-173.7178.67.800110.8R126 T127 M131 A132 C133R126-Q129 HydrophobicContact CB-CB 4.28Å; R126-Q129 WeakPolarHBondContact O-CB 3.38Å; R126-Q129 PolarHBondContact O-N 3.17Å; T127-Q129 VanDerWaalsContact C-N 3.27Å; T127-Q129 PolarHBondContact O-N 3.28Å; Q129-M131 VanDerWaalsContact C-N 3.31Å; Q129-M131 PolarHBondContact O-N 2.98Å; Q129-A132 PolarHBondContact O-N 3.2Å; Q129-C133 PolarHBondContact O-N 3Å; Q129-C133 PolarHBondContact O-SG 3Å
130D93.7Very high93.3Very high0 Ų047.8 Ų47.80%026%0.263CS..Hα-helixtrans-56.9-46.5174.5-70.527.5000111Y119 T125 R126 T127 A132 C133 L134 R147 M151Y119-D130 HydrophobicContact CE1-CB 4.34Å; Y119-D130 WeakPolarHBondContact OH-CA 3.43Å; Y119-D130 PolarHBondContact OH-OD1 3.22Å; T125-D130 PolarHBondContact OG1-OD1 3.46Å; T125-D130 PolarHBondContact OG1-OD2 2.83Å; R126-D130 PolarHBondContact O-N 3.08Å; T127-D130 PolarHBondContact O-N 3.03Å; D130-A132 PolarHBondContact O-N 3.03Å; D130-C133 PolarHBondContact O-N 3.4Å; D130-L134 WeakPolarHBondContact O-CB 3.48Å; D130-L134 VanDerWaalsContact O-CG 3.25Å; D130-L134 WeakPolarHBondContact O-CG 3.46Å; D130-L134 PolarHBondContact O-N 3.26Å; D130-R147 VanDerWaalsContact CG-NH1 3.31Å; D130-R147 IonicContact OD1-NH1 2.68Å; D130-R147 WeakPolarHBondContact OD2-CD 3.2Å; D130-R147 IonicContact OD2-CZ 2.7Å; D130-R147 IonicContact OD2-NH1 3.13Å; D130-R147 PolarHBondContact OD2-NH1 3.32Å; D130-M151 HydrophobicContact CB-SD 3.98Å
131M94.2Very high93.4Very high59 Ų5947 Ų4729%0.29126%0.258SS..Hα-helixtrans-58.4-47.6177.2-68.2174.667.300112T127 Q129 L134 Q135 M151 T156T127-M131 HydrophobicContact CG2-CG 4.49Å; T127-M131 HydrophobicContact CG2-SD 4.29Å; T127-M131 VanDerWaalsContact O-CG 3.26Å; T127-M131 WeakPolarHBondContact O-CG 3.4Å; T127-M131 PolarHBondContact O-N 2.71Å; Q129-M131 VanDerWaalsContact C-N 3.31Å; Q129-M131 PolarHBondContact O-N 2.98Å; M131-L134 PolarHBondContact O-N 3.04Å; M131-Q135 WeakPolarHBondContact O-CB 3.4Å; M131-Q135 VanDerWaalsContact O-CG 3.26Å; M131-Q135 WeakPolarHBondContact O-CG 3.44Å; M131-Q135 PolarHBondContact O-N 3.02Å; M131-M151 HydrophobicContact CG-SD 4.05Å; M131-T156 HydrophobicContact CB-CG2 4.14Å; M131-T156 HydrophobicContact CE-CG2 3.62Å; M131-T156 HydrophobicContact CG-CG2 3.64Å; M131-T156 HydrophobicContact SD-CG2 4.3Å
132A94.7Very high93.5Very high42 Ų4247 Ų4735%0.34726%0.258SS..Hα-helixtrans-63-44179.600000112.1S128 Q129 D130 Q135 Q136S128-A132 WeakPolarHBondContact O-CB 3.5Å; S128-A132 PolarHBondContact O-N 3.19Å; S128-A132 VanDerWaalsContact O-N 3.1Å; Q129-A132 PolarHBondContact O-N 3.2Å; D130-A132 PolarHBondContact O-N 3.03Å; A132-Q135 PolarHBondContact O-N 2.8Å; A132-Q136 WeakPolarHBondContact O-CG 3.44Å; A132-Q136 PolarHBondContact O-N 2.81Å
133C94.5Very high93.6Very high27 Ų2747 Ų4718%0.18226%0.258CS..Hα-helixtrans-65.8-38.5178.7-72.30000112.7Y119 Q129 D130 Q136 Q138Y119-C133 HydrophobicContact CD1-CB 4.47Å; Y119-C133 HydrophobicContact CD2-CB 3.82Å; Y119-C133 HydrophobicContact CE1-CB 4.21Å; Y119-C133 HydrophobicContact CE2-CB 3.53Å; Y119-C133 HydrophobicContact CG-CB 4.29Å; Q129-C133 PolarHBondContact O-N 3Å; Q129-C133 PolarHBondContact O-SG 3Å; D130-C133 PolarHBondContact O-N 3.4Å; C133-Q136 PolarHBondContact O-N 3.21Å; C133-Q138 PolarHBondContact O-NE2 2.71Å
134L95.2Very high93.9Very high14 Ų1447.1 Ų47.17%0.07326%0.256CS..Hα-helixtrans-69.8-39.8177.6-70.1174.3000112Y119 D130 M131 Q136 G137 Q138 V141 M151 L157Y119-L134 HydrophobicContact CD1-CD2 4.04Å; Y119-L134 HydrophobicContact CD1-CG 4.39Å; D130-L134 WeakPolarHBondContact O-CB 3.48Å; D130-L134 VanDerWaalsContact O-CG 3.25Å; D130-L134 WeakPolarHBondContact O-CG 3.46Å; D130-L134 PolarHBondContact O-N 3.26Å; M131-L134 PolarHBondContact O-N 3.04Å; L134-Q136 VanDerWaalsContact C-N 3.26Å; L134-Q136 PolarHBondContact O-N 2.83Å; L134-G137 PolarHBondContact O-N 2.83Å; L134-Q138 HydrophobicContact CD2-CG 4.38Å; L134-V141 HydrophobicContact CD2-CG2 3.77Å; L134-M151 HydrophobicContact CD1-CB 3.83Å; L134-M151 HydrophobicContact CD1-CG 3.7Å; L134-M151 HydrophobicContact CD1-SD 4.13Å; L134-L157 HydrophobicContact CD1-CB 4.21Å; L134-L157 HydrophobicContact CD2-CD1 4.12Å
135Q93Very high94.5Very high141 Ų14144.3 Ų44.366%0.65923%0.228SC*.Hα-helixtrans-64.1-28.7175.4-75.5174.5-1600113.3M131 A132 G137M131-Q135 WeakPolarHBondContact O-CB 3.4Å; M131-Q135 VanDerWaalsContact O-CG 3.26Å; M131-Q135 WeakPolarHBondContact O-CG 3.44Å; M131-Q135 PolarHBondContact O-N 3.02Å; A132-Q135 PolarHBondContact O-N 2.8Å; Q135-G137 PolarHBondContact O-N 3.48Å
136Q93.6Very high95Very high129 Ų12944.4 Ų44.460%0.60324%0.235SC*.THydrogen-bonded Turntrans-69.2-9.6173.7-73.3172.25.300113.7N86 A132 C133 L134N86-Q136 PolarHBondContact ND2-O 2.85Å; A132-Q136 WeakPolarHBondContact O-CG 3.44Å; A132-Q136 PolarHBondContact O-N 2.81Å; C133-Q136 PolarHBondContact O-N 3.21Å; L134-Q136 VanDerWaalsContact C-N 3.26Å; L134-Q136 PolarHBondContact O-N 2.83Å
137G93.8Very high95.3Very high9 Ų936.4 Ų36.49%0.09321%0.205CC..  trans84123.7-177.800000112.4N86 K117 L134 Q135N86-G137 WeakPolarHBondContact O-CA 3.39Å; N86-G137 PolarHBondContact OD1-O 3.25Å; K117-G137 WeakPolarHBondContact CD-O 3.29Å; L134-G137 PolarHBondContact O-N 2.83Å; Q135-G137 PolarHBondContact O-N 3.48Å
138Q97.2Very high95.5Very high23 Ų2334.3 Ų34.311%0.10719%0.192CC..  trans-128.9135.4177.6-57.7-60.7-36.900107.7T87 C88 Y119 C133 L134 V141T87-Q138 CarbonylContact C-O 3.55Å; C88-Q138 WeakPolarHBondContact CA-O 3.25Å; C88-Q138 PolarHBondContact N-O 2.83Å; Y119-Q138 HydrophobicContact CG-CG 4.41Å; C133-Q138 PolarHBondContact O-NE2 2.71Å; L134-Q138 HydrophobicContact CD2-CG 4.38Å; Q138-V141 HydrophobicContact CB-CG2 4.15Å
139H98.1Very high95.7Very high6 Ų632.8 Ų32.83%0.02818%0.175CC..SBendtrans-76.3-38.1178.5-58.7115.9000111.2I81 V83 S85 Q89 A90 V116 K117I81-H139 HydrophobicContact CD1-CB 4.23Å; V83-H139 PolarHBondContact O-NE2 3.41Å; S85-H139 PolarHBondContact O-CD2 3.03Å; S85-H139 PolarHBondContact O-NE2 3.45Å; Q89-H139 PolarHBondContact N-O 2.94Å; A90-H139 PolarHBondContact N-O 3.25Å; V116-H139 HydrophobicContact CG2-CB 4.05Å; K117-H139 WeakPolarHBondContact CB-ND1 3.38Å; K117-H139 PolarHBondContact N-ND1 3.49Å; K117-H139 WeakPolarHBondContact O-CB 3.48Å; K117-H139 PolarHBondContact O-N 2.83Å
140V98.4Very high95.9Very high0 Ų029.7 Ų29.70%016%0.162CC..EExtended strand (participates in β ladder)trans-127.3132.8-179.5-173.90000109.3I77 I81 A90 V107 V116 K117 C118 Y119 V142I77-V140 HydrophobicContact CG2-CG1 4.48Å; I77-V140 HydrophobicContact CG2-CG2 3.7Å; I81-V140 HydrophobicContact CD1-CG2 4.23Å; A90-V140 HydrophobicContact CB-CG1 4.32Å; A90-V140 HydrophobicContact CB-CG2 4.32Å; A90-V140 WeakPolarHBondContact O-CA 3.3Å; V107-V140 HydrophobicContact CG1-CG2 4.26Å; V116-V140 HydrophobicContact CG2-CG2 4.06Å; K117-V140 PolarHBondContact O-N 3.47Å; C118-V140 VanDerWaalsContact CA-O 3.29Å; C118-V140 WeakPolarHBondContact CA-O 3.29Å; C118-V140 HydrophobicContact CB-CB 4.21Å; Y119-V140 PolarHBondContact N-O 3.45Å; V140-V142 HydrophobicContact CG1-CG2 4.21Å
141V98.3Very high96Very high0 Ų029.7 Ų29.70%016%0.162CC..EExtended strand (participates in β ladder)trans-116.4127.1170.6175.50000108.7A90 L91 V92 C121 L134 Q138 L157A90-V141 PolarHBondContact O-N 3.27Å; L91-V141 CarbonylContact C-O 3.37Å; L91-V141 WeakPolarHBondContact CA-O 3.4Å; L91-V141 HydrophobicContact CD1-CB 4.1Å; L91-V141 HydrophobicContact CD1-CG1 4Å; V92-V141 PolarHBondContact N-O 3.38Å; C121-V141 HydrophobicContact CB-CG1 3.8Å; L134-V141 HydrophobicContact CD2-CG2 3.77Å; Q138-V141 HydrophobicContact CB-CG2 4.15Å; V141-L157 HydrophobicContact CG1-CD2 4.45Å; V141-L157 HydrophobicContact CG2-CD1 3.94Å
142V98.2Very high96.1Very high0 Ų027 Ų270%015%0.149CC..EExtended strand (participates in β ladder)trans-115.5131174.7-174.20000107.7V92 V94 A100 I103 Y119 T120 C121 V140V92-V142 HydrophobicContact CB-CB 4.37Å; V92-V142 HydrophobicContact CB-CG1 4.12Å; V92-V142 HydrophobicContact CB-CG2 4.12Å; V92-V142 HydrophobicContact CG1-CG1 4.23Å; V92-V142 HydrophobicContact CG2-CG2 4.29Å; V92-V142 CarbonylContact O-C 3.58Å; V92-V142 WeakPolarHBondContact O-CA 3.34Å; V94-V142 HydrophobicContact CG1-CG1 4.48Å; V94-V142 HydrophobicContact CG2-CG1 4.41Å; A100-V142 HydrophobicContact CB-CG1 3.98Å; I103-V142 HydrophobicContact CB-CG1 4Å; I103-V142 HydrophobicContact CD1-CG1 4.28Å; I103-V142 HydrophobicContact CG2-CG1 3.95Å; I103-V142 HydrophobicContact CG2-CG2 3.85Å; Y119-V142 PolarHBondContact O-N 2.85Å; T120-V142 CarbonylContact C-O 3.26Å; T120-V142 WeakPolarHBondContact CA-O 3.45Å; C121-V142 PolarHBondContact N-O 3.07Å; V140-V142 HydrophobicContact CG1-CG2 4.21Å
143G97.2Very high96.1Very high0 Ų028.7 Ų28.70%015%0.152CC..EExtended strand (participates in β ladder)trans-166.3167.8-175.500000116.4V92 L93 V94 C121V92-G143 PolarHBondContact O-N 3Å; L93-G143 WeakPolarHBondContact CA-O 3.43Å; V94-G143 PolarHBondContact N-O 2.96Å; C121-G143 WeakPolarHBondContact O-CA 3.4Å
144T95.7Very high96.1Very high13 Ų1333.7 Ų33.78%0.0817%0.167CC..  trans-81.1137.6171.452.90000109.9V94 R97 C121 I122 G146 R147 V148V94-T144 WeakPolarHBondContact O-CA 3.41Å; R97-T144 HydrophobicContact CG-CG2 4Å; C121-T144 PolarHBondContact O-N 3.02Å; C121-T144 VanDerWaalsContact O-N 3.16Å; I122-T144 HydrophobicContact CG2-CG2 4.28Å; T144-G146 VanDerWaalsContact C-N 3.28Å; T144-G146 PolarHBondContact O-N 2.83Å; T144-G146 VanDerWaalsContact O-N 3.09Å; T144-R147 PolarHBondContact O-N 2.9Å; T144-R147 VanDerWaalsContact O-N 3.08Å; T144-V148 PolarHBondContact O-N 3.34Å; T144-V148 VanDerWaalsContact O-N 3.13Å
145P96.4Very high96Very high0 Ų039.9 Ų39.90%020%0.2CC..Hα-helixtrans-46.9-46-174.2-31.934.6000114.3L93 V94 R147 V148 F149 M173 F178 Q181 I185L93-P145 HydrophobicContact CB-CG 4.45Å; L93-P145 HydrophobicContact CD1-CG 4.37Å; V94-P145 VanDerWaalsContact O-CD 3.26Å; V94-P145 WeakPolarHBondContact O-CD 3.39Å; P145-R147 PolarHBondContact O-N 3.42Å; P145-V148 PolarHBondContact O-N 3.25Å; P145-F149 VanDerWaalsContact O-CB 3.24Å; P145-F149 WeakPolarHBondContact O-CB 3.41Å; P145-F149 PolarHBondContact O-N 2.96Å; P145-M173 HydrophobicContact CG-SD 3.88Å; P145-F178 HydrophobicContact CB-CB 4.14Å; P145-F178 HydrophobicContact CB-CD1 4.14Å; P145-F178 HydrophobicContact CB-CG 4.06Å; P145-F178 HydrophobicContact CG-CB 3.95Å; P145-F178 HydrophobicContact CG-CD1 4.39Å; P145-F178 HydrophobicContact CG-CD2 3.94Å; P145-F178 HydrophobicContact CG-CG 3.87Å; P145-Q181 HydrophobicContact CB-CB 4.01Å; P145-I185 HydrophobicContact CB-CD1 4.23Å
146G95.4Very high96Very high36 Ų3633.9 Ų33.937%0.37117%0.173SC..Hα-helixtrans-59.7-44.5-178.300000114.5T144 D150T144-G146 VanDerWaalsContact C-N 3.28Å; T144-G146 PolarHBondContact O-N 2.83Å; T144-G146 VanDerWaalsContact O-N 3.09Å; G146-D150 PolarHBondContact O-N 3.5Å; G146-D150 VanDerWaalsContact O-N 3.15Å
147R95.3Very high96.1Very high29 Ų2928.1 Ų28.111%0.10915%0.146CC..Hα-helixtrans-75.8-37.9179.9179.458.669.787.5-2.2111.9I122 T125 D130 T144 P145 D150 M151I122-R147 PolarHBondContact O-NH1 3.15Å; T125-R147 PolarHBondContact O-NH1 2.79Å; T125-R147 PolarHBondContact O-NH2 3.4Å; T125-R147 PolarHBondContact OG1-NH1 3.45Å; D130-R147 VanDerWaalsContact CG-NH1 3.31Å; D130-R147 IonicContact OD1-NH1 2.68Å; D130-R147 WeakPolarHBondContact OD2-CD 3.2Å; D130-R147 IonicContact OD2-CZ 2.7Å; D130-R147 IonicContact OD2-NH1 3.13Å; D130-R147 PolarHBondContact OD2-NH1 3.32Å; T144-R147 PolarHBondContact O-N 2.9Å; T144-R147 VanDerWaalsContact O-N 3.08Å; P145-R147 PolarHBondContact O-N 3.42Å; R147-D150 PolarHBondContact O-N 3.02Å; R147-M151 WeakPolarHBondContact O-CG 3.41Å; R147-M151 PolarHBondContact O-N 3.01Å
148V97.5Very high96.1Very high0 Ų031.1 Ų31.10%017%0.17CC..Hα-helixtrans-60.1-48174.8171.80000110.5L91 L93 C121 T144 P145 D150 M151 M152 L157 I185L91-V148 HydrophobicContact CD1-CG1 3.89Å; L91-V148 HydrophobicContact CD1-CG2 4.38Å; L91-V148 HydrophobicContact CD2-CG1 4.14Å; L93-V148 HydrophobicContact CD2-CB 4.05Å; L93-V148 HydrophobicContact CD2-CG1 3.96Å; L93-V148 HydrophobicContact CD2-CG2 3.89Å; C121-V148 HydrophobicContact CB-CG2 4.1Å; T144-V148 PolarHBondContact O-N 3.34Å; T144-V148 VanDerWaalsContact O-N 3.13Å; P145-V148 PolarHBondContact O-N 3.25Å; V148-D150 PolarHBondContact O-N 3.11Å; V148-M151 PolarHBondContact O-N 3.27Å; V148-M151 VanDerWaalsContact O-N 3.14Å; V148-M152 HydrophobicContact CG1-CE 3.74Å; V148-M152 HydrophobicContact CG1-SD 4.25Å; V148-M152 WeakPolarHBondContact O-CG 3.29Å; V148-M152 PolarHBondContact O-N 2.95Å; V148-L157 HydrophobicContact CG1-CD2 4.04Å; V148-I185 HydrophobicContact CB-CD1 4.26Å; V148-I185 HydrophobicContact CG1-CD1 4.04Å; V148-I185 HydrophobicContact CG1-CG1 4.48Å
149F96.8Very high96.1Very high52 Ų5231.1 Ų31.123%0.22817%0.172CC..Hα-helixtrans-60.6-42177.9-177.7-118.8000112.5P145 M151 M152 N153 E184 I185 F188P145-F149 VanDerWaalsContact O-CB 3.24Å; P145-F149 WeakPolarHBondContact O-CB 3.41Å; P145-F149 PolarHBondContact O-N 2.96Å; F149-M151 VanDerWaalsContact C-N 3.33Å; F149-M151 PolarHBondContact O-N 3.43Å; F149-M152 PolarHBondContact O-N 2.9Å; F149-N153 WeakPolarHBondContact CD1-ND2 3.47Å; F149-N153 WeakPolarHBondContact CE1-ND2 3.41Å; F149-N153 VanDerWaalsContact CE2-ND2 3.33Å; F149-N153 WeakPolarHBondContact CE2-ND2 3.01Å; F149-N153 WeakPolarHBondContact CZ-ND2 3.45Å; F149-N153 PolarHBondContact O-N 3.41Å; F149-N153 PolarHBondContact O-ND2 3.39Å; F149-N153 VanDerWaalsContact O-ND2 3.15Å; F149-E184 HydrophobicContact CD2-CB 4.05Å; F149-E184 HydrophobicContact CE2-CB 3.46Å; F149-E184 VanDerWaalsContact CE2-CB 3.46Å; F149-E184 HydrophobicContact CE2-CG 4.21Å; F149-E184 HydrophobicContact CZ-CB 3.95Å; F149-E184 HydrophobicContact CZ-CG 4.21Å; F149-I185 HydrophobicContact CB-CD1 4.14Å; F149-I185 HydrophobicContact CB-CG1 4.02Å; F149-I185 HydrophobicContact CD2-CG1 4.13Å; F149-F188 HydrophobicContact CE2-CE2 4.01Å
150D95.9Very high96Very high43 Ų4334.7 Ų34.723%0.2320%0.202CC..Hα-helixtrans-59.1-42.3173.7-179.447.7000111.9G146 R147 V148 N153 R154G146-D150 PolarHBondContact O-N 3.5Å; G146-D150 VanDerWaalsContact O-N 3.15Å; R147-D150 PolarHBondContact O-N 3.02Å; V148-D150 PolarHBondContact O-N 3.11Å; D150-N153 PolarHBondContact O-N 3.45Å; D150-R154 VanDerWaalsContact CG-NE 3.32Å; D150-R154 WeakPolarHBondContact O-CB 3.39Å; D150-R154 VanDerWaalsContact O-CG 3.25Å; D150-R154 WeakPolarHBondContact O-CG 3.29Å; D150-R154 PolarHBondContact O-N 2.66Å; D150-R154 VanDerWaalsContact O-N 3.1Å; D150-R154 IonicContact OD1-CZ 2.64Å; D150-R154 IonicContact OD1-NE 2.88Å; D150-R154 PolarHBondContact OD1-NE 2.95Å; D150-R154 IonicContact OD1-NH2 3.9Å; D150-R154 PolarHBondContact OD1-NH2 2.67Å; D150-R154 VanDerWaalsContact OD1-NH2 3.12Å; D150-R154 IonicContact OD2-CZ 3.2Å; D150-R154 IonicContact OD2-NE 3.98Å; D150-R154 PolarHBondContact OD2-NE 2.64Å; D150-R154 IonicContact OD2-NH2 3.51Å
151M96.2Very high95.9Very high0 Ų038.5 Ų38.50%022%0.223CC..Hα-helixtrans-69.2-34.4177.8-67.1-56.19500112.9C121 T127 D130 M131 L134 R147 V148 F149 N155 T156 L157C121-M151 WeakPolarHBondContact SG-CG 3.4Å; T127-M151 HydrophobicContact CG2-CE 3.51Å; D130-M151 HydrophobicContact CB-SD 3.98Å; M131-M151 HydrophobicContact CG-SD 4.05Å; L134-M151 HydrophobicContact CD1-CB 3.83Å; L134-M151 HydrophobicContact CD1-CG 3.7Å; L134-M151 HydrophobicContact CD1-SD 4.13Å; R147-M151 WeakPolarHBondContact O-CG 3.41Å; R147-M151 PolarHBondContact O-N 3.01Å; V148-M151 PolarHBondContact O-N 3.27Å; V148-M151 VanDerWaalsContact O-N 3.14Å; F149-M151 VanDerWaalsContact C-N 3.33Å; F149-M151 PolarHBondContact O-N 3.43Å; M151-N155 PolarHBondContact O-N 3.48Å; M151-T156 WeakPolarHBondContact CA-OG1 3.39Å; M151-T156 WeakPolarHBondContact CB-OG1 3.45Å; M151-T156 PolarHBondContact O-N 2.96Å; M151-T156 PolarHBondContact O-OG1 2.93Å; M151-T156 PolarHBondContact SD-OG1 3.11Å; M151-T156 VanDerWaalsContact SD-OG1 3.38Å; M151-L157 HydrophobicContact CB-CB 4.09Å; M151-L157 PolarHBondContact O-N 3.01Å
152M96Very high95.8Very high2 Ų238.6 Ų38.61%0.0122%0.223CC..Hα-helixtrans-66.6-47.5173.6-69.5-178.7173.400111.6L91 V148 F149 R154 N155 L157 T159 I185 F188 L189L91-M152 HydrophobicContact CD2-CE 3.32Å; V148-M152 HydrophobicContact CG1-CE 3.74Å; V148-M152 HydrophobicContact CG1-SD 4.25Å; V148-M152 WeakPolarHBondContact O-CG 3.29Å; V148-M152 PolarHBondContact O-N 2.95Å; F149-M152 PolarHBondContact O-N 2.9Å; M152-R154 PolarHBondContact O-N 3.32Å; M152-N155 WeakPolarHBondContact O-CA 3.37Å; M152-N155 PolarHBondContact O-N 2.89Å; M152-L157 HydrophobicContact CE-CD2 3.64Å; M152-L157 HydrophobicContact CE-CG 4.39Å; M152-L157 HydrophobicContact CG-CB 4.2Å; M152-L157 HydrophobicContact CG-CD2 3.94Å; M152-L157 HydrophobicContact CG-CG 4.27Å; M152-T159 HydrophobicContact CE-CG2 3.59Å; M152-T159 HydrophobicContact CG-CG2 4.11Å; M152-T159 HydrophobicContact SD-CG2 4.06Å; M152-I185 HydrophobicContact CE-CG2 3.85Å; M152-I185 HydrophobicContact SD-CB 4.34Å; M152-I185 HydrophobicContact SD-CG1 4.13Å; M152-I185 HydrophobicContact SD-CG2 3.94Å; M152-F188 HydrophobicContact CB-CD1 4.38Å; M152-F188 HydrophobicContact CB-CG 4.43Å; M152-F188 HydrophobicContact SD-CB 4.01Å; M152-F188 HydrophobicContact SD-CD2 4.46Å; M152-F188 HydrophobicContact SD-CG 4.27Å; M152-L189 HydrophobicContact CE-CD2 4.32Å
153N95.1Very high95.8Very high78 Ų7842.6 Ų42.642%0.41724%0.241SC..Hα-helixtrans-62.3-30.6178.6-76.4-42.1000113.3F149 D150 N155 F188F149-N153 WeakPolarHBondContact CD1-ND2 3.47Å; F149-N153 WeakPolarHBondContact CE1-ND2 3.41Å; F149-N153 VanDerWaalsContact CE2-ND2 3.33Å; F149-N153 WeakPolarHBondContact CE2-ND2 3.01Å; F149-N153 WeakPolarHBondContact CZ-ND2 3.45Å; F149-N153 PolarHBondContact O-N 3.41Å; F149-N153 PolarHBondContact O-ND2 3.39Å; F149-N153 VanDerWaalsContact O-ND2 3.15Å; D150-N153 PolarHBondContact O-N 3.45Å; N153-N155 PolarHBondContact O-N 3.42Å; N153-F188 WeakPolarHBondContact OD1-CZ 3.41Å
154R94.2Very high95.8Very high132 Ų13242.6 Ų42.650%0.49824%0.241SC..THydrogen-bonded Turntrans-79.3-0174.1-69173-170.1-88.1-6.9113.5D150 M152 T156D150-R154 VanDerWaalsContact CG-NE 3.32Å; D150-R154 WeakPolarHBondContact O-CB 3.39Å; D150-R154 VanDerWaalsContact O-CG 3.25Å; D150-R154 WeakPolarHBondContact O-CG 3.29Å; D150-R154 PolarHBondContact O-N 2.66Å; D150-R154 VanDerWaalsContact O-N 3.1Å; D150-R154 IonicContact OD1-CZ 2.64Å; D150-R154 IonicContact OD1-NE 2.88Å; D150-R154 PolarHBondContact OD1-NE 2.95Å; D150-R154 IonicContact OD1-NH2 3.9Å; D150-R154 PolarHBondContact OD1-NH2 2.67Å; D150-R154 VanDerWaalsContact OD1-NH2 3.12Å; D150-R154 IonicContact OD2-CZ 3.2Å; D150-R154 IonicContact OD2-NE 3.98Å; D150-R154 PolarHBondContact OD2-NE 2.64Å; D150-R154 IonicContact OD2-NH2 3.51Å; M152-R154 PolarHBondContact O-N 3.32Å; R154-T156 HydrophobicContact CB-CG2 4.02Å; R154-T156 PolarHBondContact O-N 3.39Å
155N93.3Very high96Very high144 Ų14442 Ų4277%0.7724%0.237SC*.THydrogen-bonded Turntrans56.228.8-173.4-56.5-63.4000113.4M151 M152 N153M151-N155 PolarHBondContact O-N 3.48Å; M152-N155 WeakPolarHBondContact O-CA 3.37Å; M152-N155 PolarHBondContact O-N 2.89Å; N153-N155 PolarHBondContact O-N 3.42Å
156T93.8Very high96Very high15 Ų1542 Ų429%0.09224%0.237CC..  trans-92.9-30.7177.757.40000111.9M131 M151 R154M131-T156 HydrophobicContact CB-CG2 4.14Å; M131-T156 HydrophobicContact CE-CG2 3.62Å; M131-T156 HydrophobicContact CG-CG2 3.64Å; M131-T156 HydrophobicContact SD-CG2 4.3Å; M151-T156 WeakPolarHBondContact CA-OG1 3.39Å; M151-T156 WeakPolarHBondContact CB-OG1 3.45Å; M151-T156 PolarHBondContact O-N 2.96Å; M151-T156 PolarHBondContact O-OG1 2.93Å; M151-T156 PolarHBondContact SD-OG1 3.11Å; M151-T156 VanDerWaalsContact SD-OG1 3.38Å; R154-T156 HydrophobicContact CB-CG2 4.02Å; R154-T156 PolarHBondContact O-N 3.39Å
157L95.9Very high96.1Very high8 Ų840.3 Ų40.34%0.04222%0.22CC..SBendtrans-94.5102.1168.817956.1000109.8C88 L91 L134 V141 V148 M151 M152 T159C88-L157 HydrophobicContact CB-CD1 4.05Å; L91-L157 HydrophobicContact CD1-CD2 4.42Å; L134-L157 HydrophobicContact CD1-CB 4.21Å; L134-L157 HydrophobicContact CD2-CD1 4.12Å; V141-L157 HydrophobicContact CG1-CD2 4.45Å; V141-L157 HydrophobicContact CG2-CD1 3.94Å; V148-L157 HydrophobicContact CG1-CD2 4.04Å; M151-L157 HydrophobicContact CB-CB 4.09Å; M151-L157 PolarHBondContact O-N 3.01Å; M152-L157 HydrophobicContact CE-CD2 3.64Å; M152-L157 HydrophobicContact CE-CG 4.39Å; M152-L157 HydrophobicContact CG-CB 4.2Å; M152-L157 HydrophobicContact CG-CD2 3.94Å; M152-L157 HydrophobicContact CG-CG 4.27Å; L157-T159 PolarHBondContact O-N 3.1Å
158A93.9Very high96.1Very high72 Ų7239.1 Ų39.160%0.59522%0.215SC*.  trans-71.1126.4172.700000110.8
159T96Very high95.7Very high24 Ų2439.5 Ų39.515%0.14722%0.217CC..  trans-105-11.6-17557.30000114.4M152 L157 N161 I162 F188 L189 P190M152-T159 HydrophobicContact CE-CG2 3.59Å; M152-T159 HydrophobicContact CG-CG2 4.11Å; M152-T159 HydrophobicContact SD-CG2 4.06Å; L157-T159 PolarHBondContact O-N 3.1Å; T159-N161 PolarHBondContact O-N 2.81Å; T159-I162 HydrophobicContact CG2-CD1 3.88Å; T159-I162 WeakPolarHBondContact O-CB 3.25Å; T159-I162 WeakPolarHBondContact O-CG1 3.35Å; T159-I162 PolarHBondContact O-N 2.66Å; T159-F188 VanDerWaalsContact CB-O 3.25Å; T159-F188 WeakPolarHBondContact CB-O 3.26Å; T159-F188 HydrophobicContact CG2-CB 4.19Å; T159-F188 PolarHBondContact OG1-O 3.43Å; T159-L189 HydrophobicContact CG2-CD2 4.36Å; T159-P190 WeakPolarHBondContact O-CD 3.3Å
160A95.6Very high95.5Very high80 Ų8037.2 Ų37.266%0.66121%0.208SC*.THydrogen-bonded Turntrans-57.6-27.1-171.900000114.6P190A160-P190 WeakPolarHBondContact O-CG 3.04Å
161N96.6Very high95.2Very high80 Ų8035.2 Ų35.243%0.42820%0.197SC..THydrogen-bonded Turntrans-102.55.9-179-64.3-27.7000113.5T87 C88 Q89 T159 K163T87-N161 WeakPolarHBondContact CB-ND2 3.47Å; T87-N161 WeakPolarHBondContact CG2-ND2 3.47Å; T87-N161 PolarHBondContact OG1-ND2 3.18Å; C88-N161 CarbonylContact O-C 3.57Å; C88-N161 VanDerWaalsContact O-C 3.26Å; Q89-N161 WeakPolarHBondContact CA-O 3.29Å; T159-N161 PolarHBondContact O-N 2.81Å; N161-K163 PolarHBondContact O-N 3.27Å
162I97.6Very high94.8Very high2 Ų235.5 Ų35.51%0.0120%0.198CC..  trans-68.6119.6177.9-66.1175.2000108.9C88 L91 T159 I164 L189C88-I162 HydrophobicContact CB-CG1 4.46Å; C88-I162 PolarHBondContact O-N 3.38Å; L91-I162 HydrophobicContact CB-CD1 4.1Å; L91-I162 HydrophobicContact CB-CG2 4.43Å; L91-I162 HydrophobicContact CD2-CD1 4.4Å; T159-I162 HydrophobicContact CG2-CD1 3.88Å; T159-I162 WeakPolarHBondContact O-CB 3.25Å; T159-I162 WeakPolarHBondContact O-CG1 3.35Å; T159-I162 PolarHBondContact O-N 2.66Å; I162-I164 WeakPolarHBondContact CG2-O 3.41Å; I162-L189 HydrophobicContact CB-CD2 4.35Å; I162-L189 HydrophobicContact CD1-CD2 3.67Å; I162-L189 HydrophobicContact CG2-CD2 4.14Å
163K97.2Very high94.6Very high84 Ų8435.4 Ų35.437%0.36520%0.198SC..  trans-103.5-20.5178.8-61.7170.1-175.2166.80112.4Q89 N161 Q194Q89-K163 PolarHBondContact O-N 2.94Å; N161-K163 PolarHBondContact O-N 3.27Å; K163-Q194 PolarHBondContact O-N 3.49Å
164I98.3Very high94.4Very high1 Ų132.9 Ų32.91%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-138129.5-173.1-52.8173.9000109.5I77 R80 Q89 A90 L91 I162 V166 Q194 M196I77-I164 HydrophobicContact CG1-CD1 4.23Å; I77-I164 HydrophobicContact CG1-CG2 4.09Å; R80-I164 HydrophobicContact CB-CD1 3.71Å; R80-I164 HydrophobicContact CG-CD1 4.31Å; Q89-I164 PolarHBondContact O-N 3.36Å; A90-I164 WeakPolarHBondContact CA-O 3.28Å; A90-I164 HydrophobicContact CB-CB 4.16Å; L91-I164 PolarHBondContact N-O 3.12Å; I162-I164 WeakPolarHBondContact CG2-O 3.41Å; I164-V166 HydrophobicContact CG2-CG2 3.87Å; I164-Q194 CarbonylContact C-O 3.52Å; I164-Q194 WeakPolarHBondContact CA-O 3.3Å; I164-M196 HydrophobicContact CG2-SD 4.14Å
165F98.1Very high94Very high0 Ų031 Ų310%018%0.184CC..EExtended strand (participates in β ladder)trans-123.2121.6174.5-177.8-129.2000110L91 L93 L167 I185 L189 Q194 I195 M196L91-F165 HydrophobicContact CB-CD2 4.13Å; L91-F165 HydrophobicContact CD2-CD2 3.88Å; L91-F165 HydrophobicContact CD2-CE2 3.76Å; L91-F165 HydrophobicContact CG-CD2 4.02Å; L91-F165 HydrophobicContact CG-CE2 4.1Å; L91-F165 CarbonylContact O-C 3.52Å; L91-F165 WeakPolarHBondContact O-CA 3.5Å; L93-F165 HydrophobicContact CD1-CE2 3.64Å; L93-F165 HydrophobicContact CD1-CZ 3.53Å; L93-F165 HydrophobicContact CD2-CE2 4.48Å; L93-F165 HydrophobicContact CG-CE2 3.64Å; L93-F165 HydrophobicContact CG-CZ 4.02Å; F165-L167 HydrophobicContact CE1-CD1 4.46Å; F165-L167 HydrophobicContact CE1-CD2 3.73Å; F165-L167 HydrophobicContact CE1-CG 4.1Å; F165-L167 HydrophobicContact CE2-CD2 4.25Å; F165-L167 HydrophobicContact CZ-CD2 3.54Å; F165-L167 HydrophobicContact CZ-CG 4.38Å; F165-I185 HydrophobicContact CE2-CG2 3.9Å; F165-I185 HydrophobicContact CZ-CG2 4.01Å; F165-L189 HydrophobicContact CB-CD1 3.69Å; F165-L189 HydrophobicContact CD1-CD1 3.73Å; F165-L189 HydrophobicContact CD2-CD1 3.61Å; F165-L189 HydrophobicContact CE1-CD1 4.2Å; F165-L189 HydrophobicContact CE2-CD1 4.07Å; F165-L189 HydrophobicContact CG-CD1 3.4Å; F165-L189 VanDerWaalsContact CG-CD1 3.4Å; F165-L189 HydrophobicContact CZ-CD1 4.34Å; F165-Q194 PolarHBondContact N-O 3.28Å; F165-I195 HydrophobicContact CD1-CG1 4.47Å; F165-I195 HydrophobicContact CD1-CG2 4.31Å; F165-I195 CarbonylContact O-C 3.45Å; F165-I195 WeakPolarHBondContact O-CA 3.33Å; F165-M196 PolarHBondContact O-N 3.16Å
166V98Very high93.6Very high0 Ų028.3 Ų28.30%016%0.163CC..EExtended strand (participates in β ladder)trans-116.4131.8-176.9-174.40000110.2F73 I77 L91 V92 L93 I164 M196 L198F73-V166 HydrophobicContact CB-CG1 4.14Å; F73-V166 HydrophobicContact CB-CG2 4.39Å; F73-V166 HydrophobicContact CD1-CG1 4.08Å; F73-V166 HydrophobicContact CD2-CG1 4.18Å; F73-V166 HydrophobicContact CE1-CG1 4.49Å; F73-V166 HydrophobicContact CG-CG1 3.9Å; I77-V166 HydrophobicContact CD1-CG2 3.95Å; I77-V166 HydrophobicContact CG1-CG2 4.43Å; L91-V166 PolarHBondContact O-N 3.08Å; V92-V166 CarbonylContact C-O 3.56Å; V92-V166 WeakPolarHBondContact CA-O 3.29Å; V92-V166 HydrophobicContact CB-CB 4.3Å; V92-V166 HydrophobicContact CG1-CB 4.09Å; V92-V166 HydrophobicContact CG1-CG1 4.2Å; V92-V166 HydrophobicContact CG2-CB 4.04Å; V92-V166 HydrophobicContact CG2-CG2 4.22Å; L93-V166 PolarHBondContact N-O 3.36Å; I164-V166 HydrophobicContact CG2-CG2 3.87Å; V166-M196 CarbonylContact C-O 3.52Å; V166-M196 VanDerWaalsContact CA-O 3.29Å; V166-M196 WeakPolarHBondContact CA-O 3.47Å; V166-M196 HydrophobicContact CG1-CB 4.31Å; V166-M196 HydrophobicContact CG2-CB 4.12Å; V166-M196 HydrophobicContact CG2-CG 4.49Å; V166-M196 HydrophobicContact CG2-SD 4.18Å; V166-L198 HydrophobicContact CG1-CD1 3.62Å
167L96.7Very high93.5Very high1 Ų129.8 Ų29.81%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-109100.8168.7-59.5180000108.1L93 F165 A170 M173 I182 M196 L197 L198 I213L93-L167 HydrophobicContact CB-CD2 3.93Å; L93-L167 HydrophobicContact CD1-CD2 3.87Å; L93-L167 HydrophobicContact CG-CD2 4.2Å; F165-L167 HydrophobicContact CE1-CD1 4.46Å; F165-L167 HydrophobicContact CE1-CD2 3.73Å; F165-L167 HydrophobicContact CE1-CG 4.1Å; F165-L167 HydrophobicContact CE2-CD2 4.25Å; F165-L167 HydrophobicContact CZ-CD2 3.54Å; F165-L167 HydrophobicContact CZ-CG 4.38Å; L167-A170 HydrophobicContact CB-CB 4.19Å; L167-M173 HydrophobicContact CB-CE 3.71Å; L167-M173 HydrophobicContact CD2-CE 3.85Å; L167-M173 HydrophobicContact CG-CE 4.34Å; L167-I182 HydrophobicContact CD1-CG2 4.09Å; L167-I182 HydrophobicContact CD2-CG1 4.47Å; L167-I182 HydrophobicContact CD2-CG2 4.07Å; L167-M196 PolarHBondContact N-O 3.14Å; L167-L197 HydrophobicContact CB-CG 4.43Å; L167-L197 HydrophobicContact CD1-CD1 4.35Å; L167-L198 PolarHBondContact O-N 3.19Å; L167-I213 HydrophobicContact CD1-CD1 3.81Å
168D94.5Very high93.3Very high3 Ų331.5 Ų31.52%0.01619%0.188CC..EExtended strand (participates in β ladder)trans-96.3139.4175.3-168.623.8000110.4F73 L93 V94 P95 A170 M173F73-D168 HydrophobicContact CE1-CB 3.98Å; F73-D168 WeakPolarHBondContact CE1-OD2 3.26Å; F73-D168 HydrophobicContact CZ-CB 4.33Å; L93-D168 PolarHBondContact O-N 2.86Å; V94-D168 HydrophobicContact CG1-CB 4Å; P95-D168 VanDerWaalsContact CD-O 3.3Å; P95-D168 WeakPolarHBondContact CD-O 3.23Å; D168-A170 VanDerWaalsContact C-N 3.3Å; D168-A170 PolarHBondContact O-N 2.93Å; D168-M173 WeakPolarHBondContact O-CE 3.39Å
169E90.5Very high93.2Very high9 Ų931.4 Ų31.44%0.04218%0.175CC..THydrogen-bonded Turntrans50.949.4-170.1-59.9-169.3159.900112.2P95 L99 D171 Q172 M173 L198 R320 G321P95-E169 HydrophobicContact CG-CB 3.74Å; L99-E169 HydrophobicContact CD2-CB 4.49Å; L99-E169 HydrophobicContact CD2-CG 3.98Å; L99-E169 WeakPolarHBondContact CD2-OE2 3.19Å; E169-D171 VanDerWaalsContact C-N 3.28Å; E169-D171 PolarHBondContact O-N 2.85Å; E169-Q172 HydrophobicContact CB-CB 4.28Å; E169-Q172 WeakPolarHBondContact O-CB 3.4Å; E169-Q172 PolarHBondContact O-N 2.87Å; E169-Q172 PolarHBondContact OE2-OE1 2.99Å; E169-M173 PolarHBondContact O-N 3.46Å; E169-M173 VanDerWaalsContact O-N 3.15Å; E169-L198 PolarHBondContact N-O 2.92Å; E169-R320 WeakPolarHBondContact OE2-CB 3.29Å; E169-G321 WeakPolarHBondContact OE1-CA 3.33Å; E169-G321 PolarHBondContact OE1-N 3.46Å; E169-G321 PolarHBondContact OE2-N 3.05Å
170A92.3Very high93.1Very high3 Ų334 Ų343%0.02519%0.192CC..Hα-helixtrans-56.8-39.4-174.700000113.1L167 D168 Q172 M173 L174 L197 L198 I206L167-A170 HydrophobicContact CB-CB 4.19Å; D168-A170 VanDerWaalsContact C-N 3.3Å; D168-A170 PolarHBondContact O-N 2.93Å; A170-Q172 VanDerWaalsContact C-N 3.28Å; A170-Q172 PolarHBondContact O-N 3.44Å; A170-M173 HydrophobicContact CB-CE 4.34Å; A170-M173 PolarHBondContact O-N 2.96Å; A170-M173 VanDerWaalsContact O-N 3.08Å; A170-L174 WeakPolarHBondContact O-CG 3.04Å; A170-L174 PolarHBondContact O-N 3.23Å; A170-L174 VanDerWaalsContact O-N 3.12Å; A170-L197 HydrophobicContact CB-CD1 4.34Å; A170-L197 HydrophobicContact CB-CD2 3.89Å; A170-L197 HydrophobicContact CB-CG 3.89Å; A170-L198 PolarHBondContact N-O 2.77Å; A170-I206 HydrophobicContact CB-CD1 3.66Å; A170-I206 WeakPolarHBondContact O-CD1 3.38Å
171D89.5Confident93Very high2 Ų233 Ų331%0.01117%0.174CC..Hα-helixtrans-53.3-45.5173.257-31.1000111.5E169 M173 L174 D175 S199 T201 I206 R320 H344E169-D171 VanDerWaalsContact C-N 3.28Å; E169-D171 PolarHBondContact O-N 2.85Å; D171-M173 PolarHBondContact O-N 2.81Å; D171-L174 PolarHBondContact O-N 2.93Å; D171-D175 VanDerWaalsContact O-CG 3.25Å; D171-D175 PolarHBondContact O-N 3.47Å; D171-S199 WeakPolarHBondContact CB-OG 3.47Å; D171-S199 PolarHBondContact OD1-OG 2.99Å; D171-S199 PolarHBondContact OD2-OG 3.06Å; D171-T201 VanDerWaalsContact CB-OG1 3.23Å; D171-T201 WeakPolarHBondContact CB-OG1 3.3Å; D171-T201 PolarHBondContact OD2-OG1 3.24Å; D171-I206 HydrophobicContact CB-CD1 4.35Å; D171-I206 HydrophobicContact CB-CG1 4.24Å; D171-R320 IonicContact OD2-NH1 3.71Å; D171-H344 IonicContact OD2-CE1 3.44Å; D171-H344 PolarHBondContact OD2-CE1 2.96Å; D171-H344 IonicContact OD2-NE2 2.93Å; D171-H344 PolarHBondContact OD2-NE2 2.73Å
172Q87.2Confident92.9Very high6 Ų629.3 Ų29.33%0.02815%0.154CC..Hα-helixtrans-66.9-37176.8-163.8176.937.200113.3P95 E169 A170 L174 D175 R176 R320P95-Q172 HydrophobicContact CB-CB 3.81Å; P95-Q172 HydrophobicContact CB-CG 3.68Å; P95-Q172 HydrophobicContact CG-CB 3.89Å; P95-Q172 HydrophobicContact CG-CG 4.08Å; E169-Q172 HydrophobicContact CB-CB 4.28Å; E169-Q172 WeakPolarHBondContact O-CB 3.4Å; E169-Q172 PolarHBondContact O-N 2.87Å; E169-Q172 PolarHBondContact OE2-OE1 2.99Å; A170-Q172 VanDerWaalsContact C-N 3.28Å; A170-Q172 PolarHBondContact O-N 3.44Å; Q172-L174 PolarHBondContact O-N 2.79Å; Q172-D175 PolarHBondContact O-N 2.7Å; Q172-R176 HydrophobicContact CG-CG 4.42Å; Q172-R176 WeakPolarHBondContact O-CB 3.47Å; Q172-R176 VanDerWaalsContact O-CG 3.3Å; Q172-R176 WeakPolarHBondContact O-CG 3.44Å; Q172-R176 PolarHBondContact O-N 2.92Å; Q172-R320 VanDerWaalsContact CD-CD 3.44Å; Q172-R320 VanDerWaalsContact OE1-CB 3.29Å
173M91.5Very high92.7Very high0 Ų032.9 Ų32.90%017%0.17CC..Hα-helixtrans-62-36.4177.3-67.6-167-77.300111L93 P95 P145 L167 D168 E169 A170 D171 R176 G177 F178 I182L93-M173 HydrophobicContact CB-CE 4.26Å; L93-M173 HydrophobicContact CB-SD 3.87Å; P95-M173 HydrophobicContact CB-CG 3.85Å; P95-M173 HydrophobicContact CG-CG 4.38Å; P145-M173 HydrophobicContact CG-SD 3.88Å; L167-M173 HydrophobicContact CB-CE 3.71Å; L167-M173 HydrophobicContact CD2-CE 3.85Å; L167-M173 HydrophobicContact CG-CE 4.34Å; D168-M173 WeakPolarHBondContact O-CE 3.39Å; E169-M173 PolarHBondContact O-N 3.46Å; E169-M173 VanDerWaalsContact O-N 3.15Å; A170-M173 HydrophobicContact CB-CE 4.34Å; A170-M173 PolarHBondContact O-N 2.96Å; A170-M173 VanDerWaalsContact O-N 3.08Å; D171-M173 PolarHBondContact O-N 2.81Å; M173-R176 PolarHBondContact O-N 3.05Å; M173-G177 PolarHBondContact O-N 3.35Å; M173-F178 HydrophobicContact CB-CB 4.26Å; M173-F178 HydrophobicContact CB-CD2 4.22Å; M173-F178 HydrophobicContact CG-CD2 4.38Å; M173-F178 VanDerWaalsContact O-CB 3.28Å; M173-F178 WeakPolarHBondContact O-CB 3.44Å; M173-F178 PolarHBondContact O-N 3.19Å; M173-I182 HydrophobicContact CB-CD1 3.82Å; M173-I182 HydrophobicContact CE-CD1 4.23Å; M173-I182 HydrophobicContact SD-CD1 4.15Å
174L90.7Very high92.6Very high24 Ų2432 Ų3213%0.12617%0.167CC..Hα-helixtrans-72.4-42.4175.8-54.5-166000112.8A170 D171 Q172 R176 G177 E179 I182 I206 I209A170-L174 WeakPolarHBondContact O-CG 3.04Å; A170-L174 PolarHBondContact O-N 3.23Å; A170-L174 VanDerWaalsContact O-N 3.12Å; D171-L174 PolarHBondContact O-N 2.93Å; Q172-L174 PolarHBondContact O-N 2.79Å; L174-R176 PolarHBondContact O-N 2.88Å; L174-R176 VanDerWaalsContact O-N 3.15Å; L174-G177 WeakPolarHBondContact O-CA 3.34Å; L174-G177 PolarHBondContact O-N 2.95Å; L174-E179 HydrophobicContact CD2-CB 3.89Å; L174-E179 HydrophobicContact CD2-CG 4.4Å; L174-I182 HydrophobicContact CD2-CD1 4.22Å; L174-I206 HydrophobicContact CD1-CD1 3.35Å; L174-I206 HydrophobicContact CD1-CG1 3.79Å; L174-I206 HydrophobicContact CG-CD1 3.67Å; L174-I209 HydrophobicContact CD1-CD1 3.42Å; L174-I209 VanDerWaalsContact CD1-CD1 3.42Å; L174-I209 HydrophobicContact CD1-CG1 4.42Å; L174-I209 HydrophobicContact CD2-CD1 3.12Å; L174-I209 HydrophobicContact CG-CD1 3.85Å
175D86.1Confident92.5Very high92 Ų9231.9 Ų31.949%0.49217%0.167SC..Hα-helixtrans-56.5-31.7175.3-66.8-18.4000111.6D171 Q172 G177 R320D171-D175 VanDerWaalsContact O-CG 3.25Å; D171-D175 PolarHBondContact O-N 3.47Å; Q172-D175 PolarHBondContact O-N 2.7Å; D175-G177 VanDerWaalsContact C-N 3.3Å; D175-R320 IonicContact OD2-CZ 3.65Å; D175-R320 IonicContact OD2-NH1 2.74Å; D175-R320 PolarHBondContact OD2-NH1 3.04Å; D175-R320 IonicContact OD2-NH2 2.76Å; D175-R320 PolarHBondContact OD2-NH2 2.9Å
176R86.4Confident92.4Very high89 Ų8935.6 Ų35.634%0.33618%0.181SC..THydrogen-bonded Turntrans-85.73.8176.9-68178.8-179.8-134.3-2.1114.1P95 T96 Q172 M173 L174 F178P95-R176 PolarHBondContact O-NH1 3.41Å; P95-R176 VanDerWaalsContact O-NH1 3.14Å; T96-R176 VanDerWaalsContact CG2-NH2 3.34Å; Q172-R176 HydrophobicContact CG-CG 4.42Å; Q172-R176 WeakPolarHBondContact O-CB 3.47Å; Q172-R176 VanDerWaalsContact O-CG 3.3Å; Q172-R176 WeakPolarHBondContact O-CG 3.44Å; Q172-R176 PolarHBondContact O-N 2.92Å; M173-R176 PolarHBondContact O-N 3.05Å; L174-R176 PolarHBondContact O-N 2.88Å; L174-R176 VanDerWaalsContact O-N 3.15Å; R176-F178 VanDerWaalsContact C-N 3.35Å; R176-F178 HydrophobicContact CB-CD2 3.85Å; R176-F178 HydrophobicContact CB-CE2 3.81Å; R176-F178 HydrophobicContact CB-CZ 4.46Å; R176-F178 PolarHBondContact O-N 3.05Å
177G90.6Very high92.2Very high45 Ų4543.8 Ų43.846%0.46421%0.212SC..THydrogen-bonded Turntrans72.322.5179.500000114.4M173 L174 D175 E179 P180 Q181M173-G177 PolarHBondContact O-N 3.35Å; L174-G177 WeakPolarHBondContact O-CA 3.34Å; L174-G177 PolarHBondContact O-N 2.95Å; D175-G177 VanDerWaalsContact C-N 3.3Å; G177-E179 PolarHBondContact O-N 3.35Å; G177-P180 WeakPolarHBondContact O-CD 3.49Å; G177-Q181 PolarHBondContact O-OE1 3.49Å
178F92.2Very high92.2Very high45 Ų4547.2 Ų47.220%0.19723%0.227CC..  trans-80.82.6177.9-65.1-48.2000114.4P145 M173 R176 Q181 I182P145-F178 HydrophobicContact CB-CB 4.14Å; P145-F178 HydrophobicContact CB-CD1 4.14Å; P145-F178 HydrophobicContact CB-CG 4.06Å; P145-F178 HydrophobicContact CG-CB 3.95Å; P145-F178 HydrophobicContact CG-CD1 4.39Å; P145-F178 HydrophobicContact CG-CD2 3.94Å; P145-F178 HydrophobicContact CG-CG 3.87Å; M173-F178 HydrophobicContact CB-CB 4.26Å; M173-F178 HydrophobicContact CB-CD2 4.22Å; M173-F178 HydrophobicContact CG-CD2 4.38Å; M173-F178 VanDerWaalsContact O-CB 3.28Å; M173-F178 WeakPolarHBondContact O-CB 3.44Å; M173-F178 PolarHBondContact O-N 3.19Å; R176-F178 VanDerWaalsContact C-N 3.35Å; R176-F178 HydrophobicContact CB-CD2 3.85Å; R176-F178 HydrophobicContact CB-CE2 3.81Å; R176-F178 HydrophobicContact CB-CZ 4.46Å; R176-F178 PolarHBondContact O-N 3.05Å; F178-Q181 PolarHBondContact O-N 2.95Å; F178-Q181 VanDerWaalsContact O-N 3.17Å; F178-Q181 PolarHBondContact O-OE1 3.21Å; F178-I182 HydrophobicContact CB-CD1 4.39Å; F178-I182 WeakPolarHBondContact O-CG1 3.07Å; F178-I182 PolarHBondContact O-N 2.87Å
179E92.3Very high92.2Very high69 Ų6947.9 Ų47.932%0.32223%0.231SC..Hα-helixtrans-51.2-48.6178.9-177.7177.1168.900113.2L174 G177 Q181 I182 K183 I209L174-E179 HydrophobicContact CD2-CB 3.89Å; L174-E179 HydrophobicContact CD2-CG 4.4Å; G177-E179 PolarHBondContact O-N 3.35Å; E179-Q181 PolarHBondContact O-N 3.4Å; E179-I182 PolarHBondContact O-N 2.9Å; E179-K183 HydrophobicContact CG-CD 4.44Å; E179-K183 PolarHBondContact O-N 2.94Å; E179-K183 VanDerWaalsContact O-N 3.11Å; E179-K183 VanDerWaalsContact OE1-CE 3.29Å; E179-K183 WeakPolarHBondContact OE1-CE 3.48Å; E179-K183 IonicContact OE1-NZ 2.65Å; E179-K183 PolarHBondContact OE1-NZ 2.98Å; E179-I209 HydrophobicContact CB-CD1 4.36Å; E179-I209 HydrophobicContact CG-CD1 3.69Å; E179-I209 HydrophobicContact CG-CG1 4.39Å
180P92.6Very high92.5Very high78 Ų7849.1 Ų49.151%0.50624%0.239SC..Hα-helixtrans-61.3-43.9179.2-2235.2000111.9G177 I182 K183 E184G177-P180 WeakPolarHBondContact O-CD 3.49Å; P180-I182 PolarHBondContact O-N 3.46Å; P180-K183 PolarHBondContact O-N 3.18Å; P180-E184 WeakPolarHBondContact O-CG 3.39Å; P180-E184 PolarHBondContact O-N 3.04Å
181Q93.5Very high92.6Very high60 Ų6058.3 Ų58.328%0.2828%0.282SS..Hα-helixtrans-65.9-37.4-179.8-66.881.8-2.100112P145 G177 F178 E179 E184 I185P145-Q181 HydrophobicContact CB-CB 4.01Å; G177-Q181 PolarHBondContact O-OE1 3.49Å; F178-Q181 PolarHBondContact O-N 2.95Å; F178-Q181 VanDerWaalsContact O-N 3.17Å; F178-Q181 PolarHBondContact O-OE1 3.21Å; E179-Q181 PolarHBondContact O-N 3.4Å; Q181-E184 PolarHBondContact O-N 2.7Å; Q181-I185 WeakPolarHBondContact O-CB 3.3Å; Q181-I185 WeakPolarHBondContact O-CD1 3.27Å; Q181-I185 VanDerWaalsContact O-CG1 3.23Å; Q181-I185 WeakPolarHBondContact O-CG1 3.38Å; Q181-I185 PolarHBondContact O-N 2.68Å
182I94.8Very high92.8Very high2 Ų264.2 Ų64.21%0.0132%0.318CS..Hα-helixtrans-61.9-45.9175.2-69.8165.9000110.2L93 L167 M173 L174 F178 E179 P180 I185 Y186L93-I182 HydrophobicContact CD1-CG1 4.19Å; L167-I182 HydrophobicContact CD1-CG2 4.09Å; L167-I182 HydrophobicContact CD2-CG1 4.47Å; L167-I182 HydrophobicContact CD2-CG2 4.07Å; M173-I182 HydrophobicContact CB-CD1 3.82Å; M173-I182 HydrophobicContact CE-CD1 4.23Å; M173-I182 HydrophobicContact SD-CD1 4.15Å; L174-I182 HydrophobicContact CD2-CD1 4.22Å; F178-I182 HydrophobicContact CB-CD1 4.39Å; F178-I182 WeakPolarHBondContact O-CG1 3.07Å; F178-I182 PolarHBondContact O-N 2.87Å; E179-I182 PolarHBondContact O-N 2.9Å; P180-I182 PolarHBondContact O-N 3.46Å; I182-I185 PolarHBondContact O-N 3.18Å; I182-Y186 WeakPolarHBondContact O-CB 3.19Å; I182-Y186 PolarHBondContact O-N 3.31Å
183K93.7Very high93.2Very high77 Ų7764.5 Ų64.534%0.33532%0.321SS..Hα-helixtrans-63.2-41.5177.9-72.5179-177.4169.30112.2E179 P180 Y186 R187E179-K183 HydrophobicContact CG-CD 4.44Å; E179-K183 PolarHBondContact O-N 2.94Å; E179-K183 VanDerWaalsContact O-N 3.11Å; E179-K183 VanDerWaalsContact OE1-CE 3.29Å; E179-K183 WeakPolarHBondContact OE1-CE 3.48Å; E179-K183 IonicContact OE1-NZ 2.65Å; E179-K183 PolarHBondContact OE1-NZ 2.98Å; P180-K183 PolarHBondContact O-N 3.18Å; K183-Y186 PolarHBondContact O-N 2.69Å; K183-R187 WeakPolarHBondContact O-CG 3.42Å; K183-R187 PolarHBondContact O-N 3.4Å
184E94.7Very high93.5Very high65 Ų6564.8 Ų64.830%0.30432%0.323SS..Hα-helixtrans-65.9-46.6175.9-66.6-53.9144.500111.5F149 P180 Q181 Y186 R187 F188F149-E184 HydrophobicContact CD2-CB 4.05Å; F149-E184 HydrophobicContact CE2-CB 3.46Å; F149-E184 VanDerWaalsContact CE2-CB 3.46Å; F149-E184 HydrophobicContact CE2-CG 4.21Å; F149-E184 HydrophobicContact CZ-CB 3.95Å; F149-E184 HydrophobicContact CZ-CG 4.21Å; P180-E184 WeakPolarHBondContact O-CG 3.39Å; P180-E184 PolarHBondContact O-N 3.04Å; Q181-E184 PolarHBondContact O-N 2.7Å; E184-Y186 VanDerWaalsContact C-N 3.27Å; E184-Y186 PolarHBondContact O-N 2.73Å; E184-R187 WeakPolarHBondContact O-CB 3.17Å; E184-R187 PolarHBondContact O-N 3.46Å; E184-R187 VanDerWaalsContact O-N 3.08Å; E184-R187 IonicContact OE1-CZ 3.73Å; E184-R187 IonicContact OE1-NH1 3.85Å; E184-R187 PolarHBondContact OE1-NH1 2.91Å; E184-R187 IonicContact OE1-NH2 2.6Å; E184-R187 IonicContact OE2-CZ 2.92Å; E184-R187 IonicContact OE2-NH1 2.66Å; E184-R187 PolarHBondContact OE2-NH1 3.44Å; E184-F188 VanDerWaalsContact O-CD2 3.28Å; E184-F188 WeakPolarHBondContact O-CD2 3.39Å
185I96.5Very high93.8Very high0 Ų063.8 Ų63.80%032%0.317CS..Hα-helixtrans-55.9-44.7176.2-72.5165.7000110.8L91 L93 P145 V148 F149 M152 F165 Q181 I182 R187 F188L91-I185 HydrophobicContact CD2-CG2 3.83Å; L93-I185 HydrophobicContact CD1-CB 4.5Å; L93-I185 HydrophobicContact CD1-CD1 3.66Å; L93-I185 HydrophobicContact CD1-CG2 4.19Å; L93-I185 HydrophobicContact CD2-CD1 4.08Å; P145-I185 HydrophobicContact CB-CD1 4.23Å; V148-I185 HydrophobicContact CB-CD1 4.26Å; V148-I185 HydrophobicContact CG1-CD1 4.04Å; V148-I185 HydrophobicContact CG1-CG1 4.48Å; F149-I185 HydrophobicContact CB-CD1 4.14Å; F149-I185 HydrophobicContact CB-CG1 4.02Å; F149-I185 HydrophobicContact CD2-CG1 4.13Å; M152-I185 HydrophobicContact CE-CG2 3.85Å; M152-I185 HydrophobicContact SD-CB 4.34Å; M152-I185 HydrophobicContact SD-CG1 4.13Å; M152-I185 HydrophobicContact SD-CG2 3.94Å; F165-I185 HydrophobicContact CE2-CG2 3.9Å; F165-I185 HydrophobicContact CZ-CG2 4.01Å; Q181-I185 WeakPolarHBondContact O-CB 3.3Å; Q181-I185 WeakPolarHBondContact O-CD1 3.27Å; Q181-I185 VanDerWaalsContact O-CG1 3.23Å; Q181-I185 WeakPolarHBondContact O-CG1 3.38Å; Q181-I185 PolarHBondContact O-N 2.68Å; I182-I185 PolarHBondContact O-N 3.18Å; I185-R187 VanDerWaalsContact C-N 3.25Å; I185-R187 PolarHBondContact O-N 3.33Å; I185-F188 WeakPolarHBondContact O-CB 3.35Å; I185-F188 PolarHBondContact O-N 3.34Å
186Y95.4Very high94.4Very high77 Ų7759.5 Ų59.530%0.30229%0.294SS..Hα-helixtrans-56.6-37.9178.4174.8-110.8000112.6I182 K183 E184 F188 L189 I195 I213I182-Y186 WeakPolarHBondContact O-CB 3.19Å; I182-Y186 PolarHBondContact O-N 3.31Å; K183-Y186 PolarHBondContact O-N 2.69Å; E184-Y186 VanDerWaalsContact C-N 3.27Å; E184-Y186 PolarHBondContact O-N 2.73Å; Y186-F188 PolarHBondContact O-N 3.15Å; Y186-L189 HydrophobicContact CD2-CD1 4.44Å; Y186-L189 WeakPolarHBondContact O-CB 3.25Å; Y186-L189 PolarHBondContact O-N 2.86Å; Y186-I195 HydrophobicContact CD2-CD1 4.03Å; Y186-I195 HydrophobicContact CE2-CD1 3.52Å; Y186-I213 HydrophobicContact CD1-CB 4.33Å; Y186-I213 HydrophobicContact CD1-CG2 3.78Å; Y186-I213 HydrophobicContact CD2-CB 4.19Å; Y186-I213 HydrophobicContact CD2-CG2 4.31Å; Y186-I213 HydrophobicContact CE1-CB 4.16Å; Y186-I213 HydrophobicContact CE1-CG2 3.97Å; Y186-I213 HydrophobicContact CE2-CB 4.05Å; Y186-I213 HydrophobicContact CG-CB 4.33Å; Y186-I213 HydrophobicContact CG-CG2 3.94Å; Y186-I213 PolarHBondContact OH-O 2.9Å; Y186-I213 VanDerWaalsContact OH-O 3.14Å
187R95Very high94.9Very high173 Ų17355.3 Ų55.365%0.65328%0.279SS*.Hα-helixtrans-65.2-20.8177.2-67.2173.5-177.9163.74.3114.3K183 E184 I185 L189K183-R187 WeakPolarHBondContact O-CG 3.42Å; K183-R187 PolarHBondContact O-N 3.4Å; E184-R187 WeakPolarHBondContact O-CB 3.17Å; E184-R187 PolarHBondContact O-N 3.46Å; E184-R187 VanDerWaalsContact O-N 3.08Å; E184-R187 IonicContact OE1-CZ 3.73Å; E184-R187 IonicContact OE1-NH1 3.85Å; E184-R187 PolarHBondContact OE1-NH1 2.91Å; E184-R187 IonicContact OE1-NH2 2.6Å; E184-R187 IonicContact OE2-CZ 2.92Å; E184-R187 IonicContact OE2-NH1 2.66Å; E184-R187 PolarHBondContact OE2-NH1 3.44Å; I185-R187 VanDerWaalsContact C-N 3.25Å; I185-R187 PolarHBondContact O-N 3.33Å; R187-L189 VanDerWaalsContact C-N 3.32Å
188F95.5Very high95Very high73 Ų7353.2 Ų53.232%0.3226%0.257SS..THydrogen-bonded Turntrans-82.2-10.8174.4-76.5-93.5000113F149 M152 N153 T159 E184 I185 Y186F149-F188 HydrophobicContact CE2-CE2 4.01Å; M152-F188 HydrophobicContact CB-CD1 4.38Å; M152-F188 HydrophobicContact CB-CG 4.43Å; M152-F188 HydrophobicContact SD-CB 4.01Å; M152-F188 HydrophobicContact SD-CD2 4.46Å; M152-F188 HydrophobicContact SD-CG 4.27Å; N153-F188 WeakPolarHBondContact OD1-CZ 3.41Å; T159-F188 VanDerWaalsContact CB-O 3.25Å; T159-F188 WeakPolarHBondContact CB-O 3.26Å; T159-F188 HydrophobicContact CG2-CB 4.19Å; T159-F188 PolarHBondContact OG1-O 3.43Å; E184-F188 VanDerWaalsContact O-CD2 3.28Å; E184-F188 WeakPolarHBondContact O-CD2 3.39Å; I185-F188 WeakPolarHBondContact O-CB 3.35Å; I185-F188 PolarHBondContact O-N 3.34Å; Y186-F188 PolarHBondContact O-N 3.15Å
189L96.4Very high95Very high17 Ų1751.1 Ų51.19%0.08925%0.248CC..SBendtrans-88.4151.7-174.5-54.6-177.3000111.5L91 M152 T159 I162 F165 Y186 R187L91-L189 HydrophobicContact CD2-CD2 4.24Å; M152-L189 HydrophobicContact CE-CD2 4.32Å; T159-L189 HydrophobicContact CG2-CD2 4.36Å; I162-L189 HydrophobicContact CB-CD2 4.35Å; I162-L189 HydrophobicContact CD1-CD2 3.67Å; I162-L189 HydrophobicContact CG2-CD2 4.14Å; F165-L189 HydrophobicContact CB-CD1 3.69Å; F165-L189 HydrophobicContact CD1-CD1 3.73Å; F165-L189 HydrophobicContact CD2-CD1 3.61Å; F165-L189 HydrophobicContact CE1-CD1 4.2Å; F165-L189 HydrophobicContact CE2-CD1 4.07Å; F165-L189 HydrophobicContact CG-CD1 3.4Å; F165-L189 VanDerWaalsContact CG-CD1 3.4Å; F165-L189 HydrophobicContact CZ-CD1 4.34Å; Y186-L189 HydrophobicContact CD2-CD1 4.44Å; Y186-L189 WeakPolarHBondContact O-CB 3.25Å; Y186-L189 PolarHBondContact O-N 2.86Å; R187-L189 VanDerWaalsContact C-N 3.32Å
190P96Very high94.5Very high34 Ų3448 Ų4822%0.22123%0.233CC..  trans-60142.6169.9-22.234.2000111.6T159 A160 T192 A193T159-P190 WeakPolarHBondContact O-CD 3.3Å; A160-P190 WeakPolarHBondContact O-CG 3.04Å; P190-T192 PolarHBondContact O-N 3.38Å; P190-T192 VanDerWaalsContact O-N 3.09Å; P190-A193 VanDerWaalsContact O-CB 3.23Å; P190-A193 WeakPolarHBondContact O-CB 3.4Å; P190-A193 PolarHBondContact O-N 2.92Å
191E93.5Very high94.1Very high197 Ų19744.8 Ų44.892%0.92121%0.213SC*.THydrogen-bonded Turntrans-59.4-23.3176.9-64.5-177.8171.700113.1A193E191-A193 VanDerWaalsContact C-N 3.29Å; E191-A193 PolarHBondContact O-N 3.17Å
192T93.9Very high93.8Very high126 Ų12643.3 Ų43.377%0.77321%0.206SC*.THydrogen-bonded Turntrans-83-0.8178.459.10000113.8P190 Q194P190-T192 PolarHBondContact O-N 3.38Å; P190-T192 VanDerWaalsContact O-N 3.09Å; T192-Q194 PolarHBondContact O-N 2.95Å
193A96.5Very high93.4Very high12 Ų1245.1 Ų45.110%0.09922%0.218CC..  trans-70.2125.2-17800000110.7P190 E191P190-A193 VanDerWaalsContact O-CB 3.23Å; P190-A193 WeakPolarHBondContact O-CB 3.4Å; P190-A193 PolarHBondContact O-N 2.92Å; E191-A193 VanDerWaalsContact C-N 3.29Å; E191-A193 PolarHBondContact O-N 3.17Å
194Q97.6Very high93.1Very high5 Ų550.6 Ų50.62%0.02324%0.242CC..EExtended strand (participates in β ladder)trans-65.7138.8170.8177.2-165.921.200109.7S53 R57 K163 I164 F165 T192 M196S53-Q194 PolarHBondContact O-NE2 3Å; S53-Q194 PolarHBondContact O-OE1 3.48Å; R57-Q194 WeakPolarHBondContact O-CG 3.42Å; R57-Q194 PolarHBondContact O-NE2 2.71Å; K163-Q194 PolarHBondContact O-N 3.49Å; I164-Q194 CarbonylContact C-O 3.52Å; I164-Q194 WeakPolarHBondContact CA-O 3.3Å; F165-Q194 PolarHBondContact N-O 3.28Å; T192-Q194 PolarHBondContact O-N 2.95Å; Q194-M196 HydrophobicContact CG-CG 4.48Å
195I97.6Very high92.8Very high3 Ų350.2 Ų50.22%0.01525%0.246CC..EExtended strand (participates in β ladder)trans-111.3130.8176.4-52.6-175.7000110.9D58 V59 F165 Y186 I213 M214D58-I195 CarbonylContact C-O 3.53Å; D58-I195 VanDerWaalsContact CA-O 3.23Å; D58-I195 WeakPolarHBondContact CA-O 3.45Å; D58-I195 PolarHBondContact OD1-N 2.99Å; V59-I195 PolarHBondContact N-O 3.03Å; F165-I195 HydrophobicContact CD1-CG1 4.47Å; F165-I195 HydrophobicContact CD1-CG2 4.31Å; F165-I195 CarbonylContact O-C 3.45Å; F165-I195 WeakPolarHBondContact O-CA 3.33Å; Y186-I195 HydrophobicContact CD2-CD1 4.03Å; Y186-I195 HydrophobicContact CE2-CD1 3.52Å; I195-I213 HydrophobicContact CD1-CB 3.71Å; I195-I213 HydrophobicContact CD1-CD1 4.19Å; I195-I213 HydrophobicContact CD1-CG1 3.74Å; I195-I213 WeakPolarHBondContact CD1-O 3.41Å; I195-I213 HydrophobicContact CG2-CD1 4.04Å; I195-I213 HydrophobicContact CG2-CG1 4.3Å; I195-M214 HydrophobicContact CB-CE 4.12Å; I195-M214 HydrophobicContact CB-CG 4.05Å; I195-M214 HydrophobicContact CD1-CG 4.35Å; I195-M214 HydrophobicContact CG2-CE 4.03Å; I195-M214 HydrophobicContact CG2-CG 3.88Å; I195-M214 HydrophobicContact CG2-SD 4.26Å; I195-M214 WeakPolarHBondContact O-CE 3.41Å
196M97.6Very high92.5Very high2 Ų250.3 Ų50.31%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-120.4119.4172.5-55.717763.100109.4S53 V59 F73 I164 F165 V166 L167 Q194 L198S53-M196 WeakPolarHBondContact OG-CE 3.16Å; V59-M196 CarbonylContact O-C 3.57Å; V59-M196 WeakPolarHBondContact O-CA 3.18Å; F73-M196 HydrophobicContact CB-CE 3.64Å; F73-M196 HydrophobicContact CB-SD 4.26Å; I164-M196 HydrophobicContact CG2-SD 4.14Å; F165-M196 PolarHBondContact O-N 3.16Å; V166-M196 CarbonylContact C-O 3.52Å; V166-M196 VanDerWaalsContact CA-O 3.29Å; V166-M196 WeakPolarHBondContact CA-O 3.47Å; V166-M196 HydrophobicContact CG1-CB 4.31Å; V166-M196 HydrophobicContact CG2-CB 4.12Å; V166-M196 HydrophobicContact CG2-CG 4.49Å; V166-M196 HydrophobicContact CG2-SD 4.18Å; L167-M196 PolarHBondContact N-O 3.14Å; Q194-M196 HydrophobicContact CG-CG 4.48Å; M196-L198 HydrophobicContact CB-CD1 4.15Å
197L96.5Very high92.2Very high1 Ų148.9 Ų48.91%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-110.4118.1177.2-169.9158.1000109.2V59 I60 A61 L167 A170 M202 I206 A210 M214V59-L197 PolarHBondContact O-N 3.49Å; I60-L197 WeakPolarHBondContact CA-O 3.33Å; I60-L197 HydrophobicContact CG2-CD2 4.48Å; A61-L197 PolarHBondContact N-O 2.98Å; L167-L197 HydrophobicContact CB-CG 4.43Å; L167-L197 HydrophobicContact CD1-CD1 4.35Å; A170-L197 HydrophobicContact CB-CD1 4.34Å; A170-L197 HydrophobicContact CB-CD2 3.89Å; A170-L197 HydrophobicContact CB-CG 3.89Å; L197-M202 HydrophobicContact CD2-CE 3.79Å; L197-M202 HydrophobicContact CD2-SD 4.11Å; L197-I206 HydrophobicContact CD1-CG2 4.15Å; L197-I206 HydrophobicContact CD2-CG2 3.79Å; L197-A210 HydrophobicContact CD1-CB 4.05Å; L197-M214 HydrophobicContact CB-CE 4.42Å; L197-M214 HydrophobicContact CB-SD 4.11Å
198L94.3Very high91.9Very high2 Ų244 Ų441%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-118.1130.8178-62.897.9000110.4A61 K69 F73 V166 L167 E169 A170 M196A61-L198 HydrophobicContact CB-CD2 4.21Å; A61-L198 HydrophobicContact CB-CG 4.18Å; A61-L198 WeakPolarHBondContact O-CA 3.43Å; K69-L198 HydrophobicContact CB-CD2 3.81Å; K69-L198 HydrophobicContact CD-CB 4.47Å; K69-L198 HydrophobicContact CD-CD2 4.48Å; K69-L198 HydrophobicContact CG-CD2 4.16Å; F73-L198 HydrophobicContact CB-CD1 4.19Å; F73-L198 HydrophobicContact CD1-CD1 3.8Å; F73-L198 HydrophobicContact CD1-CD2 3.92Å; F73-L198 HydrophobicContact CD1-CG 4.46Å; F73-L198 HydrophobicContact CG-CD1 4.37Å; V166-L198 HydrophobicContact CG1-CD1 3.62Å; L167-L198 PolarHBondContact O-N 3.19Å; E169-L198 PolarHBondContact N-O 2.92Å; A170-L198 PolarHBondContact N-O 2.77Å; M196-L198 HydrophobicContact CB-CD1 4.15Å
199S90.4Very high91.7Very high0 Ų040.7 Ų40.70%022%0.222CC..EExtended strand (participates in β ladder)trans-152.9161.2176.3-176.10000111.6A61 Q62 A63 D171 T201A61-S199 PolarHBondContact O-N 3.23Å; Q62-S199 WeakPolarHBondContact CA-O 3.44Å; A63-S199 PolarHBondContact N-O 3.37Å; D171-S199 WeakPolarHBondContact CB-OG 3.47Å; D171-S199 PolarHBondContact OD1-OG 2.99Å; D171-S199 PolarHBondContact OD2-OG 3.06Å; S199-T201 VanDerWaalsContact CB-O 3.29Å; S199-T201 WeakPolarHBondContact CB-O 3.07Å; S199-T201 PolarHBondContact OG-N 3.37Å; S199-T201 PolarHBondContact OG-O 2.98Å
200A83.4Confident91.5Very high3 Ų340.1 Ų40.13%0.02522%0.22CC..SBendtrans-81.6-28.8168.400000111.9Q62 A63 I343 H344Q62-A200 PolarHBondContact NE2-O 2.79Å; A63-A200 VanDerWaalsContact O-CA 3.3Å; A63-A200 WeakPolarHBondContact O-CA 3.33Å; A200-I343 HydrophobicContact CB-CD1 4.31Å; A200-H344 VanDerWaalsContact CB-CE1 3.48Å; A200-H344 WeakPolarHBondContact CB-CE1 3.49Å
201T83.4Confident91.2Very high12 Ų1248.2 Ų48.27%0.07425%0.246CC..  trans-124.2150.1-176.767.70000110.1D171 S199 P203 E340 I343D171-T201 VanDerWaalsContact CB-OG1 3.23Å; D171-T201 WeakPolarHBondContact CB-OG1 3.3Å; D171-T201 PolarHBondContact OD2-OG1 3.24Å; S199-T201 VanDerWaalsContact CB-O 3.29Å; S199-T201 WeakPolarHBondContact CB-O 3.07Å; S199-T201 PolarHBondContact OG-N 3.37Å; S199-T201 PolarHBondContact OG-O 2.98Å; T201-P203 WeakPolarHBondContact O-CD 3.44Å; T201-E340 HydrophobicContact CG2-CB 4.27Å; T201-E340 HydrophobicContact CG2-CG 4.04Å; T201-I343 HydrophobicContact CG2-CD1 3.58Å
202M87.7Confident91.1Very high29 Ų2942 Ų4214%0.14322%0.224CC..  trans-124.565.1177.5-67.7-66.3177.200110.5I60 Q62 L197 I206 L207 L221I60-M202 HydrophobicContact CG2-CE 3.46Å; I60-M202 VanDerWaalsContact CG2-CE 3.46Å; I60-M202 HydrophobicContact CG2-SD 3.98Å; Q62-M202 HydrophobicContact CB-CE 3.9Å; Q62-M202 HydrophobicContact CB-CG 4.03Å; Q62-M202 HydrophobicContact CG-CE 4.47Å; Q62-M202 HydrophobicContact CG-CG 3.95Å; L197-M202 HydrophobicContact CD2-CE 3.79Å; L197-M202 HydrophobicContact CD2-SD 4.11Å; M202-I206 HydrophobicContact SD-CG2 3.53Å; M202-I206 VanDerWaalsContact SD-CG2 3.53Å; M202-L207 HydrophobicContact CB-CD2 4.48Å; M202-L221 HydrophobicContact CG-CD2 4.13Å
203P85.4Confident91Very high40 Ų4036.5 Ų36.526%0.2619%0.19SC..  trans-63.3162.2172.929.1-35.6000110.7T201 S205 I206 L207T201-P203 WeakPolarHBondContact O-CD 3.44Å; P203-S205 PolarHBondContact O-N 3.49Å; P203-S205 VanDerWaalsContact O-N 3.11Å; P203-I206 HydrophobicContact CG-CB 4.17Å; P203-I206 HydrophobicContact CG-CG1 3.7Å; P203-I206 PolarHBondContact O-N 3.46Å; P203-L207 PolarHBondContact O-N 3.46Å; P203-L207 VanDerWaalsContact O-N 3.16Å
204K87.7Confident90.9Very high192 Ų19236.8 Ų36.884%0.83519%0.189SC*.Hα-helixtrans-55.8-32.5-179.1-68.7-178179.4177.50113L207 S208K204-L207 PolarHBondContact O-N 2.9Å; K204-S208 WeakPolarHBondContact O-CB 3.48Å; K204-S208 PolarHBondContact O-N 3.15Å
205S88.4Confident90.6Very high57 Ų5744.1 Ų44.140%0.39922%0.223SC..Hα-helixtrans-61.6-44.6175.848.80000112.2P203 S208 I209P203-S205 PolarHBondContact O-N 3.49Å; P203-S205 VanDerWaalsContact O-N 3.11Å; S205-S208 WeakPolarHBondContact O-CB 3.33Å; S205-S208 PolarHBondContact O-N 2.89Å; S205-I209 PolarHBondContact O-N 3.4Å; S205-I209 VanDerWaalsContact O-N 3.1Å
206I90.5Very high90.4Very high2 Ų248.8 Ų48.81%0.0125%0.248CC..Hα-helixtrans-64.7-46.2176.3-69.7-72.9000111.2A170 D171 L174 L197 M202 P203 S208 I209 A210A170-I206 HydrophobicContact CB-CD1 3.66Å; A170-I206 WeakPolarHBondContact O-CD1 3.38Å; D171-I206 HydrophobicContact CB-CD1 4.35Å; D171-I206 HydrophobicContact CB-CG1 4.24Å; L174-I206 HydrophobicContact CD1-CD1 3.35Å; L174-I206 HydrophobicContact CD1-CG1 3.79Å; L174-I206 HydrophobicContact CG-CD1 3.67Å; L197-I206 HydrophobicContact CD1-CG2 4.15Å; L197-I206 HydrophobicContact CD2-CG2 3.79Å; M202-I206 HydrophobicContact SD-CG2 3.53Å; M202-I206 VanDerWaalsContact SD-CG2 3.53Å; P203-I206 HydrophobicContact CG-CB 4.17Å; P203-I206 HydrophobicContact CG-CG1 3.7Å; P203-I206 PolarHBondContact O-N 3.46Å; I206-S208 PolarHBondContact O-N 3.41Å; I206-I209 PolarHBondContact O-N 3.15Å; I206-I209 VanDerWaalsContact O-N 3.15Å; I206-A210 PolarHBondContact O-N 3.45Å
207L88.6Confident90.3Very high46 Ų4649.7 Ų49.724%0.24125%0.254CS..Hα-helixtrans-61-34.7176.2-65.7175.5000112M202 P203 K204 R211M202-L207 HydrophobicContact CB-CD2 4.48Å; P203-L207 PolarHBondContact O-N 3.46Å; P203-L207 VanDerWaalsContact O-N 3.16Å; K204-L207 PolarHBondContact O-N 2.9Å; L207-R211 VanDerWaalsContact O-CG 3.26Å; L207-R211 WeakPolarHBondContact O-CG 3.36Å; L207-R211 PolarHBondContact O-N 3.35Å
208S89.7Confident90.3Very high70 Ų7049.8 Ų49.849%0.4926%0.255SS..Hα-helixtrans-65.5-41.8175.4-170.60000112.1K204 S205 I206 S212K204-S208 WeakPolarHBondContact O-CB 3.48Å; K204-S208 PolarHBondContact O-N 3.15Å; S205-S208 WeakPolarHBondContact O-CB 3.33Å; S205-S208 PolarHBondContact O-N 2.89Å; I206-S208 PolarHBondContact O-N 3.41Å; S208-S212 PolarHBondContact O-N 3.29Å
209I90.6Very high90.3Very high5 Ų553.2 Ų53.23%0.02627%0.271CS..Hα-helixtrans-66.9-46176.5-69.5178.6000110.5L174 E179 S205 I206 R211 S212 I213L174-I209 HydrophobicContact CD1-CD1 3.42Å; L174-I209 VanDerWaalsContact CD1-CD1 3.42Å; L174-I209 HydrophobicContact CD1-CG1 4.42Å; L174-I209 HydrophobicContact CD2-CD1 3.12Å; L174-I209 HydrophobicContact CG-CD1 3.85Å; E179-I209 HydrophobicContact CB-CD1 4.36Å; E179-I209 HydrophobicContact CG-CD1 3.69Å; E179-I209 HydrophobicContact CG-CG1 4.39Å; S205-I209 PolarHBondContact O-N 3.4Å; S205-I209 VanDerWaalsContact O-N 3.1Å; I206-I209 PolarHBondContact O-N 3.15Å; I206-I209 VanDerWaalsContact O-N 3.15Å; I209-R211 VanDerWaalsContact C-N 3.3Å; I209-R211 PolarHBondContact O-N 3.15Å; I209-S212 WeakPolarHBondContact CA-OG 3.23Å; I209-S212 WeakPolarHBondContact O-CA 3.5Å; I209-S212 PolarHBondContact O-N 3.44Å; I209-S212 PolarHBondContact O-OG 3.42Å; I209-I213 HydrophobicContact CG2-CD1 3.96Å; I209-I213 WeakPolarHBondContact O-CG1 3.44Å; I209-I213 PolarHBondContact O-N 3.1Å
210A91.9Very high90.4Very high4 Ų453.3 Ų53.33%0.03327%0.271CS..Hα-helixtrans-53.2-48.1176.900000111.3I60 L197 I206 S212 I213 M214I60-A210 HydrophobicContact CD1-CB 3.69Å; I60-A210 HydrophobicContact CG1-CB 4.4Å; L197-A210 HydrophobicContact CD1-CB 4.05Å; I206-A210 PolarHBondContact O-N 3.45Å; A210-S212 PolarHBondContact O-N 2.95Å; A210-I213 PolarHBondContact O-N 3.48Å; A210-M214 HydrophobicContact CB-SD 3.89Å; A210-M214 WeakPolarHBondContact O-CB 3.06Å; A210-M214 VanDerWaalsContact O-CG 3.26Å; A210-M214 WeakPolarHBondContact O-CG 3.33Å; A210-M214 PolarHBondContact O-N 3.44Å
211R91Very high90.7Very high205 Ų20554.4 Ų54.477%0.77428%0.277SS*.Hα-helixtrans-62.2-25.6175.9-71.4173.8-165.3171.73114.3L207 I209L207-R211 VanDerWaalsContact O-CG 3.26Å; L207-R211 WeakPolarHBondContact O-CG 3.36Å; L207-R211 PolarHBondContact O-N 3.35Å; I209-R211 VanDerWaalsContact C-N 3.3Å; I209-R211 PolarHBondContact O-N 3.15Å
212S90.7Very high90.6Very high67 Ų6754.8 Ų54.847%0.46928%0.278SS..Hα-helixtrans-86-20.7-177.771.80000114.1S208 I209 A210S208-S212 PolarHBondContact O-N 3.29Å; I209-S212 WeakPolarHBondContact CA-OG 3.23Å; I209-S212 WeakPolarHBondContact O-CA 3.5Å; I209-S212 PolarHBondContact O-N 3.44Å; I209-S212 PolarHBondContact O-OG 3.42Å; A210-S212 PolarHBondContact O-N 2.95Å
213I92.5Very high89.7Confident10 Ų1056.9 Ų56.95%0.05129%0.287CS..Hα-helixtrans-118.6-25.4-175.869-176.6000113.1L167 Y186 I195 I209 A210L167-I213 HydrophobicContact CD1-CD1 3.81Å; Y186-I213 HydrophobicContact CD1-CB 4.33Å; Y186-I213 HydrophobicContact CD1-CG2 3.78Å; Y186-I213 HydrophobicContact CD2-CB 4.19Å; Y186-I213 HydrophobicContact CD2-CG2 4.31Å; Y186-I213 HydrophobicContact CE1-CB 4.16Å; Y186-I213 HydrophobicContact CE1-CG2 3.97Å; Y186-I213 HydrophobicContact CE2-CB 4.05Å; Y186-I213 HydrophobicContact CG-CB 4.33Å; Y186-I213 HydrophobicContact CG-CG2 3.94Å; Y186-I213 PolarHBondContact OH-O 2.9Å; Y186-I213 VanDerWaalsContact OH-O 3.14Å; I195-I213 HydrophobicContact CD1-CB 3.71Å; I195-I213 HydrophobicContact CD1-CD1 4.19Å; I195-I213 HydrophobicContact CD1-CG1 3.74Å; I195-I213 WeakPolarHBondContact CD1-O 3.41Å; I195-I213 HydrophobicContact CG2-CD1 4.04Å; I195-I213 HydrophobicContact CG2-CG1 4.3Å; I209-I213 HydrophobicContact CG2-CD1 3.96Å; I209-I213 WeakPolarHBondContact O-CG1 3.44Å; I209-I213 PolarHBondContact O-N 3.1Å; A210-I213 PolarHBondContact O-N 3.48Å
214M94.2Very high88.6Confident17 Ų1763.3 Ų63.38%0.08431%0.31CS..  trans-102.9149.3-172.4-49.3-179.379.400112.3D58 V59 I60 I195 L197 A210 P217D58-M214 HydrophobicContact CB-CB 4.29Å; D58-M214 HydrophobicContact CB-CE 3.74Å; D58-M214 WeakPolarHBondContact OD2-CA 3.34Å; D58-M214 WeakPolarHBondContact OD2-CB 3.44Å; V59-M214 WeakPolarHBondContact O-CE 3.08Å; I60-M214 HydrophobicContact CD1-SD 4Å; I60-M214 HydrophobicContact CG1-CE 3.84Å; I60-M214 HydrophobicContact CG1-SD 3.56Å; I60-M214 VanDerWaalsContact CG1-SD 3.56Å; I195-M214 HydrophobicContact CB-CE 4.12Å; I195-M214 HydrophobicContact CB-CG 4.05Å; I195-M214 HydrophobicContact CD1-CG 4.35Å; I195-M214 HydrophobicContact CG2-CE 4.03Å; I195-M214 HydrophobicContact CG2-CG 3.88Å; I195-M214 HydrophobicContact CG2-SD 4.26Å; I195-M214 WeakPolarHBondContact O-CE 3.41Å; L197-M214 HydrophobicContact CB-CE 4.42Å; L197-M214 HydrophobicContact CB-SD 4.11Å; A210-M214 HydrophobicContact CB-SD 3.89Å; A210-M214 WeakPolarHBondContact O-CB 3.06Å; A210-M214 VanDerWaalsContact O-CG 3.26Å; A210-M214 WeakPolarHBondContact O-CG 3.33Å; A210-M214 PolarHBondContact O-N 3.44Å; M214-P217 HydrophobicContact CB-CB 4.28Å; M214-P217 HydrophobicContact CB-CG 4.3Å; M214-P217 HydrophobicContact CE-CB 3.91Å; M214-P217 HydrophobicContact SD-CB 4.36Å
215H90.2Very high87Confident159 Ų15961.1 Ų61.174%0.73630%0.303SS*.SBendtrans-116.9116.2177.3-179.8-71.2000111.4D58D58-H215 PolarHBondContact OD2-N 3.44Å
216D93Very high85.5Confident102 Ų10260.9 Ų60.955%0.54530%0.296SS..SBendtrans42.860.5-178.7-17342.8000113.2R57R57-D216 PolarHBondContact NH2-O 3.34Å; R57-D216 IonicContact NH2-OD2 2.73Å; R57-D216 PolarHBondContact NH2-OD2 3.26Å
217P96.1Very high83.9Confident21 Ų2161.7 Ų61.714%0.13630%0.3CS..  trans-71.4142.7-174.330.1-35.1000111.3N13 D58 I60 M214 Q219N13-P217 PolarHBondContact ND2-O 3.11Å; D58-P217 HydrophobicContact CB-CB 3.93Å; D58-P217 CarbonylContact O-C 3.59Å; D58-P217 WeakPolarHBondContact O-CA 3.22Å; I60-P217 HydrophobicContact CD1-CB 4.07Å; I60-P217 HydrophobicContact CD1-CG 3.73Å; I60-P217 HydrophobicContact CG1-CB 4.03Å; I60-P217 HydrophobicContact CG1-CG 4.26Å; M214-P217 HydrophobicContact CB-CB 4.28Å; M214-P217 HydrophobicContact CB-CG 4.3Å; M214-P217 HydrophobicContact CE-CB 3.91Å; M214-P217 HydrophobicContact SD-CB 4.36Å; P217-Q219 PolarHBondContact O-N 3.36Å
218V96.3Very high82.3Confident2 Ų260.7 Ų60.71%0.01230%0.296CS..EExtended strand (participates in β ladder)trans-64.2126160.5169.40000108.1N13 Y14 P52 R57 D58 V59 I60 I220N13-V218 VanDerWaalsContact OD1-CA 3.25Å; N13-V218 WeakPolarHBondContact OD1-CA 3.28Å; Y14-V218 VanDerWaalsContact CB-CG1 3.41Å; Y14-V218 HydrophobicContact CD2-CG2 3.87Å; Y14-V218 HydrophobicContact CG-CG1 4.08Å; Y14-V218 HydrophobicContact CG-CG2 4.25Å; P52-V218 HydrophobicContact CB-CB 4.26Å; P52-V218 HydrophobicContact CB-CG1 4.16Å; P52-V218 HydrophobicContact CB-CG2 3.9Å; P52-V218 HydrophobicContact CG-CG1 4.06Å; R57-V218 HydrophobicContact CB-CG2 4.1Å; R57-V218 HydrophobicContact CG-CG2 4.46Å; D58-V218 PolarHBondContact O-N 3.27Å; V59-V218 CarbonylContact C-O 3.54Å; V59-V218 WeakPolarHBondContact CA-O 3.5Å; V59-V218 HydrophobicContact CG2-CB 4.23Å; I60-V218 PolarHBondContact N-O 2.96Å; V218-I220 HydrophobicContact CG1-CD1 4.27Å; V218-I220 HydrophobicContact CG1-CG1 4.1Å
219Q94.4Very high81.1Confident74 Ų7458.2 Ų58.235%0.34628%0.277SS..EExtended strand (participates in β ladder)trans-107.7127.2179.7-64.1-175.1-12.300108.1T12 N13 I60 P217 L221T12-Q219 WeakPolarHBondContact CA-O 3.14Å; T12-Q219 WeakPolarHBondContact CB-O 3.42Å; T12-Q219 PolarHBondContact OG1-O 2.92Å; N13-Q219 PolarHBondContact N-O 2.9Å; N13-Q219 PolarHBondContact OD1-N 2.95Å; I60-Q219 HydrophobicContact CD1-CG 4.35Å; P217-Q219 PolarHBondContact O-N 3.36Å; Q219-L221 HydrophobicContact CB-CD1 4.46Å; Q219-L221 HydrophobicContact CB-CG 4.23Å
220I92.6Very high80Confident2 Ų263.8 Ų63.81%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-127.691.4172.6-57.7164.2000105.1I10 I45 R48 A49 I60 Q62 V218I10-I220 HydrophobicContact CG2-CG2 3.73Å; I45-I220 HydrophobicContact CD1-CB 4.35Å; I45-I220 HydrophobicContact CD1-CG2 3.64Å; R48-I220 HydrophobicContact CB-CD1 3.85Å; R48-I220 HydrophobicContact CB-CG1 4.43Å; R48-I220 HydrophobicContact CB-CG2 4.29Å; A49-I220 VanDerWaalsContact CA-CD1 3.43Å; A49-I220 HydrophobicContact CB-CD1 3.55Å; I60-I220 PolarHBondContact O-N 3.24Å; Q62-I220 PolarHBondContact N-O 2.99Å; V218-I220 HydrophobicContact CG1-CD1 4.27Å; V218-I220 HydrophobicContact CG1-CG1 4.1Å
221L89.5Confident79Confident26 Ų2664.7 Ų64.714%0.13632%0.316CS..EExtended strand (participates in β ladder)trans-108.3149.3-172.9-55.2-178.6000110.2I10 E11 I60 Q62 M202 Q219I10-L221 CarbonylContact C-O 3.57Å; I10-L221 WeakPolarHBondContact CA-O 3.42Å; E11-L221 HydrophobicContact CB-CB 4.34Å; E11-L221 PolarHBondContact N-O 3.28Å; E11-L221 PolarHBondContact O-N 3.35Å; I60-L221 HydrophobicContact CG2-CD2 3.97Å; Q62-L221 HydrophobicContact CB-CD2 4.03Å; M202-L221 HydrophobicContact CG-CD2 4.13Å; Q219-L221 HydrophobicContact CB-CD1 4.46Å; Q219-L221 HydrophobicContact CB-CG 4.23Å
222I81.1Confident78.6Confident21 Ų2155.3 Ų55.311%0.10828%0.281CS..EExtended strand (participates in β ladder)trans-100.2134.5173.5-61.4175.7000107.1Q62 A63 K224 E226Q62-I222 WeakPolarHBondContact O-CG1 3.16Å; Q62-I222 PolarHBondContact OE1-O 3.39Å; A63-I222 HydrophobicContact CB-CD1 4.41Å; I222-K224 PolarHBondContact O-N 3.49Å; I222-E226 HydrophobicContact CG2-CB 4.21Å
223K69.6Low78.4Confident73 Ų7358 Ų5832%0.31729%0.285SS..  trans-56136.7173.6-74.1176.7177170.80110S8 E9 E11 E225 E226S8-K223 WeakPolarHBondContact O-CE 3.11Å; S8-K223 PolarHBondContact O-NZ 3.16Å; E9-K223 PolarHBondContact O-N 2.94Å; E9-K223 VanDerWaalsContact O-N 3.08Å; E11-K223 HydrophobicContact CG-CG 3.98Å; K223-E225 PolarHBondContact O-N 2.93Å; K223-E225 VanDerWaalsContact O-N 3.08Å; K223-E226 PolarHBondContact O-N 3.28Å
224K61.1Low78.4Confident174 Ų17458.2 Ų58.276%0.75729%0.286SS*.G310 helixtrans-55.5-33.3-175.1-74.1-176.8177.2-178.70113.4I222 E226 L227I222-K224 PolarHBondContact O-N 3.49Å; K224-E226 PolarHBondContact O-N 3.13Å; K224-L227 PolarHBondContact O-N 3.09Å
225E55.5Low78.4Confident146 Ų14657.7 Ų57.768%0.68228%0.283SS*.G310 helixtrans-66.4-18.2-177.1-65.8168.7-172.800112.8K223K223-E225 PolarHBondContact O-N 2.93Å; K223-E225 VanDerWaalsContact O-N 3.08Å
226E56.6Low78.6Confident52 Ų5252.4 Ų52.424%0.24326%0.257CS..G310 helixtrans-113.616.7-175.2-67157-178.700112.2E9 I222 K223 K224 T228E9-E226 WeakPolarHBondContact CA-OE2 3.34Å; E9-E226 WeakPolarHBondContact CB-OE2 3.33Å; E9-E226 HydrophobicContact CG-CG 4.46Å; E9-E226 WeakPolarHBondContact CG-OE1 3.32Å; E9-E226 WeakPolarHBondContact CG-OE2 3.25Å; I222-E226 HydrophobicContact CG2-CB 4.21Å; K223-E226 PolarHBondContact O-N 3.28Å; K224-E226 PolarHBondContact O-N 3.13Å; E226-T228 PolarHBondContact O-N 2.96Å
227L56.2Low78.8Confident19 Ų1948.9 Ų48.910%0.09924%0.238CC..  trans-68.5-9.5173.6-81.6164.9000112.8Q64 K224Q64-L227 VanDerWaalsContact NE2-C 3.29Å; Q64-L227 PolarHBondContact NE2-O 3.08Å; K224-L227 PolarHBondContact O-N 3.09Å
228T56.4Low78.7Confident25 Ų2550.8 Ų50.815%0.15325%0.247CC..SBendtrans-66140.5177.853.10000111.9Q64 E226 D230 F377Q64-T228 VanDerWaalsContact NE2-C 3.33Å; Q64-T228 PolarHBondContact NE2-O 3.38Å; E226-T228 PolarHBondContact O-N 2.96Å; T228-D230 PolarHBondContact O-N 2.99Å; T228-D230 PolarHBondContact OG1-OD1 3.14Å; T228-F377 WeakPolarHBondContact CG2-O 3.4Å
229L64.1Low78.7Confident18 Ų1851.1 Ų51.19%0.09425%0.249CC..  trans-88.486.2175.5-70.9148.4000107.4Q64 G231 I232 I346 G347Q64-L229 HydrophobicContact CB-CD2 4.22Å; Q64-L229 HydrophobicContact CG-CD2 4.29Å; L229-G231 PolarHBondContact O-N 3.05Å; L229-I232 HydrophobicContact CB-CB 4.19Å; L229-I232 HydrophobicContact CB-CD1 3.76Å; L229-I232 HydrophobicContact CB-CG1 3.81Å; L229-I232 HydrophobicContact CD1-CD1 3.82Å; L229-I232 HydrophobicContact CD2-CD1 4.49Å; L229-I232 HydrophobicContact CG-CD1 4.24Å; L229-I232 PolarHBondContact O-N 2.89Å; L229-I346 HydrophobicContact CD1-CD1 4.23Å; L229-I346 HydrophobicContact CD1-CG1 3.92Å; L229-G347 VanDerWaalsContact CD1-CA 3.48Å
230D66.5Low78.6Confident122 Ų12250 Ų5065%0.65225%0.249SC*.THydrogen-bonded Turntrans-55.3-20.2-176.3-65.3-14.3000114T228 I232T228-D230 PolarHBondContact O-N 2.99Å; T228-D230 PolarHBondContact OG1-OD1 3.14Å; D230-I232 VanDerWaalsContact C-N 3.29Å; D230-I232 PolarHBondContact O-N 3.25Å
231G72.5Confident78.6Confident23 Ų2355.9 Ų55.924%0.23728%0.275CS..THydrogen-bonded Turntrans-78.5-4.1173.900000115.2L229 K355 G356L229-G231 PolarHBondContact O-N 3.05Å; G231-K355 WeakPolarHBondContact O-CA 3.3Å; G231-G356 PolarHBondContact O-N 3.02Å
232I80.8Confident78.7Confident8 Ų857.8 Ų57.84%0.04128%0.283CS..EExtended strand (participates in β ladder)trans-116.6114.5-173.1-52.7-171.6000110.5L229 D230 Q234 I346 G356 A358L229-I232 HydrophobicContact CB-CB 4.19Å; L229-I232 HydrophobicContact CB-CD1 3.76Å; L229-I232 HydrophobicContact CB-CG1 3.81Å; L229-I232 HydrophobicContact CD1-CD1 3.82Å; L229-I232 HydrophobicContact CD2-CD1 4.49Å; L229-I232 HydrophobicContact CG-CD1 4.24Å; L229-I232 PolarHBondContact O-N 2.89Å; D230-I232 VanDerWaalsContact C-N 3.29Å; D230-I232 PolarHBondContact O-N 3.25Å; I232-Q234 HydrophobicContact CG2-CG 4.29Å; I232-I346 WeakPolarHBondContact CD1-O 3.28Å; I232-G356 CarbonylContact C-O 3.55Å; I232-G356 VanDerWaalsContact CA-O 3.3Å; I232-G356 WeakPolarHBondContact CA-O 3.46Å; I232-A358 HydrophobicContact CG2-CB 3.92Å
233K87.3Confident79.2Confident124 Ų12463.4 Ų63.454%0.53931%0.313SS..EExtended strand (participates in β ladder)trans-76.1128.7170-67.8-65.9-176.3-176.80109.1F235 G356 T357 A358 F391K233-F235 HydrophobicContact CB-CE2 3.72Å; K233-F235 HydrophobicContact CB-CZ 4.11Å; K233-G356 PolarHBondContact N-O 2.66Å; K233-T357 CarbonylContact O-C 3.15Å; K233-T357 WeakPolarHBondContact O-CA 3.38Å; K233-A358 PolarHBondContact O-N 3.34Å; K233-F391 HydrophobicContact CG-CD1 4.17Å
234Q91.9Very high80.4Confident15 Ų1565.3 Ų65.37%0.0732%0.319CS..EExtended strand (participates in β ladder)trans-116.4124.1-173.1-63.217068.900108.9I232 Y342 I346 A358 T379 I381 L382I232-Q234 HydrophobicContact CG2-CG 4.29Å; Q234-Y342 PolarHBondContact OE1-OH 2.95Å; Q234-I346 HydrophobicContact CG-CD1 4.19Å; Q234-A358 WeakPolarHBondContact CA-O 3.24Å; Q234-A358 HydrophobicContact CG-CB 4.36Å; Q234-T379 PolarHBondContact NE2-OG1 3.32Å; Q234-I381 HydrophobicContact CB-CB 4.38Å; Q234-I381 HydrophobicContact CB-CG1 3.99Å; Q234-I381 HydrophobicContact CB-CG2 4.21Å; Q234-L382 PolarHBondContact O-N 3.39Å
235F94.3Very high82.1Confident5 Ų557 Ų572%0.02228%0.283CS..EExtended strand (participates in β ladder)trans-125.6161.3179-57.4-77.8000111.3K233 T357 A358 I359 N360 L382 M384 P385 I388 F391K233-F235 HydrophobicContact CB-CE2 3.72Å; K233-F235 HydrophobicContact CB-CZ 4.11Å; F235-T357 HydrophobicContact CD2-CG2 3.71Å; F235-T357 HydrophobicContact CE2-CG2 3.86Å; F235-A358 PolarHBondContact N-O 3.03Å; F235-I359 HydrophobicContact CB-CG1 4.36Å; F235-I359 WeakPolarHBondContact O-CA 3.25Å; F235-N360 PolarHBondContact O-N 3.28Å; F235-N360 PolarHBondContact O-ND2 3.07Å; F235-L382 CarbonylContact C-O 3.54Å; F235-L382 WeakPolarHBondContact CA-O 3.33Å; F235-L382 HydrophobicContact CD1-CB 4.01Å; F235-L382 HydrophobicContact CE1-CB 4.28Å; F235-M384 HydrophobicContact CB-CB 4.15Å; F235-M384 HydrophobicContact CB-CG 4.41Å; F235-P385 HydrophobicContact CE1-CG 4.23Å; F235-I388 HydrophobicContact CD2-CD1 3.61Å; F235-I388 HydrophobicContact CE2-CD1 3.56Å; F235-I388 HydrophobicContact CG-CD1 4.14Å; F235-I388 HydrophobicContact CZ-CD1 4.05Å; F235-F391 HydrophobicContact CE2-CB 4.01Å; F235-F391 HydrophobicContact CE2-CD1 4.28Å; F235-F391 HydrophobicContact CE2-CG 4.03Å; F235-F391 HydrophobicContact CZ-CB 4.24Å; F235-F391 AromaticContact CZ-CD1 3.78Å; F235-F391 HydrophobicContact CZ-CD1 3.78Å; F235-F391 HydrophobicContact CZ-CD2 4.01Å; F235-F391 HydrophobicContact CZ-CE1 4.06Å; F235-F391 HydrophobicContact CZ-CE2 4.28Å; F235-F391 AromaticContact CZ-CG 3.74Å; F235-F391 HydrophobicContact CZ-CG 3.74Å; F235-F391 HydrophobicContact CZ-CZ 4.3Å
236Y96.2Very high83.8Confident49 Ų4951.4 Ų51.419%0.19226%0.257CS..EExtended strand (participates in β ladder)trans-127.6152.5165.974.3-95.6000111.4N238 N360 I362 L370 I381 L382 E383 M384Y236-N238 HydrophobicContact CE2-CB 4.39Å; Y236-N360 CarbonylContact C-O 3.57Å; Y236-N360 WeakPolarHBondContact CA-O 3.49Å; Y236-I362 HydrophobicContact CD2-CD1 3.53Å; Y236-I362 HydrophobicContact CD2-CG1 4.08Å; Y236-I362 HydrophobicContact CE2-CD1 4.04Å; Y236-I362 HydrophobicContact CG-CD1 4.11Å; Y236-L370 HydrophobicContact CD1-CD2 3.57Å; Y236-L370 HydrophobicContact CD2-CD2 4.38Å; Y236-L370 HydrophobicContact CE1-CD2 4.28Å; Y236-L370 HydrophobicContact CG-CD2 3.62Å; Y236-I381 HydrophobicContact CD1-CG2 4.15Å; Y236-L382 VanDerWaalsContact CD1-O 3.29Å; Y236-L382 WeakPolarHBondContact CD1-O 3.41Å; Y236-L382 PolarHBondContact N-O 3.01Å; Y236-E383 HydrophobicContact CE1-CB 3.95Å; Y236-E383 VanDerWaalsContact CE1-N 3.31Å; Y236-E383 HydrophobicContact CE2-CB 4.1Å; Y236-E383 HydrophobicContact CE2-CG 3.88Å; Y236-E383 PolarHBondContact OH-OE2 3.14Å; Y236-M384 WeakPolarHBondContact O-CB 3.32Å; Y236-M384 PolarHBondContact O-N 3.02Å
237I95.6Very high85.6Confident28 Ų2854.3 Ų54.314%0.14427%0.271CS..EExtended strand (participates in β ladder)trans-120.5118.9166.3-54179.1000107V239 T248 I359 N360 F361 I362 M384I237-V239 HydrophobicContact CG2-CG1 4.15Å; I237-V239 PolarHBondContact O-N 3.16Å; I237-T248 HydrophobicContact CB-CG2 4.44Å; I237-T248 HydrophobicContact CD1-CG2 3.76Å; I237-T248 HydrophobicContact CG2-CG2 3.85Å; I237-I359 HydrophobicContact CD1-CG2 3.98Å; I237-I359 HydrophobicContact CG1-CG2 3.96Å; I237-N360 PolarHBondContact N-O 2.99Å; I237-F361 HydrophobicContact CB-CD1 4.14Å; I237-F361 HydrophobicContact CB-CE1 4.39Å; I237-F361 HydrophobicContact CD1-CD1 4.25Å; I237-F361 HydrophobicContact CD1-CE1 3.66Å; I237-F361 HydrophobicContact CG1-CD1 4.43Å; I237-F361 HydrophobicContact CG1-CE1 4.3Å; I237-I362 PolarHBondContact O-N 2.98Å; I237-M384 HydrophobicContact CD1-CE 3.52Å; I237-M384 HydrophobicContact CD1-SD 3.47Å; I237-M384 WeakPolarHBondContact CD1-SD 3.29Å; I237-M384 HydrophobicContact CG1-CB 3.82Å; I237-M384 HydrophobicContact CG1-CE 3.98Å; I237-M384 HydrophobicContact CG1-CG 4.41Å; I237-M384 HydrophobicContact CG1-SD 3.79Å
238N95.2Very high87.3Confident60 Ų6054.7 Ų54.732%0.32127%0.274SS..EExtended strand (participates in β ladder)trans-81.8100.2171.5-173.8-5.3000109.4Y236 S240 I362Y236-N238 HydrophobicContact CE2-CB 4.39Å; N238-S240 PolarHBondContact O-N 3.32Å; N238-S240 WeakPolarHBondContact OD1-CA 3.41Å; N238-S240 PolarHBondContact OD1-N 2.8Å; N238-I362 CarbonylContact C-O 3.6Å; N238-I362 WeakPolarHBondContact CA-O 3.42Å; N238-I362 HydrophobicContact CB-CD1 4.23Å; N238-I362 HydrophobicContact CB-CG1 3.96Å; N238-I362 PolarHBondContact OD1-O 3.06Å
239V94.8Very high89Confident9 Ų953.5 Ų53.56%0.05527%0.267CS..EExtended strand (participates in β ladder)trans-79.9-0.1-179.9-60.80000112.6I237 K241 Y244 K245 T248 F361 I362 T363I237-V239 HydrophobicContact CG2-CG1 4.15Å; I237-V239 PolarHBondContact O-N 3.16Å; V239-K241 WeakPolarHBondContact CG2-O 3.44Å; V239-K241 PolarHBondContact O-N 3.04Å; V239-Y244 VanDerWaalsContact O-CD2 3.31Å; V239-Y244 WeakPolarHBondContact O-CD2 3.44Å; V239-K245 HydrophobicContact CB-CG 4.29Å; V239-K245 HydrophobicContact CG1-CG 4.27Å; V239-K245 HydrophobicContact CG2-CD 4.42Å; V239-K245 HydrophobicContact CG2-CG 3.46Å; V239-K245 VanDerWaalsContact CG2-CG 3.46Å; V239-T248 HydrophobicContact CG1-CG2 3.95Å; V239-T248 WeakPolarHBondContact CG1-OG1 3.26Å; V239-F361 HydrophobicContact CG1-CG 4.47Å; V239-I362 WeakPolarHBondContact CG2-O 2.91Å; V239-I362 PolarHBondContact N-O 3.25Å; V239-T363 HydrophobicContact CG2-CG2 4.18Å
240S92.1Very high90.1Very high52 Ų5254.3 Ų54.336%0.36427%0.271SS..EExtended strand (participates in β ladder)trans63.3-55.5-172.5-47.80000114.3N238 E364N238-S240 PolarHBondContact O-N 3.32Å; N238-S240 WeakPolarHBondContact OD1-CA 3.41Å; N238-S240 PolarHBondContact OD1-N 2.8Å; S240-E364 PolarHBondContact O-N 3.41Å
241K92.6Very high91.2Very high124 Ų12453.1 Ų53.154%0.53926%0.264SS..SBendtrans-125.4149-176.6-63.7-179.9-177.9174.20111.9V239 D243 Y244V239-K241 WeakPolarHBondContact CG2-O 3.44Å; V239-K241 PolarHBondContact O-N 3.04Å; K241-D243 VanDerWaalsContact C-N 3.28Å; K241-D243 PolarHBondContact O-N 3.16Å; K241-Y244 HydrophobicContact CB-CD2 4.14Å; K241-Y244 HydrophobicContact CB-CE2 4.35Å; K241-Y244 HydrophobicContact CB-CG 4.47Å; K241-Y244 HydrophobicContact CD-CE2 4.19Å; K241-Y244 HydrophobicContact CG-CE2 4.48Å; K241-Y244 PolarHBondContact O-N 3.21Å; K241-Y244 VanDerWaalsContact O-N 3.12Å
242E92.3Very high91.9Very high66 Ų6652.2 Ų52.231%0.30825%0.254SS..G310 helixtrans-56.4-40.3179.6-17863.2-165.200113Y244 K245 K270E242-Y244 PolarHBondContact O-N 3.41Å; E242-Y244 VanDerWaalsContact O-N 3.15Å; E242-K245 WeakPolarHBondContact O-CB 3.4Å; E242-K245 PolarHBondContact O-N 3.43Å; E242-K245 VanDerWaalsContact O-N 3.11Å; E242-K245 WeakPolarHBondContact OE2-CD 3.43Å; E242-K245 VanDerWaalsContact OE2-CE 3.22Å; E242-K245 WeakPolarHBondContact OE2-CE 3.47Å; E242-K245 IonicContact OE2-NZ 3.15Å; E242-K245 PolarHBondContact OE2-NZ 3.36Å; E242-K270 WeakPolarHBondContact OE1-CE 3.1Å; E242-K270 IonicContact OE1-NZ 2.66Å; E242-K270 PolarHBondContact OE1-NZ 3.14Å
243D92.4Very high92Very high139 Ų13953.2 Ų53.274%0.74326%0.258SS*.G310 helixtrans-63-22.6-178.2-64.8-16.4000113K241K241-D243 VanDerWaalsContact C-N 3.28Å; K241-D243 PolarHBondContact O-N 3.16Å
244Y95Very high91.6Very high113 Ų11350.7 Ų50.744%0.44327%0.267SS..G310 helixtrans-84.1-15.3180-61.5-18.9000113V239 K241 E242 L246 E247 T248V239-Y244 VanDerWaalsContact O-CD2 3.31Å; V239-Y244 WeakPolarHBondContact O-CD2 3.44Å; K241-Y244 HydrophobicContact CB-CD2 4.14Å; K241-Y244 HydrophobicContact CB-CE2 4.35Å; K241-Y244 HydrophobicContact CB-CG 4.47Å; K241-Y244 HydrophobicContact CD-CE2 4.19Å; K241-Y244 HydrophobicContact CG-CE2 4.48Å; K241-Y244 PolarHBondContact O-N 3.21Å; K241-Y244 VanDerWaalsContact O-N 3.12Å; E242-Y244 PolarHBondContact O-N 3.41Å; E242-Y244 VanDerWaalsContact O-N 3.15Å; Y244-L246 VanDerWaalsContact C-N 3.29Å; Y244-L246 PolarHBondContact O-N 2.97Å; Y244-E247 PolarHBondContact O-N 2.96Å; Y244-E247 VanDerWaalsContact O-N 3.14Å; Y244-T248 PolarHBondContact O-N 2.81Å; Y244-T248 PolarHBondContact O-OG1 3.03Å; Y244-T248 VanDerWaalsContact O-OG1 3.05Å
245K95.2Very high90.9Very high0 Ų053.5 Ų53.50%028%0.281CS..Hα-helixtrans-58-38.4179.9-70.4-170.7173.4165.40113.2V239 E242 L249 Y333 D334 F361 E366V239-K245 HydrophobicContact CB-CG 4.29Å; V239-K245 HydrophobicContact CG1-CG 4.27Å; V239-K245 HydrophobicContact CG2-CD 4.42Å; V239-K245 HydrophobicContact CG2-CG 3.46Å; V239-K245 VanDerWaalsContact CG2-CG 3.46Å; E242-K245 WeakPolarHBondContact O-CB 3.4Å; E242-K245 PolarHBondContact O-N 3.43Å; E242-K245 VanDerWaalsContact O-N 3.11Å; E242-K245 WeakPolarHBondContact OE2-CD 3.43Å; E242-K245 VanDerWaalsContact OE2-CE 3.22Å; E242-K245 WeakPolarHBondContact OE2-CE 3.47Å; E242-K245 IonicContact OE2-NZ 3.15Å; E242-K245 PolarHBondContact OE2-NZ 3.36Å; K245-L249 WeakPolarHBondContact O-CB 3.45Å; K245-L249 PolarHBondContact O-N 2.77Å; K245-Y333 HydrophobicContact CB-CD1 4.47Å; K245-Y333 HydrophobicContact CB-CD2 4.44Å; K245-Y333 HydrophobicContact CB-CE1 3.72Å; K245-Y333 HydrophobicContact CB-CE2 3.72Å; K245-Y333 VanDerWaalsContact CB-OH 3.29Å; K245-Y333 WeakPolarHBondContact CB-OH 3.46Å; K245-Y333 HydrophobicContact CD-CD1 3.93Å; K245-Y333 HydrophobicContact CD-CE1 3.67Å; K245-Y333 VanDerWaalsContact CD-O 3.23Å; K245-Y333 WeakPolarHBondContact CD-O 3.47Å; K245-Y333 VanDerWaalsContact CE-O 3.3Å; K245-Y333 WeakPolarHBondContact CE-O 3.24Å; K245-Y333 HydrophobicContact CG-CE1 4.34Å; K245-Y333 PolarHBondContact NZ-O 3.45Å; K245-D334 IonicContact NZ-OD1 2.83Å; K245-F361 HydrophobicContact CB-CD2 4Å; K245-F361 HydrophobicContact CD-CB 4.06Å; K245-F361 HydrophobicContact CD-CD2 4.48Å; K245-F361 HydrophobicContact CG-CB 4.19Å; K245-F361 HydrophobicContact CG-CD2 4.17Å; K245-F361 WeakPolarHBondContact O-CE2 3.36Å; K245-E366 IonicContact NZ-OE1 3.36Å; K245-E366 IonicContact NZ-OE2 3.73Å
246L93Very high89.7Confident28 Ų2854.1 Ų54.115%0.14728%0.284CS..Hα-helixtrans-69-38.1-179.5-177.963.2000111.5Y244 L249 M250 I274 E277 Y333Y244-L246 VanDerWaalsContact C-N 3.29Å; Y244-L246 PolarHBondContact O-N 2.97Å; L246-L249 PolarHBondContact O-N 2.67Å; L246-M250 WeakPolarHBondContact O-CE 3.46Å; L246-M250 WeakPolarHBondContact O-CG 3.17Å; L246-M250 PolarHBondContact O-N 3.04Å; L246-I274 HydrophobicContact CD1-CG2 4.16Å; L246-E277 HydrophobicContact CD1-CB 4.41Å; L246-E277 HydrophobicContact CD2-CB 3.84Å; L246-E277 HydrophobicContact CD2-CG 3.9Å; L246-Y333 PolarHBondContact N-OH 3.49Å
247E92.4Very high88.2Confident113 Ų11358.2 Ų58.253%0.52831%0.31SS..Hα-helixtrans-64.1-52175.1-168.3168.9-173.100110.8Y244 L249 M250 D251Y244-E247 PolarHBondContact O-N 2.96Å; Y244-E247 VanDerWaalsContact O-N 3.14Å; E247-L249 VanDerWaalsContact C-N 3.27Å; E247-L249 PolarHBondContact O-N 3.38Å; E247-M250 HydrophobicContact CB-CE 4.32Å; E247-M250 HydrophobicContact CG-CE 4.46Å; E247-M250 WeakPolarHBondContact O-CB 3.47Å; E247-M250 PolarHBondContact O-N 3.35Å; E247-D251 PolarHBondContact O-N 3.23Å
248T93Very high86.6Confident27 Ų2763.8 Ų63.817%0.16634%0.339CS..Hα-helixtrans-56.3-39.4175.3-53.70000112.7I237 V239 Y244 M250 D251 L252 F361I237-T248 HydrophobicContact CB-CG2 4.44Å; I237-T248 HydrophobicContact CD1-CG2 3.76Å; I237-T248 HydrophobicContact CG2-CG2 3.85Å; V239-T248 HydrophobicContact CG1-CG2 3.95Å; V239-T248 WeakPolarHBondContact CG1-OG1 3.26Å; Y244-T248 PolarHBondContact O-N 2.81Å; Y244-T248 PolarHBondContact O-OG1 3.03Å; Y244-T248 VanDerWaalsContact O-OG1 3.05Å; T248-M250 VanDerWaalsContact C-N 3.3Å; T248-M250 PolarHBondContact O-N 2.92Å; T248-D251 PolarHBondContact O-N 3.39Å; T248-L252 WeakPolarHBondContact O-CB 3.05Å; T248-L252 PolarHBondContact O-N 2.93Å; T248-F361 HydrophobicContact CG2-CE1 3.96Å; T248-F361 HydrophobicContact CG2-CE2 4.27Å; T248-F361 HydrophobicContact CG2-CZ 3.76Å
249L91.9Very high85.4Confident0 Ų062.2 Ų62.20%033%0.333CS..Hα-helixtrans-59.2-43.8176.2-174.462.2000111.5K245 L246 E247 Y253 I263 I274 L278 V331 Y333 F361K245-L249 WeakPolarHBondContact O-CB 3.45Å; K245-L249 PolarHBondContact O-N 2.77Å; L246-L249 PolarHBondContact O-N 2.67Å; E247-L249 VanDerWaalsContact C-N 3.27Å; E247-L249 PolarHBondContact O-N 3.38Å; L249-Y253 HydrophobicContact CD1-CD2 4.25Å; L249-Y253 HydrophobicContact CD1-CE2 3.81Å; L249-Y253 HydrophobicContact CG-CD2 4.11Å; L249-Y253 HydrophobicContact CG-CE2 3.95Å; L249-Y253 WeakPolarHBondContact O-CD2 3.33Å; L249-Y253 PolarHBondContact O-N 3.22Å; L249-I263 HydrophobicContact CD1-CD1 3.88Å; L249-I263 HydrophobicContact CD1-CG1 4.48Å; L249-I263 HydrophobicContact CD2-CD1 3.8Å; L249-I263 HydrophobicContact CG-CD1 4.35Å; L249-I274 HydrophobicContact CD2-CG2 4.27Å; L249-L278 HydrophobicContact CD2-CD1 4.2Å; L249-L278 HydrophobicContact CD2-CD2 4.39Å; L249-V331 HydrophobicContact CD1-CG1 4.14Å; L249-Y333 HydrophobicContact CB-CE2 4.48Å; L249-Y333 HydrophobicContact CD2-CD2 4.12Å; L249-Y333 HydrophobicContact CD2-CE2 4.16Å; L249-F361 HydrophobicContact CB-CE2 3.88Å; L249-F361 HydrophobicContact CB-CZ 4.32Å; L249-F361 HydrophobicContact CD1-CE2 4.17Å; L249-F361 HydrophobicContact CD1-CZ 4.26Å
250M88.3Confident84.8Confident36 Ų3661.9 Ų61.918%0.17733%0.331CS..Hα-helixtrans-69.9-39.9-179.2-65.4179.5-65.600112L246 E247 T248 L252 Y253 G254 L278 K281 F283L246-M250 WeakPolarHBondContact O-CE 3.46Å; L246-M250 WeakPolarHBondContact O-CG 3.17Å; L246-M250 PolarHBondContact O-N 3.04Å; E247-M250 HydrophobicContact CB-CE 4.32Å; E247-M250 HydrophobicContact CG-CE 4.46Å; E247-M250 WeakPolarHBondContact O-CB 3.47Å; E247-M250 PolarHBondContact O-N 3.35Å; T248-M250 VanDerWaalsContact C-N 3.3Å; T248-M250 PolarHBondContact O-N 2.92Å; M250-L252 VanDerWaalsContact C-N 3.32Å; M250-Y253 WeakPolarHBondContact O-CB 3.22Å; M250-Y253 PolarHBondContact O-N 2.96Å; M250-G254 PolarHBondContact O-N 3.1Å; M250-L278 HydrophobicContact CG-CD2 4.43Å; M250-K281 HydrophobicContact CE-CD 4.41Å; M250-K281 HydrophobicContact SD-CD 3.19Å; M250-K281 WeakPolarHBondContact SD-CD 3.4Å; M250-K281 PolarHBondContact SD-NZ 3.47Å; M250-F283 HydrophobicContact CG-CE2 4.23Å
251D87.8Confident84.6Confident96 Ų9659.5 Ų59.551%0.51331%0.314SS..Hα-helixtrans-62.4-43.2176.3-67.2-21.9000110.7E247 T248 Y253 G254 I255E247-D251 PolarHBondContact O-N 3.23Å; T248-D251 PolarHBondContact O-N 3.39Å; D251-Y253 VanDerWaalsContact C-N 3.32Å; D251-Y253 PolarHBondContact O-N 3.26Å; D251-G254 PolarHBondContact O-N 2.63Å; D251-I255 WeakPolarHBondContact O-CG1 3.42Å; D251-I255 PolarHBondContact O-N 2.85Å
252L87.5Confident84.4Confident4 Ų453.9 Ų53.92%0.02129%0.29CS..Hα-helixtrans-57-46.7173.2-176.664.9000110.8T248 M250 G254 I255 M256 L329 V331 I359 F361 M384T248-L252 WeakPolarHBondContact O-CB 3.05Å; T248-L252 PolarHBondContact O-N 2.93Å; M250-L252 VanDerWaalsContact C-N 3.32Å; L252-G254 VanDerWaalsContact C-N 3.26Å; L252-G254 PolarHBondContact O-N 3.45Å; L252-I255 PolarHBondContact O-N 3.35Å; L252-I255 VanDerWaalsContact O-N 3.11Å; L252-M256 HydrophobicContact CG-CG 4.41Å; L252-M256 HydrophobicContact CG-SD 4.03Å; L252-M256 WeakPolarHBondContact O-CG 3.43Å; L252-M256 PolarHBondContact O-N 3.24Å; L252-M256 VanDerWaalsContact O-N 3.09Å; L252-L329 HydrophobicContact CD2-CD2 4.26Å; L252-V331 HydrophobicContact CD2-CG2 3.95Å; L252-I359 HydrophobicContact CD1-CD1 3.71Å; L252-I359 HydrophobicContact CD2-CD1 3.83Å; L252-I359 HydrophobicContact CD2-CG2 4.47Å; L252-I359 HydrophobicContact CG-CD1 4.4Å; L252-F361 HydrophobicContact CD2-CE1 4.33Å; L252-F361 HydrophobicContact CD2-CZ 4.24Å; L252-M384 HydrophobicContact CD1-SD 4.17Å
253Y83.2Confident84.4Confident30 Ų3050.7 Ų50.712%0.11828%0.275CS..Hα-helixtrans-61.3-31.3174.8-89-69.4000114.2L249 M250 D251 I255 M256 V261 I263 F283 I311L249-Y253 HydrophobicContact CD1-CD2 4.25Å; L249-Y253 HydrophobicContact CD1-CE2 3.81Å; L249-Y253 HydrophobicContact CG-CD2 4.11Å; L249-Y253 HydrophobicContact CG-CE2 3.95Å; L249-Y253 WeakPolarHBondContact O-CD2 3.33Å; L249-Y253 PolarHBondContact O-N 3.22Å; M250-Y253 WeakPolarHBondContact O-CB 3.22Å; M250-Y253 PolarHBondContact O-N 2.96Å; D251-Y253 VanDerWaalsContact C-N 3.32Å; D251-Y253 PolarHBondContact O-N 3.26Å; Y253-I255 PolarHBondContact O-N 3.47Å; Y253-M256 PolarHBondContact O-N 3.26Å; Y253-V261 HydrophobicContact CE1-CB 4.21Å; Y253-V261 HydrophobicContact CE1-CG2 3.84Å; Y253-V261 WeakPolarHBondContact OH-CB 3.41Å; Y253-V261 WeakPolarHBondContact OH-CG1 3.46Å; Y253-I263 HydrophobicContact CE2-CD1 4.01Å; Y253-I263 WeakPolarHBondContact OH-CD1 3.33Å; Y253-F283 HydrophobicContact CG-CE1 4.15Å; Y253-I311 HydrophobicContact CD1-CD1 4.05Å; Y253-I311 HydrophobicContact CD1-CG1 4.47Å; Y253-I311 HydrophobicContact CD2-CD1 4.2Å; Y253-I311 HydrophobicContact CE1-CD1 3.47Å; Y253-I311 VanDerWaalsContact CE1-CD1 3.47Å; Y253-I311 HydrophobicContact CE1-CG1 3.51Å; Y253-I311 HydrophobicContact CE2-CD1 3.66Å; Y253-I311 HydrophobicContact CE2-CG1 4.3Å; Y253-I311 HydrophobicContact CG-CD1 4.4Å; Y253-I311 VanDerWaalsContact CZ-CG1 3.44Å; Y253-I311 VanDerWaalsContact OH-CG1 3.24Å; Y253-I311 WeakPolarHBondContact OH-CG1 3.46Å; Y253-I311 WeakPolarHBondContact OH-CG2 3.47Å
254G78.8Confident84.5Confident71 Ų7144.1 Ų44.173%0.73224%0.24SC*.Hα-helixtrans-65.3-29.717600000113.1M250 D251 L252M250-G254 PolarHBondContact O-N 3.1Å; D251-G254 PolarHBondContact O-N 2.63Å; L252-G254 VanDerWaalsContact C-N 3.26Å; L252-G254 PolarHBondContact O-N 3.45Å
255I77.1Confident84.5Confident73 Ų7338.8 Ų38.837%0.37422%0.219SC..Hα-helixtrans-85.4-28.7179.1-60164.7000111D251 L252 Y253 N257 I388 V389D251-I255 WeakPolarHBondContact O-CG1 3.42Å; D251-I255 PolarHBondContact O-N 2.85Å; L252-I255 PolarHBondContact O-N 3.35Å; L252-I255 VanDerWaalsContact O-N 3.11Å; Y253-I255 PolarHBondContact O-N 3.47Å; I255-N257 PolarHBondContact O-N 3.05Å; I255-I388 HydrophobicContact CG2-CG2 4.01Å; I255-V389 HydrophobicContact CG2-CG2 3.39Å
256M69.9Low84.4Confident18 Ų1841.6 Ų41.69%0.08923%0.234CC..  trans-80.2116-174.9-71.7-173.77500113.7L252 Y253 S259 V261 L329 L392L252-M256 HydrophobicContact CG-CG 4.41Å; L252-M256 HydrophobicContact CG-SD 4.03Å; L252-M256 WeakPolarHBondContact O-CG 3.43Å; L252-M256 PolarHBondContact O-N 3.24Å; L252-M256 VanDerWaalsContact O-N 3.09Å; Y253-M256 PolarHBondContact O-N 3.26Å; M256-S259 WeakPolarHBondContact CE-OG 3.48Å; M256-V261 HydrophobicContact CE-CG2 3.44Å; M256-V261 VanDerWaalsContact CE-CG2 3.44Å; M256-V261 HydrophobicContact SD-CG2 4.06Å; M256-L329 HydrophobicContact CE-CB 3.69Å; M256-L329 HydrophobicContact CE-CD2 3.15Å; M256-L329 HydrophobicContact CE-CG 3.99Å; M256-L329 HydrophobicContact SD-CD2 3.14Å; M256-L329 WeakPolarHBondContact SD-CD2 3.2Å; M256-L329 HydrophobicContact SD-CG 4.48Å; M256-L392 HydrophobicContact CE-CD2 4.14Å; M256-L392 HydrophobicContact CG-CD1 3.69Å
257N63.9Low84.3Confident136 Ų13642.6 Ų42.673%0.72724%0.243SC*.  trans-84.8120.9169.4-81.9-36.4000112.2I255 S259I255-N257 PolarHBondContact O-N 3.05Å; N257-S259 PolarHBondContact O-N 3.34Å
258L61.4Low84.3Confident144 Ų14438.4 Ų38.475%0.75423%0.226SC*.SBendtrans58.7-7.4154.5-61.5171.9000120.4R310L258-R310 PolarHBondContact O-NH1 3Å
259S71.4Confident84.4Confident27 Ų2743.5 Ų43.519%0.18925%0.252CS..  trans-77.1154.7179.162.90000112.8M256 N257 S328M256-S259 WeakPolarHBondContact CE-OG 3.48Å; N257-S259 PolarHBondContact O-N 3.34Å; S259-S328 WeakPolarHBondContact CB-OG 3.48Å; S259-S328 PolarHBondContact OG-OG 2.98Å
260Q81.8Confident84.4Confident3 Ų346 Ų461%0.01426%0.263CS..EExtended strand (participates in β ladder)trans-82.2135.8172.4-62.3-167.8-70.500109.7F304 S309 R310Q260-F304 HydrophobicContact CB-CE2 3.94Å; Q260-F304 HydrophobicContact CB-CZ 3.95Å; Q260-F304 HydrophobicContact CG-CE2 4.44Å; Q260-F304 PolarHBondContact NE2-O 3.03Å; Q260-S309 PolarHBondContact NE2-O 3.33Å; Q260-S309 VanDerWaalsContact NE2-O 3.13Å; Q260-R310 WeakPolarHBondContact CA-O 3.48Å
261V87.2Confident84.6Confident1 Ų144.3 Ų44.31%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-120.4137.1-175.3-175.40000109.8Y253 M256 I263 R310 L312 L329 V331Y253-V261 HydrophobicContact CE1-CB 4.21Å; Y253-V261 HydrophobicContact CE1-CG2 3.84Å; Y253-V261 WeakPolarHBondContact OH-CB 3.41Å; Y253-V261 WeakPolarHBondContact OH-CG1 3.46Å; M256-V261 HydrophobicContact CE-CG2 3.44Å; M256-V261 VanDerWaalsContact CE-CG2 3.44Å; M256-V261 HydrophobicContact SD-CG2 4.06Å; V261-I263 HydrophobicContact CG1-CG1 4.13Å; V261-R310 PolarHBondContact N-O 3.43Å; V261-L312 PolarHBondContact O-N 2.95Å; V261-L329 WeakPolarHBondContact CA-O 3.47Å; V261-L329 HydrophobicContact CG1-CB 4.35Å; V261-L329 HydrophobicContact CG1-CD2 4.01Å; V261-L329 HydrophobicContact CG1-CG 4.19Å; V261-L329 HydrophobicContact CG2-CB 4.22Å; V261-L329 HydrophobicContact CG2-CD2 4.26Å; V261-V331 HydrophobicContact CG1-CG2 3.83Å
262V89.8Confident84.9Confident6 Ų642.4 Ų42.44%0.03625%0.246CC..EExtended strand (participates in β ladder)trans-106.9124.6168.9-179.10000108.8F264 F304 L312 V327 L329 V330 V331V262-F264 HydrophobicContact CB-CE2 4.43Å; V262-F264 HydrophobicContact CG1-CD2 4.14Å; V262-F264 HydrophobicContact CG1-CE1 4.09Å; V262-F264 HydrophobicContact CG1-CE2 3.55Å; V262-F264 HydrophobicContact CG1-CZ 3.52Å; V262-F304 HydrophobicContact CG2-CE1 3.91Å; V262-F304 HydrophobicContact CG2-CZ 3.82Å; V262-L312 CarbonylContact C-O 3.57Å; V262-L312 WeakPolarHBondContact CA-O 3.16Å; V262-L312 HydrophobicContact CG2-CB 4.4Å; V262-V327 HydrophobicContact CB-CG1 4.29Å; V262-V327 HydrophobicContact CG2-CB 4.32Å; V262-V327 HydrophobicContact CG2-CG1 3.75Å; V262-V327 HydrophobicContact CG2-CG2 3.58Å; V262-L329 PolarHBondContact N-O 3.46Å; V262-L329 VanDerWaalsContact N-O 3.13Å; V262-V330 CarbonylContact O-C 3.53Å; V262-V330 WeakPolarHBondContact O-CA 3.32Å; V262-V331 PolarHBondContact O-N 3.44Å
263I92.3Very high85.2Confident0 Ų047.1 Ų47.10%027%0.268CS..EExtended strand (participates in β ladder)trans-109.1124.1178-52.6173.7000108.7L249 Y253 V261 I311 L312 L313 S314 V331L249-I263 HydrophobicContact CD1-CD1 3.88Å; L249-I263 HydrophobicContact CD1-CG1 4.48Å; L249-I263 HydrophobicContact CD2-CD1 3.8Å; L249-I263 HydrophobicContact CG-CD1 4.35Å; Y253-I263 HydrophobicContact CE2-CD1 4.01Å; Y253-I263 WeakPolarHBondContact OH-CD1 3.33Å; V261-I263 HydrophobicContact CG1-CG1 4.13Å; I263-I311 HydrophobicContact CD1-CG2 3.49Å; I263-I311 VanDerWaalsContact CD1-CG2 3.49Å; I263-I311 HydrophobicContact CG1-CG2 4.13Å; I263-L312 PolarHBondContact N-O 3.3Å; I263-L313 HydrophobicContact CB-CB 4.49Å; I263-L313 HydrophobicContact CB-CD1 4.4Å; I263-L313 HydrophobicContact CB-CG 4.31Å; I263-L313 HydrophobicContact CG2-CD1 4.24Å; I263-L313 HydrophobicContact CG2-CG 4.48Å; I263-L313 WeakPolarHBondContact O-CA 3.28Å; I263-S314 PolarHBondContact O-N 3.05Å; I263-V331 CarbonylContact C-O 3.59Å; I263-V331 VanDerWaalsContact CA-O 3.29Å; I263-V331 WeakPolarHBondContact CA-O 3.21Å; I263-V331 HydrophobicContact CG1-CB 4.3Å
264F93.8Very high85.7Confident1 Ų145.8 Ų45.80%0.00426%0.262CS..EExtended strand (participates in β ladder)trans-102.2132.7176.5-70.5-71.1000112.7V262 S314 A319 V330 V331 Y333 D334 R345V262-F264 HydrophobicContact CB-CE2 4.43Å; V262-F264 HydrophobicContact CG1-CD2 4.14Å; V262-F264 HydrophobicContact CG1-CE1 4.09Å; V262-F264 HydrophobicContact CG1-CE2 3.55Å; V262-F264 HydrophobicContact CG1-CZ 3.52Å; F264-S314 VanDerWaalsContact CA-O 3.3Å; F264-S314 WeakPolarHBondContact CA-O 3.45Å; F264-A319 HydrophobicContact CE1-CB 3.93Å; F264-A319 HydrophobicContact CZ-CB 4.21Å; F264-V330 HydrophobicContact CD2-CG1 3.71Å; F264-V330 HydrophobicContact CE2-CG1 3.76Å; F264-V331 PolarHBondContact N-O 2.96Å; F264-Y333 WeakPolarHBondContact O-CB 3.43Å; F264-Y333 PolarHBondContact O-N 3.04Å; F264-D334 PolarHBondContact O-N 3.09Å; F264-R345 HydrophobicContact CB-CG 4.29Å; F264-R345 HydrophobicContact CD1-CG 4.14Å; F264-R345 HydrophobicContact CD2-CB 3.65Å; F264-R345 HydrophobicContact CD2-CG 3.65Å; F264-R345 HydrophobicContact CE1-CG 4.4Å; F264-R345 HydrophobicContact CE2-CB 3.73Å; F264-R345 HydrophobicContact CE2-CG 3.93Å; F264-R345 HydrophobicContact CG-CB 4.28Å; F264-R345 HydrophobicContact CG-CG 3.76Å; F264-R345 HydrophobicContact CZ-CB 4.44Å; F264-R345 HydrophobicContact CZ-CG 4.3Å
265V94.7Very high86.4Confident0 Ų042.6 Ų42.60%023%0.229CC..  trans-129.4154.6174.7-640000110.5K270 I274 L313 S314 T315 Y333V265-K270 HydrophobicContact CG1-CD 4.47Å; V265-I274 HydrophobicContact CG1-CD1 3.82Å; V265-L313 HydrophobicContact CG2-CD2 4.05Å; V265-S314 PolarHBondContact N-O 3.48Å; V265-T315 HydrophobicContact CG2-CG2 4.29Å; V265-T315 WeakPolarHBondContact O-CA 3.45Å; V265-Y333 HydrophobicContact CG1-CD1 4.18Å; V265-Y333 HydrophobicContact CG1-CG 4.14Å
266N92.6Very high87.1Confident60 Ų6043 Ų4332%0.32123%0.232SC..SBendtrans-84.6-18.8-174-70.1-8.3000113.8D334 L335 R345N266-D334 HydrophobicContact CB-CB 4.19Å; N266-D334 VanDerWaalsContact CG-CB 3.5Å; N266-D334 PolarHBondContact N-OD2 3.45Å; N266-D334 WeakPolarHBondContact ND2-CB 3.11Å; N266-L335 PolarHBondContact ND2-O 3.28Å; N266-L335 PolarHBondContact OD1-O 3.44Å; N266-R345 PolarHBondContact OD1-NH2 2.81Å
267S92.5Very high88.3Confident49 Ų4944.9 Ų44.934%0.34324%0.241SC..  trans-132.5149.8-175.878.30000114.2N269 K270 S271S267-N269 VanDerWaalsContact C-N 3.34Å; S267-K270 PolarHBondContact O-N 3.01Å; S267-K270 WeakPolarHBondContact OG-CB 3.12Å; S267-K270 PolarHBondContact OG-N 3.37Å; S267-K270 VanDerWaalsContact OG-N 3.16Å; S267-S271 WeakPolarHBondContact O-CB 3.47Å; S267-S271 PolarHBondContact O-N 3.36Å
268V92Very high89.6Confident25 Ų2538.4 Ų38.415%0.15221%0.206CC..Hα-helixtrans-61.4-43.1175.6-179.20000111.1K270 S271 T272 H289 D291 T315V268-K270 PolarHBondContact O-N 3.12Å; V268-S271 WeakPolarHBondContact O-CA 3.18Å; V268-S271 WeakPolarHBondContact O-CB 3.37Å; V268-S271 PolarHBondContact O-N 3.28Å; V268-S271 VanDerWaalsContact O-N 3.16Å; V268-T272 PolarHBondContact O-N 3.19Å; V268-T272 PolarHBondContact O-OG1 2.59Å; V268-T272 VanDerWaalsContact O-OG1 3.13Å; V268-H289 HydrophobicContact CG1-CB 4.19Å; V268-H289 WeakPolarHBondContact CG1-ND1 3.27Å; V268-H289 HydrophobicContact CG2-CB 4.11Å; V268-D291 HydrophobicContact CG1-CB 4.41Å; V268-T315 HydrophobicContact CG2-CG2 4.41Å
269N93.7Very high91Very high134 Ų13436.7 Ų36.772%0.71719%0.192SC*.Hα-helixtrans-61.1-45.3179.8-68.3-13.5000111.7S267 S271 T272 H273S267-N269 VanDerWaalsContact C-N 3.34Å; N269-S271 VanDerWaalsContact C-N 3.32Å; N269-T272 PolarHBondContact O-N 2.82Å; N269-H273 WeakPolarHBondContact O-CB 3.47Å; N269-H273 PolarHBondContact O-N 3.23Å
270K93.6Very high92Very high53 Ų5341.3 Ų41.323%0.2322%0.215CC..Hα-helixtrans-65.2-39.9176.4-170.3179.4-67.8-170.70111E242 V265 S267 V268 T272 H273 I274 Y333 D334E242-K270 WeakPolarHBondContact OE1-CE 3.1Å; E242-K270 IonicContact OE1-NZ 2.66Å; E242-K270 PolarHBondContact OE1-NZ 3.14Å; V265-K270 HydrophobicContact CG1-CD 4.47Å; S267-K270 PolarHBondContact O-N 3.01Å; S267-K270 WeakPolarHBondContact OG-CB 3.12Å; S267-K270 PolarHBondContact OG-N 3.37Å; S267-K270 VanDerWaalsContact OG-N 3.16Å; V268-K270 PolarHBondContact O-N 3.12Å; K270-T272 PolarHBondContact O-N 2.79Å; K270-H273 PolarHBondContact O-N 2.83Å; K270-I274 HydrophobicContact CD-CD1 4.14Å; K270-I274 HydrophobicContact CG-CD1 3.65Å; K270-I274 HydrophobicContact CG-CG1 4.27Å; K270-I274 WeakPolarHBondContact O-CG1 3.29Å; K270-I274 PolarHBondContact O-N 2.66Å; K270-Y333 HydrophobicContact CD-CD1 4.22Å; K270-Y333 HydrophobicContact CD-CE1 4.11Å; K270-D334 WeakPolarHBondContact CD-OD2 3.44Å; K270-D334 IonicContact NZ-OD1 2.78Å; K270-D334 PolarHBondContact NZ-OD1 3.4Å; K270-D334 IonicContact NZ-OD2 2.72Å; K270-D334 PolarHBondContact NZ-OD2 3.11Å
271S92.4Very high92.4Very high0 Ų045.8 Ų45.80%023%0.234CC..Hα-helixtrans-55.6-49.9174.5-171.60000112.3S267 V268 N269 C275 C287 L313S267-S271 WeakPolarHBondContact O-CB 3.47Å; S267-S271 PolarHBondContact O-N 3.36Å; V268-S271 WeakPolarHBondContact O-CA 3.18Å; V268-S271 WeakPolarHBondContact O-CB 3.37Å; V268-S271 PolarHBondContact O-N 3.28Å; V268-S271 VanDerWaalsContact O-N 3.16Å; N269-S271 VanDerWaalsContact C-N 3.32Å; S271-C275 WeakPolarHBondContact O-CB 3.41Å; S271-C275 PolarHBondContact O-N 3.37Å; S271-C275 VanDerWaalsContact O-N 3.11Å; S271-C287 PolarHBondContact OG-SG 3.42Å; S271-L313 VanDerWaalsContact CA-CD2 3.43Å; S271-L313 WeakPolarHBondContact O-CD2 3.3Å; S271-L313 WeakPolarHBondContact OG-CD2 3.35Å
272T92.5Very high92.4Very high55 Ų5554.5 Ų54.534%0.33727%0.272SS..Hα-helixtrans-66.3-41.8178.3-53.60000111.8V268 N269 K270 C275 N276V268-T272 PolarHBondContact O-N 3.19Å; V268-T272 PolarHBondContact O-OG1 2.59Å; V268-T272 VanDerWaalsContact O-OG1 3.13Å; N269-T272 PolarHBondContact O-N 2.82Å; K270-T272 PolarHBondContact O-N 2.79Å; T272-C275 PolarHBondContact O-N 3.29Å; T272-N276 VanDerWaalsContact O-CG 3.25Å; T272-N276 PolarHBondContact O-N 2.82Å; T272-N276 PolarHBondContact O-ND2 3.45Å
273H93.9Very high92.2Very high104 Ų10457.1 Ų57.148%0.48128%0.283SS..Hα-helixtrans-60.8-54.3179.1177.658.2000112N269 K270 C275 N276 E277N269-H273 WeakPolarHBondContact O-CB 3.47Å; N269-H273 PolarHBondContact O-N 3.23Å; K270-H273 PolarHBondContact O-N 2.83Å; H273-C275 VanDerWaalsContact C-N 3.32Å; H273-C275 PolarHBondContact O-N 2.82Å; H273-N276 PolarHBondContact O-N 2.97Å; H273-N276 VanDerWaalsContact O-N 3.13Å; H273-E277 IonicContact CE1-OE1 3.92Å; H273-E277 PolarHBondContact O-N 2.85Å
274I93.8Very high91.9Very high1 Ų163.2 Ų63.21%0.00531%0.311CS..Hα-helixtrans-62.3-40.7-179.6-64.5167.5000110.9L246 L249 V265 K270 N276 E277 L278 L313 Y333L246-I274 HydrophobicContact CD1-CG2 4.16Å; L249-I274 HydrophobicContact CD2-CG2 4.27Å; V265-I274 HydrophobicContact CG1-CD1 3.82Å; K270-I274 HydrophobicContact CD-CD1 4.14Å; K270-I274 HydrophobicContact CG-CD1 3.65Å; K270-I274 HydrophobicContact CG-CG1 4.27Å; K270-I274 WeakPolarHBondContact O-CG1 3.29Å; K270-I274 PolarHBondContact O-N 2.66Å; I274-N276 VanDerWaalsContact C-N 3.3Å; I274-N276 PolarHBondContact O-N 2.78Å; I274-E277 PolarHBondContact O-N 3.28Å; I274-L278 HydrophobicContact CG2-CD1 3.85Å; I274-L278 HydrophobicContact CG2-CG 4.19Å; I274-L278 WeakPolarHBondContact O-CB 3.26Å; I274-L278 WeakPolarHBondContact O-CG 3.38Å; I274-L278 PolarHBondContact O-N 3.4Å; I274-L313 HydrophobicContact CB-CD1 3.77Å; I274-L313 HydrophobicContact CG2-CD1 3.39Å; I274-Y333 HydrophobicContact CD1-CD1 3.78Å; I274-Y333 HydrophobicContact CD1-CD2 4.03Å; I274-Y333 HydrophobicContact CD1-CE1 3.53Å; I274-Y333 HydrophobicContact CD1-CE2 3.75Å; I274-Y333 HydrophobicContact CD1-CG 4.03Å; I274-Y333 VanDerWaalsContact CD1-CZ 3.48Å
275C93.3Very high91.7Very high5 Ų563.5 Ų63.53%0.03431%0.313CS..Hα-helixtrans-58.4-42.6176-179.80000112S271 T272 H273 K279 C287S271-C275 WeakPolarHBondContact O-CB 3.41Å; S271-C275 PolarHBondContact O-N 3.37Å; S271-C275 VanDerWaalsContact O-N 3.11Å; T272-C275 PolarHBondContact O-N 3.29Å; H273-C275 VanDerWaalsContact C-N 3.32Å; H273-C275 PolarHBondContact O-N 2.82Å; C275-K279 WeakPolarHBondContact O-CB 3.09Å; C275-K279 VanDerWaalsContact O-CG 3.29Å; C275-K279 WeakPolarHBondContact O-CG 3.48Å; C275-K279 PolarHBondContact O-N 3.06Å; C275-K279 VanDerWaalsContact SG-CE 3.57Å; C275-C287 HydrophobicContact CB-CB 3.83Å; C275-C287 WeakPolarHBondContact SG-CB 3.34Å
276N93.5Very high91.6Very high82 Ų8263.9 Ų63.944%0.43932%0.316SS..Hα-helixtrans-66.7-44.9178-71.2-21.1000111.8T272 H273 I274 L278 K279 L280T272-N276 VanDerWaalsContact O-CG 3.25Å; T272-N276 PolarHBondContact O-N 2.82Å; T272-N276 PolarHBondContact O-ND2 3.45Å; H273-N276 PolarHBondContact O-N 2.97Å; H273-N276 VanDerWaalsContact O-N 3.13Å; I274-N276 VanDerWaalsContact C-N 3.3Å; I274-N276 PolarHBondContact O-N 2.78Å; N276-L278 PolarHBondContact O-N 3.4Å; N276-K279 PolarHBondContact O-N 2.88Å; N276-L280 WeakPolarHBondContact O-CG 3.28Å; N276-L280 PolarHBondContact O-N 2.73Å
277E93.6Very high91.6Very high56 Ų5661.8 Ų61.826%0.26231%0.305SS..Hα-helixtrans-59.7-45.5177-70.6-57.6132.600112.2L246 H273 I274 K279 L280 K281L246-E277 HydrophobicContact CD1-CB 4.41Å; L246-E277 HydrophobicContact CD2-CB 3.84Å; L246-E277 HydrophobicContact CD2-CG 3.9Å; H273-E277 IonicContact CE1-OE1 3.92Å; H273-E277 PolarHBondContact O-N 2.85Å; I274-E277 PolarHBondContact O-N 3.28Å; E277-K279 PolarHBondContact O-N 2.67Å; E277-L280 PolarHBondContact O-N 2.93Å; E277-K281 WeakPolarHBondContact O-CG 3.31Å; E277-K281 PolarHBondContact O-N 2.98Å; E277-K281 VanDerWaalsContact O-N 3.16Å
278L91.6Very high91.4Very high0 Ų059.4 Ų59.40%029%0.289CS..Hα-helixtrans-63-40.7176.3-72.4176.5000111.8L249 M250 I274 N276 K281 K282 F283 V285L249-L278 HydrophobicContact CD2-CD1 4.2Å; L249-L278 HydrophobicContact CD2-CD2 4.39Å; M250-L278 HydrophobicContact CG-CD2 4.43Å; I274-L278 HydrophobicContact CG2-CD1 3.85Å; I274-L278 HydrophobicContact CG2-CG 4.19Å; I274-L278 WeakPolarHBondContact O-CB 3.26Å; I274-L278 WeakPolarHBondContact O-CG 3.38Å; I274-L278 PolarHBondContact O-N 3.4Å; N276-L278 PolarHBondContact O-N 3.4Å; L278-K281 CarbonylContact O-C 3.44Å; L278-K281 PolarHBondContact O-N 3.08Å; L278-K282 PolarHBondContact O-N 2.82Å; L278-F283 HydrophobicContact CB-CB 4.16Å; L278-F283 HydrophobicContact CB-CD2 4.48Å; L278-F283 HydrophobicContact CD2-CD2 3.87Å; L278-F283 HydrophobicContact CD2-CE2 4.28Å; L278-F283 HydrophobicContact CD2-CG 4.26Å; L278-F283 WeakPolarHBondContact O-CB 3.44Å; L278-F283 PolarHBondContact O-N 3.17Å; L278-V285 HydrophobicContact CB-CB 4.4Å; L278-V285 HydrophobicContact CB-CG1 3.75Å; L278-V285 HydrophobicContact CD1-CB 4.41Å; L278-V285 HydrophobicContact CD1-CG2 4.17Å
279K91.4Very high91.3Very high108 Ų10859.3 Ų59.347%0.4729%0.287SS..Hα-helixtrans-65.3-40175.4-76.9176.9179.6177.60112.9C275 N276 E277 K281 K282 V285C275-K279 WeakPolarHBondContact O-CB 3.09Å; C275-K279 VanDerWaalsContact O-CG 3.29Å; C275-K279 WeakPolarHBondContact O-CG 3.48Å; C275-K279 PolarHBondContact O-N 3.06Å; C275-K279 VanDerWaalsContact SG-CE 3.57Å; N276-K279 PolarHBondContact O-N 2.88Å; E277-K279 PolarHBondContact O-N 2.67Å; K279-K281 PolarHBondContact O-N 3.24Å; K279-K282 PolarHBondContact O-N 3.49Å; K279-V285 HydrophobicContact CD-CG1 4.47Å; K279-V285 WeakPolarHBondContact CE-O 3.37Å; K279-V285 HydrophobicContact CG-CG1 3.63Å
280L92.9Very high90.8Very high125 Ų12556 Ų5665%0.65427%0.274SS*.Hα-helixtrans-58.3-37.4175.1-74.1172.1000110.9N276 E277 K282N276-L280 WeakPolarHBondContact O-CG 3.28Å; N276-L280 PolarHBondContact O-N 2.73Å; E277-L280 PolarHBondContact O-N 2.93Å; L280-K282 PolarHBondContact O-N 3.31Å
281K88.5Confident90.5Very high97 Ų9759 Ų5942%0.42229%0.293SS..THydrogen-bonded Turntrans-84.713.9176-61.8-177.9-174.9-172.70114.3M250 E277 L278 K279 F283M250-K281 HydrophobicContact CE-CD 4.41Å; M250-K281 HydrophobicContact SD-CD 3.19Å; M250-K281 WeakPolarHBondContact SD-CD 3.4Å; M250-K281 PolarHBondContact SD-NZ 3.47Å; E277-K281 WeakPolarHBondContact O-CG 3.31Å; E277-K281 PolarHBondContact O-N 2.98Å; E277-K281 VanDerWaalsContact O-N 3.16Å; L278-K281 CarbonylContact O-C 3.44Å; L278-K281 PolarHBondContact O-N 3.08Å; K279-K281 PolarHBondContact O-N 3.24Å; K281-F283 VanDerWaalsContact C-N 3.29Å; K281-F283 HydrophobicContact CB-CD2 3.92Å; K281-F283 HydrophobicContact CB-CE2 4.03Å; K281-F283 PolarHBondContact O-N 3.28Å
282K87.1Confident90.3Very high184 Ų18460.6 Ų60.680%0.830%0.301SS*.THydrogen-bonded Turntrans67.417.7174.9-51.4-61.2-176.2-177.20115.7L278 K279 L280L278-K282 PolarHBondContact O-N 2.82Å; K279-K282 PolarHBondContact O-N 3.49Å; L280-K282 PolarHBondContact O-N 3.31Å
283F86.5Confident90Very high61 Ų6162.6 Ų62.627%0.26831%0.309SS..  trans-70.9141169.8-71.2-84.8000111.4M250 Y253 L278 K281 V285 I311M250-F283 HydrophobicContact CG-CE2 4.23Å; Y253-F283 HydrophobicContact CG-CE1 4.15Å; L278-F283 HydrophobicContact CB-CB 4.16Å; L278-F283 HydrophobicContact CB-CD2 4.48Å; L278-F283 HydrophobicContact CD2-CD2 3.87Å; L278-F283 HydrophobicContact CD2-CE2 4.28Å; L278-F283 HydrophobicContact CD2-CG 4.26Å; L278-F283 WeakPolarHBondContact O-CB 3.44Å; L278-F283 PolarHBondContact O-N 3.17Å; K281-F283 VanDerWaalsContact C-N 3.29Å; K281-F283 HydrophobicContact CB-CD2 3.92Å; K281-F283 HydrophobicContact CB-CE2 4.03Å; K281-F283 PolarHBondContact O-N 3.28Å; F283-V285 PolarHBondContact O-N 3.35Å; F283-V285 VanDerWaalsContact O-N 3.12Å; F283-I311 HydrophobicContact CB-CD1 4.11Å; F283-I311 HydrophobicContact CD1-CD1 3.99Å; F283-I311 HydrophobicContact CG-CD1 4.35Å
284Q86.4Confident89.3Confident127 Ų12758.2 Ų58.259%0.59329%0.289SS*.  trans-82.384.4171.6-67-179.90.700109.6R308 S309 R310 I311Q284-R308 PolarHBondContact OE1-O 2.99Å; Q284-S309 PolarHBondContact O-OG 3.27Å; Q284-R310 PolarHBondContact O-N 3.29Å; Q284-I311 PolarHBondContact O-N 2.82Å
285V90Very high89Confident8 Ų866.1 Ų66.15%0.04833%0.326CS..EExtended strand (participates in β ladder)trans-113.3133.8-179.9600000111.8L278 K279 F283 I311 L313L278-V285 HydrophobicContact CB-CB 4.4Å; L278-V285 HydrophobicContact CB-CG1 3.75Å; L278-V285 HydrophobicContact CD1-CB 4.41Å; L278-V285 HydrophobicContact CD1-CG2 4.17Å; K279-V285 HydrophobicContact CD-CG1 4.47Å; K279-V285 WeakPolarHBondContact CE-O 3.37Å; K279-V285 HydrophobicContact CG-CG1 3.63Å; F283-V285 PolarHBondContact O-N 3.35Å; F283-V285 VanDerWaalsContact O-N 3.12Å; V285-I311 HydrophobicContact CB-CB 3.97Å; V285-I311 HydrophobicContact CB-CG2 4.18Å; V285-I311 HydrophobicContact CG2-CB 3.97Å; V285-I311 HydrophobicContact CG2-CG2 3.69Å; V285-L313 HydrophobicContact CG2-CB 4.16Å
286S91.3Very high88.9Confident8 Ų871.5 Ų71.56%0.05635%0.349CS..EExtended strand (participates in β ladder)trans-108.7147.7166.5-55.80000109.3E303 S309 I311 L313S286-E303 PolarHBondContact OG-OE2 3.4Å; S286-S309 WeakPolarHBondContact CB-OG 3.2Å; S286-S309 PolarHBondContact N-OG 2.8Å; S286-S309 VanDerWaalsContact N-OG 3.09Å; S286-S309 WeakPolarHBondContact OG-CB 3.49Å; S286-S309 PolarHBondContact OG-OG 3.35Å; S286-I311 PolarHBondContact N-O 2.72Å; S286-L313 PolarHBondContact O-N 3.2Å
287C92.4Very high88.5Confident15 Ų1568.2 Ų68.210%0.10133%0.33CS..EExtended strand (participates in β ladder)trans-128.2137.7-175.4177.30000109.3S271 C275 L313S271-C287 PolarHBondContact OG-SG 3.42Å; C275-C287 HydrophobicContact CB-CB 3.83Å; C275-C287 WeakPolarHBondContact SG-CB 3.34Å; C287-L313 CarbonylContact C-O 3.57Å; C287-L313 VanDerWaalsContact CA-O 3.29Å; C287-L313 WeakPolarHBondContact CA-O 3.35Å
288I89.9Confident88.1Confident0 Ų067.8 Ų67.80%033%0.33CS..EExtended strand (participates in β ladder)trans-143.3121.1-178.1179.4160.1000112M292 R297 V300 M301 L312 L313 S314 L318I288-M292 HydrophobicContact CB-SD 4.5Å; I288-R297 HydrophobicContact CD1-CB 3.79Å; I288-R297 HydrophobicContact CD1-CG 4.09Å; I288-R297 HydrophobicContact CG1-CB 4.41Å; I288-R297 HydrophobicContact CG1-CG 4.15Å; I288-V300 HydrophobicContact CB-CG1 3.95Å; I288-V300 HydrophobicContact CG2-CG1 4.32Å; I288-M301 HydrophobicContact CD1-CG 3.81Å; I288-M301 HydrophobicContact CD1-SD 3.97Å; I288-L312 HydrophobicContact CG2-CD1 3.59Å; I288-L312 HydrophobicContact CG2-CD2 4.4Å; I288-L312 HydrophobicContact CG2-CG 4.08Å; I288-L313 PolarHBondContact N-O 3.49Å; I288-S314 WeakPolarHBondContact O-CA 3.34Å; I288-S314 PolarHBondContact O-OG 3.4Å; I288-L318 HydrophobicContact CB-CD1 4.32Å; I288-L318 HydrophobicContact CD1-CD1 4.08Å; I288-L318 HydrophobicContact CD1-CD2 3.83Å; I288-L318 HydrophobicContact CD1-CG 4.38Å; I288-L318 HydrophobicContact CG1-CD1 4.27Å; I288-L318 HydrophobicContact CG1-CD2 4.1Å; I288-L318 HydrophobicContact CG1-CG 4.36Å; I288-L318 HydrophobicContact CG2-CD1 3.18Å; I288-L318 HydrophobicContact CG2-CD2 4.46Å; I288-L318 HydrophobicContact CG2-CG 3.83Å
289H89.2Confident88Confident23 Ų2370.1 Ų70.111%0.10635%0.349CS..  trans-146.4179.8-177.854.874.8000111.5V268 D291 M292 T315V268-H289 HydrophobicContact CG1-CB 4.19Å; V268-H289 WeakPolarHBondContact CG1-ND1 3.27Å; V268-H289 HydrophobicContact CG2-CB 4.11Å; H289-D291 VanDerWaalsContact C-N 3.32Å; H289-D291 PolarHBondContact ND1-N 3.47Å; H289-D291 PolarHBondContact O-N 2.86Å; H289-M292 VanDerWaalsContact CE1-CG 3.48Å; H289-M292 WeakPolarHBondContact CE1-CG 3.44Å; H289-M292 PolarHBondContact O-N 2.83Å; H289-T315 HydrophobicContact CB-CG2 4.13Å
290S83.4Confident88Confident65 Ų6565.8 Ų65.846%0.45533%0.332SS..THydrogen-bonded Turntrans-65.1-35.8-17138.40000113M292S290-M292 PolarHBondContact O-N 2.79Å
291D86.8Confident87.6Confident116 Ų11660 Ų6062%0.6230%0.301SS*.THydrogen-bonded Turntrans-79.4-1.2-170-57.36.6000112.5V268 H289V268-D291 HydrophobicContact CG1-CB 4.41Å; H289-D291 VanDerWaalsContact C-N 3.32Å; H289-D291 PolarHBondContact ND1-N 3.47Å; H289-D291 PolarHBondContact O-N 2.86Å
292M87.6Confident87.5Confident33 Ų3360.1 Ų60.116%0.16330%0.303CS..SBendtrans-83.6138.4176.7-67.1178.665.800111.7I288 H289 S290 K296 R297 V300I288-M292 HydrophobicContact CB-SD 4.5Å; H289-M292 VanDerWaalsContact CE1-CG 3.48Å; H289-M292 WeakPolarHBondContact CE1-CG 3.44Å; H289-M292 PolarHBondContact O-N 2.83Å; S290-M292 PolarHBondContact O-N 2.79Å; M292-K296 HydrophobicContact CE-CB 3.81Å; M292-R297 HydrophobicContact CB-CG 3.53Å; M292-R297 WeakPolarHBondContact O-CD 3.49Å; M292-V300 HydrophobicContact CE-CG2 3.93Å
293D87Confident87.5Confident96 Ų9654.9 Ų54.951%0.51328%0.281SS..  trans-57.4147.6168.8-55.3-50000111.2E295 K296 R297D293-E295 VanDerWaalsContact C-N 3.32Å; D293-E295 PolarHBondContact O-N 3.2Å; D293-K296 HydrophobicContact CB-CD 4.29Å; D293-K296 HydrophobicContact CB-CG 4.42Å; D293-K296 WeakPolarHBondContact O-CB 3.14Å; D293-K296 PolarHBondContact O-N 2.88Å; D293-K296 VanDerWaalsContact O-N 3.08Å; D293-K296 IonicContact OD2-NZ 2.65Å; D293-K296 PolarHBondContact OD2-NZ 2.74Å; D293-R297 WeakPolarHBondContact O-CG 3.33Å; D293-R297 PolarHBondContact O-N 2.76Å
294Q79.6Confident87.5Confident12 Ų1252 Ų526%0.05627%0.269CS..Hα-helixtrans-60-41.6-173.6-16958.344.100112.9E98 K296 R297 D298E98-Q294 PolarHBondContact OE1-NE2 3.43Å; Q294-K296 PolarHBondContact O-N 2.64Å; Q294-R297 WeakPolarHBondContact O-CB 3.35Å; Q294-R297 PolarHBondContact O-N 2.76Å; Q294-R297 VanDerWaalsContact O-N 3.13Å; Q294-D298 PolarHBondContact NE2-OD1 2.95Å; Q294-D298 PolarHBondContact O-N 3.31Å
295E87.6Confident87.3Confident168 Ų16850.5 Ų50.579%0.78526%0.258SS*.Hα-helixtrans-59.2-38.4178.9-64.4178.5178.200111.6D293 D298 A299D293-E295 VanDerWaalsContact C-N 3.32Å; D293-E295 PolarHBondContact O-N 3.2Å; E295-D298 PolarHBondContact O-N 3.43Å; E295-A299 WeakPolarHBondContact O-CB 3.24Å; E295-A299 PolarHBondContact O-N 2.94Å
296K89.8Confident87Confident117 Ų11752.7 Ų52.751%0.50927%0.273SS..Hα-helixtrans-69.8-40.6176.1-64.6174.8-178.2150.50111.6M292 D293 Q294 D298 A299 V300M292-K296 HydrophobicContact CE-CB 3.81Å; D293-K296 HydrophobicContact CB-CD 4.29Å; D293-K296 HydrophobicContact CB-CG 4.42Å; D293-K296 WeakPolarHBondContact O-CB 3.14Å; D293-K296 PolarHBondContact O-N 2.88Å; D293-K296 VanDerWaalsContact O-N 3.08Å; D293-K296 IonicContact OD2-NZ 2.65Å; D293-K296 PolarHBondContact OD2-NZ 2.74Å; Q294-K296 PolarHBondContact O-N 2.64Å; K296-D298 VanDerWaalsContact C-N 3.3Å; K296-D298 PolarHBondContact O-N 3.13Å; K296-A299 PolarHBondContact O-N 2.94Å; K296-V300 WeakPolarHBondContact O-CG2 3.44Å; K296-V300 PolarHBondContact O-N 3.13Å
297R86.4Confident86.6Confident14 Ų1453 Ų535%0.05328%0.278CS..Hα-helixtrans-61.5-41.6176.2-66.5-179.668.1-152.9-7.2111.1E98 I288 M292 D293 Q294 V300 M301E98-R297 VanDerWaalsContact CD-CZ 3.46Å; E98-R297 IonicContact OE1-CZ 3.4Å; E98-R297 IonicContact OE1-NE 2.81Å; E98-R297 PolarHBondContact OE1-NE 3.43Å; E98-R297 IonicContact OE1-NH1 2.79Å; E98-R297 PolarHBondContact OE1-NH1 2.94Å; E98-R297 IonicContact OE1-NH2 3.75Å; E98-R297 PolarHBondContact OE1-NH2 3.15Å; E98-R297 IonicContact OE2-CZ 2.77Å; E98-R297 IonicContact OE2-NH1 3.12Å; E98-R297 IonicContact OE2-NH2 3.93Å; E98-R297 PolarHBondContact OE2-NH2 3.34Å; I288-R297 HydrophobicContact CD1-CB 3.79Å; I288-R297 HydrophobicContact CD1-CG 4.09Å; I288-R297 HydrophobicContact CG1-CB 4.41Å; I288-R297 HydrophobicContact CG1-CG 4.15Å; M292-R297 HydrophobicContact CB-CG 3.53Å; M292-R297 WeakPolarHBondContact O-CD 3.49Å; D293-R297 WeakPolarHBondContact O-CG 3.33Å; D293-R297 PolarHBondContact O-N 2.76Å; Q294-R297 WeakPolarHBondContact O-CB 3.35Å; Q294-R297 PolarHBondContact O-N 2.76Å; Q294-R297 VanDerWaalsContact O-N 3.13Å; R297-V300 PolarHBondContact O-N 2.69Å; R297-M301 WeakPolarHBondContact O-CB 3.41Å; R297-M301 WeakPolarHBondContact O-CG 3.36Å; R297-M301 PolarHBondContact O-N 3Å
298D84.6Confident86.2Confident47 Ų4759.2 Ų59.225%0.25130%0.299SS..Hα-helixtrans-64.9-44.5177.5-62.1-19.2000111.5R101 Q294 E295 K296 M301 E302R101-D298 IonicContact CZ-OD1 3.58Å; R101-D298 IonicContact CZ-OD2 3.76Å; R101-D298 IonicContact NH1-OD1 2.73Å; R101-D298 PolarHBondContact NH1-OD1 2.76Å; R101-D298 IonicContact NH1-OD2 2.69Å; R101-D298 PolarHBondContact NH1-OD2 3.42Å; R101-D298 IonicContact NH2-OD2 3.01Å; R101-D298 PolarHBondContact NH2-OD2 3.3Å; Q294-D298 PolarHBondContact NE2-OD1 2.95Å; Q294-D298 PolarHBondContact O-N 3.31Å; E295-D298 PolarHBondContact O-N 3.43Å; K296-D298 VanDerWaalsContact C-N 3.3Å; K296-D298 PolarHBondContact O-N 3.13Å; D298-M301 PolarHBondContact O-N 2.89Å; D298-E302 WeakPolarHBondContact O-CB 3.47Å; D298-E302 PolarHBondContact O-N 3.3Å
299A90.1Very high86Confident49 Ų4959.3 Ų59.341%0.40530%0.3SS..Hα-helixtrans-60.7-45.6176.100000112.2E295 K296 M301 E302 E303E295-A299 WeakPolarHBondContact O-CB 3.24Å; E295-A299 PolarHBondContact O-N 2.94Å; K296-A299 PolarHBondContact O-N 2.94Å; A299-M301 VanDerWaalsContact C-N 3.34Å; A299-M301 PolarHBondContact O-N 3.25Å; A299-E302 PolarHBondContact O-N 3.47Å; A299-E303 WeakPolarHBondContact O-CG 3.42Å; A299-E303 PolarHBondContact O-N 2.83Å
300V89.9Confident85.8Confident17 Ų1763.2 Ų63.210%0.10331%0.314CS..Hα-helixtrans-60.8-43.6176.1163.20000111.5I288 M292 K296 R297 E302 E303 F304 L312I288-V300 HydrophobicContact CB-CG1 3.95Å; I288-V300 HydrophobicContact CG2-CG1 4.32Å; M292-V300 HydrophobicContact CE-CG2 3.93Å; K296-V300 WeakPolarHBondContact O-CG2 3.44Å; K296-V300 PolarHBondContact O-N 3.13Å; R297-V300 PolarHBondContact O-N 2.69Å; V300-E302 VanDerWaalsContact C-N 3.3Å; V300-E302 PolarHBondContact O-N 3.43Å; V300-E303 PolarHBondContact O-N 3.46Å; V300-F304 PolarHBondContact O-N 2.91Å; V300-L312 HydrophobicContact CG1-CD1 3.8Å
301M85.4Confident86.1Confident2 Ų260.3 Ų60.31%0.0129%0.293CS..Hα-helixtrans-64.7-36.2177.7-74.7-53.7-4800112.3I288 R297 D298 A299 R305 L312 L318 I322 V324I288-M301 HydrophobicContact CD1-CG 3.81Å; I288-M301 HydrophobicContact CD1-SD 3.97Å; R297-M301 WeakPolarHBondContact O-CB 3.41Å; R297-M301 WeakPolarHBondContact O-CG 3.36Å; R297-M301 PolarHBondContact O-N 3Å; D298-M301 PolarHBondContact O-N 2.89Å; A299-M301 VanDerWaalsContact C-N 3.34Å; A299-M301 PolarHBondContact O-N 3.25Å; M301-R305 WeakPolarHBondContact O-CB 3.47Å; M301-R305 VanDerWaalsContact O-CG 3.28Å; M301-R305 WeakPolarHBondContact O-CG 3.49Å; M301-R305 PolarHBondContact O-N 2.72Å; M301-L312 HydrophobicContact SD-CD2 4.15Å; M301-L318 HydrophobicContact SD-CD1 3.58Å; M301-L318 VanDerWaalsContact SD-CD1 3.58Å; M301-I322 HydrophobicContact CE-CD1 4.28Å; M301-I322 HydrophobicContact CE-CG2 3.39Å; M301-I322 HydrophobicContact SD-CD1 4.16Å; M301-I322 HydrophobicContact SD-CG2 4.5Å; M301-V324 HydrophobicContact CE-CG2 4.14Å
302E86.1Confident86.3Confident100 Ų10054.9 Ų54.947%0.46726%0.264SS..Hα-helixtrans-70.1-40.1175.5-171.656.7-151.500112.2D298 A299 V300 F304 R305 S306D298-E302 WeakPolarHBondContact O-CB 3.47Å; D298-E302 PolarHBondContact O-N 3.3Å; A299-E302 PolarHBondContact O-N 3.47Å; V300-E302 VanDerWaalsContact C-N 3.3Å; V300-E302 PolarHBondContact O-N 3.43Å; E302-F304 VanDerWaalsContact C-N 3.33Å; E302-F304 PolarHBondContact O-N 2.73Å; E302-R305 PolarHBondContact O-N 2.88Å; E302-S306 VanDerWaalsContact O-CB 3.29Å; E302-S306 WeakPolarHBondContact O-CB 3.38Å; E302-S306 PolarHBondContact O-N 2.94Å; E302-S306 PolarHBondContact O-OG 3.21Å
303E88.1Confident86.5Confident74 Ų7453.3 Ų53.335%0.34626%0.256SS..Hα-helixtrans-60-42.2172.1-74.8174.918000112.5S286 A299 V300 S306 G307 R308 S309S286-E303 PolarHBondContact OG-OE2 3.4Å; A299-E303 WeakPolarHBondContact O-CG 3.42Å; A299-E303 PolarHBondContact O-N 2.83Å; V300-E303 PolarHBondContact O-N 3.46Å; E303-S306 PolarHBondContact O-OG 2.98Å; E303-S306 VanDerWaalsContact O-OG 3.1Å; E303-G307 PolarHBondContact O-N 3.47Å; E303-R308 PolarHBondContact O-N 3.41Å; E303-S309 PolarHBondContact O-N 2.9Å
304F86.4Confident86.7Confident0 Ų048.8 Ų48.80%023%0.232CC..Hα-helixtrans-69.2-48.9176.4-170.5-121.5000111.3Q260 V262 V300 E302 S306 G307 S309 L312 V324 V327Q260-F304 HydrophobicContact CB-CE2 3.94Å; Q260-F304 HydrophobicContact CB-CZ 3.95Å; Q260-F304 HydrophobicContact CG-CE2 4.44Å; Q260-F304 PolarHBondContact NE2-O 3.03Å; V262-F304 HydrophobicContact CG2-CE1 3.91Å; V262-F304 HydrophobicContact CG2-CZ 3.82Å; V300-F304 PolarHBondContact O-N 2.91Å; E302-F304 VanDerWaalsContact C-N 3.33Å; E302-F304 PolarHBondContact O-N 2.73Å; F304-S306 VanDerWaalsContact C-N 3.27Å; F304-S306 PolarHBondContact O-N 3.49Å; F304-G307 PolarHBondContact O-N 3.16Å; F304-S309 WeakPolarHBondContact CD2-O 3.29Å; F304-L312 HydrophobicContact CB-CD1 4.39Å; F304-L312 HydrophobicContact CB-CD2 4.49Å; F304-L312 HydrophobicContact CD1-CB 3.93Å; F304-L312 HydrophobicContact CD1-CD2 3.49Å; F304-L312 VanDerWaalsContact CD1-CD2 3.49Å; F304-L312 HydrophobicContact CD1-CG 4.25Å; F304-L312 HydrophobicContact CD2-CB 3.62Å; F304-L312 HydrophobicContact CE1-CB 3.75Å; F304-L312 HydrophobicContact CE1-CD2 3.65Å; F304-L312 HydrophobicContact CE1-CG 4.35Å; F304-L312 HydrophobicContact CE2-CB 3.49Å; F304-L312 VanDerWaalsContact CE2-CB 3.49Å; F304-L312 HydrophobicContact CG-CB 3.83Å; F304-L312 HydrophobicContact CG-CD1 4.39Å; F304-L312 HydrophobicContact CG-CD2 3.97Å; F304-L312 HydrophobicContact CG-CG 4.31Å; F304-L312 HydrophobicContact CZ-CB 3.55Å; F304-L312 HydrophobicContact CZ-CD2 4.33Å; F304-V324 HydrophobicContact CD1-CB 4.41Å; F304-V324 HydrophobicContact CD1-CG1 3.72Å; F304-V324 HydrophobicContact CD1-CG2 3.96Å; F304-V324 HydrophobicContact CE1-CB 4.05Å; F304-V324 HydrophobicContact CE1-CG1 3.47Å; F304-V324 VanDerWaalsContact CE1-CG1 3.47Å; F304-V324 HydrophobicContact CE1-CG2 3.88Å; F304-V324 HydrophobicContact CZ-CG1 4.41Å; F304-V327 HydrophobicContact CE1-CG2 3.88Å; F304-V327 HydrophobicContact CZ-CG2 3.93Å
305R82.1Confident87.2Confident97 Ų9748.8 Ų48.837%0.36623%0.233SC..Hα-helixtrans-61.7-32.6179.6-73.4-176.8-165.6114.10.1113.8M301 E302 G307M301-R305 WeakPolarHBondContact O-CB 3.47Å; M301-R305 VanDerWaalsContact O-CG 3.28Å; M301-R305 WeakPolarHBondContact O-CG 3.49Å; M301-R305 PolarHBondContact O-N 2.72Å; E302-R305 PolarHBondContact O-N 2.88Å; R305-G307 PolarHBondContact O-N 3.36Å
306S83.2Confident87.1Confident54 Ų5442.7 Ų42.738%0.37821%0.205SC..THydrogen-bonded Turntrans-77.5-6.2176.757.90000113.9E302 E303 F304 R308E302-S306 VanDerWaalsContact O-CB 3.29Å; E302-S306 WeakPolarHBondContact O-CB 3.38Å; E302-S306 PolarHBondContact O-N 2.94Å; E302-S306 PolarHBondContact O-OG 3.21Å; E303-S306 PolarHBondContact O-OG 2.98Å; E303-S306 VanDerWaalsContact O-OG 3.1Å; F304-S306 VanDerWaalsContact C-N 3.27Å; F304-S306 PolarHBondContact O-N 3.49Å; S306-R308 PolarHBondContact O-N 2.83Å; S306-R308 VanDerWaalsContact OG-CZ 3.29Å; S306-R308 PolarHBondContact OG-NH1 2.88Å
307G82Confident86.3Confident14 Ų1438.1 Ų38.114%0.14419%0.186CC..THydrogen-bonded Turntrans76.76.9-177.400000114.5E303 F304 R305 S309E303-G307 PolarHBondContact O-N 3.47Å; F304-G307 PolarHBondContact O-N 3.16Å; R305-G307 PolarHBondContact O-N 3.36Å; G307-S309 PolarHBondContact O-N 2.83Å
308R85.1Confident85.6Confident145 Ų14537.7 Ų37.755%0.54719%0.185SC..SBendtrans-66.3-31173.6-72.5-166.5-65.8-96.6-1.3111.9Q284 E303 S306Q284-R308 PolarHBondContact OE1-O 2.99Å; E303-R308 PolarHBondContact O-N 3.41Å; S306-R308 PolarHBondContact O-N 2.83Å; S306-R308 VanDerWaalsContact OG-CZ 3.29Å; S306-R308 PolarHBondContact OG-NH1 2.88Å
309S85.6Confident84.3Confident3 Ų335.4 Ų35.42%0.02117%0.173CC..  trans-110.9130.6169.3-170.30000109.4Q260 Q284 S286 E303 F304 G307 I311Q260-S309 PolarHBondContact NE2-O 3.33Å; Q260-S309 VanDerWaalsContact NE2-O 3.13Å; Q284-S309 PolarHBondContact O-OG 3.27Å; S286-S309 WeakPolarHBondContact CB-OG 3.2Å; S286-S309 PolarHBondContact N-OG 2.8Å; S286-S309 VanDerWaalsContact N-OG 3.09Å; S286-S309 WeakPolarHBondContact OG-CB 3.49Å; S286-S309 PolarHBondContact OG-OG 3.35Å; E303-S309 PolarHBondContact O-N 2.9Å; F304-S309 WeakPolarHBondContact CD2-O 3.29Å; G307-S309 PolarHBondContact O-N 2.83Å; S309-I311 PolarHBondContact OG-O 3Å
310R85.6Confident83.1Confident105 Ų10533.4 Ų33.440%0.39616%0.155SC..SBendtrans-92-22.8176.6-63.4-65.3177.4165.8-6111.8L258 Q260 V261 Q284L258-R310 PolarHBondContact O-NH1 3Å; Q260-R310 WeakPolarHBondContact CA-O 3.48Å; V261-R310 PolarHBondContact N-O 3.43Å; Q284-R310 PolarHBondContact O-N 3.29Å
311I89.4Confident81.5Confident4 Ų432.7 Ų32.72%0.02115%0.151CC..EExtended strand (participates in β ladder)trans-116.4118.6-177.6-49.9-179.2000108.8Y253 I263 F283 Q284 V285 S286 S309Y253-I311 HydrophobicContact CD1-CD1 4.05Å; Y253-I311 HydrophobicContact CD1-CG1 4.47Å; Y253-I311 HydrophobicContact CD2-CD1 4.2Å; Y253-I311 HydrophobicContact CE1-CD1 3.47Å; Y253-I311 VanDerWaalsContact CE1-CD1 3.47Å; Y253-I311 HydrophobicContact CE1-CG1 3.51Å; Y253-I311 HydrophobicContact CE2-CD1 3.66Å; Y253-I311 HydrophobicContact CE2-CG1 4.3Å; Y253-I311 HydrophobicContact CG-CD1 4.4Å; Y253-I311 VanDerWaalsContact CZ-CG1 3.44Å; Y253-I311 VanDerWaalsContact OH-CG1 3.24Å; Y253-I311 WeakPolarHBondContact OH-CG1 3.46Å; Y253-I311 WeakPolarHBondContact OH-CG2 3.47Å; I263-I311 HydrophobicContact CD1-CG2 3.49Å; I263-I311 VanDerWaalsContact CD1-CG2 3.49Å; I263-I311 HydrophobicContact CG1-CG2 4.13Å; F283-I311 HydrophobicContact CB-CD1 4.11Å; F283-I311 HydrophobicContact CD1-CD1 3.99Å; F283-I311 HydrophobicContact CG-CD1 4.35Å; Q284-I311 PolarHBondContact O-N 2.82Å; V285-I311 HydrophobicContact CB-CB 3.97Å; V285-I311 HydrophobicContact CB-CG2 4.18Å; V285-I311 HydrophobicContact CG2-CB 3.97Å; V285-I311 HydrophobicContact CG2-CG2 3.69Å; S286-I311 PolarHBondContact N-O 2.72Å; S309-I311 PolarHBondContact OG-O 3Å
312L90.8Very high80.4Confident2 Ų232.8 Ų32.81%0.0115%0.151CC..EExtended strand (participates in β ladder)trans-106.2107.1167.6-173.763.1000109.7V261 V262 I263 I288 V300 M301 F304 L318V261-L312 PolarHBondContact O-N 2.95Å; V262-L312 CarbonylContact C-O 3.57Å; V262-L312 WeakPolarHBondContact CA-O 3.16Å; V262-L312 HydrophobicContact CG2-CB 4.4Å; I263-L312 PolarHBondContact N-O 3.3Å; I288-L312 HydrophobicContact CG2-CD1 3.59Å; I288-L312 HydrophobicContact CG2-CD2 4.4Å; I288-L312 HydrophobicContact CG2-CG 4.08Å; V300-L312 HydrophobicContact CG1-CD1 3.8Å; M301-L312 HydrophobicContact SD-CD2 4.15Å; F304-L312 HydrophobicContact CB-CD1 4.39Å; F304-L312 HydrophobicContact CB-CD2 4.49Å; F304-L312 HydrophobicContact CD1-CB 3.93Å; F304-L312 HydrophobicContact CD1-CD2 3.49Å; F304-L312 VanDerWaalsContact CD1-CD2 3.49Å; F304-L312 HydrophobicContact CD1-CG 4.25Å; F304-L312 HydrophobicContact CD2-CB 3.62Å; F304-L312 HydrophobicContact CE1-CB 3.75Å; F304-L312 HydrophobicContact CE1-CD2 3.65Å; F304-L312 HydrophobicContact CE1-CG 4.35Å; F304-L312 HydrophobicContact CE2-CB 3.49Å; F304-L312 VanDerWaalsContact CE2-CB 3.49Å; F304-L312 HydrophobicContact CG-CB 3.83Å; F304-L312 HydrophobicContact CG-CD1 4.39Å; F304-L312 HydrophobicContact CG-CD2 3.97Å; F304-L312 HydrophobicContact CG-CG 4.31Å; F304-L312 HydrophobicContact CZ-CB 3.55Å; F304-L312 HydrophobicContact CZ-CD2 4.33Å; L312-L318 HydrophobicContact CD2-CD1 3.64Å; L312-L318 HydrophobicContact CG-CD1 4.37Å
313L92.2Very high79.1Confident0 Ų029.7 Ų29.70%014%0.138CC..EExtended strand (participates in β ladder)trans-91.3129.7172.3-170145.3000109.8I263 V265 S271 I274 V285 S286 C287 I288I263-L313 HydrophobicContact CB-CB 4.49Å; I263-L313 HydrophobicContact CB-CD1 4.4Å; I263-L313 HydrophobicContact CB-CG 4.31Å; I263-L313 HydrophobicContact CG2-CD1 4.24Å; I263-L313 HydrophobicContact CG2-CG 4.48Å; I263-L313 WeakPolarHBondContact O-CA 3.28Å; V265-L313 HydrophobicContact CG2-CD2 4.05Å; S271-L313 VanDerWaalsContact CA-CD2 3.43Å; S271-L313 WeakPolarHBondContact O-CD2 3.3Å; S271-L313 WeakPolarHBondContact OG-CD2 3.35Å; I274-L313 HydrophobicContact CB-CD1 3.77Å; I274-L313 HydrophobicContact CG2-CD1 3.39Å; V285-L313 HydrophobicContact CG2-CB 4.16Å; S286-L313 PolarHBondContact O-N 3.2Å; C287-L313 CarbonylContact C-O 3.57Å; C287-L313 VanDerWaalsContact CA-O 3.29Å; C287-L313 WeakPolarHBondContact CA-O 3.35Å; I288-L313 PolarHBondContact N-O 3.49Å
314S91.2Very high78Confident0 Ų026.7 Ų26.70%013%0.125CC..EExtended strand (participates in β ladder)trans-148.8155.6-175.8-163.50000114.3I263 F264 V265 I288 L318I263-S314 PolarHBondContact O-N 3.05Å; F264-S314 VanDerWaalsContact CA-O 3.3Å; F264-S314 WeakPolarHBondContact CA-O 3.45Å; V265-S314 PolarHBondContact N-O 3.48Å; I288-S314 WeakPolarHBondContact O-CA 3.34Å; I288-S314 PolarHBondContact O-OG 3.4Å; S314-L318 WeakPolarHBondContact OG-CG 3.47Å
315T89.7Confident76.7Confident12 Ų1231.8 Ų31.87%0.07415%0.149CC..  trans-80.7-178.716161.90000111.1V265 V268 H289 I317 L318V265-T315 HydrophobicContact CG2-CG2 4.29Å; V265-T315 WeakPolarHBondContact O-CA 3.45Å; V268-T315 HydrophobicContact CG2-CG2 4.41Å; H289-T315 HydrophobicContact CB-CG2 4.13Å; T315-I317 PolarHBondContact O-N 2.84Å; T315-I317 WeakPolarHBondContact OG1-CD1 3.29Å; T315-I317 WeakPolarHBondContact OG1-CG1 3.47Å; T315-L318 PolarHBondContact O-N 2.94Å
316D84.5Confident75.9Confident40 Ų4032.8 Ų32.821%0.21416%0.157CC..THydrogen-bonded Turntrans-60.6-1.7178.7-71.6-45.1000116L318 A319 T341 R345D316-L318 PolarHBondContact O-N 2.83Å; D316-A319 HydrophobicContact CB-CB 4.4Å; D316-A319 WeakPolarHBondContact O-CB 3.33Å; D316-A319 PolarHBondContact O-N 3.28Å; D316-T341 HydrophobicContact CB-CG2 4.35Å; D316-T341 WeakPolarHBondContact OD1-CG2 3.38Å; D316-R345 IonicContact OD1-CZ 3.48Å; D316-R345 IonicContact OD1-NE 3.68Å; D316-R345 PolarHBondContact OD1-NE 2.84Å; D316-R345 IonicContact OD1-NH2 2.94Å; D316-R345 PolarHBondContact OD1-NH2 2.83Å; D316-R345 IonicContact OD2-CZ 3.34Å; D316-R345 IonicContact OD2-NH2 2.92Å; D316-R345 PolarHBondContact OD2-NH2 3.05Å
317I74.2Confident75.4Confident21 Ų2130.5 Ų30.511%0.10814%0.141CC..THydrogen-bonded Turntrans-62.9-35176-62.4170.6000111.2T315T315-I317 PolarHBondContact O-N 2.84Å; T315-I317 WeakPolarHBondContact OG1-CD1 3.29Å; T315-I317 WeakPolarHBondContact OG1-CG1 3.47Å
318L71.4Confident75.2Confident5 Ų531 Ų313%0.02614%0.143CC..SBendtrans-98.9-2176.6-58-159000114.3I288 M301 L312 S314 T315 D316 R320 I322I288-L318 HydrophobicContact CB-CD1 4.32Å; I288-L318 HydrophobicContact CD1-CD1 4.08Å; I288-L318 HydrophobicContact CD1-CD2 3.83Å; I288-L318 HydrophobicContact CD1-CG 4.38Å; I288-L318 HydrophobicContact CG1-CD1 4.27Å; I288-L318 HydrophobicContact CG1-CD2 4.1Å; I288-L318 HydrophobicContact CG1-CG 4.36Å; I288-L318 HydrophobicContact CG2-CD1 3.18Å; I288-L318 HydrophobicContact CG2-CD2 4.46Å; I288-L318 HydrophobicContact CG2-CG 3.83Å; M301-L318 HydrophobicContact SD-CD1 3.58Å; M301-L318 VanDerWaalsContact SD-CD1 3.58Å; L312-L318 HydrophobicContact CD2-CD1 3.64Å; L312-L318 HydrophobicContact CG-CD1 4.37Å; S314-L318 WeakPolarHBondContact OG-CG 3.47Å; T315-L318 PolarHBondContact O-N 2.94Å; D316-L318 PolarHBondContact O-N 2.83Å; L318-R320 PolarHBondContact O-N 2.91Å; L318-I322 HydrophobicContact CB-CD1 3.86Å; L318-I322 HydrophobicContact CD1-CD1 3.81Å; L318-I322 HydrophobicContact CD2-CD1 3.03Å; L318-I322 HydrophobicContact CD2-CG1 4.38Å; L318-I322 HydrophobicContact CG-CD1 3.66Å
319A57.7Low75.2Confident0 Ų024.1 Ų24.10%012%0.117CC..SBendtrans-58.2-23.7175.600000111.4F264 D316 T341 H344 R345 R348F264-A319 HydrophobicContact CE1-CB 3.93Å; F264-A319 HydrophobicContact CZ-CB 4.21Å; D316-A319 HydrophobicContact CB-CB 4.4Å; D316-A319 WeakPolarHBondContact O-CB 3.33Å; D316-A319 PolarHBondContact O-N 3.28Å; A319-T341 HydrophobicContact CB-CG2 4.47Å; A319-H344 HydrophobicContact CB-CB 4.4Å; A319-H344 CarbonylContact O-C 3.59Å; A319-R345 HydrophobicContact CB-CG 3.75Å; A319-R348 PolarHBondContact O-NE 3.32Å; A319-R348 PolarHBondContact O-NH2 2.88Å
320R65.5Low75.4Confident7 Ų724 Ų243%0.02612%0.116CC..SBendtrans-123.8148.1-174.8-55.8-168.9-157.8169.41.1112E169 D171 Q172 D175 L318 I322 T341 H344E169-R320 WeakPolarHBondContact OE2-CB 3.29Å; D171-R320 IonicContact OD2-NH1 3.71Å; Q172-R320 VanDerWaalsContact CD-CD 3.44Å; Q172-R320 VanDerWaalsContact OE1-CB 3.29Å; D175-R320 IonicContact OD2-CZ 3.65Å; D175-R320 IonicContact OD2-NH1 2.74Å; D175-R320 PolarHBondContact OD2-NH1 3.04Å; D175-R320 IonicContact OD2-NH2 2.76Å; D175-R320 PolarHBondContact OD2-NH2 2.9Å; L318-R320 PolarHBondContact O-N 2.91Å; R320-I322 VanDerWaalsContact C-N 3.33Å; R320-I322 PolarHBondContact O-N 3.13Å; R320-T341 PolarHBondContact NH2-OG1 3.08Å; R320-H344 VanDerWaalsContact CD-CG 3.47Å; R320-H344 HydrophobicContact CG-CB 3.59Å; R320-H344 VanDerWaalsContact CG-CG 3.5Å; R320-H344 PolarHBondContact NE-CD2 3.3Å; R320-H344 VanDerWaalsContact NE-CG 3.31Å; R320-H344 PolarHBondContact NE-NE2 3.43Å
321G55.2Low75.8Confident2 Ų219 Ų192%0.02110%0.097CC..SBendtrans79.5-32.2172.200000119.1Q102 E169 D323 R348Q102-G321 PolarHBondContact NE2-O 3.29Å; Q102-G321 PolarHBondContact OE1-O 2.89Å; E169-G321 WeakPolarHBondContact OE1-CA 3.33Å; E169-G321 PolarHBondContact OE1-N 3.46Å; E169-G321 PolarHBondContact OE2-N 3.05Å; G321-D323 PolarHBondContact O-N 2.87Å; G321-R348 VanDerWaalsContact N-NH2 3.19Å
322I61.6Low76Confident3 Ų318.8 Ų18.82%0.01510%0.096CC..  trans-82.2118.3-167.3-60.4-173.5000114.4E98 M301 L318 R320 V324 R348E98-I322 HydrophobicContact CB-CD1 3.85Å; E98-I322 HydrophobicContact CB-CG1 4.06Å; E98-I322 HydrophobicContact CG-CD1 4.07Å; M301-I322 HydrophobicContact CE-CD1 4.28Å; M301-I322 HydrophobicContact CE-CG2 3.39Å; M301-I322 HydrophobicContact SD-CD1 4.16Å; M301-I322 HydrophobicContact SD-CG2 4.5Å; L318-I322 HydrophobicContact CB-CD1 3.86Å; L318-I322 HydrophobicContact CD1-CD1 3.81Å; L318-I322 HydrophobicContact CD2-CD1 3.03Å; L318-I322 HydrophobicContact CD2-CG1 4.38Å; L318-I322 HydrophobicContact CG-CD1 3.66Å; R320-I322 VanDerWaalsContact C-N 3.33Å; R320-I322 PolarHBondContact O-N 3.13Å; I322-V324 HydrophobicContact CG2-CG2 3.68Å; I322-V324 PolarHBondContact O-N 2.86Å; I322-R348 VanDerWaalsContact C-NH1 3.3Å; I322-R348 PolarHBondContact O-NH1 3.32Å
323D60.8Low76.3Confident35 Ų3519.2 Ų19.219%0.18710%0.097CC..  trans-78.298.7170.7-164.828.9000111.5G321 Q325 R351G321-D323 PolarHBondContact O-N 2.87Å; D323-Q325 VanDerWaalsContact OD1-CG 3.3Å; D323-Q325 WeakPolarHBondContact OD1-CG 3.38Å; D323-Q325 WeakPolarHBondContact OD2-CG 3.49Å; D323-Q325 PolarHBondContact OD2-NE2 3.03Å; D323-R351 VanDerWaalsContact CB-NH1 3.26Å; D323-R351 VanDerWaalsContact CG-NH1 3.25Å; D323-R351 IonicContact OD1-CZ 3.89Å; D323-R351 IonicContact OD1-NH1 2.95Å; D323-R351 PolarHBondContact OD1-NH1 3.24Å
324V64.4Low76.4Confident11 Ų1119.5 Ų19.57%0.06710%0.099CC..  trans-114.193.5161.2-162.40000107.1M301 F304 I322 Q326 V327M301-V324 HydrophobicContact CE-CG2 4.14Å; F304-V324 HydrophobicContact CD1-CB 4.41Å; F304-V324 HydrophobicContact CD1-CG1 3.72Å; F304-V324 HydrophobicContact CD1-CG2 3.96Å; F304-V324 HydrophobicContact CE1-CB 4.05Å; F304-V324 HydrophobicContact CE1-CG1 3.47Å; F304-V324 VanDerWaalsContact CE1-CG1 3.47Å; F304-V324 HydrophobicContact CE1-CG2 3.88Å; F304-V324 HydrophobicContact CZ-CG1 4.41Å; I322-V324 HydrophobicContact CG2-CG2 3.68Å; I322-V324 PolarHBondContact O-N 2.86Å; V324-Q326 PolarHBondContact O-N 2.95Å; V324-V327 HydrophobicContact CB-CG2 3.69Å; V324-V327 HydrophobicContact CG1-CG2 3.7Å; V324-V327 PolarHBondContact O-N 3.34Å
325Q59.5Low76.6Confident108 Ų10820 Ų2051%0.50510%0.101SC..THydrogen-bonded Turntrans-63.1-15.1-173.2-63.4-178.6-4.600113.6D323 R354D323-Q325 VanDerWaalsContact OD1-CG 3.3Å; D323-Q325 WeakPolarHBondContact OD1-CG 3.38Å; D323-Q325 WeakPolarHBondContact OD2-CG 3.49Å; D323-Q325 PolarHBondContact OD2-NE2 3.03Å; Q325-R354 PolarHBondContact O-NH1 3.06Å
326Q64.3Low76.7Confident117 Ų11720 Ų2055%0.54710%0.102SC..THydrogen-bonded Turntrans-103.15.7-170.6-66.5-173.43.600114.5V324 S328V324-Q326 PolarHBondContact O-N 2.95Å; Q326-S328 PolarHBondContact O-N 3.44Å
327V73.1Confident76.7Confident7 Ų722.8 Ų22.84%0.04212%0.124CC..EExtended strand (participates in β ladder)trans-81.9111.3179.7179.80000109.1V262 F304 V324 L329 V330 R348 G349V262-V327 HydrophobicContact CB-CG1 4.29Å; V262-V327 HydrophobicContact CG2-CB 4.32Å; V262-V327 HydrophobicContact CG2-CG1 3.75Å; V262-V327 HydrophobicContact CG2-CG2 3.58Å; F304-V327 HydrophobicContact CE1-CG2 3.88Å; F304-V327 HydrophobicContact CZ-CG2 3.93Å; V324-V327 HydrophobicContact CB-CG2 3.69Å; V324-V327 HydrophobicContact CG1-CG2 3.7Å; V324-V327 PolarHBondContact O-N 3.34Å; V327-L329 VanDerWaalsContact CG1-O 3.24Å; V327-L329 WeakPolarHBondContact CG1-O 3.35Å; V327-V330 HydrophobicContact CG1-CG2 4.18Å; V327-R348 HydrophobicContact CG1-CB 4.49Å; V327-G349 WeakPolarHBondContact O-CA 3.34Å
328S77.4Confident77.3Confident24 Ų2424.7 Ų24.717%0.16814%0.135CC..EExtended strand (participates in β ladder)trans-93.1-28.4171.672.70000112.3S259 Q326 G356 T357 L392S259-S328 WeakPolarHBondContact CB-OG 3.48Å; S259-S328 PolarHBondContact OG-OG 2.98Å; Q326-S328 PolarHBondContact O-N 3.44Å; S328-G356 WeakPolarHBondContact O-CA 3.39Å; S328-T357 PolarHBondContact O-N 2.94Å; S328-L392 PolarHBondContact OG-OXT 3.33Å
329L86.2Confident77.9Confident0 Ų029 Ų290%015%0.15CC..EExtended strand (participates in β ladder)trans-118.5131.3178.9-176.670.3000112.9L252 M256 V261 V262 V327 V331 T357 I359 L392L252-L329 HydrophobicContact CD2-CD2 4.26Å; M256-L329 HydrophobicContact CE-CB 3.69Å; M256-L329 HydrophobicContact CE-CD2 3.15Å; M256-L329 HydrophobicContact CE-CG 3.99Å; M256-L329 HydrophobicContact SD-CD2 3.14Å; M256-L329 WeakPolarHBondContact SD-CD2 3.2Å; M256-L329 HydrophobicContact SD-CG 4.48Å; V261-L329 WeakPolarHBondContact CA-O 3.47Å; V261-L329 HydrophobicContact CG1-CB 4.35Å; V261-L329 HydrophobicContact CG1-CD2 4.01Å; V261-L329 HydrophobicContact CG1-CG 4.19Å; V261-L329 HydrophobicContact CG2-CB 4.22Å; V261-L329 HydrophobicContact CG2-CD2 4.26Å; V262-L329 PolarHBondContact N-O 3.46Å; V262-L329 VanDerWaalsContact N-O 3.13Å; V327-L329 VanDerWaalsContact CG1-O 3.24Å; V327-L329 WeakPolarHBondContact CG1-O 3.35Å; L329-V331 HydrophobicContact CD2-CG2 3.6Å; L329-V331 HydrophobicContact CG-CG2 3.96Å; L329-T357 WeakPolarHBondContact CA-O 3.34Å; L329-T357 HydrophobicContact CD1-CG2 3.66Å; L329-T357 WeakPolarHBondContact CD1-O 3.22Å; L329-I359 HydrophobicContact CD1-CD1 3.72Å; L329-I359 HydrophobicContact CD1-CG1 3.86Å; L329-I359 HydrophobicContact CD2-CD1 4.25Å; L329-L392 HydrophobicContact CB-CD2 4.47Å; L329-L392 HydrophobicContact CD1-CD2 3.9Å; L329-L392 HydrophobicContact CD2-CD2 4.22Å; L329-L392 HydrophobicContact CG-CD2 4.43Å
330V89.3Confident79.1Confident0 Ų031 Ų310%016%0.16CC..EExtended strand (participates in β ladder)trans-109.7130.3164.1179.10000109.2V262 F264 V327 R348 T357 A358 I359V262-V330 CarbonylContact O-C 3.53Å; V262-V330 WeakPolarHBondContact O-CA 3.32Å; F264-V330 HydrophobicContact CD2-CG1 3.71Å; F264-V330 HydrophobicContact CE2-CG1 3.76Å; V327-V330 HydrophobicContact CG1-CG2 4.18Å; V330-R348 HydrophobicContact CG2-CB 3.96Å; V330-T357 PolarHBondContact N-O 3.39Å; V330-A358 CarbonylContact O-C 3.48Å; V330-A358 VanDerWaalsContact O-CA 3.28Å; V330-A358 WeakPolarHBondContact O-CA 3.49Å; V330-I359 PolarHBondContact O-N 3.42Å
331V92.8Very high80Confident0 Ų031 Ų310%016%0.16CC..EExtended strand (participates in β ladder)trans-113.2116.4172.6-1780000109L249 L252 V261 V262 I263 F264 L329 Y333 I359 F361L249-V331 HydrophobicContact CD1-CG1 4.14Å; L252-V331 HydrophobicContact CD2-CG2 3.95Å; V261-V331 HydrophobicContact CG1-CG2 3.83Å; V262-V331 PolarHBondContact O-N 3.44Å; I263-V331 CarbonylContact C-O 3.59Å; I263-V331 VanDerWaalsContact CA-O 3.29Å; I263-V331 WeakPolarHBondContact CA-O 3.21Å; I263-V331 HydrophobicContact CG1-CB 4.3Å; F264-V331 PolarHBondContact N-O 2.96Å; L329-V331 HydrophobicContact CD2-CG2 3.6Å; L329-V331 HydrophobicContact CG-CG2 3.96Å; V331-Y333 PolarHBondContact O-N 3.48Å; V331-I359 CarbonylContact C-O 3.53Å; V331-I359 WeakPolarHBondContact CA-O 3.48Å; V331-F361 HydrophobicContact CG1-CE1 4.18Å; V331-F361 HydrophobicContact CG1-CE2 4.32Å; V331-F361 HydrophobicContact CG1-CZ 4.1Å
332N95.1Very high81.6Confident0 Ų030.9 Ų30.90%016%0.16CC..EExtended strand (participates in β ladder)trans-85.692.9167.4-68.8-38.7000107.6D334 R345 I359 N360 F361N332-D334 VanDerWaalsContact C-N 3.28Å; N332-R345 WeakPolarHBondContact OD1-CD 3.44Å; N332-I359 PolarHBondContact N-O 3.36Å; N332-N360 WeakPolarHBondContact CB-OD1 3.44Å; N332-N360 PolarHBondContact ND2-OD1 3.09Å; N332-F361 PolarHBondContact O-N 3.03Å
333Y95.9Very high82.5Confident12 Ų1231.5 Ų31.55%0.04716%0.163CC..SBendtrans-64.6-39.9175.6-170.8-77.3000110.3K245 L246 L249 F264 V265 K270 I274 V331 F361K245-Y333 HydrophobicContact CB-CD1 4.47Å; K245-Y333 HydrophobicContact CB-CD2 4.44Å; K245-Y333 HydrophobicContact CB-CE1 3.72Å; K245-Y333 HydrophobicContact CB-CE2 3.72Å; K245-Y333 VanDerWaalsContact CB-OH 3.29Å; K245-Y333 WeakPolarHBondContact CB-OH 3.46Å; K245-Y333 HydrophobicContact CD-CD1 3.93Å; K245-Y333 HydrophobicContact CD-CE1 3.67Å; K245-Y333 VanDerWaalsContact CD-O 3.23Å; K245-Y333 WeakPolarHBondContact CD-O 3.47Å; K245-Y333 VanDerWaalsContact CE-O 3.3Å; K245-Y333 WeakPolarHBondContact CE-O 3.24Å; K245-Y333 HydrophobicContact CG-CE1 4.34Å; K245-Y333 PolarHBondContact NZ-O 3.45Å; L246-Y333 PolarHBondContact N-OH 3.49Å; L249-Y333 HydrophobicContact CB-CE2 4.48Å; L249-Y333 HydrophobicContact CD2-CD2 4.12Å; L249-Y333 HydrophobicContact CD2-CE2 4.16Å; F264-Y333 WeakPolarHBondContact O-CB 3.43Å; F264-Y333 PolarHBondContact O-N 3.04Å; V265-Y333 HydrophobicContact CG1-CD1 4.18Å; V265-Y333 HydrophobicContact CG1-CG 4.14Å; K270-Y333 HydrophobicContact CD-CD1 4.22Å; K270-Y333 HydrophobicContact CD-CE1 4.11Å; I274-Y333 HydrophobicContact CD1-CD1 3.78Å; I274-Y333 HydrophobicContact CD1-CD2 4.03Å; I274-Y333 HydrophobicContact CD1-CE1 3.53Å; I274-Y333 HydrophobicContact CD1-CE2 3.75Å; I274-Y333 HydrophobicContact CD1-CG 4.03Å; I274-Y333 VanDerWaalsContact CD1-CZ 3.48Å; V331-Y333 PolarHBondContact O-N 3.48Å; Y333-F361 HydrophobicContact CD2-CD2 4.09Å; Y333-F361 HydrophobicContact CD2-CE2 4.27Å; Y333-F361 HydrophobicContact CE2-CD2 4.5Å
334D95.5Very high83.4Confident6 Ų629.9 Ų29.93%0.03215%0.154CC..SBendtrans-110.6141.1165.3-61.3-37.3000108.9K245 F264 N266 K270 N332 R345K245-D334 IonicContact NZ-OD1 2.83Å; F264-D334 PolarHBondContact O-N 3.09Å; N266-D334 HydrophobicContact CB-CB 4.19Å; N266-D334 VanDerWaalsContact CG-CB 3.5Å; N266-D334 PolarHBondContact N-OD2 3.45Å; N266-D334 WeakPolarHBondContact ND2-CB 3.11Å; K270-D334 WeakPolarHBondContact CD-OD2 3.44Å; K270-D334 IonicContact NZ-OD1 2.78Å; K270-D334 PolarHBondContact NZ-OD1 3.4Å; K270-D334 IonicContact NZ-OD2 2.72Å; K270-D334 PolarHBondContact NZ-OD2 3.11Å; N332-D334 VanDerWaalsContact C-N 3.28Å; D334-R345 PolarHBondContact O-NH1 2.86Å
335L94.2Very high84.4Confident10 Ų1029.3 Ų29.35%0.05215%0.151CC..  trans-60.4143.5165-74.3-176.7000110.1N266 N360 I362 E366 A369 L370 L373N266-L335 PolarHBondContact ND2-O 3.28Å; N266-L335 PolarHBondContact OD1-O 3.44Å; L335-N360 HydrophobicContact CD2-CB 4.04Å; L335-I362 HydrophobicContact CD1-CG2 3.91Å; L335-I362 HydrophobicContact CD2-CG2 4.16Å; L335-I362 HydrophobicContact CG-CG2 4.07Å; L335-E366 HydrophobicContact CD1-CB 3.99Å; L335-A369 HydrophobicContact CD1-CB 4.11Å; L335-L370 HydrophobicContact CD1-CB 4.37Å; L335-L370 HydrophobicContact CD2-CD1 4.17Å; L335-L373 HydrophobicContact CD2-CD1 4.22Å
336P91.4Very high85.5Confident13 Ų1324.3 Ų24.38%0.08413%0.127CC..  trans-65.3142.5-179.728-34.4000111.2N338 T341 Y342 L373P336-N338 PolarHBondContact O-N 3.3Å; P336-T341 HydrophobicContact CB-CG2 3.95Å; P336-Y342 HydrophobicContact CG-CD2 4.03Å; P336-Y342 HydrophobicContact CG-CG 4.39Å; P336-L373 HydrophobicContact CG-CD1 4.48Å
337S86.1Confident85.9Confident98 Ų9818.9 Ų18.969%0.68510%0.102SC*.SBendtrans-66.9-17.5-178.9-48.20000114.3
338N85.1Confident85.5Confident61 Ų6119 Ų1933%0.32610%0.102SC..SBendtrans-136.5154.2173.865.261.3000110.4P336 E340 T341P336-N338 PolarHBondContact O-N 3.3Å; N338-E340 PolarHBondContact O-N 3.1Å; N338-T341 VanDerWaalsContact CG-OG1 3.28Å; N338-T341 PolarHBondContact ND2-OG1 3.46Å; N338-T341 PolarHBondContact O-N 3.39Å; N338-T341 WeakPolarHBondContact OD1-CB 3.42Å; N338-T341 PolarHBondContact OD1-N 3.36Å; N338-T341 PolarHBondContact OD1-OG1 2.87Å
339R86.1Confident84.5Confident94 Ų9418 Ų1836%0.35510%0.095SC..Hα-helixtrans-63.3-46.6-172.9-57.3178.1-173.3171.6-2.2111T341 Y342 D372 L373 Y376 F377R339-T341 PolarHBondContact O-N 3.48Å; R339-Y342 WeakPolarHBondContact O-CB 3.49Å; R339-Y342 PolarHBondContact O-N 3.18Å; R339-D372 VanDerWaalsContact CZ-CG 3.46Å; R339-D372 IonicContact CZ-OD1 2.67Å; R339-D372 IonicContact CZ-OD2 2.67Å; R339-D372 IonicContact NE-OD1 3.05Å; R339-D372 IonicContact NE-OD2 2.93Å; R339-D372 PolarHBondContact NE-OD2 3.06Å; R339-D372 IonicContact NH1-OD1 3.47Å; R339-D372 IonicContact NH2-OD1 3.55Å; R339-D372 PolarHBondContact NH2-OD1 2.96Å; R339-D372 IonicContact NH2-OD2 3.46Å; R339-D372 PolarHBondContact NH2-OD2 3.46Å; R339-L373 HydrophobicContact CB-CD2 4.02Å; R339-L373 HydrophobicContact CG-CD2 4.09Å; R339-Y376 HydrophobicContact CB-CD1 3.81Å; R339-Y376 HydrophobicContact CB-CE1 3.94Å; R339-Y376 HydrophobicContact CB-CG 4.37Å; R339-Y376 HydrophobicContact CG-CD1 4.44Å; R339-F377 HydrophobicContact CB-CE2 4.15Å; R339-F377 HydrophobicContact CB-CZ 4.3Å; R339-F377 WeakPolarHBondContact O-CE2 3.49Å; R339-F377 WeakPolarHBondContact O-CZ 3.4Å
340E81.5Confident82.9Confident44 Ų4418.8 Ų18.821%0.20610%0.103CC..Hα-helixtrans-58.3-34.7-177.7-69.470-156.500112.5T201 N338 Y342 I343 H344 Y376T201-E340 HydrophobicContact CG2-CB 4.27Å; T201-E340 HydrophobicContact CG2-CG 4.04Å; N338-E340 PolarHBondContact O-N 3.1Å; E340-Y342 PolarHBondContact O-N 2.94Å; E340-I343 WeakPolarHBondContact O-CG1 3.45Å; E340-H344 PolarHBondContact O-CD2 2.88Å; E340-Y376 PolarHBondContact OE1-OH 3.33Å
341T85.3Confident81.4Confident5 Ų520 Ų203%0.03111%0.108CC..Hα-helixtrans-66.1-24.5178.5-64.30000112.6D316 A319 R320 P336 N338 R339 H344 R345D316-T341 HydrophobicContact CB-CG2 4.35Å; D316-T341 WeakPolarHBondContact OD1-CG2 3.38Å; A319-T341 HydrophobicContact CB-CG2 4.47Å; R320-T341 PolarHBondContact NH2-OG1 3.08Å; P336-T341 HydrophobicContact CB-CG2 3.95Å; N338-T341 VanDerWaalsContact CG-OG1 3.28Å; N338-T341 PolarHBondContact ND2-OG1 3.46Å; N338-T341 PolarHBondContact O-N 3.39Å; N338-T341 WeakPolarHBondContact OD1-CB 3.42Å; N338-T341 PolarHBondContact OD1-N 3.36Å; N338-T341 PolarHBondContact OD1-OG1 2.87Å; R339-T341 PolarHBondContact O-N 3.48Å; T341-H344 WeakPolarHBondContact O-CB 3.19Å; T341-H344 PolarHBondContact O-N 3.28Å; T341-R345 HydrophobicContact CG2-CG 4.13Å; T341-R345 WeakPolarHBondContact O-CG 3.07Å; T341-R345 PolarHBondContact O-N 3.41Å
342Y88Confident79.5Confident1 Ų126.8 Ų26.80%0.00414%0.138CC..Hα-helixtrans-56.8-55.3176.6-176.7-110.2000112.4Q234 P336 R339 E340 H344 R345 I346 N360 L373 F377 I381Q234-Y342 PolarHBondContact OE1-OH 2.95Å; P336-Y342 HydrophobicContact CG-CD2 4.03Å; P336-Y342 HydrophobicContact CG-CG 4.39Å; R339-Y342 WeakPolarHBondContact O-CB 3.49Å; R339-Y342 PolarHBondContact O-N 3.18Å; E340-Y342 PolarHBondContact O-N 2.94Å; Y342-H344 PolarHBondContact O-N 3.19Å; Y342-H344 VanDerWaalsContact O-N 3.16Å; Y342-R345 PolarHBondContact O-N 2.77Å; Y342-R345 VanDerWaalsContact O-N 3.14Å; Y342-I346 HydrophobicContact CD1-CD1 4.21Å; Y342-I346 HydrophobicContact CD2-CG2 4.33Å; Y342-I346 HydrophobicContact CE1-CD1 3.64Å; Y342-I346 HydrophobicContact CE1-CG1 4.46Å; Y342-I346 HydrophobicContact CE2-CG2 3.88Å; Y342-I346 WeakPolarHBondContact O-CG1 3.2Å; Y342-I346 PolarHBondContact O-N 2.86Å; Y342-N360 WeakPolarHBondContact CE2-OD1 3.36Å; Y342-N360 PolarHBondContact OH-ND2 3.06Å; Y342-L373 HydrophobicContact CD2-CD1 4.05Å; Y342-L373 HydrophobicContact CE2-CD1 4.49Å; Y342-L373 HydrophobicContact CG-CD1 4.29Å; Y342-L373 HydrophobicContact CG-CD2 4.23Å; Y342-F377 HydrophobicContact CD1-CD2 4.02Å; Y342-F377 HydrophobicContact CD1-CE2 4.05Å; Y342-I381 HydrophobicContact CE1-CD1 4.3Å; Y342-I381 WeakPolarHBondContact OH-CD1 3.37Å
343I81.4Confident77.7Confident15 Ų1529.4 Ų29.48%0.07716%0.164CC..Hα-helixtrans-60.7-30.3-179.359.7159.1000112.2A200 T201 E340 G347 F377A200-I343 HydrophobicContact CB-CD1 4.31Å; T201-I343 HydrophobicContact CG2-CD1 3.58Å; E340-I343 WeakPolarHBondContact O-CG1 3.45Å; I343-G347 WeakPolarHBondContact O-CA 3.36Å; I343-G347 PolarHBondContact O-N 3.36Å; I343-F377 HydrophobicContact CG1-CE1 4.42Å; I343-F377 HydrophobicContact CG1-CZ 4.44Å; I343-F377 HydrophobicContact CG2-CD1 3.65Å; I343-F377 HydrophobicContact CG2-CD2 4.29Å; I343-F377 HydrophobicContact CG2-CE1 3.36Å; I343-F377 HydrophobicContact CG2-CE2 4.04Å; I343-F377 HydrophobicContact CG2-CG 4.12Å; I343-F377 HydrophobicContact CG2-CZ 3.58Å
344H78.2Confident76.2Confident1 Ų135.5 Ų35.51%0.00519%0.187CC..Hα-helixtrans-71.6-46178.8-74.3-61.6000111.6D171 A200 A319 R320 E340 T341 Y342D171-H344 IonicContact OD2-CE1 3.44Å; D171-H344 PolarHBondContact OD2-CE1 2.96Å; D171-H344 IonicContact OD2-NE2 2.93Å; D171-H344 PolarHBondContact OD2-NE2 2.73Å; A200-H344 VanDerWaalsContact CB-CE1 3.48Å; A200-H344 WeakPolarHBondContact CB-CE1 3.49Å; A319-H344 HydrophobicContact CB-CB 4.4Å; A319-H344 CarbonylContact O-C 3.59Å; R320-H344 VanDerWaalsContact CD-CG 3.47Å; R320-H344 HydrophobicContact CG-CB 3.59Å; R320-H344 VanDerWaalsContact CG-CG 3.5Å; R320-H344 PolarHBondContact NE-CD2 3.3Å; R320-H344 VanDerWaalsContact NE-CG 3.31Å; R320-H344 PolarHBondContact NE-NE2 3.43Å; E340-H344 PolarHBondContact O-CD2 2.88Å; T341-H344 WeakPolarHBondContact O-CB 3.19Å; T341-H344 PolarHBondContact O-N 3.28Å; Y342-H344 PolarHBondContact O-N 3.19Å; Y342-H344 VanDerWaalsContact O-N 3.16Å
345R85.3Confident75.1Confident0 Ų044.2 Ų44.20%023%0.225CC..Hα-helixtrans-59.2-53.6175-72.2-174.9-178-173.40.8111.1F264 N266 D316 A319 N332 D334 T341 Y342 R348F264-R345 HydrophobicContact CB-CG 4.29Å; F264-R345 HydrophobicContact CD1-CG 4.14Å; F264-R345 HydrophobicContact CD2-CB 3.65Å; F264-R345 HydrophobicContact CD2-CG 3.65Å; F264-R345 HydrophobicContact CE1-CG 4.4Å; F264-R345 HydrophobicContact CE2-CB 3.73Å; F264-R345 HydrophobicContact CE2-CG 3.93Å; F264-R345 HydrophobicContact CG-CB 4.28Å; F264-R345 HydrophobicContact CG-CG 3.76Å; F264-R345 HydrophobicContact CZ-CB 4.44Å; F264-R345 HydrophobicContact CZ-CG 4.3Å; N266-R345 PolarHBondContact OD1-NH2 2.81Å; D316-R345 IonicContact OD1-CZ 3.48Å; D316-R345 IonicContact OD1-NE 3.68Å; D316-R345 PolarHBondContact OD1-NE 2.84Å; D316-R345 IonicContact OD1-NH2 2.94Å; D316-R345 PolarHBondContact OD1-NH2 2.83Å; D316-R345 IonicContact OD2-CZ 3.34Å; D316-R345 IonicContact OD2-NH2 2.92Å; D316-R345 PolarHBondContact OD2-NH2 3.05Å; A319-R345 HydrophobicContact CB-CG 3.75Å; N332-R345 WeakPolarHBondContact OD1-CD 3.44Å; D334-R345 PolarHBondContact O-NH1 2.86Å; T341-R345 HydrophobicContact CG2-CG 4.13Å; T341-R345 WeakPolarHBondContact O-CG 3.07Å; T341-R345 PolarHBondContact O-N 3.41Å; Y342-R345 PolarHBondContact O-N 2.77Å; Y342-R345 VanDerWaalsContact O-N 3.14Å; R345-R348 WeakPolarHBondContact O-CG 3.37Å
346I83.5Confident74.5Confident3 Ų343.9 Ų43.92%0.01522%0.224CC..Hα-helixtrans-74.2-30.2-173.369.5166.9000112.4L229 I232 Q234 Y342 R348 G349 A358L229-I346 HydrophobicContact CD1-CD1 4.23Å; L229-I346 HydrophobicContact CD1-CG1 3.92Å; I232-I346 WeakPolarHBondContact CD1-O 3.28Å; Q234-I346 HydrophobicContact CG-CD1 4.19Å; Y342-I346 HydrophobicContact CD1-CD1 4.21Å; Y342-I346 HydrophobicContact CD2-CG2 4.33Å; Y342-I346 HydrophobicContact CE1-CD1 3.64Å; Y342-I346 HydrophobicContact CE1-CG1 4.46Å; Y342-I346 HydrophobicContact CE2-CG2 3.88Å; Y342-I346 WeakPolarHBondContact O-CG1 3.2Å; Y342-I346 PolarHBondContact O-N 2.86Å; I346-R348 PolarHBondContact O-N 2.72Å; I346-G349 PolarHBondContact O-N 2.94Å; I346-A358 HydrophobicContact CB-CB 3.86Å; I346-A358 HydrophobicContact CG2-CB 3.53Å
347G72.8Confident74.3Confident2 Ų243.4 Ų43.42%0.02122%0.221CC..THydrogen-bonded Turntrans-61.24.5-179.400000116.6L229 I343L229-G347 VanDerWaalsContact CD1-CA 3.48Å; I343-G347 WeakPolarHBondContact O-CA 3.36Å; I343-G347 PolarHBondContact O-N 3.36Å
348R64.4Low74.5Confident11 Ų1138.7 Ų38.74%0.04219%0.188CC..THydrogen-bonded Turntrans-77.2-33.2168.9-55.1-65.2138.4-170.6-8.5112.3A319 G321 I322 V327 V330 R345 I346 G350A319-R348 PolarHBondContact O-NE 3.32Å; A319-R348 PolarHBondContact O-NH2 2.88Å; G321-R348 VanDerWaalsContact N-NH2 3.19Å; I322-R348 VanDerWaalsContact C-NH1 3.3Å; I322-R348 PolarHBondContact O-NH1 3.32Å; V327-R348 HydrophobicContact CG1-CB 4.49Å; V330-R348 HydrophobicContact CG2-CB 3.96Å; R345-R348 WeakPolarHBondContact O-CG 3.37Å; I346-R348 PolarHBondContact O-N 2.72Å; R348-G350 PolarHBondContact O-N 3.42Å
349G55.8Low74.9Confident2 Ų235.8 Ų35.82%0.02117%0.172CC..THydrogen-bonded Turntrans-76-17.3-172.700000116.3V327 I346 K355 G356V327-G349 WeakPolarHBondContact O-CA 3.34Å; I346-G349 PolarHBondContact O-N 2.94Å; G349-K355 CarbonylContact O-C 3.54Å; G349-G356 WeakPolarHBondContact O-CA 3.43Å; G349-G356 PolarHBondContact O-N 2.78Å
350G52.8Low75.4Confident16 Ų1631.3 Ų31.317%0.16516%0.155CC..THydrogen-bonded Turntrans-116.316.4-166.200000116.6R348 F352 G353 R354R348-G350 PolarHBondContact O-N 3.42Å; G350-F352 PolarHBondContact O-N 3.42Å; G350-G353 PolarHBondContact O-N 3.23Å; G350-R354 VanDerWaalsContact CA-O 3.3Å; G350-R354 WeakPolarHBondContact CA-O 3.3Å
351R58Low76.1Confident25 Ų2529.2 Ų29.29%0.09415%0.146CC..G310 helixtrans-65.2135.7-169.1-69.5-173.4168.5-151.9-7.3112.3D323 G353 R354D323-R351 VanDerWaalsContact CB-NH1 3.26Å; D323-R351 VanDerWaalsContact CG-NH1 3.25Å; D323-R351 IonicContact OD1-CZ 3.89Å; D323-R351 IonicContact OD1-NH1 2.95Å; D323-R351 PolarHBondContact OD1-NH1 3.24Å; R351-G353 VanDerWaalsContact C-N 3.31Å; R351-G353 PolarHBondContact O-N 3.48Å; R351-R354 WeakPolarHBondContact O-CB 3.23Å; R351-R354 WeakPolarHBondContact O-CG 3.29Å; R351-R354 PolarHBondContact O-N 2.89Å
352F53.8Low76.7Confident144 Ų14429.1 Ų29.163%0.63215%0.145SC*.G310 helixtrans57.633.9-178.6-61.5-80000115G350 R354G350-F352 PolarHBondContact O-N 3.42Å; F352-R354 VanDerWaalsContact C-N 3.29Å; F352-R354 PolarHBondContact O-N 3.05Å
353G56.6Low77Confident54 Ų5429.6 Ų29.656%0.55715%0.148SC*.G310 helixtrans77.812.6178.200000114.1G350 R351G350-G353 PolarHBondContact O-N 3.23Å; R351-G353 VanDerWaalsContact C-N 3.31Å; R351-G353 PolarHBondContact O-N 3.48Å
354R65Low77.5Confident140 Ų14035.5 Ų35.553%0.52818%0.175SC..  trans-65.8145.2167.1-69.8-177.9178-178.4-1.2109.3Q325 G350 R351 F352Q325-R354 PolarHBondContact O-NH1 3.06Å; G350-R354 VanDerWaalsContact CA-O 3.3Å; G350-R354 WeakPolarHBondContact CA-O 3.3Å; R351-R354 WeakPolarHBondContact O-CB 3.23Å; R351-R354 WeakPolarHBondContact O-CG 3.29Å; R351-R354 PolarHBondContact O-N 2.89Å; F352-R354 VanDerWaalsContact C-N 3.29Å; F352-R354 PolarHBondContact O-N 3.05Å
355K72.6Confident78.2Confident190 Ų19040.5 Ų40.583%0.82621%0.21SC*.  trans-73.1132.6169-64.3-174.9-179.9-177.40108.1G231 G349G231-K355 WeakPolarHBondContact O-CA 3.3Å; G349-K355 CarbonylContact O-C 3.54Å
356G80.8Confident78.6Confident3 Ų342.4 Ų42.43%0.03122%0.219CC..EExtended strand (participates in β ladder)trans-126.4162.1171.300000110.7G231 I232 K233 S328 G349G231-G356 PolarHBondContact O-N 3.02Å; I232-G356 CarbonylContact C-O 3.55Å; I232-G356 VanDerWaalsContact CA-O 3.3Å; I232-G356 WeakPolarHBondContact CA-O 3.46Å; K233-G356 PolarHBondContact N-O 2.66Å; S328-G356 WeakPolarHBondContact O-CA 3.39Å; G349-G356 WeakPolarHBondContact O-CA 3.43Å; G349-G356 PolarHBondContact O-N 2.78Å
357T87.1Confident79Confident2 Ų245.6 Ų45.61%0.01224%0.238CC..EExtended strand (participates in β ladder)trans-125140.6173.1-68.70000109.3K233 F235 S328 L329 V330 I359 F391 L392K233-T357 CarbonylContact O-C 3.15Å; K233-T357 WeakPolarHBondContact O-CA 3.38Å; F235-T357 HydrophobicContact CD2-CG2 3.71Å; F235-T357 HydrophobicContact CE2-CG2 3.86Å; S328-T357 PolarHBondContact O-N 2.94Å; L329-T357 WeakPolarHBondContact CA-O 3.34Å; L329-T357 HydrophobicContact CD1-CG2 3.66Å; L329-T357 WeakPolarHBondContact CD1-O 3.22Å; V330-T357 PolarHBondContact N-O 3.39Å; T357-I359 HydrophobicContact CG2-CD1 4.43Å; T357-I359 HydrophobicContact CG2-CG1 4.09Å; T357-F391 PolarHBondContact OG1-O 2.9Å; T357-L392 HydrophobicContact CG2-CD2 4.29Å
358A90.2Very high80Confident0 Ų053.5 Ų53.50%028%0.275CS..EExtended strand (participates in β ladder)trans-124.3124.7173.800000108.7I232 K233 Q234 F235 V330 I346I232-A358 HydrophobicContact CG2-CB 3.92Å; K233-A358 PolarHBondContact O-N 3.34Å; Q234-A358 WeakPolarHBondContact CA-O 3.24Å; Q234-A358 HydrophobicContact CG-CB 4.36Å; F235-A358 PolarHBondContact N-O 3.03Å; V330-A358 CarbonylContact O-C 3.48Å; V330-A358 VanDerWaalsContact O-CA 3.28Å; V330-A358 WeakPolarHBondContact O-CA 3.49Å; I346-A358 HydrophobicContact CB-CB 3.86Å; I346-A358 HydrophobicContact CG2-CB 3.53Å
359I93.6Very high81.3Confident0 Ų055.2 Ų55.20%029%0.292CS..EExtended strand (participates in β ladder)trans-115.7126.3178.6-63.6171.9000108.7F235 I237 L252 L329 V330 V331 N332 T357 F361 M384 I388F235-I359 HydrophobicContact CB-CG1 4.36Å; F235-I359 WeakPolarHBondContact O-CA 3.25Å; I237-I359 HydrophobicContact CD1-CG2 3.98Å; I237-I359 HydrophobicContact CG1-CG2 3.96Å; L252-I359 HydrophobicContact CD1-CD1 3.71Å; L252-I359 HydrophobicContact CD2-CD1 3.83Å; L252-I359 HydrophobicContact CD2-CG2 4.47Å; L252-I359 HydrophobicContact CG-CD1 4.4Å; L329-I359 HydrophobicContact CD1-CD1 3.72Å; L329-I359 HydrophobicContact CD1-CG1 3.86Å; L329-I359 HydrophobicContact CD2-CD1 4.25Å; V330-I359 PolarHBondContact O-N 3.42Å; V331-I359 CarbonylContact C-O 3.53Å; V331-I359 WeakPolarHBondContact CA-O 3.48Å; N332-I359 PolarHBondContact N-O 3.36Å; T357-I359 HydrophobicContact CG2-CD1 4.43Å; T357-I359 HydrophobicContact CG2-CG1 4.09Å; I359-F361 HydrophobicContact CG2-CD1 4.06Å; I359-F361 HydrophobicContact CG2-CE1 3.79Å; I359-M384 HydrophobicContact CD1-SD 4.1Å; I359-I388 HydrophobicContact CD1-CG1 4.31Å
360N95.9Very high83.1Confident0 Ų055.4 Ų55.40%029%0.292CS..EExtended strand (participates in β ladder)trans-105.3120.5180-60.7-72.8000110.4F235 Y236 I237 N332 L335 Y342 I362 L370F235-N360 PolarHBondContact O-N 3.28Å; F235-N360 PolarHBondContact O-ND2 3.07Å; Y236-N360 CarbonylContact C-O 3.57Å; Y236-N360 WeakPolarHBondContact CA-O 3.49Å; I237-N360 PolarHBondContact N-O 2.99Å; N332-N360 WeakPolarHBondContact CB-OD1 3.44Å; N332-N360 PolarHBondContact ND2-OD1 3.09Å; L335-N360 HydrophobicContact CD2-CB 4.04Å; Y342-N360 WeakPolarHBondContact CE2-OD1 3.36Å; Y342-N360 PolarHBondContact OH-ND2 3.06Å; N360-I362 HydrophobicContact CB-CG2 4.44Å; N360-L370 HydrophobicContact CB-CD1 4.41Å
361F97.3Very high85Confident0 Ų057.9 Ų57.90%031%0.307CS..EExtended strand (participates in β ladder)trans-85123.1169.1-68.4-1.9000109I237 V239 K245 T248 L249 L252 V331 N332 Y333 I359I237-F361 HydrophobicContact CB-CD1 4.14Å; I237-F361 HydrophobicContact CB-CE1 4.39Å; I237-F361 HydrophobicContact CD1-CD1 4.25Å; I237-F361 HydrophobicContact CD1-CE1 3.66Å; I237-F361 HydrophobicContact CG1-CD1 4.43Å; I237-F361 HydrophobicContact CG1-CE1 4.3Å; V239-F361 HydrophobicContact CG1-CG 4.47Å; K245-F361 HydrophobicContact CB-CD2 4Å; K245-F361 HydrophobicContact CD-CB 4.06Å; K245-F361 HydrophobicContact CD-CD2 4.48Å; K245-F361 HydrophobicContact CG-CB 4.19Å; K245-F361 HydrophobicContact CG-CD2 4.17Å; K245-F361 WeakPolarHBondContact O-CE2 3.36Å; T248-F361 HydrophobicContact CG2-CE1 3.96Å; T248-F361 HydrophobicContact CG2-CE2 4.27Å; T248-F361 HydrophobicContact CG2-CZ 3.76Å; L249-F361 HydrophobicContact CB-CE2 3.88Å; L249-F361 HydrophobicContact CB-CZ 4.32Å; L249-F361 HydrophobicContact CD1-CE2 4.17Å; L249-F361 HydrophobicContact CD1-CZ 4.26Å; L252-F361 HydrophobicContact CD2-CE1 4.33Å; L252-F361 HydrophobicContact CD2-CZ 4.24Å; V331-F361 HydrophobicContact CG1-CE1 4.18Å; V331-F361 HydrophobicContact CG1-CE2 4.32Å; V331-F361 HydrophobicContact CG1-CZ 4.1Å; N332-F361 PolarHBondContact O-N 3.03Å; Y333-F361 HydrophobicContact CD2-CD2 4.09Å; Y333-F361 HydrophobicContact CD2-CE2 4.27Å; Y333-F361 HydrophobicContact CE2-CD2 4.5Å; I359-F361 HydrophobicContact CG2-CD1 4.06Å; I359-F361 HydrophobicContact CG2-CE1 3.79Å
362I96.8Very high86.6Confident2 Ų259.2 Ų59.21%0.0132%0.316CS..EExtended strand (participates in β ladder)trans-123.4148.7178.570.6173.4000110.1Y236 I237 N238 V239 L335 N360 E366 V367 L370Y236-I362 HydrophobicContact CD2-CD1 3.53Å; Y236-I362 HydrophobicContact CD2-CG1 4.08Å; Y236-I362 HydrophobicContact CE2-CD1 4.04Å; Y236-I362 HydrophobicContact CG-CD1 4.11Å; I237-I362 PolarHBondContact O-N 2.98Å; N238-I362 CarbonylContact C-O 3.6Å; N238-I362 WeakPolarHBondContact CA-O 3.42Å; N238-I362 HydrophobicContact CB-CD1 4.23Å; N238-I362 HydrophobicContact CB-CG1 3.96Å; N238-I362 PolarHBondContact OD1-O 3.06Å; V239-I362 WeakPolarHBondContact CG2-O 2.91Å; V239-I362 PolarHBondContact N-O 3.25Å; L335-I362 HydrophobicContact CD1-CG2 3.91Å; L335-I362 HydrophobicContact CD2-CG2 4.16Å; L335-I362 HydrophobicContact CG-CG2 4.07Å; N360-I362 HydrophobicContact CB-CG2 4.44Å; I362-E366 HydrophobicContact CB-CB 4.15Å; I362-V367 HydrophobicContact CD1-CG2 4.22Å; I362-L370 HydrophobicContact CD1-CD2 3.93Å; I362-L370 HydrophobicContact CG2-CB 4.45Å; I362-L370 HydrophobicContact CG2-CD1 4.45Å; I362-L370 HydrophobicContact CG2-CD2 4.27Å
363T95.4Very high88.4Confident11 Ų1152.7 Ų52.77%0.06729%0.288CS..EExtended strand (participates in β ladder)trans-98.6170.9166.157.60000110.5V239 S365 E366V239-T363 HydrophobicContact CG2-CG2 4.18Å; T363-S365 PolarHBondContact O-N 3.12Å; T363-S365 PolarHBondContact OG1-OG 3.38Å; T363-S365 VanDerWaalsContact OG1-OG 3.06Å; T363-E366 WeakPolarHBondContact CB-OE2 3.45Å; T363-E366 PolarHBondContact N-OE2 2.65Å; T363-E366 PolarHBondContact O-N 2.74Å; T363-E366 WeakPolarHBondContact OG1-CG 3.41Å; T363-E366 PolarHBondContact OG1-OE2 3.16Å
364E92Very high90Very high140 Ų14052.6 Ų52.665%0.65427%0.273SS*.G310 helixtrans-55.8-35176.7-69.2179.8179.600112.6S240 E366 V367S240-E364 PolarHBondContact O-N 3.41Å; E364-E366 VanDerWaalsContact C-N 3.27Å; E364-E366 PolarHBondContact O-N 3.19Å; E364-V367 WeakPolarHBondContact O-CG2 3.18Å
365S92.3Very high91.2Very high106 Ų10653.3 Ų53.374%0.74128%0.282SS*.G310 helixtrans-74.5-14.1177.748.60000114.4T363T363-S365 PolarHBondContact O-N 3.12Å; T363-S365 PolarHBondContact OG1-OG 3.38Å; T363-S365 VanDerWaalsContact OG1-OG 3.06Å
366E93.7Very high91.8Very high39 Ų3949.5 Ų49.518%0.18226%0.263CS..G310 helixtrans-100.5-1-175.2-73.2172.1131.800113.2K245 L335 I362 T363 E364 E368 A369 L370K245-E366 IonicContact NZ-OE1 3.36Å; K245-E366 IonicContact NZ-OE2 3.73Å; L335-E366 HydrophobicContact CD1-CB 3.99Å; I362-E366 HydrophobicContact CB-CB 4.15Å; T363-E366 WeakPolarHBondContact CB-OE2 3.45Å; T363-E366 PolarHBondContact N-OE2 2.65Å; T363-E366 PolarHBondContact O-N 2.74Å; T363-E366 WeakPolarHBondContact OG1-CG 3.41Å; T363-E366 PolarHBondContact OG1-OE2 3.16Å; E364-E366 VanDerWaalsContact C-N 3.27Å; E364-E366 PolarHBondContact O-N 3.19Å; E366-E368 VanDerWaalsContact C-N 3.34Å; E366-E368 PolarHBondContact O-N 3.12Å; E366-A369 WeakPolarHBondContact O-CB 3.47Å; E366-A369 PolarHBondContact O-N 3.15Å; E366-A369 VanDerWaalsContact O-N 3.16Å; E366-L370 PolarHBondContact O-N 3.28Å
367V92.7Very high92Very high70 Ų7049.7 Ų49.742%0.42426%0.263SS..Hα-helixtrans-59.2-43.2179.4176.90000111.6I362 E364 A369 L370 S371I362-V367 HydrophobicContact CD1-CG2 4.22Å; E364-V367 WeakPolarHBondContact O-CG2 3.18Å; V367-A369 VanDerWaalsContact C-N 3.35Å; V367-A369 PolarHBondContact O-N 3.11Å; V367-L370 PolarHBondContact O-N 3.18Å; V367-S371 PolarHBondContact O-N 2.94Å
368E92.7Very high91.9Very high169 Ų16955.2 Ų55.279%0.7929%0.293SS*.Hα-helixtrans-64.9-39.2176.9-67.4-174.9176.500111.9E366 L370 S371 D372E366-E368 VanDerWaalsContact C-N 3.34Å; E366-E368 PolarHBondContact O-N 3.12Å; E368-L370 VanDerWaalsContact C-N 3.35Å; E368-L370 PolarHBondContact O-N 3.16Å; E368-S371 PolarHBondContact O-N 3.28Å; E368-D372 WeakPolarHBondContact O-CB 3.37Å; E368-D372 PolarHBondContact O-N 3.46Å
369A93Very high91.7Very high47 Ų4756.3 Ų56.339%0.38830%0.299SS..Hα-helixtrans-65.7-37.417800000111.9L335 E366 V367 L373L335-A369 HydrophobicContact CD1-CB 4.11Å; E366-A369 WeakPolarHBondContact O-CB 3.47Å; E366-A369 PolarHBondContact O-N 3.15Å; E366-A369 VanDerWaalsContact O-N 3.16Å; V367-A369 VanDerWaalsContact C-N 3.35Å; V367-A369 PolarHBondContact O-N 3.11Å; A369-L373 WeakPolarHBondContact O-CG 3.4Å; A369-L373 PolarHBondContact O-N 3.39Å; A369-L373 VanDerWaalsContact O-N 3.14Å
370L93.8Very high91.4Very high5 Ų562.8 Ų62.83%0.02633%0.33CS..Hα-helixtrans-66.5-43.3173.8-172.471.6000111.8Y236 L335 N360 I362 E366 V367 E368 D372 L373 Q374 I381Y236-L370 HydrophobicContact CD1-CD2 3.57Å; Y236-L370 HydrophobicContact CD2-CD2 4.38Å; Y236-L370 HydrophobicContact CE1-CD2 4.28Å; Y236-L370 HydrophobicContact CG-CD2 3.62Å; L335-L370 HydrophobicContact CD1-CB 4.37Å; L335-L370 HydrophobicContact CD2-CD1 4.17Å; N360-L370 HydrophobicContact CB-CD1 4.41Å; I362-L370 HydrophobicContact CD1-CD2 3.93Å; I362-L370 HydrophobicContact CG2-CB 4.45Å; I362-L370 HydrophobicContact CG2-CD1 4.45Å; I362-L370 HydrophobicContact CG2-CD2 4.27Å; E366-L370 PolarHBondContact O-N 3.28Å; V367-L370 PolarHBondContact O-N 3.18Å; E368-L370 VanDerWaalsContact C-N 3.35Å; E368-L370 PolarHBondContact O-N 3.16Å; L370-D372 VanDerWaalsContact C-N 3.31Å; L370-D372 PolarHBondContact O-N 3.42Å; L370-L373 WeakPolarHBondContact O-CB 3.21Å; L370-L373 PolarHBondContact O-N 3.13Å; L370-L373 VanDerWaalsContact O-N 3.16Å; L370-Q374 PolarHBondContact O-N 2.99Å; L370-I381 HydrophobicContact CD1-CD1 3.57Å; L370-I381 HydrophobicContact CD1-CG2 4.25Å; L370-I381 HydrophobicContact CD2-CG2 4.44Å; L370-I381 HydrophobicContact CG-CD1 4.31Å
371S92.8Very high91.3Very high69 Ų6963 Ų6348%0.48333%0.331SS..Hα-helixtrans-61.2-40.6177.3-171.80000111.8V367 E368 L373 Q374 Q375V367-S371 PolarHBondContact O-N 2.94Å; E368-S371 PolarHBondContact O-N 3.28Å; S371-L373 PolarHBondContact O-N 2.89Å; S371-Q374 WeakPolarHBondContact O-CB 3.22Å; S371-Q374 PolarHBondContact O-N 3.14Å; S371-Q375 PolarHBondContact O-N 3.5Å
372D91.7Very high91.1Very high53 Ų5366.8 Ų66.828%0.28335%0.351SS..Hα-helixtrans-62.6-38.9174.4-177.250.4000112.4R339 E368 L370 Y376R339-D372 VanDerWaalsContact CZ-CG 3.46Å; R339-D372 IonicContact CZ-OD1 2.67Å; R339-D372 IonicContact CZ-OD2 2.67Å; R339-D372 IonicContact NE-OD1 3.05Å; R339-D372 IonicContact NE-OD2 2.93Å; R339-D372 PolarHBondContact NE-OD2 3.06Å; R339-D372 IonicContact NH1-OD1 3.47Å; R339-D372 IonicContact NH2-OD1 3.55Å; R339-D372 PolarHBondContact NH2-OD1 2.96Å; R339-D372 IonicContact NH2-OD2 3.46Å; R339-D372 PolarHBondContact NH2-OD2 3.46Å; E368-D372 WeakPolarHBondContact O-CB 3.37Å; E368-D372 PolarHBondContact O-N 3.46Å; L370-D372 VanDerWaalsContact C-N 3.31Å; L370-D372 PolarHBondContact O-N 3.42Å; D372-Y376 VanDerWaalsContact O-CB 3.22Å; D372-Y376 WeakPolarHBondContact O-CB 3.5Å; D372-Y376 PolarHBondContact O-N 3.13Å
373L90.2Very high90.9Very high7 Ų772.7 Ų72.74%0.03738%0.378CS..Hα-helixtrans-63.2-46.1173-72.2172.2000111.9L335 P336 R339 Y342 A369 L370 S371 Q375 Y376 F377L335-L373 HydrophobicContact CD2-CD1 4.22Å; P336-L373 HydrophobicContact CG-CD1 4.48Å; R339-L373 HydrophobicContact CB-CD2 4.02Å; R339-L373 HydrophobicContact CG-CD2 4.09Å; Y342-L373 HydrophobicContact CD2-CD1 4.05Å; Y342-L373 HydrophobicContact CE2-CD1 4.49Å; Y342-L373 HydrophobicContact CG-CD1 4.29Å; Y342-L373 HydrophobicContact CG-CD2 4.23Å; A369-L373 WeakPolarHBondContact O-CG 3.4Å; A369-L373 PolarHBondContact O-N 3.39Å; A369-L373 VanDerWaalsContact O-N 3.14Å; L370-L373 WeakPolarHBondContact O-CB 3.21Å; L370-L373 PolarHBondContact O-N 3.13Å; L370-L373 VanDerWaalsContact O-N 3.16Å; S371-L373 PolarHBondContact O-N 2.89Å; L373-Q375 PolarHBondContact O-N 3.11Å; L373-Y376 PolarHBondContact O-N 3.04Å; L373-F377 HydrophobicContact CD2-CE2 4.1Å; L373-F377 WeakPolarHBondContact O-CD2 3.31Å; L373-F377 PolarHBondContact O-N 3.05Å; L373-F377 VanDerWaalsContact O-N 3.1Å
374Q90.5Very high90.7Very high52 Ų5274.2 Ų74.224%0.24339%0.385CS..Hα-helixtrans-58.5-47.1177.1-78-178-130.600111.7L370 S371 N378 T379 I381L370-Q374 PolarHBondContact O-N 2.99Å; S371-Q374 WeakPolarHBondContact O-CB 3.22Å; S371-Q374 PolarHBondContact O-N 3.14Å; Q374-N378 VanDerWaalsContact O-CA 3.29Å; Q374-N378 WeakPolarHBondContact O-CA 3.21Å; Q374-N378 PolarHBondContact O-N 3.03Å; Q374-T379 WeakPolarHBondContact CB-O 3.46Å; Q374-T379 WeakPolarHBondContact CG-O 3.43Å; Q374-T379 PolarHBondContact O-N 3.25Å; Q374-I381 HydrophobicContact CG-CB 3.94Å; Q374-I381 HydrophobicContact CG-CD1 3.76Å; Q374-I381 HydrophobicContact CG-CG1 3.67Å; Q374-I381 PolarHBondContact OE1-O 3.37Å
375Q89.8Confident90.6Very high155 Ų15569.4 Ų69.472%0.72437%0.366SS*.Hα-helixtrans-65.9-43.5179.3-173.6179.810.900111.8S371 L373 N378S371-Q375 PolarHBondContact O-N 3.5Å; L373-Q375 PolarHBondContact O-N 3.11Å; Q375-N378 PolarHBondContact O-N 2.94Å
376Y86.7Confident90Very high109 Ų10972.5 Ų72.543%0.42737%0.374SS..Hα-helixtrans-65.6-40.7-176.5-175.9-103.2000113R339 E340 D372 L373R339-Y376 HydrophobicContact CB-CD1 3.81Å; R339-Y376 HydrophobicContact CB-CE1 3.94Å; R339-Y376 HydrophobicContact CB-CG 4.37Å; R339-Y376 HydrophobicContact CG-CD1 4.44Å; E340-Y376 PolarHBondContact OE1-OH 3.33Å; D372-Y376 VanDerWaalsContact O-CB 3.22Å; D372-Y376 WeakPolarHBondContact O-CB 3.5Å; D372-Y376 PolarHBondContact O-N 3.13Å; L373-Y376 PolarHBondContact O-N 3.04Å
377F84Confident89.4Confident8 Ų875 Ų754%0.03539%0.389CS..Hα-helixtrans-93.7-0.4178.9-67.6-64.8000113.8T228 R339 Y342 I343 L373 T379T228-F377 WeakPolarHBondContact CG2-O 3.4Å; R339-F377 HydrophobicContact CB-CE2 4.15Å; R339-F377 HydrophobicContact CB-CZ 4.3Å; R339-F377 WeakPolarHBondContact O-CE2 3.49Å; R339-F377 WeakPolarHBondContact O-CZ 3.4Å; Y342-F377 HydrophobicContact CD1-CD2 4.02Å; Y342-F377 HydrophobicContact CD1-CE2 4.05Å; I343-F377 HydrophobicContact CG1-CE1 4.42Å; I343-F377 HydrophobicContact CG1-CZ 4.44Å; I343-F377 HydrophobicContact CG2-CD1 3.65Å; I343-F377 HydrophobicContact CG2-CD2 4.29Å; I343-F377 HydrophobicContact CG2-CE1 3.36Å; I343-F377 HydrophobicContact CG2-CE2 4.04Å; I343-F377 HydrophobicContact CG2-CG 4.12Å; I343-F377 HydrophobicContact CG2-CZ 3.58Å; L373-F377 HydrophobicContact CD2-CE2 4.1Å; L373-F377 WeakPolarHBondContact O-CD2 3.31Å; L373-F377 PolarHBondContact O-N 3.05Å; L373-F377 VanDerWaalsContact O-N 3.1Å; F377-T379 VanDerWaalsContact C-N 3.27Å; F377-T379 HydrophobicContact CB-CG2 4.08Å; F377-T379 PolarHBondContact O-N 3.47Å
378N84.9Confident88.8Confident118 Ų11871.7 Ų71.763%0.63137%0.369SS*.THydrogen-bonded Turntrans50.947-174.2-168.443.1000112.4Q374 Q375Q374-N378 VanDerWaalsContact O-CA 3.29Å; Q374-N378 WeakPolarHBondContact O-CA 3.21Å; Q374-N378 PolarHBondContact O-N 3.03Å; Q375-N378 PolarHBondContact O-N 2.94Å
379T85.3Confident88.1Confident23 Ų2367.4 Ų67.414%0.14135%0.354CS..  trans-121.2154.1-177.3-169.10000111.6Q234 Q374 F377 I381Q234-T379 PolarHBondContact NE2-OG1 3.32Å; Q374-T379 WeakPolarHBondContact CB-O 3.46Å; Q374-T379 WeakPolarHBondContact CG-O 3.43Å; Q374-T379 PolarHBondContact O-N 3.25Å; F377-T379 VanDerWaalsContact C-N 3.27Å; F377-T379 HydrophobicContact CB-CG2 4.08Å; F377-T379 PolarHBondContact O-N 3.47Å; T379-I381 HydrophobicContact CG2-CG1 4.22Å
380E88.3Confident87.2Confident136 Ų13671.6 Ų71.664%0.63637%0.37SS*.  trans-94127.2170-163.9173.7-155.100109.7L382E380-L382 VanDerWaalsContact CD-CD2 3.46Å; E380-L382 HydrophobicContact CG-CD2 3.64Å; E380-L382 HydrophobicContact CG-CG 3.99Å; E380-L382 VanDerWaalsContact OE1-CD2 3.27Å; E380-L382 WeakPolarHBondContact OE1-CD2 3.19Å
381I92.8Very high86.2Confident5 Ų575.1 Ų75.13%0.02639%0.385CS..  trans-117107.7169.2-54.3173.3000105.8Q234 Y236 Y342 L370 Q374 T379Q234-I381 HydrophobicContact CB-CB 4.38Å; Q234-I381 HydrophobicContact CB-CG1 3.99Å; Q234-I381 HydrophobicContact CB-CG2 4.21Å; Y236-I381 HydrophobicContact CD1-CG2 4.15Å; Y342-I381 HydrophobicContact CE1-CD1 4.3Å; Y342-I381 WeakPolarHBondContact OH-CD1 3.37Å; L370-I381 HydrophobicContact CD1-CD1 3.57Å; L370-I381 HydrophobicContact CD1-CG2 4.25Å; L370-I381 HydrophobicContact CD2-CG2 4.44Å; L370-I381 HydrophobicContact CG-CD1 4.31Å; Q374-I381 HydrophobicContact CG-CB 3.94Å; Q374-I381 HydrophobicContact CG-CD1 3.76Å; Q374-I381 HydrophobicContact CG-CG1 3.67Å; Q374-I381 PolarHBondContact OE1-O 3.37Å; T379-I381 HydrophobicContact CG2-CG1 4.22Å
382L93.1Very high85.1Confident79 Ų7974.9 Ų74.941%0.41438%0.378SS..EExtended strand (participates in β ladder)trans-84.8154.6-173.3-66.9174.4000111Q234 F235 Y236 E380 M384Q234-L382 PolarHBondContact O-N 3.39Å; F235-L382 CarbonylContact C-O 3.54Å; F235-L382 WeakPolarHBondContact CA-O 3.33Å; F235-L382 HydrophobicContact CD1-CB 4.01Å; F235-L382 HydrophobicContact CE1-CB 4.28Å; Y236-L382 VanDerWaalsContact CD1-O 3.29Å; Y236-L382 WeakPolarHBondContact CD1-O 3.41Å; Y236-L382 PolarHBondContact N-O 3.01Å; E380-L382 VanDerWaalsContact CD-CD2 3.46Å; E380-L382 HydrophobicContact CG-CD2 3.64Å; E380-L382 HydrophobicContact CG-CG 3.99Å; E380-L382 VanDerWaalsContact OE1-CD2 3.27Å; E380-L382 WeakPolarHBondContact OE1-CD2 3.19Å; L382-M384 PolarHBondContact O-N 3.23Å
383E93.8Very high84.8Confident125 Ų12576 Ų7658%0.58438%0.383SS*.EExtended strand (participates in β ladder)trans-61.6137164.9-165.6161-172.600109Y236 P385Y236-E383 HydrophobicContact CE1-CB 3.95Å; Y236-E383 VanDerWaalsContact CE1-N 3.31Å; Y236-E383 HydrophobicContact CE2-CB 4.1Å; Y236-E383 HydrophobicContact CE2-CG 3.88Å; Y236-E383 PolarHBondContact OH-OE2 3.14Å; E383-P385 WeakPolarHBondContact O-CD 3.44Å
384M91.4Very high84.5Confident44 Ų4479.6 Ų79.622%0.21740%0.401CS..PPolyproline II helixtrans-62.1121.5-178.4-169.4-174.473.800109.5F235 Y236 I237 L252 I359 L382 I388F235-M384 HydrophobicContact CB-CB 4.15Å; F235-M384 HydrophobicContact CB-CG 4.41Å; Y236-M384 WeakPolarHBondContact O-CB 3.32Å; Y236-M384 PolarHBondContact O-N 3.02Å; I237-M384 HydrophobicContact CD1-CE 3.52Å; I237-M384 HydrophobicContact CD1-SD 3.47Å; I237-M384 WeakPolarHBondContact CD1-SD 3.29Å; I237-M384 HydrophobicContact CG1-CB 3.82Å; I237-M384 HydrophobicContact CG1-CE 3.98Å; I237-M384 HydrophobicContact CG1-CG 4.41Å; I237-M384 HydrophobicContact CG1-SD 3.79Å; L252-M384 HydrophobicContact CD1-SD 4.17Å; I359-M384 HydrophobicContact CD1-SD 4.1Å; L382-M384 PolarHBondContact O-N 3.23Å; M384-I388 HydrophobicContact CG-CB 4.05Å; M384-I388 HydrophobicContact CG-CD1 3.73Å; M384-I388 HydrophobicContact CG-CG1 3.87Å; M384-I388 HydrophobicContact SD-CB 4.11Å; M384-I388 HydrophobicContact SD-CD1 4.34Å; M384-I388 HydrophobicContact SD-CG1 3.88Å; M384-I388 HydrophobicContact SD-CG2 4.3Å
385P88.4Confident84.2Confident38 Ų3881.2 Ų81.225%0.24741%0.41CS..PPolyproline II helixtrans-75.4157.5177.135.7-38.4000110.5F235 E383 D387 I388 F391F235-P385 HydrophobicContact CE1-CG 4.23Å; E383-P385 WeakPolarHBondContact O-CD 3.44Å; P385-D387 VanDerWaalsContact CB-OD1 3.27Å; P385-D387 WeakPolarHBondContact CB-OD1 3.34Å; P385-D387 PolarHBondContact O-N 3.46Å; P385-I388 PolarHBondContact O-N 3.36Å; P385-F391 HydrophobicContact CG-CD2 4.38Å; P385-F391 HydrophobicContact CG-CE2 3.9Å
386D81.5Confident83.9Confident171 Ų17176.8 Ų76.891%0.91439%0.391SS*.THydrogen-bonded Turntrans-60.5-27.6179-67.4-31.8000112.5I388D386-I388 PolarHBondContact O-N 2.97Å
387D80Confident83.7Confident93 Ų9374.8 Ų74.850%0.49739%0.389SS..THydrogen-bonded Turntrans-94.838.3-179.863.8-13.6000113.4P385 V389 D390P385-D387 VanDerWaalsContact CB-OD1 3.27Å; P385-D387 WeakPolarHBondContact CB-OD1 3.34Å; P385-D387 PolarHBondContact O-N 3.46Å; D387-V389 PolarHBondContact O-N 2.99Å; D387-D390 PolarHBondContact O-N 3.16Å
388I81Confident83.7Confident0 Ų079.3 Ų79.30%041%0.413CS..G310 helixtrans-54.6-23-178.9-165.258.7000114.3F235 I255 I359 M384 P385 D386 D390 F391 L392F235-I388 HydrophobicContact CD2-CD1 3.61Å; F235-I388 HydrophobicContact CE2-CD1 3.56Å; F235-I388 HydrophobicContact CG-CD1 4.14Å; F235-I388 HydrophobicContact CZ-CD1 4.05Å; I255-I388 HydrophobicContact CG2-CG2 4.01Å; I359-I388 HydrophobicContact CD1-CG1 4.31Å; M384-I388 HydrophobicContact CG-CB 4.05Å; M384-I388 HydrophobicContact CG-CD1 3.73Å; M384-I388 HydrophobicContact CG-CG1 3.87Å; M384-I388 HydrophobicContact SD-CB 4.11Å; M384-I388 HydrophobicContact SD-CD1 4.34Å; M384-I388 HydrophobicContact SD-CG1 3.88Å; M384-I388 HydrophobicContact SD-CG2 4.3Å; P385-I388 PolarHBondContact O-N 3.36Å; D386-I388 PolarHBondContact O-N 2.97Å; I388-D390 PolarHBondContact O-N 3.28Å; I388-D390 VanDerWaalsContact O-N 3.15Å; I388-F391 HydrophobicContact CD1-CB 4.17Å; I388-F391 HydrophobicContact CD1-CD2 4.24Å; I388-F391 WeakPolarHBondContact O-CB 3.34Å; I388-F391 PolarHBondContact O-N 3.35Å; I388-L392 HydrophobicContact CG1-CD1 4.41Å; I388-L392 HydrophobicContact CG1-CG 4.31Å; I388-L392 HydrophobicContact CG2-CD1 4.21Å; I388-L392 WeakPolarHBondContact O-CG 3.47Å
389V77.1Confident83.6Confident79 Ų7976.5 Ų76.548%0.47940%0.397SS..G310 helixtrans-53.2-35.1-179.8-179.40000112.5I255 D387 F391 L392I255-V389 HydrophobicContact CG2-CG2 3.39Å; D387-V389 PolarHBondContact O-N 2.99Å; V389-F391 PolarHBondContact O-N 3.31Å; V389-L392 PolarHBondContact O-N 3.25Å
390D74.6Confident83.5Confident134 Ų13480.6 Ų80.672%0.71742%0.417SS*.G310 helixtrans-70.9-14.4-179.2-73.8-11.6000113.3D387 I388D387-D390 PolarHBondContact O-N 3.16Å; I388-D390 PolarHBondContact O-N 3.28Å; I388-D390 VanDerWaalsContact O-N 3.15Å
391F73.3Confident83.1Confident80 Ų8076 Ų7635%0.35140%0.398SS..G310 helixtrans-102.3-5.9-179.9-59.3-85.2000113.6K233 F235 T357 P385 I388 V389K233-F391 HydrophobicContact CG-CD1 4.17Å; F235-F391 HydrophobicContact CE2-CB 4.01Å; F235-F391 HydrophobicContact CE2-CD1 4.28Å; F235-F391 HydrophobicContact CE2-CG 4.03Å; F235-F391 HydrophobicContact CZ-CB 4.24Å; F235-F391 AromaticContact CZ-CD1 3.78Å; F235-F391 HydrophobicContact CZ-CD1 3.78Å; F235-F391 HydrophobicContact CZ-CD2 4.01Å; F235-F391 HydrophobicContact CZ-CE1 4.06Å; F235-F391 HydrophobicContact CZ-CE2 4.28Å; F235-F391 AromaticContact CZ-CG 3.74Å; F235-F391 HydrophobicContact CZ-CG 3.74Å; F235-F391 HydrophobicContact CZ-CZ 4.3Å; T357-F391 PolarHBondContact OG1-O 2.9Å; P385-F391 HydrophobicContact CG-CD2 4.38Å; P385-F391 HydrophobicContact CG-CE2 3.9Å; I388-F391 HydrophobicContact CD1-CB 4.17Å; I388-F391 HydrophobicContact CD1-CD2 4.24Å; I388-F391 WeakPolarHBondContact O-CB 3.34Å; I388-F391 PolarHBondContact O-N 3.35Å; V389-F391 PolarHBondContact O-N 3.31Å
392L69.7Low82.2Confident64 Ų6482.5 Ų82.534%0.33543%0.432SS..  trans-92.80-169.2-72173.6000116.4M256 S328 L329 T357 I388 V389M256-L392 HydrophobicContact CE-CD2 4.14Å; M256-L392 HydrophobicContact CG-CD1 3.69Å; S328-L392 PolarHBondContact OG-OXT 3.33Å; L329-L392 HydrophobicContact CB-CD2 4.47Å; L329-L392 HydrophobicContact CD1-CD2 3.9Å; L329-L392 HydrophobicContact CD2-CD2 4.22Å; L329-L392 HydrophobicContact CG-CD2 4.43Å; T357-L392 HydrophobicContact CG2-CD2 4.29Å; I388-L392 HydrophobicContact CG1-CD1 4.41Å; I388-L392 HydrophobicContact CG1-CG 4.31Å; I388-L392 HydrophobicContact CG2-CD1 4.21Å; I388-L392 WeakPolarHBondContact O-CG 3.47Å; V389-L392 PolarHBondContact O-N 3.25Å

Retrieved 392 of 392 residues in 164 ms (Link to these results)

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