G4VBJ2_SCHMA Loading...

Ubx6(Yeast)-related

AlphaFold DB , UniProt , Accession G4VBJ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 305 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
1M47.7Very low82.4Confident239 Ų23986.5 Ų86.5100%1.17745%0.447SS*.  089.40-57.7-62.2-127.900105.6S3M1-S3 PolarHBondContact O-N 2.93Å
2S69.1Low82.7Confident60 Ų6084.7 Ų84.742%0.4247%0.465SS..  trans-62133.1177.626.40000108.8Q7S2-Q7 PolarHBondContact OG-NE2 2.96Å
3S87.2Confident83Confident65 Ų6581.6 Ų81.646%0.45544%0.444SS..  trans-64.4146.3179.6-178.30000109.3M1 L5 E6 Q7M1-S3 PolarHBondContact O-N 2.93Å; S3-L5 PolarHBondContact O-N 3.35Å; S3-L5 VanDerWaalsContact O-N 3.09Å; S3-E6 PolarHBondContact N-OE2 2.95Å; S3-E6 WeakPolarHBondContact O-CA 3.38Å; S3-E6 WeakPolarHBondContact O-CB 3.38Å; S3-E6 PolarHBondContact O-N 3.4Å; S3-Q7 PolarHBondContact O-N 3.47Å
4V87.9Confident83.5Confident36 Ų3681.6 Ų81.622%0.21845%0.448CS..Hα-helixtrans-54.8-32.4177.1177.20000111Q7 L8 L22 L30V4-Q7 PolarHBondContact O-N 3.06Å; V4-L8 HydrophobicContact CG1-CD1 4.23Å; V4-L8 WeakPolarHBondContact O-CG 3.4Å; V4-L8 PolarHBondContact O-N 2.82Å; V4-L22 HydrophobicContact CB-CD1 4.44Å; V4-L22 HydrophobicContact CB-CD2 3.94Å; V4-L22 HydrophobicContact CG1-CD1 4.31Å; V4-L22 HydrophobicContact CG1-CD2 3.8Å; V4-L22 HydrophobicContact CG1-CG 4.3Å; V4-L30 HydrophobicContact CG1-CB 4.03Å; V4-L30 HydrophobicContact CG1-CD1 3.88Å
5L87.5Confident83.7Confident36 Ų3682.9 Ų82.919%0.18845%0.45CS..Hα-helixtrans-62-46.1173.9-178.959.2000112.3S3 L8 M9 Q15 A18 E19 L22S3-L5 PolarHBondContact O-N 3.35Å; S3-L5 VanDerWaalsContact O-N 3.09Å; L5-L8 PolarHBondContact O-N 3.41Å; L5-M9 HydrophobicContact CD1-SD 4.39Å; L5-M9 HydrophobicContact CG-SD 4.2Å; L5-M9 VanDerWaalsContact O-CG 3.26Å; L5-M9 WeakPolarHBondContact O-CG 3.46Å; L5-M9 PolarHBondContact O-N 2.91Å; L5-Q15 HydrophobicContact CD1-CG 4.34Å; L5-A18 HydrophobicContact CD1-CB 3.5Å; L5-A18 VanDerWaalsContact CD1-CB 3.5Å; L5-E19 HydrophobicContact CD1-CG 3.69Å; L5-E19 HydrophobicContact CD2-CG 4Å; L5-L22 HydrophobicContact CB-CD1 3.7Å; L5-L22 HydrophobicContact CD1-CD1 4.1Å; L5-L22 HydrophobicContact CG-CD1 4.49Å
6E88.4Confident83.8Confident108 Ų10881.1 Ų81.151%0.50545%0.449SS..Hα-helixtrans-67.3-37.4178.3-67.1171.3155.400111.2S3 M9 E10S3-E6 PolarHBondContact N-OE2 2.95Å; S3-E6 WeakPolarHBondContact O-CA 3.38Å; S3-E6 WeakPolarHBondContact O-CB 3.38Å; S3-E6 PolarHBondContact O-N 3.4Å; E6-M9 PolarHBondContact O-N 2.86Å; E6-E10 WeakPolarHBondContact O-CB 3.29Å; E6-E10 WeakPolarHBondContact O-CG 3.48Å; E6-E10 PolarHBondContact O-N 2.87Å
7Q90.1Very high83.9Confident60 Ų6079.2 Ų79.228%0.2844%0.436SS..Hα-helixtrans-63.9-42.9176.1-69.7177.9-11.800111.9S2 S3 V4 M9 E10 M11 L30S2-Q7 PolarHBondContact OG-NE2 2.96Å; S3-Q7 PolarHBondContact O-N 3.47Å; V4-Q7 PolarHBondContact O-N 3.06Å; Q7-M9 VanDerWaalsContact C-N 3.32Å; Q7-M9 PolarHBondContact O-N 2.86Å; Q7-E10 PolarHBondContact O-N 3.47Å; Q7-M11 WeakPolarHBondContact O-CG 3.48Å; Q7-M11 PolarHBondContact O-N 2.85Å; Q7-L30 HydrophobicContact CB-CD1 3.91Å; Q7-L30 HydrophobicContact CB-CD2 4.31Å
8L87.7Confident84.1Confident0 Ų074.8 Ų74.80%041%0.411CS..Hα-helixtrans-64.3-38.9174.4-71166.9000111.4V4 L5 M11 G12 F13 A18 L22 L30 A33 M34 I37V4-L8 HydrophobicContact CG1-CD1 4.23Å; V4-L8 WeakPolarHBondContact O-CG 3.4Å; V4-L8 PolarHBondContact O-N 2.82Å; L5-L8 PolarHBondContact O-N 3.41Å; L8-M11 PolarHBondContact O-N 3.45Å; L8-G12 PolarHBondContact O-N 3.42Å; L8-F13 HydrophobicContact CB-CB 4.37Å; L8-F13 HydrophobicContact CB-CD2 4.15Å; L8-F13 HydrophobicContact CD2-CD2 3.71Å; L8-F13 HydrophobicContact CD2-CE2 4.01Å; L8-F13 WeakPolarHBondContact O-CB 3.38Å; L8-F13 WeakPolarHBondContact O-CD2 3.2Å; L8-F13 PolarHBondContact O-N 3.24Å; L8-A18 HydrophobicContact CB-CB 3.6Å; L8-A18 HydrophobicContact CD1-CB 3.75Å; L8-A18 HydrophobicContact CG-CB 4.31Å; L8-L22 HydrophobicContact CD1-CD1 4.32Å; L8-L30 HydrophobicContact CD1-CD1 4.36Å; L8-L30 HydrophobicContact CD2-CD1 3.49Å; L8-L30 VanDerWaalsContact CD2-CD1 3.49Å; L8-L30 HydrophobicContact CG-CD1 3.48Å; L8-L30 VanDerWaalsContact CG-CD1 3.48Å; L8-A33 HydrophobicContact CD1-CB 3.8Å; L8-M34 HydrophobicContact CD2-CB 4.43Å; L8-I37 HydrophobicContact CD1-CD1 4.34Å; L8-I37 HydrophobicContact CD2-CD1 4.04Å
9M89.2Confident84.3Confident81 Ų8174.6 Ų74.640%0.39941%0.407SS..Hα-helixtrans-66.7-40.1175.4-70.9174.865.100112.5L5 E6 Q7 M11 G12 F13 Q15L5-M9 HydrophobicContact CD1-SD 4.39Å; L5-M9 HydrophobicContact CG-SD 4.2Å; L5-M9 VanDerWaalsContact O-CG 3.26Å; L5-M9 WeakPolarHBondContact O-CG 3.46Å; L5-M9 PolarHBondContact O-N 2.91Å; E6-M9 PolarHBondContact O-N 2.86Å; Q7-M9 VanDerWaalsContact C-N 3.32Å; Q7-M9 PolarHBondContact O-N 2.86Å; M9-M11 VanDerWaalsContact C-N 3.27Å; M9-M11 PolarHBondContact O-N 3.22Å; M9-G12 PolarHBondContact O-N 3.44Å; M9-F13 WeakPolarHBondContact CA-O 3.12Å; M9-Q15 HydrophobicContact CE-CB 4.04Å; M9-Q15 HydrophobicContact CE-CG 4.37Å; M9-Q15 HydrophobicContact CG-CB 4.35Å; M9-Q15 HydrophobicContact SD-CB 3.82Å; M9-Q15 HydrophobicContact SD-CG 3.79Å
10E85.3Confident84.4Confident159 Ų15976.3 Ų76.374%0.74341%0.41SS*.Hα-helixtrans-62.6-33.9173.2-80.5-178175.400112.1E6 Q7 G12E6-E10 WeakPolarHBondContact O-CB 3.29Å; E6-E10 WeakPolarHBondContact O-CG 3.48Å; E6-E10 PolarHBondContact O-N 2.87Å; Q7-E10 PolarHBondContact O-N 3.47Å; E10-G12 PolarHBondContact O-N 2.92Å
11M86.5Confident84.6Confident108 Ų10872.6 Ų72.653%0.53239%0.391SS..THydrogen-bonded Turntrans-73.2-7.4173.8-71.6-1726200113.9Q7 L8 M9 F13 M34Q7-M11 WeakPolarHBondContact O-CG 3.48Å; Q7-M11 PolarHBondContact O-N 2.85Å; L8-M11 PolarHBondContact O-N 3.45Å; M9-M11 VanDerWaalsContact C-N 3.27Å; M9-M11 PolarHBondContact O-N 3.22Å; M11-F13 HydrophobicContact CB-CD2 4.04Å; M11-F13 HydrophobicContact CB-CE2 4.07Å; M11-F13 HydrophobicContact CE-CE2 4.29Å; M11-M34 HydrophobicContact CE-CE 3.25Å; M11-M34 HydrophobicContact CE-SD 3.97Å; M11-M34 HydrophobicContact SD-CE 3.31Å; M11-M34 WeakPolarHBondContact SD-CE 3.42Å
12G86Confident86.5Confident64 Ų6462 Ų6266%0.6634%0.339SS*.THydrogen-bonded Turntrans98.76.3177.100000114.8L8 M9 E10L8-G12 PolarHBondContact O-N 3.42Å; M9-G12 PolarHBondContact O-N 3.44Å; E10-G12 PolarHBondContact O-N 2.92Å
13F86.6Confident87.3Confident45 Ų4566.9 Ų66.920%0.19735%0.352CS..  trans-74.7138.8172.1-60.6-69.6000110.4L8 M9 M11 M34 I37L8-F13 HydrophobicContact CB-CB 4.37Å; L8-F13 HydrophobicContact CB-CD2 4.15Å; L8-F13 HydrophobicContact CD2-CD2 3.71Å; L8-F13 HydrophobicContact CD2-CE2 4.01Å; L8-F13 WeakPolarHBondContact O-CB 3.38Å; L8-F13 WeakPolarHBondContact O-CD2 3.2Å; L8-F13 PolarHBondContact O-N 3.24Å; M9-F13 WeakPolarHBondContact CA-O 3.12Å; M11-F13 HydrophobicContact CB-CD2 4.04Å; M11-F13 HydrophobicContact CB-CE2 4.07Å; M11-F13 HydrophobicContact CE-CE2 4.29Å; F13-M34 HydrophobicContact CE2-CE 4.34Å; F13-M34 HydrophobicContact CE2-CG 4.13Å; F13-M34 HydrophobicContact CZ-CG 4.07Å; F13-I37 HydrophobicContact CB-CD1 4.35Å; F13-I37 HydrophobicContact CD1-CD1 4.14Å; F13-I37 HydrophobicContact CD1-CG2 3.71Å; F13-I37 HydrophobicContact CD2-CD1 4.29Å; F13-I37 HydrophobicContact CE1-CB 4.49Å; F13-I37 HydrophobicContact CE1-CG2 3.59Å; F13-I37 HydrophobicContact CG-CD1 4Å; F13-I37 HydrophobicContact CZ-CG2 4.41Å
14T89.2Confident87.2Confident82 Ų8270.6 Ų70.650%0.50336%0.361SS..  trans-64.414417664.20000110A16 K17 A18T14-A16 PolarHBondContact O-N 2.9Å; T14-A16 VanDerWaalsContact O-N 3.13Å; T14-K17 PolarHBondContact O-N 3.25Å; T14-A18 PolarHBondContact O-N 2.92Å
15Q86.7Confident87Confident100 Ų10069.4 Ų69.447%0.46735%0.354SS..Hα-helixtrans-52.4-39.6-179.7-175.2178.7-13.700111.9L5 M9 K17 A18 E19L5-Q15 HydrophobicContact CD1-CG 4.34Å; M9-Q15 HydrophobicContact CE-CB 4.04Å; M9-Q15 HydrophobicContact CE-CG 4.37Å; M9-Q15 HydrophobicContact CG-CB 4.35Å; M9-Q15 HydrophobicContact SD-CB 3.82Å; M9-Q15 HydrophobicContact SD-CG 3.79Å; Q15-K17 PolarHBondContact O-N 3.3Å; Q15-A18 PolarHBondContact O-N 2.93Å; Q15-E19 HydrophobicContact CG-CG 4.33Å; Q15-E19 WeakPolarHBondContact CG-OE1 3.43Å; Q15-E19 PolarHBondContact NE2-OE1 3.49Å; Q15-E19 WeakPolarHBondContact O-CB 3.38Å; Q15-E19 WeakPolarHBondContact O-CG 3.19Å; Q15-E19 PolarHBondContact O-N 3.33Å
16A85.5Confident86.6Confident54 Ų5470 Ų7045%0.44637%0.368SS..Hα-helixtrans-62.6-40.8177.800000113.3T14 K20T14-A16 PolarHBondContact O-N 2.9Å; T14-A16 VanDerWaalsContact O-N 3.13Å; A16-K20 WeakPolarHBondContact O-CG 3.45Å; A16-K20 PolarHBondContact O-N 2.93Å; A16-K20 VanDerWaalsContact O-N 3.1Å
17K85.5Confident85.9Confident49 Ų4970.6 Ų70.621%0.21338%0.375CS..Hα-helixtrans-69-45175.9-78.1-176.9177.7178.40110.8T14 Q15 E19 K20 A21 D41T14-K17 PolarHBondContact O-N 3.25Å; Q15-K17 PolarHBondContact O-N 3.3Å; K17-E19 PolarHBondContact O-N 3.48Å; K17-K20 PolarHBondContact O-N 2.93Å; K17-A21 VanDerWaalsContact O-CB 3.29Å; K17-A21 WeakPolarHBondContact O-CB 3.34Å; K17-A21 PolarHBondContact O-N 2.91Å; K17-D41 IonicContact NZ-OD1 3.62Å; K17-D41 PolarHBondContact NZ-OD1 3.47Å
18A87.9Confident85.4Confident0 Ų075.2 Ų75.20%039%0.394CS..Hα-helixtrans-62.2-40.8178.600000112.5L5 L8 T14 Q15 A21 L22L5-A18 HydrophobicContact CD1-CB 3.5Å; L5-A18 VanDerWaalsContact CD1-CB 3.5Å; L8-A18 HydrophobicContact CB-CB 3.6Å; L8-A18 HydrophobicContact CD1-CB 3.75Å; L8-A18 HydrophobicContact CG-CB 4.31Å; T14-A18 PolarHBondContact O-N 2.92Å; Q15-A18 PolarHBondContact O-N 2.93Å; A18-A21 PolarHBondContact O-N 3.24Å; A18-L22 WeakPolarHBondContact O-CB 3.23Å; A18-L22 WeakPolarHBondContact O-CD1 3.26Å; A18-L22 PolarHBondContact O-N 3.38Å
19E87.7Confident85.2Confident72 Ų7276.3 Ų76.334%0.33641%0.406SS..Hα-helixtrans-67.2-41.6174.9-75.3-178.8-167.900112.8L5 Q15 K17 A21 L22 K23L5-E19 HydrophobicContact CD1-CG 3.69Å; L5-E19 HydrophobicContact CD2-CG 4Å; Q15-E19 HydrophobicContact CG-CG 4.33Å; Q15-E19 WeakPolarHBondContact CG-OE1 3.43Å; Q15-E19 PolarHBondContact NE2-OE1 3.49Å; Q15-E19 WeakPolarHBondContact O-CB 3.38Å; Q15-E19 WeakPolarHBondContact O-CG 3.19Å; Q15-E19 PolarHBondContact O-N 3.33Å; K17-E19 PolarHBondContact O-N 3.48Å; E19-A21 VanDerWaalsContact C-N 3.33Å; E19-L22 PolarHBondContact O-N 2.99Å; E19-K23 WeakPolarHBondContact O-CG 3.46Å; E19-K23 PolarHBondContact O-N 3.02Å
20K87Confident85.2Confident107 Ų10774.7 Ų74.747%0.46540%0.398SS..Hα-helixtrans-59.8-47.5173.3-78.4-179.4-178.9-179.40110A16 K17 L22 K23 F24 W36A16-K20 WeakPolarHBondContact O-CG 3.45Å; A16-K20 PolarHBondContact O-N 2.93Å; A16-K20 VanDerWaalsContact O-N 3.1Å; K17-K20 PolarHBondContact O-N 2.93Å; K20-L22 VanDerWaalsContact C-N 3.35Å; K20-L22 PolarHBondContact O-N 3.45Å; K20-K23 WeakPolarHBondContact O-CB 3.28Å; K20-K23 PolarHBondContact O-N 2.95Å; K20-K23 VanDerWaalsContact O-N 3.15Å; K20-F24 VanDerWaalsContact O-CD2 3.23Å; K20-F24 WeakPolarHBondContact O-CD2 3.47Å; K20-F24 PolarHBondContact O-N 3.23Å; K20-W36 HydrophobicContact CB-CH2 3.83Å; K20-W36 HydrophobicContact CB-CZ3 3.81Å
21A88Confident85.3Confident0 Ų075 Ų750%040%0.399CS..Hα-helixtrans-59.7-42.3178.500000113.3K17 A18 E19 F24 S25 A33 W36 I37K17-A21 VanDerWaalsContact O-CB 3.29Å; K17-A21 WeakPolarHBondContact O-CB 3.34Å; K17-A21 PolarHBondContact O-N 2.91Å; A18-A21 PolarHBondContact O-N 3.24Å; E19-A21 VanDerWaalsContact C-N 3.33Å; A21-F24 PolarHBondContact O-N 3.41Å; A21-S25 VanDerWaalsContact O-CB 3.27Å; A21-S25 WeakPolarHBondContact O-CB 3.35Å; A21-S25 PolarHBondContact O-N 3.4Å; A21-S25 PolarHBondContact O-OG 3.07Å; A21-A33 HydrophobicContact CB-CB 3.96Å; A21-A33 WeakPolarHBondContact CB-O 3.47Å; A21-W36 VanDerWaalsContact CA-CE3 3.43Å; A21-W36 HydrophobicContact CB-CD2 4.44Å; A21-W36 HydrophobicContact CB-CE3 3.65Å; A21-W36 HydrophobicContact CB-CZ3 4.29Å; A21-I37 HydrophobicContact CB-CD1 3.76Å; A21-I37 HydrophobicContact CB-CG1 3.5Å; A21-I37 VanDerWaalsContact CB-CG1 3.5Å
22L88.2Confident85.4Confident17 Ų1773.8 Ų73.89%0.08939%0.393CS..Hα-helixtrans-66-37.8175.6-87.2153.7000112.5V4 L5 L8 A18 E19 K20 S25 G26 N27 A33V4-L22 HydrophobicContact CB-CD1 4.44Å; V4-L22 HydrophobicContact CB-CD2 3.94Å; V4-L22 HydrophobicContact CG1-CD1 4.31Å; V4-L22 HydrophobicContact CG1-CD2 3.8Å; V4-L22 HydrophobicContact CG1-CG 4.3Å; L5-L22 HydrophobicContact CB-CD1 3.7Å; L5-L22 HydrophobicContact CD1-CD1 4.1Å; L5-L22 HydrophobicContact CG-CD1 4.49Å; L8-L22 HydrophobicContact CD1-CD1 4.32Å; A18-L22 WeakPolarHBondContact O-CB 3.23Å; A18-L22 WeakPolarHBondContact O-CD1 3.26Å; A18-L22 PolarHBondContact O-N 3.38Å; E19-L22 PolarHBondContact O-N 2.99Å; K20-L22 VanDerWaalsContact C-N 3.35Å; K20-L22 PolarHBondContact O-N 3.45Å; L22-S25 WeakPolarHBondContact CA-OG 3.35Å; L22-S25 PolarHBondContact O-OG 2.98Å; L22-G26 WeakPolarHBondContact O-CA 3.32Å; L22-G26 PolarHBondContact O-N 2.95Å; L22-N27 HydrophobicContact CD2-CB 4.43Å; L22-N27 WeakPolarHBondContact CD2-OD1 3.24Å; L22-N27 PolarHBondContact O-N 3.1Å; L22-N27 VanDerWaalsContact O-N 3.11Å; L22-A33 HydrophobicContact CG-CB 4.48Å
23K86.2Confident85.5Confident162 Ų16270.7 Ų70.770%0.70436%0.361SS*.Hα-helixtrans-63.9-43.9174-77.5173.5176.4171.30112.1E19 K20E19-K23 WeakPolarHBondContact O-CG 3.46Å; E19-K23 PolarHBondContact O-N 3.02Å; K20-K23 WeakPolarHBondContact O-CB 3.28Å; K20-K23 PolarHBondContact O-N 2.95Å; K20-K23 VanDerWaalsContact O-N 3.15Å
24F84.4Confident85.5Confident143 Ų14370.9 Ų70.963%0.62736%0.363SS*.Hα-helixtrans-78-39-178-79.8-76.3000113.5K20 A21 G26 W36K20-F24 VanDerWaalsContact O-CD2 3.23Å; K20-F24 WeakPolarHBondContact O-CD2 3.47Å; K20-F24 PolarHBondContact O-N 3.23Å; A21-F24 PolarHBondContact O-N 3.41Å; F24-G26 PolarHBondContact O-N 3.39Å; F24-W36 HydrophobicContact CB-CD2 4.11Å; F24-W36 HydrophobicContact CB-CG 4.12Å; F24-W36 HydrophobicContact CB-CZ2 4.3Å; F24-W36 HydrophobicContact CD2-CD2 4.42Å; F24-W36 AromaticContact CD2-CE2 3.57Å; F24-W36 AromaticContact CD2-CH2 3.84Å; F24-W36 HydrophobicContact CD2-CH2 3.84Å; F24-W36 AromaticContact CD2-CZ2 3.23Å; F24-W36 HydrophobicContact CD2-CZ2 3.23Å; F24-W36 AromaticContact CD2-NE1 3.97Å; F24-W36 HydrophobicContact CE2-CH2 4.13Å; F24-W36 AromaticContact CE2-CZ2 3.61Å; F24-W36 HydrophobicContact CE2-CZ2 3.61Å; F24-W36 AromaticContact CG-CE2 3.68Å; F24-W36 AromaticContact CG-CZ2 3.82Å; F24-W36 HydrophobicContact CG-CZ2 3.82Å; F24-W36 AromaticContact CG-NE1 3.59Å; F24-W36 HydrophobicContact CZ-CZ2 4.42Å
25S83.2Confident85.4Confident10 Ų1073 Ų737%0.0737%0.367CS..Hα-helixtrans-72.3-18172.161.10000112.6A21 L22 K28A21-S25 VanDerWaalsContact O-CB 3.27Å; A21-S25 WeakPolarHBondContact O-CB 3.35Å; A21-S25 PolarHBondContact O-N 3.4Å; A21-S25 PolarHBondContact O-OG 3.07Å; L22-S25 WeakPolarHBondContact CA-OG 3.35Å; L22-S25 PolarHBondContact O-OG 2.98Å; S25-K28 VanDerWaalsContact O-CD 3.31Å; S25-K28 WeakPolarHBondContact O-CD 3.3Å; S25-K28 WeakPolarHBondContact O-CG 3.15Å
26G78.4Confident85.5Confident48 Ų4871.1 Ų71.150%0.49536%0.356SS..THydrogen-bonded Turntrans70.836.5178.300000113.3L22 F24 K28L22-G26 WeakPolarHBondContact O-CA 3.32Å; L22-G26 PolarHBondContact O-N 2.95Å; F24-G26 PolarHBondContact O-N 3.39Å; G26-K28 PolarHBondContact O-N 2.89Å
27N73.8Confident85.5Confident121 Ų12168.7 Ų68.765%0.64734%0.335SS*.THydrogen-bonded Turntrans58.222.6179.5-60.9-29.6000115.7L22 G29L22-N27 HydrophobicContact CD2-CB 4.43Å; L22-N27 WeakPolarHBondContact CD2-OD1 3.24Å; L22-N27 PolarHBondContact O-N 3.1Å; L22-N27 VanDerWaalsContact O-N 3.11Å; N27-G29 VanDerWaalsContact C-N 3.33Å; N27-G29 PolarHBondContact O-N 2.91Å
28K79.8Confident85.5Confident158 Ų15870.7 Ų70.769%0.68735%0.352SS*.SBendtrans-73.7-19.9-176.5-71.2170.7-178.11710114.2S25 G26 E32S25-K28 VanDerWaalsContact O-CD 3.31Å; S25-K28 WeakPolarHBondContact O-CD 3.3Å; S25-K28 WeakPolarHBondContact O-CG 3.15Å; G26-K28 PolarHBondContact O-N 2.89Å; K28-E32 WeakPolarHBondContact CB-OE2 3.31Å; K28-E32 WeakPolarHBondContact CD-OE2 3.19Å
29G85Confident85.3Confident23 Ų2376.6 Ų76.624%0.23738%0.383CS..  trans167.2171.9174.700000113.3N27 A33N27-G29 VanDerWaalsContact C-N 3.33Å; N27-G29 PolarHBondContact O-N 2.91Å; G29-A33 PolarHBondContact O-N 3.4Å
30L87.4Confident84.8Confident46 Ų4677.5 Ų77.524%0.24139%0.391CS..Hα-helixtrans-65.1-40.2174.9179.368000112.1V4 Q7 L8 A33 M34V4-L30 HydrophobicContact CG1-CB 4.03Å; V4-L30 HydrophobicContact CG1-CD1 3.88Å; Q7-L30 HydrophobicContact CB-CD1 3.91Å; Q7-L30 HydrophobicContact CB-CD2 4.31Å; L8-L30 HydrophobicContact CD1-CD1 4.36Å; L8-L30 HydrophobicContact CD2-CD1 3.49Å; L8-L30 VanDerWaalsContact CD2-CD1 3.49Å; L8-L30 HydrophobicContact CG-CD1 3.48Å; L8-L30 VanDerWaalsContact CG-CD1 3.48Å; L30-A33 PolarHBondContact O-N 3.45Å; L30-M34 HydrophobicContact CG-CE 4.4Å; L30-M34 WeakPolarHBondContact O-CB 3.5Å; L30-M34 PolarHBondContact O-N 2.85Å
31E88.5Confident83.8Confident165 Ų16576 Ų7677%0.77139%0.388SS*.Hα-helixtrans-66.6-47.3-176.3-67.4177.6173.800112.1A33 M34 E35E31-A33 VanDerWaalsContact C-N 3.28Å; E31-A33 PolarHBondContact O-N 3.23Å; E31-M34 CarbonylContact O-C 3.59Å; E31-M34 PolarHBondContact O-N 2.77Å; E31-M34 VanDerWaalsContact O-N 3.09Å; E31-E35 PolarHBondContact O-N 3.49Å
32E87.7Confident82Confident83 Ų8381.1 Ų81.139%0.38842%0.423SS..Hα-helixtrans-63.8-35.1177.2-70.7-170.1-171.400112.1K28 W36K28-E32 WeakPolarHBondContact CB-OE2 3.31Å; K28-E32 WeakPolarHBondContact CD-OE2 3.19Å; E32-W36 WeakPolarHBondContact O-CB 3.27Å; E32-W36 PolarHBondContact O-N 3.12Å; E32-W36 VanDerWaalsContact O-N 3.07Å
33A88.2Confident80Confident0 Ų083.3 Ų83.30%045%0.45CS..Hα-helixtrans-67.2-39.9173.700000111L8 A21 L22 G29 L30 E31 I37L8-A33 HydrophobicContact CD1-CB 3.8Å; A21-A33 HydrophobicContact CB-CB 3.96Å; A21-A33 WeakPolarHBondContact CB-O 3.47Å; L22-A33 HydrophobicContact CG-CB 4.48Å; G29-A33 PolarHBondContact O-N 3.4Å; L30-A33 PolarHBondContact O-N 3.45Å; E31-A33 VanDerWaalsContact C-N 3.28Å; E31-A33 PolarHBondContact O-N 3.23Å; A33-I37 VanDerWaalsContact O-CG1 3.26Å; A33-I37 WeakPolarHBondContact O-CG1 3.39Å; A33-I37 PolarHBondContact O-N 2.9Å
34M86.9Confident78Confident49 Ų4981.7 Ų81.724%0.24145%0.449CS..Hα-helixtrans-69.7-40177.1-166.1-177.9-55.200112.7L8 M11 F13 L30 E31 W36 I37 V38L8-M34 HydrophobicContact CD2-CB 4.43Å; M11-M34 HydrophobicContact CE-CE 3.25Å; M11-M34 HydrophobicContact CE-SD 3.97Å; M11-M34 HydrophobicContact SD-CE 3.31Å; M11-M34 WeakPolarHBondContact SD-CE 3.42Å; F13-M34 HydrophobicContact CE2-CE 4.34Å; F13-M34 HydrophobicContact CE2-CG 4.13Å; F13-M34 HydrophobicContact CZ-CG 4.07Å; L30-M34 HydrophobicContact CG-CE 4.4Å; L30-M34 WeakPolarHBondContact O-CB 3.5Å; L30-M34 PolarHBondContact O-N 2.85Å; E31-M34 CarbonylContact O-C 3.59Å; E31-M34 PolarHBondContact O-N 2.77Å; E31-M34 VanDerWaalsContact O-N 3.09Å; M34-W36 VanDerWaalsContact C-N 3.34Å; M34-I37 CarbonylContact O-C 3.57Å; M34-I37 WeakPolarHBondContact O-CB 3.35Å; M34-I37 PolarHBondContact O-N 3.36Å; M34-I37 VanDerWaalsContact O-N 3.14Å; M34-V38 WeakPolarHBondContact O-CG2 3.3Å; M34-V38 PolarHBondContact O-N 3.24Å
35E88.2Confident75.8Confident126 Ų12683.1 Ų83.159%0.58946%0.458SS*.Hα-helixtrans-60.2-45.1175-174175.9-156.700110.6E31 I37 V38 D39E31-E35 PolarHBondContact O-N 3.49Å; E35-I37 VanDerWaalsContact C-N 3.3Å; E35-I37 PolarHBondContact O-N 3.06Å; E35-V38 PolarHBondContact O-N 3.08Å; E35-D39 PolarHBondContact O-N 3.39Å
36W87.1Confident74.1Confident60 Ų6090.3 Ų90.323%0.22749%0.49CS..Hα-helixtrans-60.9-40173.8-171.887.4000112.2K20 A21 F24 E32 M34 N40K20-W36 HydrophobicContact CB-CH2 3.83Å; K20-W36 HydrophobicContact CB-CZ3 3.81Å; A21-W36 VanDerWaalsContact CA-CE3 3.43Å; A21-W36 HydrophobicContact CB-CD2 4.44Å; A21-W36 HydrophobicContact CB-CE3 3.65Å; A21-W36 HydrophobicContact CB-CZ3 4.29Å; F24-W36 HydrophobicContact CB-CD2 4.11Å; F24-W36 HydrophobicContact CB-CG 4.12Å; F24-W36 HydrophobicContact CB-CZ2 4.3Å; F24-W36 HydrophobicContact CD2-CD2 4.42Å; F24-W36 AromaticContact CD2-CE2 3.57Å; F24-W36 AromaticContact CD2-CH2 3.84Å; F24-W36 HydrophobicContact CD2-CH2 3.84Å; F24-W36 AromaticContact CD2-CZ2 3.23Å; F24-W36 HydrophobicContact CD2-CZ2 3.23Å; F24-W36 AromaticContact CD2-NE1 3.97Å; F24-W36 HydrophobicContact CE2-CH2 4.13Å; F24-W36 AromaticContact CE2-CZ2 3.61Å; F24-W36 HydrophobicContact CE2-CZ2 3.61Å; F24-W36 AromaticContact CG-CE2 3.68Å; F24-W36 AromaticContact CG-CZ2 3.82Å; F24-W36 HydrophobicContact CG-CZ2 3.82Å; F24-W36 AromaticContact CG-NE1 3.59Å; F24-W36 HydrophobicContact CZ-CZ2 4.42Å; E32-W36 WeakPolarHBondContact O-CB 3.27Å; E32-W36 PolarHBondContact O-N 3.12Å; E32-W36 VanDerWaalsContact O-N 3.07Å; M34-W36 VanDerWaalsContact C-N 3.34Å; W36-N40 HydrophobicContact CD2-CB 4.5Å; W36-N40 HydrophobicContact CE3-CB 4.38Å; W36-N40 HydrophobicContact CH2-CB 4.21Å; W36-N40 HydrophobicContact CZ2-CB 4.3Å; W36-N40 HydrophobicContact CZ3-CB 4.25Å; W36-N40 VanDerWaalsContact O-CB 3.24Å; W36-N40 WeakPolarHBondContact O-CB 3.44Å; W36-N40 PolarHBondContact O-N 3.31Å; W36-N40 VanDerWaalsContact O-N 3.09Å
37I86.6Confident72.2Confident3 Ų396.8 Ų96.82%0.01551%0.505CS..Hα-helixtrans-62.7-50.3174.4-67165.2000109.3L8 F13 A21 A33 M34 E35 D39 N40 D41L8-I37 HydrophobicContact CD1-CD1 4.34Å; L8-I37 HydrophobicContact CD2-CD1 4.04Å; F13-I37 HydrophobicContact CB-CD1 4.35Å; F13-I37 HydrophobicContact CD1-CD1 4.14Å; F13-I37 HydrophobicContact CD1-CG2 3.71Å; F13-I37 HydrophobicContact CD2-CD1 4.29Å; F13-I37 HydrophobicContact CE1-CB 4.49Å; F13-I37 HydrophobicContact CE1-CG2 3.59Å; F13-I37 HydrophobicContact CG-CD1 4Å; F13-I37 HydrophobicContact CZ-CG2 4.41Å; A21-I37 HydrophobicContact CB-CD1 3.76Å; A21-I37 HydrophobicContact CB-CG1 3.5Å; A21-I37 VanDerWaalsContact CB-CG1 3.5Å; A33-I37 VanDerWaalsContact O-CG1 3.26Å; A33-I37 WeakPolarHBondContact O-CG1 3.39Å; A33-I37 PolarHBondContact O-N 2.9Å; M34-I37 CarbonylContact O-C 3.57Å; M34-I37 WeakPolarHBondContact O-CB 3.35Å; M34-I37 PolarHBondContact O-N 3.36Å; M34-I37 VanDerWaalsContact O-N 3.14Å; E35-I37 VanDerWaalsContact C-N 3.3Å; E35-I37 PolarHBondContact O-N 3.06Å; I37-D39 VanDerWaalsContact C-N 3.3Å; I37-D39 PolarHBondContact O-N 2.78Å; I37-N40 CarbonylContact O-C 3.37Å; I37-N40 PolarHBondContact O-N 2.96Å; I37-D41 HydrophobicContact CG2-CB 3.99Å; I37-D41 WeakPolarHBondContact O-CA 2.93Å; I37-D41 WeakPolarHBondContact O-CB 3.39Å; I37-D41 PolarHBondContact O-N 3.07Å
38V85.6Confident70.5Confident91 Ų9199.2 Ų99.255%0.55251%0.512SS*.Hα-helixtrans-58.3-43.1-178.8170.90000111.8M34 E35 N40M34-V38 WeakPolarHBondContact O-CG2 3.3Å; M34-V38 PolarHBondContact O-N 3.24Å; E35-V38 PolarHBondContact O-N 3.08Å; V38-N40 PolarHBondContact O-N 3.33Å
39D83.7Confident68.2Low124 Ų12495.2 Ų95.266%0.66352%0.516SS*.Hα-helixtrans-65.6-27.5177.7-80.3-2.9000112.5E35 I37E35-D39 PolarHBondContact O-N 3.39Å; I37-D39 VanDerWaalsContact C-N 3.3Å; I37-D39 PolarHBondContact O-N 2.78Å
40N76.5Confident65.7Low92 Ų92101.3 Ų101.349%0.49254%0.541SS..Hα-helixtrans-111.8-2.8-175.1-147.893.7000114.4W36 I37 V38 S42W36-N40 HydrophobicContact CD2-CB 4.5Å; W36-N40 HydrophobicContact CE3-CB 4.38Å; W36-N40 HydrophobicContact CH2-CB 4.21Å; W36-N40 HydrophobicContact CZ2-CB 4.3Å; W36-N40 HydrophobicContact CZ3-CB 4.25Å; W36-N40 VanDerWaalsContact O-CB 3.24Å; W36-N40 WeakPolarHBondContact O-CB 3.44Å; W36-N40 PolarHBondContact O-N 3.31Å; W36-N40 VanDerWaalsContact O-N 3.09Å; I37-N40 CarbonylContact O-C 3.37Å; I37-N40 PolarHBondContact O-N 2.96Å; V38-N40 PolarHBondContact O-N 3.33Å; N40-S42 VanDerWaalsContact C-N 3.26Å
41D66.8Low63Low76 Ų76106.6 Ų106.641%0.40657%0.57SS.*  trans-88.62.6178.6-167.355.1000111.6K17 I37 G43K17-D41 IonicContact NZ-OD1 3.62Å; K17-D41 PolarHBondContact NZ-OD1 3.47Å; I37-D41 HydrophobicContact CG2-CB 3.99Å; I37-D41 WeakPolarHBondContact O-CA 2.93Å; I37-D41 WeakPolarHBondContact O-CB 3.39Å; I37-D41 PolarHBondContact O-N 3.07Å; D41-G43 PolarHBondContact O-N 3.4Å
42S49.6Very low60.3Low106 Ų106102.5 Ų102.574%0.74157%0.572SS**SBendtrans-69.268.4165.4-63.30000110.7N40N40-S42 VanDerWaalsContact C-N 3.26Å
43G46.5Very low57.4Low64 Ų64103.7 Ų103.766%0.6660%0.596SS**SBendtrans113.7-8.3149.800000119.1D41 E45D41-G43 PolarHBondContact O-N 3.4Å; G43-E45 PolarHBondContact O-N 2.92Å
44D44.5Very low54.8Low128 Ų128113.4 Ų113.468%0.68463%0.633SS**  trans-106.880.9-172.3-62.3-36000112.6E46D44-E46 PolarHBondContact O-N 2.93Å
45E38.9Very low52.1Low173 Ų173118.1 Ų118.181%0.80865%0.654SS**  trans-77.499.2152-68.2-169.5168.500108.4G43G43-E45 PolarHBondContact O-N 2.92Å
46E46.8Very low49.4Very low160 Ų160116.6 Ų116.675%0.74866%0.663SS**  trans-162.9110.4140.7-108.5171.5-16300114.3D44D44-E46 PolarHBondContact O-N 2.93Å
47K37.5Very low46.9Very low185 Ų185122.9 Ų122.980%0.80470%0.695SS**  trans30.9102.4135.4-60.1174.5-173.2158.20118.3
48E37.9Very low44.7Very low172 Ų172129.1 Ų129.180%0.80473%0.733SS**  trans-131.695.5155.2-84.7-84.7140.700108.3
49G33Very low42.6Very low74 Ų74131.3 Ų131.376%0.76375%0.747SS**  trans-110.2108169.900000110
50I32.8Very low40.9Very low150 Ų150133.1 Ų133.177%0.76976%0.757SS**  trans57108.8140.8-93.9166.7000120.1
51N30.2Very low39.5Very low158 Ų158135.4 Ų135.485%0.84577%0.768SS**  trans43.2104131.5-57.5-28.8000119.6
52G30.4Very low39.1Very low78 Ų78137 Ų13780%0.80478%0.783SS**  trans-154.587.5156.400000110.4R54G52-R54 PolarHBondContact O-N 3.2Å
53A27.3Very low40Very low108 Ų108136.5 Ų136.589%0.89377%0.771SS**  trans-62124.6172.800000111.2
54R33.4Very low41.7Very low205 Ų205133.9 Ų133.977%0.77474%0.743SS**  trans-165.9115.7146.7-156.3162.7173.9175.4-2.5112.1G52G52-R54 PolarHBondContact O-N 3.2Å
55E31.3Very low43.7Very low147 Ų147130.9 Ų130.969%0.68772%0.722SS**  trans47.6100.9142.1-59159.2-179.800116.8
56A30.7Very low45.9Very low94 Ų94125.5 Ų125.578%0.77770%0.696SS**  66122.283.100000114.6
57E34.1Very low47.8Very low192 Ų192117.9 Ų117.990%0.89766%0.661SS**  trans76.191162.8-63.2-173.5144.400118.9
58T41.9Very low50.2Low135 Ų135112.5 Ų112.583%0.82864%0.641SS**  trans-139.8138130.748.50000109.1D60T58-D60 PolarHBondContact O-N 3.24Å
59T41.1Very low52.4Low136 Ų136108.2 Ų108.283%0.83462%0.623SS**  trans-73.1114.6-164.420.10000112.7L61T59-L61 PolarHBondContact O-N 2.96Å
60D46.7Very low54.9Low163 Ų163107.2 Ų107.287%0.87260%0.604SS**  trans-62.5107.5173.3-66.6-52.6000112T58T58-D60 PolarHBondContact O-N 3.24Å
61L48.8Very low57.1Low140 Ų140105.8 Ų105.873%0.73360%0.598SS**  trans-113.5133.4152.9-87.8102.6000108.4T59 L63T59-L61 PolarHBondContact O-N 2.96Å; L61-L63 WeakPolarHBondContact O-CD1 3.26Å; L61-L63 PolarHBondContact O-N 3.38Å; L61-L63 VanDerWaalsContact O-N 3.15Å
62P57.3Low59.6Low109 Ų109104.3 Ų104.371%0.70858%0.584SS**  trans-71.5110.8-171.727.6-33.2000111.3S64P62-S64 PolarHBondContact O-N 3.48Å
63L70Confident62Low95 Ų95104.4 Ų104.450%0.49757%0.571SS.*  trans-75.7109.4169.9-89.965.3000109.3L61L61-L63 WeakPolarHBondContact O-CD1 3.26Å; L61-L63 PolarHBondContact O-N 3.38Å; L61-L63 VanDerWaalsContact O-N 3.15Å
64S80.1Confident64.6Low10 Ų1099.7 Ų99.77%0.0753%0.531CS..EExtended strand (participates in β ladder)trans-84.7148.1164.442.20000111.4P62 C95 D97P62-S64 PolarHBondContact O-N 3.48Å; S64-C95 PolarHBondContact O-N 3.11Å; S64-C95 VanDerWaalsContact O-O 3.05Å; S64-C95 PolarHBondContact OG-O 3.09Å; S64-D97 PolarHBondContact OG-O 3.01Å
65Y86.7Confident66.9Low64 Ų6496.3 Ų96.325%0.25152%0.518SS..EExtended strand (participates in β ladder)trans-115.1128.5-179.6-60.1-80.5000109.4L74 V80Y65-L74 PolarHBondContact N-O 3.3Å; Y65-L74 WeakPolarHBondContact O-CA 3.27Å; Y65-L74 WeakPolarHBondContact O-CB 3.15Å; Y65-L74 PolarHBondContact O-N 2.98Å; Y65-L74 VanDerWaalsContact O-O 3.13Å; Y65-V80 HydrophobicContact CD2-CG2 3.92Å; Y65-V80 HydrophobicContact CG-CG2 4Å
66K86.2Confident69.2Low61 Ų6193.4 Ų93.427%0.26551%0.508SS..EExtended strand (participates in β ladder)trans-97.7141.816869.9170-176.7168.40109.6D68 K72 Y92 S93 C95K66-D68 VanDerWaalsContact CE-OD1 3.31Å; K66-D68 WeakPolarHBondContact CE-OD1 3.47Å; K66-D68 IonicContact NZ-OD1 2.62Å; K66-K72 WeakPolarHBondContact CA-O 3.43Å; K66-Y92 CarbonylContact O-C 3.48Å; K66-Y92 VanDerWaalsContact O-CA 3.22Å; K66-Y92 WeakPolarHBondContact O-CA 2.98Å; K66-S93 WeakPolarHBondContact CE-OG 3.37Å; K66-S93 WeakPolarHBondContact CG-O 3.42Å; K66-S93 WeakPolarHBondContact CG-OG 3.46Å; K66-S93 PolarHBondContact N-O 3.13Å; K66-S93 PolarHBondContact O-N 2.94Å; K66-C95 HydrophobicContact CB-CB 4.28Å; K66-C95 HydrophobicContact CD-CB 4.22Å; K66-C95 HydrophobicContact CG-CB 4.07Å
67C87.1Confident71.8Confident0 Ų095.7 Ų95.70%050%0.502CS..EExtended strand (participates in β ladder)trans-80.5119.2168179.20000109D69 C70 D71 K72 L74 H89 Y92C67-D69 PolarHBondContact O-N 3.07Å; C67-C70 VanDerWaalsContact CB-SG 3.51Å; C67-C70 PolarHBondContact O-N 2.96Å; C67-D71 WeakPolarHBondContact O-CA 3.48Å; C67-D71 PolarHBondContact O-N 3.3Å; C67-K72 PolarHBondContact N-O 3.34Å; C67-L74 HydrophobicContact CB-CD1 4.3Å; C67-H89 WeakPolarHBondContact SG-CB 3.13Å; C67-H89 PolarHBondContact SG-ND1 2.91Å; C67-H89 VanDerWaalsContact SG-ND1 3.42Å; C67-Y92 HydrophobicContact CB-CD1 3.87Å; C67-Y92 HydrophobicContact CB-CE1 3.73Å
68D86.2Confident74.2Confident72 Ų7292 Ų9239%0.38549%0.488SS..THydrogen-bonded Turntrans-69-21.1-179.9-69.5-34.5000112.8K66 N91 S93K66-D68 VanDerWaalsContact CE-OD1 3.31Å; K66-D68 WeakPolarHBondContact CE-OD1 3.47Å; K66-D68 IonicContact NZ-OD1 2.62Å; D68-N91 HydrophobicContact CB-CB 4.08Å; D68-N91 PolarHBondContact N-O 2.9Å; D68-S93 VanDerWaalsContact CG-OG 3.27Å; D68-S93 PolarHBondContact OD1-OG 3.07Å; D68-S93 WeakPolarHBondContact OD2-CB 3.28Å; D68-S93 PolarHBondContact OD2-OG 2.96Å
69D85.5Confident76.3Confident82 Ų8289.9 Ų89.944%0.43947%0.469SS..THydrogen-bonded Turntrans-86-19.4-177.7-57.6-43.6000112.8C67 H89 N91C67-D69 PolarHBondContact O-N 3.07Å; D69-H89 HydrophobicContact CB-CB 4.07Å; D69-H89 IonicContact OD2-CG 2.84Å; D69-N91 PolarHBondContact OD1-ND2 3.34Å
70C85Confident78.4Confident52 Ų5284.4 Ų84.435%0.35144%0.435SS..THydrogen-bonded Turntrans-135.95.4179.575.20000115.4C67 K72 H83C67-C70 VanDerWaalsContact CB-SG 3.51Å; C67-C70 PolarHBondContact O-N 2.96Å; C70-K72 PolarHBondContact O-N 3Å; C70-K72 WeakPolarHBondContact SG-CB 3.48Å; C70-H83 PolarHBondContact SG-CE1 3.44Å; C70-H83 PolarHBondContact SG-NE2 3.4Å
71D79.8Confident80.3Confident121 Ų12183.2 Ų83.265%0.64743%0.425SS*.  trans50.720.7-176.3-66.4-49.8000114.7C67 C73C67-D71 WeakPolarHBondContact O-CA 3.48Å; C67-D71 PolarHBondContact O-N 3.3Å; D71-C73 PolarHBondContact O-N 3.49Å
72K81.6Confident82.2Confident126 Ų12681.3 Ų81.355%0.54842%0.419SS..  trans-80.6118.9178.4-167.570.8171.1-175.40109.7K66 C67 C70 L74K66-K72 WeakPolarHBondContact CA-O 3.43Å; C67-K72 PolarHBondContact N-O 3.34Å; C70-K72 PolarHBondContact O-N 3Å; C70-K72 WeakPolarHBondContact SG-CB 3.48Å; K72-L74 HydrophobicContact CG-CD2 4.31Å
73C80.7Confident83.7Confident80 Ų8077.5 Ų77.554%0.54139%0.391SS..EExtended strand (participates in β ladder)trans-72.9127.3167.8-61.10000110D71D71-C73 PolarHBondContact O-N 3.49Å
74L83.1Confident84.5Confident9 Ų974.9 Ų74.95%0.04738%0.381CS..EExtended strand (participates in β ladder)trans-115.6126.4-178.6-59.2156.6000106Y65 C67 K72 E79 V80 H83 Y92Y65-L74 PolarHBondContact N-O 3.3Å; Y65-L74 WeakPolarHBondContact O-CA 3.27Å; Y65-L74 WeakPolarHBondContact O-CB 3.15Å; Y65-L74 PolarHBondContact O-N 2.98Å; Y65-L74 VanDerWaalsContact O-O 3.13Å; C67-L74 HydrophobicContact CB-CD1 4.3Å; K72-L74 HydrophobicContact CG-CD2 4.31Å; L74-E79 HydrophobicContact CB-CB 4.12Å; L74-E79 HydrophobicContact CD2-CB 4.02Å; L74-V80 HydrophobicContact CB-CG2 3.85Å; L74-V80 HydrophobicContact CD1-CB 4.44Å; L74-V80 HydrophobicContact CD1-CG2 3.88Å; L74-V80 HydrophobicContact CG-CG2 4.48Å; L74-H83 HydrophobicContact CD1-CB 3.91Å; L74-H83 HydrophobicContact CD2-CB 3.75Å; L74-Y92 HydrophobicContact CD1-CD1 3.76Å; L74-Y92 HydrophobicContact CD1-CE1 3.46Å; L74-Y92 VanDerWaalsContact CD1-CE1 3.46Å
75R80.6Confident85Confident134 Ų13478.8 Ų78.851%0.50641%0.414SS..SBendtrans-75.6-37.1-168.5-173178.2175.5176-0.3111.9E79R75-E79 PolarHBondContact N-OE2 2.04Å
76N80.4Confident85.2Confident87 Ų8786.2 Ų86.247%0.46544%0.442SS..SBendtrans-133.3161.2-174.5-64-11.7000110.9D78 E79 V80N76-D78 VanDerWaalsContact C-N 3.25Å; N76-D78 PolarHBondContact O-N 2.89Å; N76-E79 WeakPolarHBondContact O-CB 3.31Å; N76-E79 PolarHBondContact O-N 2.92Å; N76-V80 PolarHBondContact O-N 2.89Å
77E84.2Confident85.2Confident142 Ų14286.2 Ų86.266%0.66445%0.447SS*.Hα-helixtrans-58.8-33.2174.5-170.6163.5-165.600112.9E79 V80 Q81E77-E79 VanDerWaalsContact C-N 3.33Å; E77-E79 PolarHBondContact O-N 2.77Å; E77-V80 CarbonylContact O-C 3.59Å; E77-V80 WeakPolarHBondContact O-CA 3.4Å; E77-V80 VanDerWaalsContact O-CB 3.26Å; E77-V80 WeakPolarHBondContact O-CB 3.42Å; E77-V80 PolarHBondContact O-N 2.98Å; E77-Q81 PolarHBondContact O-N 3Å
78D85.8Confident85.1Confident113 Ų11388.9 Ų88.960%0.60447%0.474SS*.Hα-helixtrans-62.2-39173.4-62-34.5000112.4N76 V80 Q81 V82N76-D78 VanDerWaalsContact C-N 3.25Å; N76-D78 PolarHBondContact O-N 2.89Å; D78-V80 VanDerWaalsContact C-N 3.29Å; D78-V80 PolarHBondContact O-N 3.35Å; D78-Q81 PolarHBondContact O-N 3.42Å; D78-V82 WeakPolarHBondContact O-CG2 2.99Å; D78-V82 PolarHBondContact O-N 2.74Å
79E85.7Confident85.2Confident91 Ų9187.8 Ų87.843%0.42547%0.467SS..Hα-helixtrans-68.6-32.5174.5-73.4-171.816900111.1L74 R75 N76 E77 H83L74-E79 HydrophobicContact CB-CB 4.12Å; L74-E79 HydrophobicContact CD2-CB 4.02Å; R75-E79 PolarHBondContact N-OE2 2.04Å; N76-E79 WeakPolarHBondContact O-CB 3.31Å; N76-E79 PolarHBondContact O-N 2.92Å; E77-E79 VanDerWaalsContact C-N 3.33Å; E77-E79 PolarHBondContact O-N 2.77Å; E79-H83 WeakPolarHBondContact O-CB 3.29Å; E79-H83 PolarHBondContact O-N 2.77Å
80V84.8Confident85.2Confident21 Ų2189 Ų8913%0.12748%0.477CS..Hα-helixtrans-62.3-45.2171.6175.50000110.9Y65 L74 N76 E77 D78 H83 S84 Y92Y65-V80 HydrophobicContact CD2-CG2 3.92Å; Y65-V80 HydrophobicContact CG-CG2 4Å; L74-V80 HydrophobicContact CB-CG2 3.85Å; L74-V80 HydrophobicContact CD1-CB 4.44Å; L74-V80 HydrophobicContact CD1-CG2 3.88Å; L74-V80 HydrophobicContact CG-CG2 4.48Å; N76-V80 PolarHBondContact O-N 2.89Å; E77-V80 CarbonylContact O-C 3.59Å; E77-V80 WeakPolarHBondContact O-CA 3.4Å; E77-V80 VanDerWaalsContact O-CB 3.26Å; E77-V80 WeakPolarHBondContact O-CB 3.42Å; E77-V80 PolarHBondContact O-N 2.98Å; D78-V80 VanDerWaalsContact C-N 3.29Å; D78-V80 PolarHBondContact O-N 3.35Å; V80-H83 PolarHBondContact O-N 2.93Å; V80-S84 WeakPolarHBondContact O-CB 3.21Å; V80-S84 PolarHBondContact O-N 3.21Å; V80-Y92 HydrophobicContact CB-CE1 4.49Å; V80-Y92 HydrophobicContact CG1-CD1 3.75Å; V80-Y92 HydrophobicContact CG1-CD2 3.55Å; V80-Y92 HydrophobicContact CG1-CE1 3.75Å; V80-Y92 HydrophobicContact CG1-CE2 3.56Å; V80-Y92 HydrophobicContact CG1-CG 3.65Å; V80-Y92 HydrophobicContact CG2-CD1 4.27Å; V80-Y92 PolarHBondContact O-OH 2.92Å
81Q87.2Confident85.2Confident139 Ų13990.7 Ų90.765%0.6548%0.482SS*.Hα-helixtrans-65-44.8177.5-168.3178.312.700112E77 D78 S84 A85E77-Q81 PolarHBondContact O-N 3Å; D78-Q81 PolarHBondContact O-N 3.42Å; Q81-S84 PolarHBondContact O-N 3.3Å; Q81-A85 WeakPolarHBondContact O-CB 3.45Å; Q81-A85 PolarHBondContact O-N 3.24Å
82V89.1Confident85.4Confident99 Ų9987.4 Ų87.460%0.646%0.461SS*.Hα-helixtrans-66.5-39177.51740000111.5D78 A85 R86D78-V82 WeakPolarHBondContact O-CG2 2.99Å; D78-V82 PolarHBondContact O-N 2.74Å; V82-A85 PolarHBondContact O-N 2.94Å; V82-R86 VanDerWaalsContact O-CB 3.31Å; V82-R86 WeakPolarHBondContact O-CB 3.28Å; V82-R86 PolarHBondContact O-N 3.39Å
83H87.5Confident85.6Confident29 Ų2983 Ų8313%0.13445%0.446CS..Hα-helixtrans-65-50.1174.9-173.181.5000110.6C70 L74 E79 V80 A85 R86 T87 H89 Y92C70-H83 PolarHBondContact SG-CE1 3.44Å; C70-H83 PolarHBondContact SG-NE2 3.4Å; L74-H83 HydrophobicContact CD1-CB 3.91Å; L74-H83 HydrophobicContact CD2-CB 3.75Å; E79-H83 WeakPolarHBondContact O-CB 3.29Å; E79-H83 PolarHBondContact O-N 2.77Å; V80-H83 PolarHBondContact O-N 2.93Å; H83-A85 VanDerWaalsContact C-N 3.27Å; H83-A85 PolarHBondContact O-N 3.38Å; H83-R86 PolarHBondContact O-N 3.46Å; H83-T87 PolarHBondContact CD2-OG1 3Å; H83-T87 VanDerWaalsContact CE1-CG2 3.47Å; H83-T87 WeakPolarHBondContact CE1-CG2 3.48Å; H83-T87 PolarHBondContact NE2-OG1 3.01Å; H83-T87 PolarHBondContact O-N 2.81Å; H83-T87 PolarHBondContact O-OG1 3.27Å; H83-H89 AromaticContact NE2-ND1 3.53Å; H83-Y92 AromaticContact CD2-CE1 3.96Å; H83-Y92 PolarHBondContact CD2-OH 3.23Å
84S88Confident85.5Confident41 Ų4186.3 Ų86.329%0.28745%0.454SS..Hα-helixtrans-53.6-43.5175.1-171.40000111.8V80 Q81 G88 H89 Y92V80-S84 WeakPolarHBondContact O-CB 3.21Å; V80-S84 PolarHBondContact O-N 3.21Å; Q81-S84 PolarHBondContact O-N 3.3Å; S84-G88 WeakPolarHBondContact O-CA 3.25Å; S84-G88 PolarHBondContact O-N 2.88Å; S84-H89 PolarHBondContact OG-O 3.44Å; S84-Y92 WeakPolarHBondContact CA-OH 3.16Å; S84-Y92 WeakPolarHBondContact CB-OH 3.35Å; S84-Y92 PolarHBondContact N-OH 2.89Å; S84-Y92 VanDerWaalsContact N-OH 3.1Å
85A89.8Confident84.6Confident92 Ų9287.1 Ų87.176%0.7646%0.46SS*.Hα-helixtrans-68.4-34.6177.200000113.5Q81 V82 H83Q81-A85 WeakPolarHBondContact O-CB 3.45Å; Q81-A85 PolarHBondContact O-N 3.24Å; V82-A85 PolarHBondContact O-N 2.94Å; H83-A85 VanDerWaalsContact C-N 3.27Å; H83-A85 PolarHBondContact O-N 3.38Å
86R90Very high83.8Confident220 Ų22086.4 Ų86.483%0.8348%0.475SS*.Hα-helixtrans-86.9-35.1-176.4-173.5172.7178.21580.7113.7V82 H83V82-R86 VanDerWaalsContact O-CB 3.31Å; V82-R86 WeakPolarHBondContact O-CB 3.28Å; V82-R86 PolarHBondContact O-N 3.39Å; H83-R86 PolarHBondContact O-N 3.46Å
87T87.8Confident82.6Confident61 Ų6187.5 Ų87.537%0.37448%0.481SS..Hα-helixtrans-109.6-19.6-175.861.90000113.3H83 H89H83-T87 PolarHBondContact CD2-OG1 3Å; H83-T87 VanDerWaalsContact CE1-CG2 3.47Å; H83-T87 WeakPolarHBondContact CE1-CG2 3.48Å; H83-T87 PolarHBondContact NE2-OG1 3.01Å; H83-T87 PolarHBondContact O-N 2.81Å; H83-T87 PolarHBondContact O-OG1 3.27Å; T87-H89 VanDerWaalsContact C-N 3.33Å
88G84Confident81Confident55 Ų5585 Ų8557%0.56749%0.485SS*.  trans77.813.5-178.500000114.4S84S84-G88 WeakPolarHBondContact O-CA 3.25Å; S84-G88 PolarHBondContact O-N 2.88Å
89H89.6Confident79.4Confident50 Ų5082 Ų8223%0.23147%0.47CS..  trans-83.8142.4-179.8-58.3167.5000111.3C67 D69 H83 S84 T87 Y92C67-H89 WeakPolarHBondContact SG-CB 3.13Å; C67-H89 PolarHBondContact SG-ND1 2.91Å; C67-H89 VanDerWaalsContact SG-ND1 3.42Å; D69-H89 HydrophobicContact CB-CB 4.07Å; D69-H89 IonicContact OD2-CG 2.84Å; H83-H89 AromaticContact NE2-ND1 3.53Å; S84-H89 PolarHBondContact OG-O 3.44Å; T87-H89 VanDerWaalsContact C-N 3.33Å; H89-Y92 VanDerWaalsContact O-CE2 3.23Å; H89-Y92 WeakPolarHBondContact O-CE2 3.24Å; H89-Y92 VanDerWaalsContact O-CZ 3.23Å; H89-Y92 PolarHBondContact O-OH 2.85Å
90V84.7Confident77.8Confident107 Ų10783.3 Ų83.365%0.64849%0.49SS*.  trans-125.1-15.2-175.6-63.20000113.6Y92V90-Y92 WeakPolarHBondContact O-CD2 3.46Å; V90-Y92 PolarHBondContact O-N 3.23Å
91N85.5Confident76.4Confident87 Ų8786 Ų8647%0.46551%0.51SS..  trans-86.199178-65.5-34.3000109D68 D69D68-N91 HydrophobicContact CB-CB 4.08Å; D68-N91 PolarHBondContact N-O 2.9Å; D69-N91 PolarHBondContact OD1-ND2 3.34Å
92Y84.1Confident74.9Confident52 Ų5283 Ų8320%0.20450%0.497CS..EExtended strand (participates in β ladder)trans-112.5124.5173-57.6-82000108.9K66 C67 L74 V80 H83 S84 H89 V90K66-Y92 CarbonylContact O-C 3.48Å; K66-Y92 VanDerWaalsContact O-CA 3.22Å; K66-Y92 WeakPolarHBondContact O-CA 2.98Å; C67-Y92 HydrophobicContact CB-CD1 3.87Å; C67-Y92 HydrophobicContact CB-CE1 3.73Å; L74-Y92 HydrophobicContact CD1-CD1 3.76Å; L74-Y92 HydrophobicContact CD1-CE1 3.46Å; L74-Y92 VanDerWaalsContact CD1-CE1 3.46Å; V80-Y92 HydrophobicContact CB-CE1 4.49Å; V80-Y92 HydrophobicContact CG1-CD1 3.75Å; V80-Y92 HydrophobicContact CG1-CD2 3.55Å; V80-Y92 HydrophobicContact CG1-CE1 3.75Å; V80-Y92 HydrophobicContact CG1-CE2 3.56Å; V80-Y92 HydrophobicContact CG1-CG 3.65Å; V80-Y92 HydrophobicContact CG2-CD1 4.27Å; V80-Y92 PolarHBondContact O-OH 2.92Å; H83-Y92 AromaticContact CD2-CE1 3.96Å; H83-Y92 PolarHBondContact CD2-OH 3.23Å; S84-Y92 WeakPolarHBondContact CA-OH 3.16Å; S84-Y92 WeakPolarHBondContact CB-OH 3.35Å; S84-Y92 PolarHBondContact N-OH 2.89Å; S84-Y92 VanDerWaalsContact N-OH 3.1Å; H89-Y92 VanDerWaalsContact O-CE2 3.23Å; H89-Y92 WeakPolarHBondContact O-CE2 3.24Å; H89-Y92 VanDerWaalsContact O-CZ 3.23Å; H89-Y92 PolarHBondContact O-OH 2.85Å; V90-Y92 WeakPolarHBondContact O-CD2 3.46Å; V90-Y92 PolarHBondContact O-N 3.23Å
93S84.2Confident74.2Confident35 Ų3581.8 Ų81.825%0.24549%0.491CS..EExtended strand (participates in β ladder)trans-107.9138.5173.357.60000110.1K66 D68 C95K66-S93 WeakPolarHBondContact CE-OG 3.37Å; K66-S93 WeakPolarHBondContact CG-O 3.42Å; K66-S93 WeakPolarHBondContact CG-OG 3.46Å; K66-S93 PolarHBondContact N-O 3.13Å; K66-S93 PolarHBondContact O-N 2.94Å; D68-S93 VanDerWaalsContact CG-OG 3.27Å; D68-S93 PolarHBondContact OD1-OG 3.07Å; D68-S93 WeakPolarHBondContact OD2-CB 3.28Å; D68-S93 PolarHBondContact OD2-OG 2.96Å; S93-C95 PolarHBondContact O-N 3.35Å; S93-C95 VanDerWaalsContact O-N 3.15Å
94Q78.8Confident73.7Confident149 Ų14987 Ų8770%0.69652%0.515SS*.EExtended strand (participates in β ladder)trans-65.7113.7175.457.7-17852.100108.5
95C63.9Low73.5Confident26 Ų2689.4 Ų89.418%0.17653%0.525CS..EExtended strand (participates in β ladder)trans-106.8112.5172-131.80000106.2S64 K66 S93 D97S64-C95 PolarHBondContact O-N 3.11Å; S64-C95 VanDerWaalsContact O-O 3.05Å; S64-C95 PolarHBondContact OG-O 3.09Å; K66-C95 HydrophobicContact CB-CB 4.28Å; K66-C95 HydrophobicContact CD-CB 4.22Å; K66-C95 HydrophobicContact CG-CB 4.07Å; S93-C95 PolarHBondContact O-N 3.35Å; S93-C95 VanDerWaalsContact O-N 3.15Å; C95-D97 PolarHBondContact O-N 3.4Å; C95-D97 PolarHBondContact SG-OD2 3.35Å
96S63.6Low73.5Confident118 Ų11889.5 Ų89.583%0.82551%0.509SS*.  trans-73.317.8173.863.80000112.7A98S96-A98 VanDerWaalsContact C-N 3.29Å; S96-A98 PolarHBondContact O-N 3.5Å
97D55.4Low73.1Confident110 Ų11085.5 Ų85.559%0.58849%0.494SS*.  trans-69.395.9172.4-71.9-41.9000107.1S64 C95 V99S64-D97 PolarHBondContact OG-O 3.01Å; C95-D97 PolarHBondContact O-N 3.4Å; C95-D97 PolarHBondContact SG-OD2 3.35Å; D97-V99 PolarHBondContact O-N 2.95Å
98A51.7Low73Confident91 Ų9189.7 Ų89.775%0.75250%0.503SS*.  trans-37.9109.3169.900000108.5S96 S100S96-A98 VanDerWaalsContact C-N 3.29Å; S96-A98 PolarHBondContact O-N 3.5Å; A98-S100 PolarHBondContact O-N 2.98Å; A98-S100 VanDerWaalsContact O-N 3.16Å
99V52.3Low73.4Confident48 Ų4893.1 Ų93.129%0.29151%0.505SS..  trans-8.5109.9169-171.80000109.8D97 S101D97-V99 PolarHBondContact O-N 2.95Å; V99-S101 PolarHBondContact O-N 3.34Å
100S52.7Low73.3Confident119 Ų11996.1 Ų96.183%0.83252%0.519SS*.  trans-64.475.5154.2-440000105.7A98 L102A98-S100 PolarHBondContact O-N 2.98Å; A98-S100 VanDerWaalsContact O-N 3.16Å; S100-L102 VanDerWaalsContact C-N 3.26Å; S100-L102 PolarHBondContact O-N 3.46Å
101S54.9Low73.1Confident79 Ų7997 Ų9755%0.55252%0.517SS*.  trans-57.4104.1165.948.40000101.9V99 T103V99-S101 PolarHBondContact O-N 3.34Å; S101-T103 VanDerWaalsContact C-N 3.34Å; S101-T103 PolarHBondContact O-N 3.41Å
102L55.9Low73.5Confident74 Ų7499.2 Ų99.239%0.38753%0.525SS..  trans-38.7116.7153.1-79.384.6000103.9S100 E104 E106 R107S100-L102 VanDerWaalsContact C-N 3.26Å; S100-L102 PolarHBondContact O-N 3.46Å; L102-E104 PolarHBondContact O-N 2.88Å; L102-E106 VanDerWaalsContact CA-OE2 3.22Å; L102-E106 WeakPolarHBondContact CA-OE2 3.35Å; L102-E106 HydrophobicContact CB-CB 4.22Å; L102-R107 HydrophobicContact CB-CG 3.83Å
103T74.5Confident74Confident75 Ų75102 Ų10246%0.4654%0.538SS..  trans-49.2146.8-165.4-56.40000107.3S101 D105 E106 R107S101-T103 VanDerWaalsContact C-N 3.34Å; S101-T103 PolarHBondContact O-N 3.41Å; T103-D105 HydrophobicContact CG2-CB 4.25Å; T103-D105 CarbonylContact O-C 3.5Å; T103-D105 PolarHBondContact O-N 3.12Å; T103-E106 PolarHBondContact N-OE2 3.1Å; T103-E106 PolarHBondContact O-N 3.09Å; T103-R107 PolarHBondContact O-N 2.88Å; T103-R107 VanDerWaalsContact O-N 3.08Å
104E77Confident74.5Confident139 Ų139104.9 Ų104.965%0.6555%0.55SS**Hα-helixtrans-46.9-31.6179.8-66.1-171.1170.500111.8L102 R108L102-E104 PolarHBondContact O-N 2.88Å; E104-R108 WeakPolarHBondContact O-CB 3.43Å; E104-R108 WeakPolarHBondContact O-CD 3.35Å; E104-R108 WeakPolarHBondContact O-CG 3.31Å; E104-R108 PolarHBondContact O-N 2.91Å; E104-R108 VanDerWaalsContact O-N 3.08Å; E104-R108 IonicContact OE2-NH2 2.93Å; E104-R108 PolarHBondContact OE2-NH2 2.92Å
105D84Confident75.1Confident91 Ų91102.4 Ų102.449%0.48754%0.539SS..Hα-helixtrans-66.6-47.9172-59.9-33.4000114.4T103 R107 R108 E109T103-D105 HydrophobicContact CG2-CB 4.25Å; T103-D105 CarbonylContact O-C 3.5Å; T103-D105 PolarHBondContact O-N 3.12Å; D105-R107 VanDerWaalsContact C-N 3.32Å; D105-R107 PolarHBondContact O-N 3.41Å; D105-R108 CarbonylContact O-C 3.46Å; D105-R108 WeakPolarHBondContact O-CB 3.45Å; D105-R108 PolarHBondContact O-N 3.02Å; D105-R108 VanDerWaalsContact O-N 3.11Å; D105-R108 IonicContact OD1-NH1 3.05Å; D105-E109 WeakPolarHBondContact O-CG 3.37Å; D105-E109 PolarHBondContact O-N 3.5Å
106E88.4Confident76.6Confident93 Ų93106.3 Ų106.344%0.43555%0.554SS.*Hα-helixtrans-63.7-36.4177-66177.5133.600112.2L102 T103 R108 E109 Q110L102-E106 VanDerWaalsContact CA-OE2 3.22Å; L102-E106 WeakPolarHBondContact CA-OE2 3.35Å; L102-E106 HydrophobicContact CB-CB 4.22Å; T103-E106 PolarHBondContact N-OE2 3.1Å; T103-E106 PolarHBondContact O-N 3.09Å; E106-R108 VanDerWaalsContact C-N 3.35Å; E106-E109 PolarHBondContact O-N 3Å; E106-Q110 WeakPolarHBondContact O-CB 3.24Å; E106-Q110 WeakPolarHBondContact O-CG 3.39Å; E106-Q110 PolarHBondContact O-N 3.32Å
107R82.8Confident78.1Confident136 Ų136105.4 Ų105.451%0.51354%0.539SS..Hα-helixtrans-66.3-39.2173.6-73.3-76.2-67-140.7-1.5111.1L102 T103 D105 M111L102-R107 HydrophobicContact CB-CG 3.83Å; T103-R107 PolarHBondContact O-N 2.88Å; T103-R107 VanDerWaalsContact O-N 3.08Å; D105-R107 VanDerWaalsContact C-N 3.32Å; D105-R107 PolarHBondContact O-N 3.41Å; R107-M111 WeakPolarHBondContact O-CB 3.43Å; R107-M111 WeakPolarHBondContact O-CG 3.41Å; R107-M111 PolarHBondContact O-N 2.93Å
108R85.8Confident80.1Confident150 Ų150105.4 Ų105.457%0.56654%0.539SS*.Hα-helixtrans-65.9-43.6174.2-74.7167.9-168.61729.5111.1E104 D105 E106 M111 E112E104-R108 WeakPolarHBondContact O-CB 3.43Å; E104-R108 WeakPolarHBondContact O-CD 3.35Å; E104-R108 WeakPolarHBondContact O-CG 3.31Å; E104-R108 PolarHBondContact O-N 2.91Å; E104-R108 VanDerWaalsContact O-N 3.08Å; E104-R108 IonicContact OE2-NH2 2.93Å; E104-R108 PolarHBondContact OE2-NH2 2.92Å; D105-R108 CarbonylContact O-C 3.46Å; D105-R108 WeakPolarHBondContact O-CB 3.45Å; D105-R108 PolarHBondContact O-N 3.02Å; D105-R108 VanDerWaalsContact O-N 3.11Å; D105-R108 IonicContact OD1-NH1 3.05Å; E106-R108 VanDerWaalsContact C-N 3.35Å; R108-M111 PolarHBondContact O-N 2.81Å; R108-E112 VanDerWaalsContact O-CB 3.3Å; R108-E112 WeakPolarHBondContact O-CB 3.46Å; R108-E112 PolarHBondContact O-N 2.87Å
109E91.8Very high82.2Confident127 Ų127108.6 Ų108.659%0.59353%0.532SS*.Hα-helixtrans-63.4-40.9176.2-73.1178.9-177.900112.2D105 E106 E112 K113D105-E109 WeakPolarHBondContact O-CG 3.37Å; D105-E109 PolarHBondContact O-N 3.5Å; E106-E109 PolarHBondContact O-N 3Å; E109-E112 PolarHBondContact O-N 2.89Å; E109-K113 WeakPolarHBondContact O-CB 3.48Å; E109-K113 PolarHBondContact O-N 3.47Å
110Q87.1Confident84.3Confident113 Ų113108.9 Ų108.953%0.52854%0.539SS..Hα-helixtrans-64.6-41.8174.3-76.3-179.6-5.800111.9E106 L114E106-Q110 WeakPolarHBondContact O-CB 3.24Å; E106-Q110 WeakPolarHBondContact O-CG 3.39Å; E106-Q110 PolarHBondContact O-N 3.32Å; Q110-L114 VanDerWaalsContact O-CB 3.26Å; Q110-L114 WeakPolarHBondContact O-CB 3.29Å; Q110-L114 PolarHBondContact O-N 2.81Å
111M81.5Confident86.4Confident126 Ų126110.5 Ų110.562%0.62153%0.531SS*.Hα-helixtrans-68.2-39176.6-71.4-66.2-73.300111.8R107 R108 L114 Q115R107-M111 WeakPolarHBondContact O-CB 3.43Å; R107-M111 WeakPolarHBondContact O-CG 3.41Å; R107-M111 PolarHBondContact O-N 2.93Å; R108-M111 PolarHBondContact O-N 2.81Å; M111-L114 PolarHBondContact O-N 3.04Å; M111-Q115 VanDerWaalsContact O-CB 3.29Å; M111-Q115 WeakPolarHBondContact O-CB 3.31Å; M111-Q115 PolarHBondContact O-N 3.16Å
112E93.7Very high88.3Confident133 Ų133113.7 Ų113.762%0.62154%0.535SS*.Hα-helixtrans-66.3-44.6174.3-177.1174.5-165.600110.9R108 E109 L114 Q115 E116R108-E112 VanDerWaalsContact O-CB 3.3Å; R108-E112 WeakPolarHBondContact O-CB 3.46Å; R108-E112 PolarHBondContact O-N 2.87Å; E109-E112 PolarHBondContact O-N 2.89Å; E112-L114 VanDerWaalsContact C-N 3.32Å; E112-L114 PolarHBondContact O-N 3.14Å; E112-Q115 CarbonylContact O-C 3.45Å; E112-Q115 WeakPolarHBondContact O-CB 3.39Å; E112-Q115 PolarHBondContact O-N 3.14Å; E112-Q115 VanDerWaalsContact O-N 3.17Å; E112-E116 WeakPolarHBondContact O-CB 3.32Å; E112-E116 PolarHBondContact O-N 2.97Å
113K95.2Very high90.2Very high110 Ų110113.7 Ų113.748%0.47854%0.538SS..Hα-helixtrans-62.4-41.2176.1-172.470.3-160164.50111.6E109 E116 L117E109-K113 WeakPolarHBondContact O-CB 3.48Å; E109-K113 PolarHBondContact O-N 3.47Å; K113-E116 IonicContact NZ-OE2 2.7Å; K113-E116 PolarHBondContact NZ-OE2 3.46Å; K113-E116 PolarHBondContact O-N 3.35Å; K113-L117 HydrophobicContact CG-CD1 4.46Å; K113-L117 WeakPolarHBondContact O-CB 3.36Å; K113-L117 VanDerWaalsContact O-CG 3.3Å; K113-L117 WeakPolarHBondContact O-CG 3.11Å; K113-L117 PolarHBondContact O-N 2.95Å
114L93.2Very high91.2Very high96 Ų96115.3 Ų115.350%0.50354%0.54SS..Hα-helixtrans-65.5-41.7174.9-172.361.6000111Q110 M111 E112 E116 L117 L118Q110-L114 VanDerWaalsContact O-CB 3.26Å; Q110-L114 WeakPolarHBondContact O-CB 3.29Å; Q110-L114 PolarHBondContact O-N 2.81Å; M111-L114 PolarHBondContact O-N 3.04Å; E112-L114 VanDerWaalsContact C-N 3.32Å; E112-L114 PolarHBondContact O-N 3.14Å; L114-E116 VanDerWaalsContact C-N 3.35Å; L114-L117 PolarHBondContact O-N 3.14Å; L114-L118 HydrophobicContact CG-CD1 4.46Å; L114-L118 WeakPolarHBondContact O-CB 3.36Å; L114-L118 VanDerWaalsContact O-CG 3.27Å; L114-L118 WeakPolarHBondContact O-CG 3.48Å; L114-L118 PolarHBondContact O-N 2.91Å
115Q91.4Very high92.2Very high97 Ų97116.3 Ų116.345%0.45354%0.538SS..Hα-helixtrans-64-39175.3-170176.725.300111.9M111 E112 L118 R119M111-Q115 VanDerWaalsContact O-CB 3.29Å; M111-Q115 WeakPolarHBondContact O-CB 3.31Å; M111-Q115 PolarHBondContact O-N 3.16Å; E112-Q115 CarbonylContact O-C 3.45Å; E112-Q115 WeakPolarHBondContact O-CB 3.39Å; E112-Q115 PolarHBondContact O-N 3.14Å; E112-Q115 VanDerWaalsContact O-N 3.17Å; Q115-L118 PolarHBondContact O-N 3.34Å; Q115-R119 WeakPolarHBondContact O-CB 3.4Å; Q115-R119 VanDerWaalsContact O-CG 3.24Å; Q115-R119 WeakPolarHBondContact O-CG 3.49Å; Q115-R119 PolarHBondContact O-N 3.5Å
116E95.4Very high92.7Very high108 Ų108117.9 Ų117.951%0.50554%0.542SS..Hα-helixtrans-65.1-47175.7-170.2-168.1-166.400111.1E112 K113 L114 L118 R119 A120E112-E116 WeakPolarHBondContact O-CB 3.32Å; E112-E116 PolarHBondContact O-N 2.97Å; K113-E116 IonicContact NZ-OE2 2.7Å; K113-E116 PolarHBondContact NZ-OE2 3.46Å; K113-E116 PolarHBondContact O-N 3.35Å; L114-E116 VanDerWaalsContact C-N 3.35Å; E116-L118 VanDerWaalsContact C-N 3.34Å; E116-L118 PolarHBondContact O-N 3.18Å; E116-R119 PolarHBondContact O-N 3.44Å; E116-A120 WeakPolarHBondContact O-CB 3.41Å; E116-A120 PolarHBondContact O-N 3Å
117L96.2Very high93.1Very high98 Ų98119.1 Ų119.151%0.51355%0.548SS..Hα-helixtrans-60.8-41.4175.5-73.3172.3000112.1K113 L114 K121K113-L117 HydrophobicContact CG-CD1 4.46Å; K113-L117 WeakPolarHBondContact O-CB 3.36Å; K113-L117 VanDerWaalsContact O-CG 3.3Å; K113-L117 WeakPolarHBondContact O-CG 3.11Å; K113-L117 PolarHBondContact O-N 2.95Å; L114-L117 PolarHBondContact O-N 3.14Å; L117-K121 VanDerWaalsContact O-CB 3.28Å; L117-K121 WeakPolarHBondContact O-CB 3.42Å; L117-K121 PolarHBondContact O-N 2.8Å
118L96.1Very high93.7Very high111 Ų111117 Ų11758%0.58154%0.544SS*.Hα-helixtrans-65.1-42.3175.8-73.3173.9000111.8L114 Q115 E116 K122L114-L118 HydrophobicContact CG-CD1 4.46Å; L114-L118 WeakPolarHBondContact O-CB 3.36Å; L114-L118 VanDerWaalsContact O-CG 3.27Å; L114-L118 WeakPolarHBondContact O-CG 3.48Å; L114-L118 PolarHBondContact O-N 2.91Å; Q115-L118 PolarHBondContact O-N 3.34Å; E116-L118 VanDerWaalsContact C-N 3.34Å; E116-L118 PolarHBondContact O-N 3.18Å; L118-K122 VanDerWaalsContact O-CB 3.27Å; L118-K122 WeakPolarHBondContact O-CB 3.2Å; L118-K122 PolarHBondContact O-N 2.84Å
119R95.6Very high94.1Very high158 Ų158114.5 Ų114.560%0.59654%0.539SS*.Hα-helixtrans-64.1-46.4175.9-74.7173.4-177.4-176.24.9111.3Q115 E116 K122 T123Q115-R119 WeakPolarHBondContact O-CB 3.4Å; Q115-R119 VanDerWaalsContact O-CG 3.24Å; Q115-R119 WeakPolarHBondContact O-CG 3.49Å; Q115-R119 PolarHBondContact O-N 3.5Å; E116-R119 PolarHBondContact O-N 3.44Å; R119-K122 PolarHBondContact O-N 2.89Å; R119-T123 PolarHBondContact O-N 3.18Å; R119-T123 PolarHBondContact O-OG1 3.45Å
120A96.5Very high94.4Very high53 Ų53114.9 Ų114.944%0.43854%0.539SS..Hα-helixtrans-62.1-44.2177.900000112.3E116 K122 T123 E124E116-A120 WeakPolarHBondContact O-CB 3.41Å; E116-A120 PolarHBondContact O-N 3Å; A120-K122 VanDerWaalsContact C-N 3.31Å; A120-K122 PolarHBondContact O-N 2.85Å; A120-T123 PolarHBondContact O-N 2.61Å; A120-T123 PolarHBondContact O-OG1 3.34Å; A120-E124 WeakPolarHBondContact O-CB 3.23Å; A120-E124 PolarHBondContact O-N 3.36Å
121K96.9Very high94.7Very high153 Ų153115.7 Ų115.767%0.66554%0.543SS*.Hα-helixtrans-66.7-33.4176.3-169.9173.3-174.6174.10112.4L117 R125L117-K121 VanDerWaalsContact O-CB 3.28Å; L117-K121 WeakPolarHBondContact O-CB 3.42Å; L117-K121 PolarHBondContact O-N 2.8Å; K121-R125 VanDerWaalsContact O-CB 3.28Å; K121-R125 WeakPolarHBondContact O-CB 3.47Å; K121-R125 PolarHBondContact O-N 2.89Å
122K96Very high95.4Very high147 Ų147115 Ų11564%0.63954%0.538SS*.Hα-helixtrans-67.7-46175.7-176.2179.1177.5-1780111.5L118 R119 A120 R125 E126L118-K122 VanDerWaalsContact O-CB 3.27Å; L118-K122 WeakPolarHBondContact O-CB 3.2Å; L118-K122 PolarHBondContact O-N 2.84Å; R119-K122 PolarHBondContact O-N 2.89Å; A120-K122 VanDerWaalsContact C-N 3.31Å; A120-K122 PolarHBondContact O-N 2.85Å; K122-R125 PolarHBondContact O-N 2.73Å; K122-E126 WeakPolarHBondContact O-CB 3.46Å; K122-E126 PolarHBondContact O-N 3.46Å
123T95.3Very high95.5Very high74 Ų74115.3 Ų115.345%0.45454%0.539SS..Hα-helixtrans-65.7-40.9178.552.40000111.5R119 A120 R125 E126 E127R119-T123 PolarHBondContact O-N 3.18Å; R119-T123 PolarHBondContact O-OG1 3.45Å; A120-T123 PolarHBondContact O-N 2.61Å; A120-T123 PolarHBondContact O-OG1 3.34Å; T123-R125 PolarHBondContact O-N 2.8Å; T123-E126 PolarHBondContact O-N 2.95Å; T123-E127 WeakPolarHBondContact O-CB 3.5Å; T123-E127 VanDerWaalsContact O-CG 3.28Å; T123-E127 WeakPolarHBondContact O-CG 3.35Å; T123-E127 PolarHBondContact O-N 3.24Å
124E96.2Very high95.6Very high108 Ų108114.6 Ų114.651%0.50554%0.539SS..Hα-helixtrans-61-44.5174.3-176.8-174.3-178.200111.5A120 E127 Q128A120-E124 WeakPolarHBondContact O-CB 3.23Å; A120-E124 PolarHBondContact O-N 3.36Å; E124-E127 PolarHBondContact O-N 2.98Å; E124-Q128 VanDerWaalsContact O-CG 3.31Å; E124-Q128 WeakPolarHBondContact O-CG 3.48Å; E124-Q128 PolarHBondContact O-N 3.35Å; E124-Q128 PolarHBondContact OE1-NE2 3.15Å
125R96.7Very high95.8Very high160 Ų160116.4 Ų116.460%0.60455%0.546SS*.Hα-helixtrans-63.2-43.4176.5-178.7175176.9165.74.1112.3K121 K122 T123 E127 Q128 E129K121-R125 VanDerWaalsContact O-CB 3.28Å; K121-R125 WeakPolarHBondContact O-CB 3.47Å; K121-R125 PolarHBondContact O-N 2.89Å; K122-R125 PolarHBondContact O-N 2.73Å; T123-R125 PolarHBondContact O-N 2.8Å; R125-E127 VanDerWaalsContact C-N 3.34Å; R125-Q128 PolarHBondContact O-N 3.07Å; R125-E129 HydrophobicContact CG-CG 4.43Å; R125-E129 WeakPolarHBondContact CG-OE1 3.44Å; R125-E129 IonicContact CZ-OE1 3.91Å; R125-E129 IonicContact NE-OE1 3.64Å; R125-E129 PolarHBondContact NE-OE1 2.96Å; R125-E129 IonicContact NH2-OE1 3.9Å; R125-E129 WeakPolarHBondContact O-CB 3.41Å; R125-E129 WeakPolarHBondContact O-CG 3.39Å; R125-E129 PolarHBondContact O-N 3.45Å
126E95.6Very high96Very high124 Ų124120.5 Ų120.558%0.57956%0.557SS**Hα-helixtrans-63.9-39.2176.6-174.8-179.9166.500111.6K122 T123 K130K122-E126 WeakPolarHBondContact O-CB 3.46Å; K122-E126 PolarHBondContact O-N 3.46Å; T123-E126 PolarHBondContact O-N 2.95Å; E126-K130 VanDerWaalsContact O-CB 3.24Å; E126-K130 WeakPolarHBondContact O-CB 3.41Å; E126-K130 PolarHBondContact O-N 3.44Å
127E96.6Very high96Very high119 Ų119118.3 Ų118.356%0.55655%0.547SS*.Hα-helixtrans-65.2-40.9174.4-74.3174.3179.500112.3T123 E124 R125 Q131T123-E127 WeakPolarHBondContact O-CB 3.5Å; T123-E127 VanDerWaalsContact O-CG 3.28Å; T123-E127 WeakPolarHBondContact O-CG 3.35Å; T123-E127 PolarHBondContact O-N 3.24Å; E124-E127 PolarHBondContact O-N 2.98Å; R125-E127 VanDerWaalsContact C-N 3.34Å; E127-Q131 WeakPolarHBondContact O-CB 3.45Å; E127-Q131 VanDerWaalsContact O-CG 3.24Å; E127-Q131 WeakPolarHBondContact O-CG 3.35Å; E127-Q131 PolarHBondContact O-N 2.65Å
128Q94.7Very high96.1Very high92 Ų92119.6 Ų119.643%0.4355%0.548SS..Hα-helixtrans-65-48.3174.4-72.5175.115.800111.5E124 R125 K130 Q131 E132E124-Q128 VanDerWaalsContact O-CG 3.31Å; E124-Q128 WeakPolarHBondContact O-CG 3.48Å; E124-Q128 PolarHBondContact O-N 3.35Å; E124-Q128 PolarHBondContact OE1-NE2 3.15Å; R125-Q128 PolarHBondContact O-N 3.07Å; Q128-K130 VanDerWaalsContact C-N 3.29Å; Q128-K130 PolarHBondContact O-N 3.28Å; Q128-Q131 PolarHBondContact O-N 2.97Å; Q128-Q131 VanDerWaalsContact O-N 3.11Å; Q128-E132 WeakPolarHBondContact O-CG 3.17Å; Q128-E132 PolarHBondContact O-N 3.21Å
129E95.5Very high96.1Very high98 Ų98120.2 Ų120.246%0.45855%0.546SS..Hα-helixtrans-59.8-40.2177.4-73.5175.3-171.600111.2R125 E132 E133R125-E129 HydrophobicContact CG-CG 4.43Å; R125-E129 WeakPolarHBondContact CG-OE1 3.44Å; R125-E129 IonicContact CZ-OE1 3.91Å; R125-E129 IonicContact NE-OE1 3.64Å; R125-E129 PolarHBondContact NE-OE1 2.96Å; R125-E129 IonicContact NH2-OE1 3.9Å; R125-E129 WeakPolarHBondContact O-CB 3.41Å; R125-E129 WeakPolarHBondContact O-CG 3.39Å; R125-E129 PolarHBondContact O-N 3.45Å; E129-E132 PolarHBondContact O-N 3.13Å; E129-E133 WeakPolarHBondContact O-CB 3.33Å; E129-E133 PolarHBondContact O-N 2.9Å
130K96.4Very high96.1Very high134 Ų134119.7 Ų119.758%0.58354%0.544SS*.Hα-helixtrans-66.1-40174-174.3176.9-178.1178.10112.7E126 Q128 E133 I134E126-K130 VanDerWaalsContact O-CB 3.24Å; E126-K130 WeakPolarHBondContact O-CB 3.41Å; E126-K130 PolarHBondContact O-N 3.44Å; Q128-K130 VanDerWaalsContact C-N 3.29Å; Q128-K130 PolarHBondContact O-N 3.28Å; K130-E133 PolarHBondContact O-N 3.05Å; K130-I134 HydrophobicContact CG-CD1 4.1Å; K130-I134 WeakPolarHBondContact O-CB 3.24Å; K130-I134 WeakPolarHBondContact O-CD1 3.42Å; K130-I134 WeakPolarHBondContact O-CG1 3.32Å; K130-I134 PolarHBondContact O-N 3.06Å
131Q94.8Very high96.1Very high131 Ų131124.8 Ų124.861%0.61255%0.552SS**Hα-helixtrans-65.4-43.3175.5-76.3176.621.700111.5E127 Q128 E133 I134 E135E127-Q131 WeakPolarHBondContact O-CB 3.45Å; E127-Q131 VanDerWaalsContact O-CG 3.24Å; E127-Q131 WeakPolarHBondContact O-CG 3.35Å; E127-Q131 PolarHBondContact O-N 2.65Å; Q128-Q131 PolarHBondContact O-N 2.97Å; Q128-Q131 VanDerWaalsContact O-N 3.11Å; Q131-E133 VanDerWaalsContact C-N 3.34Å; Q131-I134 PolarHBondContact O-N 2.86Å; Q131-E135 WeakPolarHBondContact O-CB 3.36Å; Q131-E135 PolarHBondContact O-N 3.39Å
132E95.7Very high96Very high112 Ų112122.4 Ų122.452%0.52354%0.543SS..Hα-helixtrans-64.7-37.4175.8-72.3-176.3-172.900112.1Q128 E129 E135 R136Q128-E132 WeakPolarHBondContact O-CG 3.17Å; Q128-E132 PolarHBondContact O-N 3.21Å; E129-E132 PolarHBondContact O-N 3.13Å; E132-E135 PolarHBondContact O-N 2.89Å; E132-R136 WeakPolarHBondContact O-CB 3.19Å; E132-R136 PolarHBondContact O-N 2.79Å
133E96Very high96Very high138 Ų138120.5 Ų120.565%0.64554%0.537SS*.Hα-helixtrans-63.8-47.2173.6-173.8175.6-170.300111E129 K130 Q131 E135 R136 E137E129-E133 WeakPolarHBondContact O-CB 3.33Å; E129-E133 PolarHBondContact O-N 2.9Å; K130-E133 PolarHBondContact O-N 3.05Å; Q131-E133 VanDerWaalsContact C-N 3.34Å; E133-E135 VanDerWaalsContact C-N 3.34Å; E133-E135 PolarHBondContact O-N 3.13Å; E133-R136 PolarHBondContact O-N 3.5Å; E133-E137 WeakPolarHBondContact O-CB 3.49Å; E133-E137 PolarHBondContact O-N 2.74Å
134I97.3Very high95.9Very high95 Ų95120.9 Ų120.949%0.48754%0.542SS..Hα-helixtrans-62-41.1176.1-68.4165.6000110.9K130 Q131 E137 K138K130-I134 HydrophobicContact CG-CD1 4.1Å; K130-I134 WeakPolarHBondContact O-CB 3.24Å; K130-I134 WeakPolarHBondContact O-CD1 3.42Å; K130-I134 WeakPolarHBondContact O-CG1 3.32Å; K130-I134 PolarHBondContact O-N 3.06Å; Q131-I134 PolarHBondContact O-N 2.86Å; I134-E137 PolarHBondContact O-N 2.95Å; I134-K138 WeakPolarHBondContact O-CB 3.44Å; I134-K138 PolarHBondContact O-N 2.91Å
135E96Very high95.9Very high135 Ų135123.3 Ų123.363%0.63155%0.551SS**Hα-helixtrans-67.1-44.2177.9-172.2-179.1170.100111.6Q131 E132 E133 E137 K138 K139Q131-E135 WeakPolarHBondContact O-CB 3.36Å; Q131-E135 PolarHBondContact O-N 3.39Å; E132-E135 PolarHBondContact O-N 2.89Å; E133-E135 VanDerWaalsContact C-N 3.34Å; E133-E135 PolarHBondContact O-N 3.13Å; E135-E137 VanDerWaalsContact C-N 3.3Å; E135-E137 PolarHBondContact O-N 3.38Å; E135-K138 PolarHBondContact O-N 2.92Å; E135-K139 WeakPolarHBondContact O-CB 3.38Å; E135-K139 PolarHBondContact O-N 3.29Å
136R96.3Very high95.9Very high183 Ų183119.5 Ų119.569%0.69155%0.546SS*.Hα-helixtrans-60.7-42.6175.3-172.5-176.5-57.7-128.61.4110.8E132 E133 K139 R140E132-R136 WeakPolarHBondContact O-CB 3.19Å; E132-R136 PolarHBondContact O-N 2.79Å; E133-R136 PolarHBondContact O-N 3.5Å; R136-K139 PolarHBondContact O-N 3.44Å; R136-R140 PolarHBondContact O-N 2.72Å
137E96.2Very high95.9Very high62 Ų62119.1 Ų119.129%0.2955%0.547SS..Hα-helixtrans-65.4-43.9175.4-152.3-156.9156.100111.8E133 I134 E135 K139 R140 R141E133-E137 WeakPolarHBondContact O-CB 3.49Å; E133-E137 PolarHBondContact O-N 2.74Å; I134-E137 PolarHBondContact O-N 2.95Å; E135-E137 VanDerWaalsContact C-N 3.3Å; E135-E137 PolarHBondContact O-N 3.38Å; E137-K139 VanDerWaalsContact C-N 3.34Å; E137-K139 PolarHBondContact O-N 3.08Å; E137-R140 VanDerWaalsContact CG-CZ 3.48Å; E137-R140 WeakPolarHBondContact O-CB 3.42Å; E137-R140 PolarHBondContact O-N 2.9Å; E137-R140 IonicContact OE1-NH2 3.26Å; E137-R140 PolarHBondContact OE1-NH2 3.2Å; E137-R141 WeakPolarHBondContact O-CG 3.16Å; E137-R141 PolarHBondContact O-N 2.91Å; E137-R141 IonicContact OE1-CZ 2.77Å; E137-R141 VanDerWaalsContact OE1-CZ 3.27Å; E137-R141 IonicContact OE1-NE 3.27Å; E137-R141 PolarHBondContact OE1-NE 2.83Å; E137-R141 IonicContact OE1-NH2 3.04Å; E137-R141 PolarHBondContact OE1-NH2 2.94Å; E137-R141 IonicContact OE2-NH2 2.81Å
138K97.8Very high95.8Very high125 Ų125117.3 Ų117.354%0.54355%0.547SS..Hα-helixtrans-61.3-41.7176.2-175.6179.3179.4-176.70111.2I134 E135 R141 Q142I134-K138 WeakPolarHBondContact O-CB 3.44Å; I134-K138 PolarHBondContact O-N 2.91Å; E135-K138 PolarHBondContact O-N 2.92Å; K138-R141 PolarHBondContact O-N 3.14Å; K138-Q142 HydrophobicContact CG-CG 4.48Å; K138-Q142 WeakPolarHBondContact O-CB 3.45Å; K138-Q142 VanDerWaalsContact O-CG 3.29Å; K138-Q142 WeakPolarHBondContact O-CG 3.32Å; K138-Q142 PolarHBondContact O-N 3.25Å
139K96.4Very high95.9Very high123 Ų123115.4 Ų115.454%0.53554%0.544SS..Hα-helixtrans-62.2-43.4175-174.4175.5-178.7175.90111.4E135 R136 E137 R141 Q142 Q143E135-K139 WeakPolarHBondContact O-CB 3.38Å; E135-K139 PolarHBondContact O-N 3.29Å; R136-K139 PolarHBondContact O-N 3.44Å; E137-K139 VanDerWaalsContact C-N 3.34Å; E137-K139 PolarHBondContact O-N 3.08Å; K139-R141 PolarHBondContact O-N 3.48Å; K139-Q142 PolarHBondContact O-N 2.83Å; K139-Q143 WeakPolarHBondContact O-CB 3.42Å; K139-Q143 WeakPolarHBondContact O-CG 3.37Å; K139-Q143 PolarHBondContact O-N 3Å
140R96Very high95.9Very high148 Ų148113.5 Ų113.556%0.55855%0.546SS*.Hα-helixtrans-58.8-46.3173.4-173.5-171.771.6-1370.3111.6R136 E137 Q143 S144R136-R140 PolarHBondContact O-N 2.72Å; E137-R140 VanDerWaalsContact CG-CZ 3.48Å; E137-R140 WeakPolarHBondContact O-CB 3.42Å; E137-R140 PolarHBondContact O-N 2.9Å; E137-R140 IonicContact OE1-NH2 3.26Å; E137-R140 PolarHBondContact OE1-NH2 3.2Å; R140-Q143 PolarHBondContact O-N 3.09Å; R140-S144 PolarHBondContact O-N 3.38Å; R140-S144 VanDerWaalsContact O-N 3.12Å
141R95.1Very high95.8Very high159 Ų159113.8 Ų113.860%0.655%0.547SS*.Hα-helixtrans-64.3-41.1176.9-68.6178.5-174.6-161.14.3111.9E137 K138 K139 S144 K145E137-R141 WeakPolarHBondContact O-CG 3.16Å; E137-R141 PolarHBondContact O-N 2.91Å; E137-R141 IonicContact OE1-CZ 2.77Å; E137-R141 VanDerWaalsContact OE1-CZ 3.27Å; E137-R141 IonicContact OE1-NE 3.27Å; E137-R141 PolarHBondContact OE1-NE 2.83Å; E137-R141 IonicContact OE1-NH2 3.04Å; E137-R141 PolarHBondContact OE1-NH2 2.94Å; E137-R141 IonicContact OE2-NH2 2.81Å; K138-R141 PolarHBondContact O-N 3.14Å; K139-R141 PolarHBondContact O-N 3.48Å; R141-S144 PolarHBondContact O-N 3.04Å; R141-K145 WeakPolarHBondContact O-CB 3.2Å; R141-K145 PolarHBondContact O-N 3.44Å
142Q96.4Very high95.9Very high104 Ų104109.9 Ų109.949%0.48654%0.537SS..Hα-helixtrans-64-45.6176.9-78175.9-10.300111.6K138 K139 S144 K145 T146K138-Q142 HydrophobicContact CG-CG 4.48Å; K138-Q142 WeakPolarHBondContact O-CB 3.45Å; K138-Q142 VanDerWaalsContact O-CG 3.29Å; K138-Q142 WeakPolarHBondContact O-CG 3.32Å; K138-Q142 PolarHBondContact O-N 3.25Å; K139-Q142 PolarHBondContact O-N 2.83Å; Q142-S144 VanDerWaalsContact C-N 3.34Å; Q142-S144 PolarHBondContact O-N 3.24Å; Q142-K145 CarbonylContact O-C 3.57Å; Q142-K145 PolarHBondContact O-N 3.23Å; Q142-T146 WeakPolarHBondContact O-CB 3.29Å; Q142-T146 WeakPolarHBondContact O-CG2 3.39Å; Q142-T146 PolarHBondContact O-N 3.24Å; Q142-T146 PolarHBondContact O-OG1 3.44Å; Q142-T146 VanDerWaalsContact O-OG1 3.13Å
143Q95.2Very high96Very high107 Ų107111 Ų11150%0.554%0.54SS..Hα-helixtrans-60-43176.5-74.1174.6-23.500112.1K139 R140 T146 L147K139-Q143 WeakPolarHBondContact O-CB 3.42Å; K139-Q143 WeakPolarHBondContact O-CG 3.37Å; K139-Q143 PolarHBondContact O-N 3Å; R140-Q143 PolarHBondContact O-N 3.09Å; Q143-T146 WeakPolarHBondContact CA-OG1 3.33Å; Q143-T146 PolarHBondContact O-N 3.48Å; Q143-T146 PolarHBondContact O-OG1 3.46Å; Q143-L147 WeakPolarHBondContact O-CG 3.47Å; Q143-L147 PolarHBondContact O-N 3.19Å; Q143-L147 VanDerWaalsContact O-N 3.14Å
144S92.9Very high96Very high82 Ų82110.1 Ų110.157%0.57353%0.534SS*.Hα-helixtrans-63.1-44.7174.4-179.70000111.7R140 R141 Q142 L147 S148R140-S144 PolarHBondContact O-N 3.38Å; R140-S144 VanDerWaalsContact O-N 3.12Å; R141-S144 PolarHBondContact O-N 3.04Å; Q142-S144 VanDerWaalsContact C-N 3.34Å; Q142-S144 PolarHBondContact O-N 3.24Å; S144-L147 PolarHBondContact O-N 3.27Å; S144-S148 PolarHBondContact O-N 3.12Å; S144-S148 VanDerWaalsContact O-N 3.08Å
145K97.5Very high95.9Very high159 Ų159110.7 Ų110.769%0.69154%0.535SS*.Hα-helixtrans-66.6-38.8178.1-172.2173.3-177.2176.80112.6R141 Q142 S148 S149R141-K145 WeakPolarHBondContact O-CB 3.2Å; R141-K145 PolarHBondContact O-N 3.44Å; Q142-K145 CarbonylContact O-C 3.57Å; Q142-K145 PolarHBondContact O-N 3.23Å; K145-S148 PolarHBondContact O-N 2.79Å; K145-S149 WeakPolarHBondContact O-CB 3.41Å; K145-S149 PolarHBondContact O-N 3.03Å; K145-S149 PolarHBondContact O-OG 3.45Å
146T96.4Very high95.9Very high79 Ų79110.3 Ų110.349%0.48553%0.533SS..Hα-helixtrans-65.8-42.8179.254.40000110.4Q142 Q143 S149 A150Q142-T146 WeakPolarHBondContact O-CB 3.29Å; Q142-T146 WeakPolarHBondContact O-CG2 3.39Å; Q142-T146 PolarHBondContact O-N 3.24Å; Q142-T146 PolarHBondContact O-OG1 3.44Å; Q142-T146 VanDerWaalsContact O-OG1 3.13Å; Q143-T146 WeakPolarHBondContact CA-OG1 3.33Å; Q143-T146 PolarHBondContact O-N 3.48Å; Q143-T146 PolarHBondContact O-OG1 3.46Å; T146-S149 WeakPolarHBondContact CA-OG 3.39Å; T146-S149 PolarHBondContact O-N 2.88Å; T146-S149 PolarHBondContact O-OG 3.48Å; T146-A150 VanDerWaalsContact O-CB 3.23Å; T146-A150 WeakPolarHBondContact O-CB 3.33Å; T146-A150 PolarHBondContact O-N 2.91Å
147L94.4Very high95.9Very high117 Ų117104.2 Ų104.261%0.61351%0.514SS*.Hα-helixtrans-62.1-43.5174.8-70.5172.4000111.9Q143 S144 A150 K151Q143-L147 WeakPolarHBondContact O-CG 3.47Å; Q143-L147 PolarHBondContact O-N 3.19Å; Q143-L147 VanDerWaalsContact O-N 3.14Å; S144-L147 PolarHBondContact O-N 3.27Å; L147-A150 PolarHBondContact O-N 3.24Å; L147-K151 WeakPolarHBondContact O-CG 3.49Å; L147-K151 PolarHBondContact O-N 3.44Å; L147-K151 VanDerWaalsContact O-N 3.14Å
148S95.1Very high95.9Very high80 Ų80105.7 Ų105.756%0.55952%0.521SS*.Hα-helixtrans-65-45.4175.6174.90000112.2S144 K145 A150 K151 A152S144-S148 PolarHBondContact O-N 3.12Å; S144-S148 VanDerWaalsContact O-N 3.08Å; K145-S148 PolarHBondContact O-N 2.79Å; S148-A150 VanDerWaalsContact C-N 3.33Å; S148-A150 PolarHBondContact O-N 2.8Å; S148-K151 PolarHBondContact O-N 2.93Å; S148-A152 WeakPolarHBondContact O-CB 3.2Å; S148-A152 PolarHBondContact O-N 2.7Å
149S96.2Very high95.8Very high52 Ų52104.9 Ų104.936%0.36452%0.521SS..Hα-helixtrans-66.9-32.4178.370.60000113.1K145 T146 K153K145-S149 WeakPolarHBondContact O-CB 3.41Å; K145-S149 PolarHBondContact O-N 3.03Å; K145-S149 PolarHBondContact O-OG 3.45Å; T146-S149 WeakPolarHBondContact CA-OG 3.39Å; T146-S149 PolarHBondContact O-N 2.88Å; T146-S149 PolarHBondContact O-OG 3.48Å; S149-K153 WeakPolarHBondContact O-CB 3.4Å; S149-K153 VanDerWaalsContact O-CG 3.29Å; S149-K153 WeakPolarHBondContact O-CG 3.41Å; S149-K153 PolarHBondContact O-N 3.05Å
150A95.6Very high95.8Very high59 Ų59105.4 Ų105.449%0.48852%0.52SS..Hα-helixtrans-68.5-42.1175.900000111.1T146 L147 S148 K153 F154T146-A150 VanDerWaalsContact O-CB 3.23Å; T146-A150 WeakPolarHBondContact O-CB 3.33Å; T146-A150 PolarHBondContact O-N 2.91Å; L147-A150 PolarHBondContact O-N 3.24Å; S148-A150 VanDerWaalsContact C-N 3.33Å; S148-A150 PolarHBondContact O-N 2.8Å; A150-K153 PolarHBondContact O-N 2.93Å; A150-F154 WeakPolarHBondContact O-CB 3.5Å; A150-F154 PolarHBondContact O-N 3.24Å
151K95.3Very high95.9Very high140 Ų140105.7 Ų105.761%0.60952%0.521SS*.Hα-helixtrans-62.8-48.5172.8-71.5-179.2178-171.60111.8L147 S148 K153 F154 E155L147-K151 WeakPolarHBondContact O-CG 3.49Å; L147-K151 PolarHBondContact O-N 3.44Å; L147-K151 VanDerWaalsContact O-N 3.14Å; S148-K151 PolarHBondContact O-N 2.93Å; K151-K153 VanDerWaalsContact C-N 3.31Å; K151-K153 PolarHBondContact O-N 3.29Å; K151-F154 WeakPolarHBondContact O-CB 3.46Å; K151-F154 PolarHBondContact O-N 3.33Å; K151-F154 VanDerWaalsContact O-N 3.12Å; K151-E155 WeakPolarHBondContact O-CG 3.17Å; K151-E155 PolarHBondContact O-N 2.92Å
152A97Very high96Very high49 Ų49103.4 Ų103.441%0.40552%0.52SS..Hα-helixtrans-59.4-40.4178.500000112.5S148 E156S148-A152 WeakPolarHBondContact O-CB 3.2Å; S148-A152 PolarHBondContact O-N 2.7Å; A152-E156 VanDerWaalsContact O-CB 3.29Å; A152-E156 WeakPolarHBondContact O-CB 3.16Å; A152-E156 PolarHBondContact O-N 2.85Å
153K96.5Very high96Very high134 Ų134101.7 Ų101.758%0.58352%0.517SS*.Hα-helixtrans-67-39.2175-77-179.1176.6-172.30112.9S149 A150 K151 E156 D157S149-K153 WeakPolarHBondContact O-CB 3.4Å; S149-K153 VanDerWaalsContact O-CG 3.29Å; S149-K153 WeakPolarHBondContact O-CG 3.41Å; S149-K153 PolarHBondContact O-N 3.05Å; A150-K153 PolarHBondContact O-N 2.93Å; K151-K153 VanDerWaalsContact C-N 3.31Å; K151-K153 PolarHBondContact O-N 3.29Å; K153-E156 PolarHBondContact O-N 2.82Å; K153-D157 WeakPolarHBondContact O-CB 3.35Å; K153-D157 PolarHBondContact O-N 2.85Å
154F95.5Very high96.1Very high120 Ų120103 Ų10353%0.52652%0.523SS..Hα-helixtrans-63.1-47.3175.8179.3-96.5000111A150 K151 E156 D157 E158A150-F154 WeakPolarHBondContact O-CB 3.5Å; A150-F154 PolarHBondContact O-N 3.24Å; K151-F154 WeakPolarHBondContact O-CB 3.46Å; K151-F154 PolarHBondContact O-N 3.33Å; K151-F154 VanDerWaalsContact O-N 3.12Å; F154-E156 VanDerWaalsContact C-N 3.35Å; F154-E156 PolarHBondContact O-N 3.31Å; F154-D157 PolarHBondContact O-N 3.36Å; F154-E158 HydrophobicContact CD1-CG 4.4Å; F154-E158 HydrophobicContact CE1-CG 3.99Å; F154-E158 WeakPolarHBondContact CE1-OE1 3.24Å; F154-E158 WeakPolarHBondContact CE1-OE2 3.22Å; F154-E158 HydrophobicContact CZ-CG 4.09Å; F154-E158 VanDerWaalsContact CZ-OE1 3.31Å; F154-E158 WeakPolarHBondContact CZ-OE1 3.42Å; F154-E158 WeakPolarHBondContact O-CG 3.43Å; F154-E158 PolarHBondContact O-N 3.44Å
155E95.9Very high96.3Very high108 Ų108104.7 Ų104.751%0.50552%0.522SS..Hα-helixtrans-61.3-41.4175.2-69167.6-154.700111.7K151 E158 I159K151-E155 WeakPolarHBondContact O-CG 3.17Å; K151-E155 PolarHBondContact O-N 2.92Å; E155-E158 PolarHBondContact O-N 2.99Å; E155-I159 WeakPolarHBondContact O-CB 3.41Å; E155-I159 WeakPolarHBondContact O-CD1 3.44Å; E155-I159 WeakPolarHBondContact O-CG1 3.24Å; E155-I159 PolarHBondContact O-N 3.45Å
156E96.2Very high96.3Very high126 Ų126104.3 Ų104.359%0.58952%0.52SS*.Hα-helixtrans-63.5-42.8175.4-174.4-179178.100112.1A152 K153 F154 I159 R160A152-E156 VanDerWaalsContact O-CB 3.29Å; A152-E156 WeakPolarHBondContact O-CB 3.16Å; A152-E156 PolarHBondContact O-N 2.85Å; K153-E156 PolarHBondContact O-N 2.82Å; F154-E156 VanDerWaalsContact C-N 3.35Å; F154-E156 PolarHBondContact O-N 3.31Å; E156-I159 PolarHBondContact O-N 3.11Å; E156-R160 VanDerWaalsContact O-CB 3.26Å; E156-R160 WeakPolarHBondContact O-CB 3.31Å; E156-R160 PolarHBondContact O-N 3.46Å
157D96.3Very high96.3Very high56 Ų56106.7 Ų106.730%0.29952%0.524SS..Hα-helixtrans-65.9-38.2176.5-78.4-25.9000111.9K153 F154 R160 R161K153-D157 WeakPolarHBondContact O-CB 3.35Å; K153-D157 PolarHBondContact O-N 2.85Å; F154-D157 PolarHBondContact O-N 3.36Å; D157-R160 PolarHBondContact O-N 2.84Å; D157-R160 IonicContact OD1-CZ 2.98Å; D157-R160 IonicContact OD1-NH1 3.04Å; D157-R160 PolarHBondContact OD1-NH1 3.03Å; D157-R160 IonicContact OD1-NH2 3.99Å; D157-R160 PolarHBondContact OD1-NH2 3.34Å; D157-R161 VanDerWaalsContact O-CG 3.31Å; D157-R161 WeakPolarHBondContact O-CG 3.41Å; D157-R161 PolarHBondContact O-N 3.45Å
158E96.4Very high96.5Very high92 Ų92108.6 Ų108.643%0.4352%0.523SS..Hα-helixtrans-64.3-48.6173.3-74.5-167.6138.100111.6F154 E155 R160 R161 L162F154-E158 HydrophobicContact CD1-CG 4.4Å; F154-E158 HydrophobicContact CE1-CG 3.99Å; F154-E158 WeakPolarHBondContact CE1-OE1 3.24Å; F154-E158 WeakPolarHBondContact CE1-OE2 3.22Å; F154-E158 HydrophobicContact CZ-CG 4.09Å; F154-E158 VanDerWaalsContact CZ-OE1 3.31Å; F154-E158 WeakPolarHBondContact CZ-OE1 3.42Å; F154-E158 WeakPolarHBondContact O-CG 3.43Å; F154-E158 PolarHBondContact O-N 3.44Å; E155-E158 PolarHBondContact O-N 2.99Å; E158-R160 VanDerWaalsContact C-N 3.3Å; E158-R160 PolarHBondContact O-N 2.89Å; E158-R161 PolarHBondContact O-N 3.48Å; E158-L162 WeakPolarHBondContact O-CG 3.28Å; E158-L162 PolarHBondContact O-N 2.88Å
159I96.4Very high96.5Very high108 Ų108110.2 Ų110.255%0.55452%0.522SS*.Hα-helixtrans-59.6-43.3175.7-67.9165.1000110.1E155 E156 R161 L162 V163E155-I159 WeakPolarHBondContact O-CB 3.41Å; E155-I159 WeakPolarHBondContact O-CD1 3.44Å; E155-I159 WeakPolarHBondContact O-CG1 3.24Å; E155-I159 PolarHBondContact O-N 3.45Å; E156-I159 PolarHBondContact O-N 3.11Å; I159-R161 PolarHBondContact O-N 3.35Å; I159-L162 PolarHBondContact O-N 3.33Å; I159-V163 HydrophobicContact CG2-CG2 4.3Å; I159-V163 WeakPolarHBondContact O-CB 3.35Å; I159-V163 VanDerWaalsContact O-CG2 3.28Å; I159-V163 WeakPolarHBondContact O-CG2 3.45Å; I159-V163 PolarHBondContact O-N 3.35Å
160R96.1Very high96.6Very high134 Ų134113.8 Ų113.851%0.50653%0.53SS..Hα-helixtrans-59.3-45.6177.9-173.3175.374-131.9-7.6111.3E156 D157 E158 V163 E164E156-R160 VanDerWaalsContact O-CB 3.26Å; E156-R160 WeakPolarHBondContact O-CB 3.31Å; E156-R160 PolarHBondContact O-N 3.46Å; D157-R160 PolarHBondContact O-N 2.84Å; D157-R160 IonicContact OD1-CZ 2.98Å; D157-R160 IonicContact OD1-NH1 3.04Å; D157-R160 PolarHBondContact OD1-NH1 3.03Å; D157-R160 IonicContact OD1-NH2 3.99Å; D157-R160 PolarHBondContact OD1-NH2 3.34Å; E158-R160 VanDerWaalsContact C-N 3.3Å; E158-R160 PolarHBondContact O-N 2.89Å; R160-V163 PolarHBondContact O-N 3.24Å; R160-E164 PolarHBondContact O-N 3.43Å
161R97.7Very high96.6Very high154 Ų154116.3 Ų116.358%0.58153%0.532SS*.Hα-helixtrans-62.8-43.7177.6-75.1173.9-179.7166.13.2112.1D157 E158 I159 V163 E164 Q165D157-R161 VanDerWaalsContact O-CG 3.31Å; D157-R161 WeakPolarHBondContact O-CG 3.41Å; D157-R161 PolarHBondContact O-N 3.45Å; E158-R161 PolarHBondContact O-N 3.48Å; I159-R161 PolarHBondContact O-N 3.35Å; R161-V163 VanDerWaalsContact C-N 3.34Å; R161-V163 PolarHBondContact O-N 2.92Å; R161-E164 PolarHBondContact O-N 3.45Å; R161-Q165 WeakPolarHBondContact O-CG 3.45Å; R161-Q165 PolarHBondContact O-N 2.91Å
162L97Very high96.7Very high111 Ų111114.7 Ų114.758%0.58153%0.527SS*.Hα-helixtrans-64.3-39.4177.2-69.4173.7000111.9E158 I159 K166E158-L162 WeakPolarHBondContact O-CG 3.28Å; E158-L162 PolarHBondContact O-N 2.88Å; I159-L162 PolarHBondContact O-N 3.33Å; L162-K166 VanDerWaalsContact O-CB 3.27Å; L162-K166 WeakPolarHBondContact O-CB 3.45Å; L162-K166 PolarHBondContact O-N 3.29Å
163V96.9Very high96.7Very high69 Ų69116.3 Ų116.342%0.41853%0.529SS..Hα-helixtrans-65.4-42.1175.9169.90000111.4I159 R160 R161 K167I159-V163 HydrophobicContact CG2-CG2 4.3Å; I159-V163 WeakPolarHBondContact O-CB 3.35Å; I159-V163 VanDerWaalsContact O-CG2 3.28Å; I159-V163 WeakPolarHBondContact O-CG2 3.45Å; I159-V163 PolarHBondContact O-N 3.35Å; R160-V163 PolarHBondContact O-N 3.24Å; R161-V163 VanDerWaalsContact C-N 3.34Å; R161-V163 PolarHBondContact O-N 2.92Å; V163-K167 HydrophobicContact CG1-CD 4.21Å; V163-K167 WeakPolarHBondContact O-CB 3.3Å; V163-K167 VanDerWaalsContact O-CG 3.3Å; V163-K167 WeakPolarHBondContact O-CG 3.28Å; V163-K167 PolarHBondContact O-N 2.9Å
164E96.4Very high96.8Very high134 Ų134116.3 Ų116.363%0.62653%0.525SS*.Hα-helixtrans-65.5-45.1177.6-172.9175179.200112R160 R161 K166 K167 R168R160-E164 PolarHBondContact O-N 3.43Å; R161-E164 PolarHBondContact O-N 3.45Å; E164-K166 PolarHBondContact O-N 3.02Å; E164-K167 PolarHBondContact O-N 3.34Å; E164-R168 PolarHBondContact O-N 2.9Å
165Q96.8Very high96.9Very high117 Ų117113 Ų11355%0.54752%0.52SS..Hα-helixtrans-60.1-46.5175.3-74.8179-6.600111.8R161 K167 R168 E169R161-Q165 WeakPolarHBondContact O-CG 3.45Å; R161-Q165 PolarHBondContact O-N 2.91Å; Q165-K167 VanDerWaalsContact C-N 3.3Å; Q165-K167 PolarHBondContact O-N 2.92Å; Q165-R168 PolarHBondContact O-N 2.84Å; Q165-E169 PolarHBondContact O-N 2.92Å
166K97.7Very high97Very high152 Ų152115.1 Ų115.166%0.66152%0.524SS*.Hα-helixtrans-64.3-34.1177.8-173.3172-175.1168.70112.6L162 E164 K170L162-K166 VanDerWaalsContact O-CB 3.27Å; L162-K166 WeakPolarHBondContact O-CB 3.45Å; L162-K166 PolarHBondContact O-N 3.29Å; E164-K166 PolarHBondContact O-N 3.02Å; K166-K170 VanDerWaalsContact O-CB 3.27Å; K166-K170 WeakPolarHBondContact O-CB 3.46Å; K166-K170 PolarHBondContact O-N 2.92Å; K166-K170 VanDerWaalsContact O-N 3.07Å
167K97.5Very high97Very high128 Ų128114.2 Ų114.256%0.55752%0.523SS*.Hα-helixtrans-68-43.6173.9-79177.3179.9-179.60111.4V163 E164 Q165 K170 E171V163-K167 HydrophobicContact CG1-CD 4.21Å; V163-K167 WeakPolarHBondContact O-CB 3.3Å; V163-K167 VanDerWaalsContact O-CG 3.3Å; V163-K167 WeakPolarHBondContact O-CG 3.28Å; V163-K167 PolarHBondContact O-N 2.9Å; E164-K167 PolarHBondContact O-N 3.34Å; Q165-K167 VanDerWaalsContact C-N 3.3Å; Q165-K167 PolarHBondContact O-N 2.92Å; K167-K170 PolarHBondContact O-N 2.83Å; K167-E171 WeakPolarHBondContact O-CG 3.27Å; K167-E171 PolarHBondContact O-N 2.99Å
168R97.5Very high97.1Very high158 Ų158114.5 Ų114.560%0.59653%0.533SS*.Hα-helixtrans-61.5-49.3177.5-168-176.975-1751111.5E164 Q165 K170 E171 E172E164-R168 PolarHBondContact O-N 2.9Å; Q165-R168 PolarHBondContact O-N 2.84Å; R168-K170 VanDerWaalsContact C-N 3.32Å; R168-K170 PolarHBondContact O-N 2.75Å; R168-E171 WeakPolarHBondContact O-CB 3.36Å; R168-E171 PolarHBondContact O-N 3.42Å; R168-E171 VanDerWaalsContact O-N 3.08Å; R168-E172 WeakPolarHBondContact CG-OE1 3.24Å; R168-E172 IonicContact NE-OE1 3.51Å; R168-E172 WeakPolarHBondContact O-CG 3.38Å; R168-E172 PolarHBondContact O-N 2.93Å
169E96.3Very high97.2Very high114 Ų114117.5 Ų117.553%0.53355%0.545SS..Hα-helixtrans-58.3-44.4176-175.2-178.6-177.800111Q165 E171 E172 D173Q165-E169 PolarHBondContact O-N 2.92Å; E169-E171 VanDerWaalsContact C-N 3.29Å; E169-E171 PolarHBondContact O-N 3.24Å; E169-E172 PolarHBondContact O-N 2.96Å; E169-D173 WeakPolarHBondContact O-CB 3.28Å; E169-D173 VanDerWaalsContact O-CG 3.32Å; E169-D173 PolarHBondContact O-N 3.17Å
170K98.1Very high97.2Very high126 Ų126115.6 Ų115.655%0.54854%0.535SS..Hα-helixtrans-64.4-31.1176.3-173.8175.7-179.51780113.3K166 K167 R168 R174K166-K170 VanDerWaalsContact O-CB 3.27Å; K166-K170 WeakPolarHBondContact O-CB 3.46Å; K166-K170 PolarHBondContact O-N 2.92Å; K166-K170 VanDerWaalsContact O-N 3.07Å; K167-K170 PolarHBondContact O-N 2.83Å; R168-K170 VanDerWaalsContact C-N 3.32Å; R168-K170 PolarHBondContact O-N 2.75Å; K170-R174 VanDerWaalsContact O-CB 3.3Å; K170-R174 WeakPolarHBondContact O-CB 3.19Å; K170-R174 WeakPolarHBondContact O-CG 3.47Å; K170-R174 PolarHBondContact O-N 2.87Å; K170-R174 VanDerWaalsContact O-N 3.12Å; K170-R174 PolarHBondContact O-NE 2.95Å
171E95.9Very high97.3Very high113 Ų113117 Ų11753%0.52855%0.545SS..Hα-helixtrans-73.2-42.8174.3-76.3170.4-167.500111.6K167 R168 E169 R174 A175K167-E171 WeakPolarHBondContact O-CG 3.27Å; K167-E171 PolarHBondContact O-N 2.99Å; R168-E171 WeakPolarHBondContact O-CB 3.36Å; R168-E171 PolarHBondContact O-N 3.42Å; R168-E171 VanDerWaalsContact O-N 3.08Å; E169-E171 VanDerWaalsContact C-N 3.29Å; E169-E171 PolarHBondContact O-N 3.24Å; E171-R174 PolarHBondContact O-N 3.24Å; E171-R174 IonicContact OE1-NH2 3.82Å; E171-A175 WeakPolarHBondContact O-CB 3.27Å; E171-A175 PolarHBondContact O-N 3.43Å
172E97.3Very high97.2Very high106 Ų106112 Ų11250%0.49554%0.537SS..Hα-helixtrans-62.2-46.3174.4-70.6169.1-179.700111.3R168 E169 R174 A175 Y176R168-E172 WeakPolarHBondContact CG-OE1 3.24Å; R168-E172 IonicContact NE-OE1 3.51Å; R168-E172 WeakPolarHBondContact O-CG 3.38Å; R168-E172 PolarHBondContact O-N 2.93Å; E169-E172 PolarHBondContact O-N 2.96Å; E172-R174 PolarHBondContact O-N 3.44Å; E172-A175 PolarHBondContact O-N 3.48Å; E172-Y176 WeakPolarHBondContact O-CB 3.45Å; E172-Y176 PolarHBondContact O-N 3.39Å
173D96.8Very high97.2Very high83 Ų83112.7 Ų112.744%0.44454%0.537SS..Hα-helixtrans-62-44.2175.8-76.9-9.7000111.8E169 A175 Y176 L177E169-D173 WeakPolarHBondContact O-CB 3.28Å; E169-D173 VanDerWaalsContact O-CG 3.32Å; E169-D173 PolarHBondContact O-N 3.17Å; D173-A175 VanDerWaalsContact C-N 3.32Å; D173-A175 PolarHBondContact O-N 2.89Å; D173-Y176 PolarHBondContact O-N 3.48Å; D173-L177 VanDerWaalsContact O-CB 3.31Å; D173-L177 WeakPolarHBondContact O-CB 3.4Å; D173-L177 WeakPolarHBondContact O-CG 3.41Å; D173-L177 PolarHBondContact O-N 2.77Å
174R97.9Very high97.2Very high134 Ų134113.2 Ų113.251%0.50654%0.537SS..Hα-helixtrans-62.7-40.9176-78.9-177.4-63.8-177.64.7111.4K170 E171 E172 A178K170-R174 VanDerWaalsContact O-CB 3.3Å; K170-R174 WeakPolarHBondContact O-CB 3.19Å; K170-R174 WeakPolarHBondContact O-CG 3.47Å; K170-R174 PolarHBondContact O-N 2.87Å; K170-R174 VanDerWaalsContact O-N 3.12Å; K170-R174 PolarHBondContact O-NE 2.95Å; E171-R174 PolarHBondContact O-N 3.24Å; E171-R174 IonicContact OE1-NH2 3.82Å; E172-R174 PolarHBondContact O-N 3.44Å; R174-A178 VanDerWaalsContact O-CB 3.24Å; R174-A178 WeakPolarHBondContact O-CB 3.49Å; R174-A178 PolarHBondContact O-N 2.77Å
175A97.5Very high97.2Very high50 Ų50109.4 Ų109.441%0.41353%0.528SS..Hα-helixtrans-68.7-40.8177.100000112E171 E172 D173 A178 K179E171-A175 WeakPolarHBondContact O-CB 3.27Å; E171-A175 PolarHBondContact O-N 3.43Å; E172-A175 PolarHBondContact O-N 3.48Å; D173-A175 VanDerWaalsContact C-N 3.32Å; D173-A175 PolarHBondContact O-N 2.89Å; A175-A178 PolarHBondContact O-N 2.76Å; A175-K179 WeakPolarHBondContact O-CG 3.29Å; A175-K179 PolarHBondContact O-N 3.44Å
176Y97.5Very high97.1Very high152 Ų152110.3 Ų110.360%0.59653%0.532SS*.Hα-helixtrans-63.2-49.1176177.8-101000111.4E172 D173 A178 K179 L180E172-Y176 WeakPolarHBondContact O-CB 3.45Å; E172-Y176 PolarHBondContact O-N 3.39Å; D173-Y176 PolarHBondContact O-N 3.48Å; Y176-A178 VanDerWaalsContact C-N 3.32Å; Y176-A178 PolarHBondContact O-N 2.93Å; Y176-K179 PolarHBondContact O-N 2.89Å; Y176-L180 WeakPolarHBondContact O-CB 3.22Å; Y176-L180 PolarHBondContact O-N 3.37Å
177L97.3Very high97Very high108 Ų108109.1 Ų109.157%0.56553%0.529SS*.Hα-helixtrans-62.2-38.5176.3-69.1174.6000112.1D173 K181D173-L177 VanDerWaalsContact O-CB 3.31Å; D173-L177 WeakPolarHBondContact O-CB 3.4Å; D173-L177 WeakPolarHBondContact O-CG 3.41Å; D173-L177 PolarHBondContact O-N 2.77Å; L177-K181 VanDerWaalsContact O-CB 3.28Å; L177-K181 WeakPolarHBondContact O-CB 3.3Å; L177-K181 PolarHBondContact O-N 3.44Å
178A97.9Very high96.8Very high61 Ų61109.3 Ų109.350%0.50453%0.532SS..Hα-helixtrans-64.9-43.1175.400000112.1R174 A175 Y176 A182R174-A178 VanDerWaalsContact O-CB 3.24Å; R174-A178 WeakPolarHBondContact O-CB 3.49Å; R174-A178 PolarHBondContact O-N 2.77Å; A175-A178 PolarHBondContact O-N 2.76Å; Y176-A178 VanDerWaalsContact C-N 3.32Å; Y176-A178 PolarHBondContact O-N 2.93Å; A178-A182 WeakPolarHBondContact O-CB 3.32Å; A178-A182 PolarHBondContact O-N 2.78Å
179K97.8Very high96.6Very high156 Ų156108.8 Ų108.868%0.67854%0.536SS*.Hα-helixtrans-62-49.3174.7-75.8178.5179.3-178.40111.6A175 Y176 K181 A182 E183A175-K179 WeakPolarHBondContact O-CG 3.29Å; A175-K179 PolarHBondContact O-N 3.44Å; Y176-K179 PolarHBondContact O-N 2.89Å; K179-K181 VanDerWaalsContact C-N 3.32Å; K179-K181 PolarHBondContact O-N 3.08Å; K179-A182 WeakPolarHBondContact O-CB 3.43Å; K179-A182 PolarHBondContact O-N 2.8Å; K179-A182 VanDerWaalsContact O-N 3.1Å; K179-E183 PolarHBondContact O-N 2.84Å
180L97.9Very high96.4Very high68 Ų68108.1 Ų108.136%0.35653%0.533SS..Hα-helixtrans-60.3-43179.4-177.264.5000111.6Y176 A182 E183 I184Y176-L180 WeakPolarHBondContact O-CB 3.22Å; Y176-L180 PolarHBondContact O-N 3.37Å; L180-A182 VanDerWaalsContact C-N 3.32Å; L180-A182 PolarHBondContact O-N 3.11Å; L180-E183 PolarHBondContact O-N 3.08Å; L180-I184 HydrophobicContact CD1-CD1 4.42Å; L180-I184 HydrophobicContact CG-CD1 4.14Å; L180-I184 WeakPolarHBondContact O-CG1 3.26Å; L180-I184 PolarHBondContact O-N 3.02Å
181K97.2Very high96.1Very high162 Ų162108.7 Ų108.770%0.70454%0.535SS*.Hα-helixtrans-62.9-38.8176-174.5178.7178.3-177.60112L177 K179 A185L177-K181 VanDerWaalsContact O-CB 3.28Å; L177-K181 WeakPolarHBondContact O-CB 3.3Å; L177-K181 PolarHBondContact O-N 3.44Å; K179-K181 VanDerWaalsContact C-N 3.32Å; K179-K181 PolarHBondContact O-N 3.08Å; K181-A185 WeakPolarHBondContact O-CB 3.43Å; K181-A185 PolarHBondContact O-N 2.89Å; K181-A185 VanDerWaalsContact O-N 3.07Å
182A96.9Very high95.9Very high50 Ų50113.1 Ų113.141%0.41355%0.547SS..Hα-helixtrans-66.8-41.3176.400000111.9A178 K179 L180 A185 Q186A178-A182 WeakPolarHBondContact O-CB 3.32Å; A178-A182 PolarHBondContact O-N 2.78Å; K179-A182 WeakPolarHBondContact O-CB 3.43Å; K179-A182 PolarHBondContact O-N 2.8Å; K179-A182 VanDerWaalsContact O-N 3.1Å; L180-A182 VanDerWaalsContact C-N 3.32Å; L180-A182 PolarHBondContact O-N 3.11Å; A182-A185 PolarHBondContact O-N 2.89Å; A182-Q186 WeakPolarHBondContact O-CG 3.4Å; A182-Q186 PolarHBondContact O-N 2.98Å
183E96.9Very high95.4Very high126 Ų126111.4 Ų111.459%0.58955%0.551SS**Hα-helixtrans-64-44.5177.3-171.1162.3-158.100111.9K179 L180 A185 Q186 E187K179-E183 PolarHBondContact O-N 2.84Å; L180-E183 PolarHBondContact O-N 3.08Å; E183-A185 VanDerWaalsContact C-N 3.3Å; E183-A185 PolarHBondContact O-N 3.27Å; E183-Q186 PolarHBondContact O-N 3.45Å; E183-E187 PolarHBondContact O-N 2.84Å
184I96Very high94.9Very high80 Ų80115.6 Ų115.641%0.4156%0.561SS.*Hα-helixtrans-61.4-39.6173.8-66.2167.4000111.1L180 Q188L180-I184 HydrophobicContact CD1-CD1 4.42Å; L180-I184 HydrophobicContact CG-CD1 4.14Å; L180-I184 WeakPolarHBondContact O-CG1 3.26Å; L180-I184 PolarHBondContact O-N 3.02Å; I184-Q188 HydrophobicContact CG2-CG 4.28Å; I184-Q188 VanDerWaalsContact O-CB 3.26Å; I184-Q188 WeakPolarHBondContact O-CB 3.46Å; I184-Q188 VanDerWaalsContact O-CG 3.23Å; I184-Q188 WeakPolarHBondContact O-CG 3.2Å; I184-Q188 PolarHBondContact O-N 3.44Å
185A96.4Very high94.3Very high54 Ų54115.4 Ų115.445%0.44656%0.564SS.*Hα-helixtrans-66.4-41.2178.100000111.9K181 A182 E183 Q188 E189K181-A185 WeakPolarHBondContact O-CB 3.43Å; K181-A185 PolarHBondContact O-N 2.89Å; K181-A185 VanDerWaalsContact O-N 3.07Å; A182-A185 PolarHBondContact O-N 2.89Å; E183-A185 VanDerWaalsContact C-N 3.3Å; E183-A185 PolarHBondContact O-N 3.27Å; A185-Q188 PolarHBondContact O-N 3.47Å; A185-E189 WeakPolarHBondContact O-CB 3.41Å; A185-E189 PolarHBondContact O-N 3.26Å
186Q94.9Very high93.4Very high136 Ų136117.1 Ų117.164%0.63658%0.578SS**Hα-helixtrans-63.9-47175.8-74.2-179.2-13.200111.9A182 E183 Q188 E189 E190A182-Q186 WeakPolarHBondContact O-CG 3.4Å; A182-Q186 PolarHBondContact O-N 2.98Å; E183-Q186 PolarHBondContact O-N 3.45Å; Q186-Q188 PolarHBondContact O-N 3.16Å; Q186-E189 PolarHBondContact O-N 2.66Å; Q186-E190 PolarHBondContact O-N 3.42Å
187E95.9Very high92.2Very high126 Ų126113 Ų11359%0.58958%0.582SS**Hα-helixtrans-64.9-40.3177.5-168.2-168140.200111.4E183 E189 E190 K191E183-E187 PolarHBondContact O-N 2.84Å; E187-E189 VanDerWaalsContact C-N 3.34Å; E187-E189 PolarHBondContact O-N 2.79Å; E187-E190 PolarHBondContact O-N 3.12Å; E187-K191 WeakPolarHBondContact O-CB 3.15Å; E187-K191 PolarHBondContact O-N 3.28Å
188Q94Very high90.6Very high132 Ų132115.4 Ų115.462%0.61759%0.59SS**Hα-helixtrans-65-38.4176.4-77.5-170.423.200112.2I184 A185 Q186 R192I184-Q188 HydrophobicContact CG2-CG 4.28Å; I184-Q188 VanDerWaalsContact O-CB 3.26Å; I184-Q188 WeakPolarHBondContact O-CB 3.46Å; I184-Q188 VanDerWaalsContact O-CG 3.23Å; I184-Q188 WeakPolarHBondContact O-CG 3.2Å; I184-Q188 PolarHBondContact O-N 3.44Å; A185-Q188 PolarHBondContact O-N 3.47Å; Q186-Q188 PolarHBondContact O-N 3.16Å; Q188-R192 WeakPolarHBondContact O-CB 3.15Å; Q188-R192 PolarHBondContact O-N 3.15Å
189E92.1Very high88.5Confident147 Ų147118.7 Ų118.769%0.68760%0.598SS**Hα-helixtrans-67.5-45.8175.4-173173.6-17900111.6A185 Q186 E187 K191 R192 A193A185-E189 WeakPolarHBondContact O-CB 3.41Å; A185-E189 PolarHBondContact O-N 3.26Å; Q186-E189 PolarHBondContact O-N 2.66Å; E187-E189 VanDerWaalsContact C-N 3.34Å; E187-E189 PolarHBondContact O-N 2.79Å; E189-K191 PolarHBondContact O-N 3.5Å; E189-R192 PolarHBondContact O-N 3.32Å; E189-A193 WeakPolarHBondContact O-CB 3.47Å; E189-A193 PolarHBondContact O-N 2.83Å
190E92.3Very high86Confident100 Ų100119.6 Ų119.647%0.46761%0.61SS.*Hα-helixtrans-61.4-45.7175.9-173.2-175.3167.700111.2Q186 E187 R192 A193 R194Q186-E190 PolarHBondContact O-N 3.42Å; E187-E190 PolarHBondContact O-N 3.12Å; E190-R192 VanDerWaalsContact C-N 3.31Å; E190-R192 PolarHBondContact O-N 2.96Å; E190-A193 PolarHBondContact O-N 2.8Å; E190-R194 HydrophobicContact CG-CG 4.42Å; E190-R194 WeakPolarHBondContact O-CB 3.39Å; E190-R194 WeakPolarHBondContact O-CG 3.39Å; E190-R194 PolarHBondContact O-N 3.29Å; E190-R194 IonicContact OE1-CZ 3.31Å; E190-R194 VanDerWaalsContact OE1-CZ 3.31Å; E190-R194 IonicContact OE1-NE 2.86Å; E190-R194 PolarHBondContact OE1-NE 2.99Å; E190-R194 IonicContact OE1-NH2 2.91Å; E190-R194 PolarHBondContact OE1-NH2 2.95Å
191K91.3Very high83.3Confident138 Ų138120.4 Ų120.460%0.663%0.626SS**Hα-helixtrans-64.5-36.8178.1-170.7173.3-172.7169.80111.6E187 E189 K195E187-K191 WeakPolarHBondContact O-CB 3.15Å; E187-K191 PolarHBondContact O-N 3.28Å; E189-K191 PolarHBondContact O-N 3.5Å; K191-K195 WeakPolarHBondContact O-CB 3.31Å; K191-K195 PolarHBondContact O-N 2.82Å
192R91.7Very high80.4Confident206 Ų206118.7 Ų118.778%0.77763%0.629SS**Hα-helixtrans-66.6-41.4174.4-172.8177.5-177.4-175.40111.1Q188 E189 E190 A196Q188-R192 WeakPolarHBondContact O-CB 3.15Å; Q188-R192 PolarHBondContact O-N 3.15Å; E189-R192 PolarHBondContact O-N 3.32Å; E190-R192 VanDerWaalsContact C-N 3.31Å; E190-R192 PolarHBondContact O-N 2.96Å; R192-A196 WeakPolarHBondContact O-CB 3.35Å; R192-A196 PolarHBondContact O-N 3.43Å
193A87.8Confident77.7Confident70 Ų70122.2 Ų122.258%0.57965%0.646SS**Hα-helixtrans-65.5-45.1175.800000112.1E189 E190 A196 G197E189-A193 WeakPolarHBondContact O-CB 3.47Å; E189-A193 PolarHBondContact O-N 2.83Å; E190-A193 PolarHBondContact O-N 2.8Å; A193-A196 PolarHBondContact O-N 3.13Å; A193-G197 PolarHBondContact O-N 2.83Å
194R85.5Confident75.2Confident172 Ų172122.4 Ų122.465%0.64966%0.658SS**Hα-helixtrans-66.4-44.2176.6-74.1-173.1-178.5-126.26112.7E190 A196 G197 E198E190-R194 HydrophobicContact CG-CG 4.42Å; E190-R194 WeakPolarHBondContact O-CB 3.39Å; E190-R194 WeakPolarHBondContact O-CG 3.39Å; E190-R194 PolarHBondContact O-N 3.29Å; E190-R194 IonicContact OE1-CZ 3.31Å; E190-R194 VanDerWaalsContact OE1-CZ 3.31Å; E190-R194 IonicContact OE1-NE 2.86Å; E190-R194 PolarHBondContact OE1-NE 2.99Å; E190-R194 IonicContact OE1-NH2 2.91Å; E190-R194 PolarHBondContact OE1-NH2 2.95Å; R194-A196 VanDerWaalsContact C-N 3.28Å; R194-A196 PolarHBondContact O-N 2.73Å; R194-G197 CarbonylContact O-C 3.57Å; R194-G197 WeakPolarHBondContact O-CA 3.35Å; R194-G197 PolarHBondContact O-N 2.98Å; R194-E198 PolarHBondContact O-N 3.03Å
195K86.7Confident72.4Confident130 Ų130124 Ų12457%0.56568%0.676SS**Hα-helixtrans-66.3-31.9179.2-172175.2-179.1-177.70111.9K191 G197 E198 L199K191-K195 WeakPolarHBondContact O-CB 3.31Å; K191-K195 PolarHBondContact O-N 2.82Å; K195-G197 PolarHBondContact O-N 3.41Å; K195-E198 PolarHBondContact O-N 3.06Å; K195-L199 HydrophobicContact CG-CD1 3.93Å; K195-L199 HydrophobicContact CG-CG 4.07Å; K195-L199 WeakPolarHBondContact O-CD1 3.15Å; K195-L199 VanDerWaalsContact O-CG 3.29Å; K195-L199 WeakPolarHBondContact O-CG 3.42Å
196A78.5Confident69.6Low86 Ų86129.3 Ų129.371%0.71170%0.697SS**Hα-helixtrans-65.7-24.8170.500000112.6R192 A193 R194R192-A196 WeakPolarHBondContact O-CB 3.35Å; R192-A196 PolarHBondContact O-N 3.43Å; A193-A196 PolarHBondContact O-N 3.13Å; R194-A196 VanDerWaalsContact C-N 3.28Å; R194-A196 PolarHBondContact O-N 2.73Å
197G71.1Confident66.9Low65 Ų65127.3 Ų127.367%0.6770%0.698SS**Hα-helixtrans-84.8-31.1172.900000115.5A193 R194 K195A193-G197 PolarHBondContact O-N 2.83Å; R194-G197 CarbonylContact O-C 3.57Å; R194-G197 WeakPolarHBondContact O-CA 3.35Å; R194-G197 PolarHBondContact O-N 2.98Å; K195-G197 PolarHBondContact O-N 3.41Å
198E64.7Low63.9Low158 Ų158127.5 Ų127.574%0.73871%0.708SS**Hα-helixtrans-102.35.6-166.6-161.764.5-163.900115.1R194 K195 L200R194-E198 PolarHBondContact O-N 3.03Å; K195-E198 PolarHBondContact O-N 3.06Å; E198-L200 PolarHBondContact O-N 2.9Å
199L53.6Low61.2Low130 Ų130126.4 Ų126.468%0.68172%0.715SS**  trans-7937.7-176.2-81.5167.6000115.7K195K195-L199 HydrophobicContact CG-CD1 3.93Å; K195-L199 HydrophobicContact CG-CG 4.07Å; K195-L199 WeakPolarHBondContact O-CD1 3.15Å; K195-L199 VanDerWaalsContact O-CG 3.29Å; K195-L199 WeakPolarHBondContact O-CG 3.42Å
200L45.7Very low58.5Low176 Ų176127.2 Ų127.292%0.92172%0.723SS**  trans-127.564.2168.3-80.4161.7000111.4E198E198-L200 PolarHBondContact O-N 2.9Å
201A39.7Very low56.3Low84 Ų84127.8 Ų127.869%0.69474%0.736SS**  trans173.790.915200000110.5
202T37.3Very low53.4Low127 Ų127127.6 Ų127.678%0.77975%0.746SS**  52.5109.593.551.30000118.7
203T39.3Very low50.9Low124 Ų124124.2 Ų124.276%0.76175%0.749SS**  trans57.7135.2136.245.40000120.1
204P46Very low48.8Very low129 Ų129127.2 Ų127.284%0.83876%0.759SS**  -146.7162.782.835.6-16.6000117.8
205S35.4Very low47.3Very low114 Ų114123.9 Ų123.980%0.79776%0.76SS**  trans-67.6150.3162.6-58.40000112.7
206N38.3Very low45.3Very low166 Ų166127.5 Ų127.589%0.88878%0.776SS**  trans-152.8146.7138.2-157.828.4000111.5
207S37.8Very low44.2Very low93 Ų93129.4 Ų129.465%0.6577%0.773SS**  trans-109.5160.5-171-56.40000112.3
208T32.4Very low43.6Very low130 Ų130133.2 Ų133.280%0.79878%0.778SS**  trans110.3131140.2-54.10000120.1
209S38.4Very low43.5Very low109 Ų109128.2 Ų128.276%0.76276%0.759SS**  trans90.7118.1152.962.20000122.2
210L35.3Very low44.8Very low165 Ų165127.5 Ų127.586%0.86476%0.76SS**  trans-74160.2154.4-66.289.9000109.3
211P46Very low46.7Very low112 Ų112123.1 Ų123.173%0.72774%0.737SS**  cis-144.3170.436.937.6-15.1000118
212T31Very low49Very low134 Ų134119.1 Ų119.182%0.82270%0.704SS**  trans24.8105.4148.8-38.10000120.5
213T38.3Very low51.5Low135 Ų135118.9 Ų118.983%0.82869%0.689SS**  trans-148.4133.7145.153.10000111.5
214V44.6Very low54Low132 Ų132113 Ų11380%0.865%0.653SS**  trans-31.3134177.1-95.20000117.2K216V214-K216 PolarHBondContact O-N 2.89Å
215P53.8Low56.2Low103 Ų103109.8 Ų109.867%0.66963%0.626SS**  trans-77.5115.9178.129.2-31.2000111.8I217P215-I217 HydrophobicContact CB-CD1 3.61Å; P215-I217 HydrophobicContact CB-CG1 3.81Å; P215-I217 HydrophobicContact CG-CD1 4.17Å; P215-I217 PolarHBondContact O-N 3.27Å
216K44Very low58.9Low205 Ų205104.4 Ų104.489%0.89159%0.588SS**  trans-77.370.7154.7-63.8179.1-176.8177.10107.5V214V214-K216 PolarHBondContact O-N 2.89Å
217I56.5Low61.4Low127 Ų127102.8 Ų102.865%0.65157%0.57SS**  trans-85.5113165-68.2156.1000103.9P215 P219P215-I217 HydrophobicContact CB-CD1 3.61Å; P215-I217 HydrophobicContact CB-CG1 3.81Å; P215-I217 HydrophobicContact CG-CD1 4.17Å; P215-I217 PolarHBondContact O-N 3.27Å; I217-P219 VanDerWaalsContact C-N 3.33Å; I217-P219 WeakPolarHBondContact O-CD 3.42Å
218D57.4Low63.9Low145 Ų14598.8 Ų98.878%0.77554%0.541SS*.  trans-55.696.4167-57.9-49.9000107.1T220D218-T220 PolarHBondContact O-N 3.33Å
219P62.1Low66.3Low53 Ų5396.6 Ų96.634%0.34453%0.529SS..  trans-77.7111.4-177.126.2-14000105.1I217 I221 V240 P294I217-P219 VanDerWaalsContact C-N 3.33Å; I217-P219 WeakPolarHBondContact O-CD 3.42Å; P219-I221 PolarHBondContact O-N 3Å; P219-V240 WeakPolarHBondContact O-CG2 3.16Å; P219-P294 HydrophobicContact CG-CB 3.39Å
220T82.5Confident68.5Low114 Ų11494.2 Ų94.270%0.69951%0.512SS*.SBendtrans-57.4-7.4173.8-43.40000112.8D218 V240D218-T220 PolarHBondContact O-N 3.33Å; T220-V240 VanDerWaalsContact C-CG2 3.5Å; T220-V240 WeakPolarHBondContact O-CG2 3.32Å; T220-V240 PolarHBondContact O-N 2.88Å
221I85.7Confident70.7Confident85 Ų8589.8 Ų89.844%0.43651%0.506SS..EExtended strand (participates in β ladder)trans-121.7121.4-177.4-56.8170.2000108.9P219 E237 F238P219-I221 PolarHBondContact O-N 3Å; I221-E237 HydrophobicContact CG2-CB 3.79Å; I221-E237 HydrophobicContact CG2-CG 4.37Å; I221-F238 CarbonylContact C-O 3.59Å; I221-F238 WeakPolarHBondContact CA-O 3.23Å
222C86.1Confident72.7Confident0 Ų089 Ų890%049%0.493CS..EExtended strand (participates in β ladder)trans-93.9126.2170.6-47.10000109.4L224 F238 L287 C293 P294C222-L224 HydrophobicContact CB-CD1 4.07Å; C222-F238 PolarHBondContact N-O 3.44Å; C222-F238 PolarHBondContact O-N 2.81Å; C222-L287 HydrophobicContact CB-CD1 4.39Å; C222-C293 VanDerWaalsContact CA-SG 3.56Å; C222-C293 HydrophobicContact CB-CB 3.98Å; C222-C293 WeakPolarHBondContact CB-SG 3.41Å; C222-C293 WeakPolarHBondContact SG-CB 3.35Å; C222-C293 CovalentContact SG-SG 2.04Å; C222-C293 PolarHBondContact SG-SG 2.9Å; C222-P294 WeakPolarHBondContact CA-O 3.49Å
223R90.4Very high75.5Confident122 Ų12285.8 Ų85.846%0.4648%0.475SS..EExtended strand (participates in β ladder)trans-100.2109.3-179.6-72171.2166.2162.410.9110.6E237 P294 S295 A296R223-E237 HydrophobicContact CG-CG 4.18Å; R223-E237 IonicContact CZ-OE1 3.58Å; R223-E237 IonicContact NE-OE1 3.79Å; R223-E237 PolarHBondContact NE-OE1 3.09Å; R223-E237 IonicContact NH2-OE1 3.79Å; R223-P294 PolarHBondContact N-O 3.43Å; R223-S295 WeakPolarHBondContact O-CA 3.26Å; R223-S295 WeakPolarHBondContact O-CB 3.46Å; R223-S295 PolarHBondContact O-OG 3.02Å; R223-A296 PolarHBondContact O-N 3.41Å
224L91.3Very high78Confident1 Ų180.7 Ų80.71%0.00544%0.444CS..EExtended strand (participates in β ladder)trans-104.1127.8-179.2-68.5105.4000111.4C222 I226 R235 G236 F238 L287 L292 A296 I298C222-L224 HydrophobicContact CB-CD1 4.07Å; L224-I226 HydrophobicContact CB-CG1 4.48Å; L224-R235 WeakPolarHBondContact O-CA 3.08Å; L224-G236 PolarHBondContact N-O 3.16Å; L224-G236 PolarHBondContact O-N 3.32Å; L224-F238 HydrophobicContact CB-CD2 4.24Å; L224-F238 HydrophobicContact CB-CE2 4.2Å; L224-F238 HydrophobicContact CD1-CB 4.17Å; L224-F238 HydrophobicContact CD1-CD2 3.39Å; L224-F238 HydrophobicContact CD1-CE2 4.12Å; L224-F238 HydrophobicContact CD1-CG 4.14Å; L224-F238 HydrophobicContact CG-CD2 4.39Å; L224-L287 HydrophobicContact CD1-CD1 3.86Å; L224-L287 HydrophobicContact CD1-CD2 4.4Å; L224-L287 HydrophobicContact CD2-CD2 4.34Å; L224-L292 HydrophobicContact CD2-CB 4.27Å; L224-L292 HydrophobicContact CD2-CD1 4.28Å; L224-A296 WeakPolarHBondContact CA-O 3.21Å; L224-A296 HydrophobicContact CD2-CB 4.4Å; L224-I298 HydrophobicContact CD2-CD1 3.26Å; L224-I298 HydrophobicContact CD2-CG1 3.85Å
225H92Very high80.3Confident61 Ų6181.5 Ų81.528%0.28243%0.433SS..EExtended strand (participates in β ladder)trans-97.6109.7169.7-171.2-134.9000108.9S233 A296 V297 I298H225-S233 PolarHBondContact CE1-OG 2.91Å; H225-S233 WeakPolarHBondContact NE2-CB 3.12Å; H225-S233 PolarHBondContact NE2-OG 3.38Å; H225-A296 PolarHBondContact N-O 2.98Å; H225-V297 HydrophobicContact CB-CG2 4.33Å; H225-V297 CarbonylContact O-C 3.59Å; H225-V297 VanDerWaalsContact O-CA 3.31Å; H225-V297 WeakPolarHBondContact O-CA 3.31Å; H225-I298 PolarHBondContact O-N 3.32Å
226I92.2Very high82Confident0 Ų076.7 Ų76.70%040%0.402CS..EExtended strand (participates in β ladder)trans-101.1123.5-174.1-55.9159.8000108.6L224 S233 V234 F238 V247 Y250 V251 I298 V300L224-I226 HydrophobicContact CB-CG1 4.48Å; I226-S233 CarbonylContact O-C 3.48Å; I226-S233 WeakPolarHBondContact O-CA 3.31Å; I226-S233 WeakPolarHBondContact O-CB 3.43Å; I226-V234 HydrophobicContact CB-CG1 3.83Å; I226-V234 HydrophobicContact CD1-CG1 4.09Å; I226-V234 HydrophobicContact CG1-CG1 4.5Å; I226-V234 HydrophobicContact CG2-CG1 4.45Å; I226-V234 PolarHBondContact N-O 3.1Å; I226-V234 PolarHBondContact O-N 3.48Å; I226-F238 HydrophobicContact CD1-CE2 4.41Å; I226-V247 HydrophobicContact CD1-CG1 3.91Å; I226-V247 HydrophobicContact CG1-CG1 4.44Å; I226-Y250 HydrophobicContact CD1-CD1 3.77Å; I226-Y250 HydrophobicContact CD1-CE1 4.1Å; I226-V251 HydrophobicContact CD1-CG2 3.93Å; I226-V251 HydrophobicContact CG2-CG2 3.74Å; I226-I298 CarbonylContact C-O 3.58Å; I226-I298 VanDerWaalsContact CA-O 3.32Å; I226-I298 WeakPolarHBondContact CA-O 3.47Å; I226-V300 HydrophobicContact CG2-CG2 3.3Å
227R91Very high84.2Confident132 Ų13271.8 Ų71.850%0.49838%0.382SS..EExtended strand (participates in β ladder)trans-106.2119.6179.8-63.7-176.4-179.6-166-0.5109.9V297 I298 V300R227-V297 HydrophobicContact CG-CG1 4.25Å; R227-I298 PolarHBondContact N-O 3.09Å; R227-V300 PolarHBondContact O-N 3.47Å
228F90.3Very high85.9Confident10 Ų1066.3 Ų66.34%0.04435%0.354CS..  trans-85.1154.9176.1-66.1-82.7000111.1S230 G231 Q232 V234 V251 N254 W255 P256F228-S230 PolarHBondContact O-N 2.85Å; F228-G231 PolarHBondContact O-N 3.26Å; F228-G231 VanDerWaalsContact O-N 3.09Å; F228-Q232 WeakPolarHBondContact CB-O 3.12Å; F228-Q232 PolarHBondContact N-O 2.59Å; F228-V234 HydrophobicContact CE2-CB 3.98Å; F228-V234 HydrophobicContact CE2-CG1 3.46Å; F228-V234 VanDerWaalsContact CE2-CG1 3.46Å; F228-V234 HydrophobicContact CZ-CG1 3.89Å; F228-V251 HydrophobicContact CD1-CG1 4.47Å; F228-V251 HydrophobicContact CE1-CB 4.5Å; F228-V251 HydrophobicContact CE1-CG1 3.67Å; F228-V251 HydrophobicContact CZ-CG1 4.38Å; F228-N254 HydrophobicContact CZ-CB 4.42Å; F228-N254 WeakPolarHBondContact CZ-O 3.19Å; F228-W255 HydrophobicContact CD1-CD2 4.1Å; F228-W255 AromaticContact CD1-CE3 3.83Å; F228-W255 HydrophobicContact CD1-CE3 3.83Å; F228-W255 HydrophobicContact CD1-CH2 4.39Å; F228-W255 HydrophobicContact CD1-CZ3 4.03Å; F228-W255 HydrophobicContact CE1-CD2 4.17Å; F228-W255 AromaticContact CE1-CE3 3.75Å; F228-W255 HydrophobicContact CE1-CE3 3.75Å; F228-W255 HydrophobicContact CE1-CZ3 4.25Å; F228-P256 HydrophobicContact CB-CG 4.17Å; F228-P256 HydrophobicContact CD1-CG 4.42Å; F228-P256 HydrophobicContact CD2-CG 3.88Å; F228-P256 HydrophobicContact CE2-CG 4.32Å; F228-P256 HydrophobicContact CG-CG 3.93Å
229P84.4Confident87.4Confident83 Ų8360.8 Ų60.854%0.53933%0.331SS..THydrogen-bonded Turntrans-65.5-17.9176.327.2-33.5000112.8G231 W255 V300P229-G231 PolarHBondContact O-N 3.5Å; P229-W255 HydrophobicContact CG-CH2 3.94Å; P229-W255 HydrophobicContact CG-CZ2 3.76Å; P229-V300 WeakPolarHBondContact CD-O 3.49Å
230S84.3Confident88.6Confident60 Ų6059.3 Ų59.342%0.4232%0.321SS..THydrogen-bonded Turntrans-72.1-1.7173.461.60000114F228 Q232 P256F228-S230 PolarHBondContact O-N 2.85Å; S230-Q232 PolarHBondContact O-N 2.64Å; S230-P256 WeakPolarHBondContact OG-CG 3.4Å
231G81.7Confident88.9Confident71 Ų7160.4 Ų60.473%0.73232%0.322SS*.SBendtrans82.8-9.2-174.600000113.9F228 P229F228-G231 PolarHBondContact O-N 3.26Å; F228-G231 VanDerWaalsContact O-N 3.09Å; P229-G231 PolarHBondContact O-N 3.5Å
232Q87Confident89.1Confident97 Ų9759.4 Ų59.445%0.45332%0.316SS..  trans-75.5154.1172.9-67-162.316.600111.4F228 S230 P256F228-Q232 WeakPolarHBondContact CB-O 3.12Å; F228-Q232 PolarHBondContact N-O 2.59Å; S230-Q232 PolarHBondContact O-N 2.64Å; Q232-P256 HydrophobicContact CB-CB 4.29Å; Q232-P256 HydrophobicContact CB-CG 3.74Å; Q232-P256 VanDerWaalsContact CD-CB 3.42Å; Q232-P256 HydrophobicContact CG-CB 4.25Å; Q232-P256 HydrophobicContact CG-CG 4.19Å
233S89.1Confident89.3Confident65 Ų6561.6 Ų61.646%0.45533%0.33SS..EExtended strand (participates in β ladder)trans-137.8140.3176.3690000111.1H225 I226H225-S233 PolarHBondContact CE1-OG 2.91Å; H225-S233 WeakPolarHBondContact NE2-CB 3.12Å; H225-S233 PolarHBondContact NE2-OG 3.38Å; I226-S233 CarbonylContact O-C 3.48Å; I226-S233 WeakPolarHBondContact O-CA 3.31Å; I226-S233 WeakPolarHBondContact O-CB 3.43Å
234V91.8Very high89.3Confident28 Ų2855.8 Ų55.817%0.1731%0.308CS..EExtended strand (participates in β ladder)trans-120.2146.8178.569.10000109.5I226 F228 Y250I226-V234 HydrophobicContact CB-CG1 3.83Å; I226-V234 HydrophobicContact CD1-CG1 4.09Å; I226-V234 HydrophobicContact CG1-CG1 4.5Å; I226-V234 HydrophobicContact CG2-CG1 4.45Å; I226-V234 PolarHBondContact N-O 3.1Å; I226-V234 PolarHBondContact O-N 3.48Å; F228-V234 HydrophobicContact CE2-CB 3.98Å; F228-V234 HydrophobicContact CE2-CG1 3.46Å; F228-V234 VanDerWaalsContact CE2-CG1 3.46Å; F228-V234 HydrophobicContact CZ-CG1 3.89Å; V234-Y250 HydrophobicContact CG1-CE1 3.9Å; V234-Y250 HydrophobicContact CG2-CE1 3.93Å
235R92.2Very high89.2Confident149 Ų14957.5 Ų57.556%0.56232%0.32SS*.EExtended strand (participates in β ladder)trans-108121.5176.1-177.9174.4171.6173.6-6108.5L224 E237 Y250L224-R235 WeakPolarHBondContact O-CA 3.08Å; R235-E237 IonicContact NH2-OE1 2.75Å; R235-Y250 PolarHBondContact O-OH 3.01Å
236G89.5Confident89.1Confident2 Ų255.5 Ų55.52%0.02131%0.314CS..EExtended strand (participates in β ladder)trans-114.4146.717500000111L224L224-G236 PolarHBondContact N-O 3.16Å; L224-G236 PolarHBondContact O-N 3.32Å
237E91.6Very high89.1Confident103 Ų10355.5 Ų55.548%0.48131%0.314SS..EExtended strand (participates in β ladder)trans-114.7122.6172.6-59.4-158.8148.900107.6I221 R223 R235I221-E237 HydrophobicContact CG2-CB 3.79Å; I221-E237 HydrophobicContact CG2-CG 4.37Å; R223-E237 HydrophobicContact CG-CG 4.18Å; R223-E237 IonicContact CZ-OE1 3.58Å; R223-E237 IonicContact NE-OE1 3.79Å; R223-E237 PolarHBondContact NE-OE1 3.09Å; R223-E237 IonicContact NH2-OE1 3.79Å; R235-E237 IonicContact NH2-OE1 2.75Å
238F90.9Very high89Confident12 Ų1249.4 Ų49.45%0.05329%0.292CS..EExtended strand (participates in β ladder)trans-127.5153.9-172.5-62.2-86.7000109.7I221 C222 L224 I226 E242 V247 Y250 L287I221-F238 CarbonylContact C-O 3.59Å; I221-F238 WeakPolarHBondContact CA-O 3.23Å; C222-F238 PolarHBondContact N-O 3.44Å; C222-F238 PolarHBondContact O-N 2.81Å; L224-F238 HydrophobicContact CB-CD2 4.24Å; L224-F238 HydrophobicContact CB-CE2 4.2Å; L224-F238 HydrophobicContact CD1-CB 4.17Å; L224-F238 HydrophobicContact CD1-CD2 3.39Å; L224-F238 HydrophobicContact CD1-CE2 4.12Å; L224-F238 HydrophobicContact CD1-CG 4.14Å; L224-F238 HydrophobicContact CG-CD2 4.39Å; I226-F238 HydrophobicContact CD1-CE2 4.41Å; F238-E242 VanDerWaalsContact CA-OE2 3.25Å; F238-E242 WeakPolarHBondContact CA-OE2 3.22Å; F238-E242 VanDerWaalsContact CB-OE2 3.28Å; F238-E242 WeakPolarHBondContact CB-OE2 3.26Å; F238-E242 WeakPolarHBondContact CD1-OE2 3.42Å; F238-V247 HydrophobicContact CD1-CG2 4.03Å; F238-V247 HydrophobicContact CD2-CG2 4.12Å; F238-V247 HydrophobicContact CE1-CB 4.41Å; F238-V247 HydrophobicContact CE1-CG2 3.91Å; F238-V247 HydrophobicContact CE2-CG1 4.38Å; F238-V247 HydrophobicContact CE2-CG2 3.97Å; F238-V247 HydrophobicContact CG-CG2 4.12Å; F238-V247 HydrophobicContact CZ-CB 4.21Å; F238-V247 HydrophobicContact CZ-CG1 4.2Å; F238-V247 HydrophobicContact CZ-CG2 3.86Å; F238-Y250 HydrophobicContact CE1-CG 4.18Å; F238-Y250 AromaticContact CZ-CD1 3.8Å; F238-Y250 HydrophobicContact CZ-CD1 3.8Å; F238-Y250 HydrophobicContact CZ-CD2 4.32Å; F238-Y250 HydrophobicContact CZ-CE1 4.45Å; F238-Y250 AromaticContact CZ-CG 3.71Å; F238-Y250 HydrophobicContact CZ-CG 3.71Å; F238-L287 HydrophobicContact CB-CD1 3.36Å; F238-L287 HydrophobicContact CG-CD1 4.09Å
239G89.6Confident88.9Confident28 Ų2853.6 Ų53.629%0.28931%0.314SS..EExtended strand (participates in β ladder)trans-72.4151.2176.700000112.2N241 E242G239-N241 PolarHBondContact O-N 3.49Å; G239-E242 PolarHBondContact N-OE2 2.87Å; G239-E242 VanDerWaalsContact O-CB 3.24Å; G239-E242 WeakPolarHBondContact O-CB 2.95Å; G239-E242 PolarHBondContact O-N 2.84Å
240V87.5Confident89.1Confident22 Ų2252.7 Ų52.713%0.13330%0.3CS..THydrogen-bonded Turntrans-54.7-37.1176.2173.90000113.1P219 T220 L288P219-V240 WeakPolarHBondContact O-CG2 3.16Å; T220-V240 VanDerWaalsContact C-CG2 3.5Å; T220-V240 WeakPolarHBondContact O-CG2 3.32Å; T220-V240 PolarHBondContact O-N 2.88Å; V240-L288 HydrophobicContact CG1-CB 3.69Å; V240-L288 HydrophobicContact CG1-CD1 3.24Å; V240-L288 HydrophobicContact CG1-CG 4.06Å; V240-L288 PolarHBondContact O-N 3.36Å
241N87.6Confident89.4Confident138 Ų13849.8 Ų49.874%0.73828%0.28SS*.THydrogen-bonded Turntrans-92.43.8-179.8-64-51.2000113.5G239G239-N241 PolarHBondContact O-N 3.49Å
242E89.9Confident89.6Confident64 Ų6447.2 Ų47.230%0.29925%0.251SS..  trans-74137.6-179.2-157173.1169.500109.7F238 G239 A246 S286 L287F238-E242 VanDerWaalsContact CA-OE2 3.25Å; F238-E242 WeakPolarHBondContact CA-OE2 3.22Å; F238-E242 VanDerWaalsContact CB-OE2 3.28Å; F238-E242 WeakPolarHBondContact CB-OE2 3.26Å; F238-E242 WeakPolarHBondContact CD1-OE2 3.42Å; G239-E242 PolarHBondContact N-OE2 2.87Å; G239-E242 VanDerWaalsContact O-CB 3.24Å; G239-E242 WeakPolarHBondContact O-CB 2.95Å; G239-E242 PolarHBondContact O-N 2.84Å; E242-A246 HydrophobicContact CG-CB 3.58Å; E242-A246 WeakPolarHBondContact OE1-CB 3.49Å; E242-S286 WeakPolarHBondContact O-CA 3.1Å; E242-L287 HydrophobicContact CB-CD1 4.36Å; E242-L287 WeakPolarHBondContact O-CG 3.33Å; E242-L287 PolarHBondContact O-N 3.15Å
243P91.8Very high89.5Confident46 Ų4650.1 Ų50.130%0.29927%0.265SS..BIsolated β-bridgetrans-73.4154.2177.729.5-35.2000111.7S245 A246 K285P243-S245 WeakPolarHBondContact CB-OG 3.36Å; P243-S245 VanDerWaalsContact CG-OG 3.24Å; P243-S245 WeakPolarHBondContact CG-OG 3.24Å; P243-S245 PolarHBondContact O-N 3.31Å; P243-S245 VanDerWaalsContact O-N 3.1Å; P243-A246 WeakPolarHBondContact O-CB 3.47Å; P243-A246 PolarHBondContact O-N 2.71Å; P243-K285 WeakPolarHBondContact CA-O 3.38Å
244L89.7Confident89.2Confident0 Ų049.8 Ų49.80%026%0.258CS..Hα-helixtrans-57.4-25.5173.9-178.669.2000112.4A246 V247 A248 L269 F278 I283 K285 L287 L290 L292 I298L244-A246 VanDerWaalsContact C-N 3.26Å; L244-A246 PolarHBondContact O-N 3.02Å; L244-V247 HydrophobicContact CD1-CB 4.27Å; L244-V247 HydrophobicContact CD1-CG2 4.44Å; L244-V247 WeakPolarHBondContact O-CA 2.99Å; L244-V247 WeakPolarHBondContact O-CB 3.48Å; L244-V247 PolarHBondContact O-N 3.17Å; L244-V247 VanDerWaalsContact O-N 3.09Å; L244-A248 PolarHBondContact O-N 2.9Å; L244-L269 HydrophobicContact CD1-CD1 3.88Å; L244-L269 HydrophobicContact CD2-CD1 4.46Å; L244-L269 HydrophobicContact CG-CD1 4.05Å; L244-F278 HydrophobicContact CD1-CD2 4.31Å; L244-F278 HydrophobicContact CD1-CE2 4.41Å; L244-F278 HydrophobicContact CD2-CB 3.4Å; L244-F278 VanDerWaalsContact CD2-CB 3.4Å; L244-F278 HydrophobicContact CD2-CD1 3.84Å; L244-F278 HydrophobicContact CD2-CD2 3.62Å; L244-F278 HydrophobicContact CD2-CE2 4.31Å; L244-F278 HydrophobicContact CD2-CG 3.33Å; L244-I283 HydrophobicContact CD2-CG1 4.4Å; L244-K285 PolarHBondContact N-O 3.34Å; L244-L287 HydrophobicContact CD1-CD2 4.31Å; L244-L290 HydrophobicContact CB-CD1 3.8Å; L244-L290 HydrophobicContact CD1-CD1 4.35Å; L244-L290 HydrophobicContact CD2-CD1 3.8Å; L244-L290 HydrophobicContact CG-CD1 4.19Å; L244-L292 HydrophobicContact CD1-CD1 4.1Å; L244-I298 HydrophobicContact CD1-CD1 4.16Å
245S90.1Very high88.8Confident36 Ų3649.9 Ų49.925%0.25226%0.255SS..Hα-helixtrans-56.7-34.8172.561.80000113.9P243 V247 A248 L249 I283P243-S245 WeakPolarHBondContact CB-OG 3.36Å; P243-S245 VanDerWaalsContact CG-OG 3.24Å; P243-S245 WeakPolarHBondContact CG-OG 3.24Å; P243-S245 PolarHBondContact O-N 3.31Å; P243-S245 VanDerWaalsContact O-N 3.1Å; S245-V247 VanDerWaalsContact C-N 3.32Å; S245-V247 PolarHBondContact O-N 3.32Å; S245-A248 WeakPolarHBondContact O-CB 3.37Å; S245-A248 PolarHBondContact O-N 2.95Å; S245-L249 WeakPolarHBondContact O-CG 3.31Å; S245-L249 PolarHBondContact O-N 3.02Å; S245-I283 WeakPolarHBondContact CB-O 3.45Å; S245-I283 PolarHBondContact N-O 3.13Å
246A90Very high87.9Confident19 Ų1943.6 Ų43.616%0.15723%0.234CC..Hα-helixtrans-69.1-34.717700000111.6E242 P243 L244 L249 Y250E242-A246 HydrophobicContact CG-CB 3.58Å; E242-A246 WeakPolarHBondContact OE1-CB 3.49Å; P243-A246 WeakPolarHBondContact O-CB 3.47Å; P243-A246 PolarHBondContact O-N 2.71Å; L244-A246 VanDerWaalsContact C-N 3.26Å; L244-A246 PolarHBondContact O-N 3.02Å; A246-L249 PolarHBondContact O-N 3.5Å; A246-Y250 WeakPolarHBondContact O-CB 3.33Å; A246-Y250 PolarHBondContact O-N 3.07Å
247V90.4Very high86.7Confident0 Ų050.9 Ų50.90%027%0.272CS..Hα-helixtrans-64.3-42.9169.9-174.30000110.3I226 F238 L244 S245 L249 Y250 V251 L269 L287 I298I226-V247 HydrophobicContact CD1-CG1 3.91Å; I226-V247 HydrophobicContact CG1-CG1 4.44Å; F238-V247 HydrophobicContact CD1-CG2 4.03Å; F238-V247 HydrophobicContact CD2-CG2 4.12Å; F238-V247 HydrophobicContact CE1-CB 4.41Å; F238-V247 HydrophobicContact CE1-CG2 3.91Å; F238-V247 HydrophobicContact CE2-CG1 4.38Å; F238-V247 HydrophobicContact CE2-CG2 3.97Å; F238-V247 HydrophobicContact CG-CG2 4.12Å; F238-V247 HydrophobicContact CZ-CB 4.21Å; F238-V247 HydrophobicContact CZ-CG1 4.2Å; F238-V247 HydrophobicContact CZ-CG2 3.86Å; L244-V247 HydrophobicContact CD1-CB 4.27Å; L244-V247 HydrophobicContact CD1-CG2 4.44Å; L244-V247 WeakPolarHBondContact O-CA 2.99Å; L244-V247 WeakPolarHBondContact O-CB 3.48Å; L244-V247 PolarHBondContact O-N 3.17Å; L244-V247 VanDerWaalsContact O-N 3.09Å; S245-V247 VanDerWaalsContact C-N 3.32Å; S245-V247 PolarHBondContact O-N 3.32Å; V247-L249 VanDerWaalsContact C-N 3.35Å; V247-L249 PolarHBondContact O-N 3.15Å; V247-Y250 WeakPolarHBondContact O-CB 3.23Å; V247-Y250 PolarHBondContact O-N 2.81Å; V247-V251 HydrophobicContact CG1-CG2 4.46Å; V247-V251 WeakPolarHBondContact O-CB 3.45Å; V247-V251 VanDerWaalsContact O-CG2 3.24Å; V247-V251 WeakPolarHBondContact O-CG2 3.26Å; V247-V251 PolarHBondContact O-N 3.46Å; V247-L269 HydrophobicContact CG1-CD1 4.44Å; V247-L287 HydrophobicContact CG2-CD1 4.29Å; V247-L287 HydrophobicContact CG2-CD2 3.92Å; V247-I298 HydrophobicContact CG1-CD1 4.2Å
248A89.6Confident85.3Confident4 Ų448.2 Ų48.23%0.03327%0.265CS..Hα-helixtrans-61.1-41.6176.400000112.4L244 S245 V251 S252 L269L244-A248 PolarHBondContact O-N 2.9Å; S245-A248 WeakPolarHBondContact O-CB 3.37Å; S245-A248 PolarHBondContact O-N 2.95Å; A248-V251 PolarHBondContact O-N 2.78Å; A248-S252 PolarHBondContact O-N 3.41Å; A248-L269 HydrophobicContact CB-CD1 4.06Å
249L88.9Confident83.7Confident98 Ų9853.9 Ų53.951%0.51331%0.306SS..Hα-helixtrans-63.1-46.5172.9-72174.8000111.6S245 A246 V247 V251 S252 Q253 P264S245-L249 WeakPolarHBondContact O-CG 3.31Å; S245-L249 PolarHBondContact O-N 3.02Å; A246-L249 PolarHBondContact O-N 3.5Å; V247-L249 VanDerWaalsContact C-N 3.35Å; V247-L249 PolarHBondContact O-N 3.15Å; L249-V251 PolarHBondContact O-N 2.63Å; L249-S252 PolarHBondContact O-N 3.18Å; L249-S252 VanDerWaalsContact O-N 3.07Å; L249-S252 PolarHBondContact O-OG 2.91Å; L249-Q253 PolarHBondContact O-N 3.36Å; L249-P264 HydrophobicContact CD2-CB 4.15Å; L249-P264 HydrophobicContact CD2-CG 4.04Å
250Y89.1Confident82.3Confident64 Ų6457.2 Ų57.225%0.25132%0.321SS..Hα-helixtrans-58.1-38.1176.7-175.2-97.6000112.1I226 V234 R235 F238 A246 V247 Q253 N254I226-Y250 HydrophobicContact CD1-CD1 3.77Å; I226-Y250 HydrophobicContact CD1-CE1 4.1Å; V234-Y250 HydrophobicContact CG1-CE1 3.9Å; V234-Y250 HydrophobicContact CG2-CE1 3.93Å; R235-Y250 PolarHBondContact O-OH 3.01Å; F238-Y250 HydrophobicContact CE1-CG 4.18Å; F238-Y250 AromaticContact CZ-CD1 3.8Å; F238-Y250 HydrophobicContact CZ-CD1 3.8Å; F238-Y250 HydrophobicContact CZ-CD2 4.32Å; F238-Y250 HydrophobicContact CZ-CE1 4.45Å; F238-Y250 AromaticContact CZ-CG 3.71Å; F238-Y250 HydrophobicContact CZ-CG 3.71Å; A246-Y250 WeakPolarHBondContact O-CB 3.33Å; A246-Y250 PolarHBondContact O-N 3.07Å; V247-Y250 WeakPolarHBondContact O-CB 3.23Å; V247-Y250 PolarHBondContact O-N 2.81Å; Y250-Q253 PolarHBondContact O-N 3.41Å; Y250-N254 VanDerWaalsContact CE1-ND2 3.32Å; Y250-N254 WeakPolarHBondContact CE1-ND2 3.43Å; Y250-N254 WeakPolarHBondContact CE2-ND2 3.34Å; Y250-N254 WeakPolarHBondContact O-CB 3.27Å; Y250-N254 PolarHBondContact O-N 3.14Å; Y250-N254 PolarHBondContact OH-ND2 3.07Å; Y250-N254 VanDerWaalsContact OH-ND2 3.13Å
251V89.2Confident81.1Confident0 Ų063.6 Ų63.60%035%0.347CS..Hα-helixtrans-67-41.6174.7171.60000112I226 F228 V247 A248 L249 Q253 N254 W255 I267 L269 V300I226-V251 HydrophobicContact CD1-CG2 3.93Å; I226-V251 HydrophobicContact CG2-CG2 3.74Å; F228-V251 HydrophobicContact CD1-CG1 4.47Å; F228-V251 HydrophobicContact CE1-CB 4.5Å; F228-V251 HydrophobicContact CE1-CG1 3.67Å; F228-V251 HydrophobicContact CZ-CG1 4.38Å; V247-V251 HydrophobicContact CG1-CG2 4.46Å; V247-V251 WeakPolarHBondContact O-CB 3.45Å; V247-V251 VanDerWaalsContact O-CG2 3.24Å; V247-V251 WeakPolarHBondContact O-CG2 3.26Å; V247-V251 PolarHBondContact O-N 3.46Å; A248-V251 PolarHBondContact O-N 2.78Å; L249-V251 PolarHBondContact O-N 2.63Å; V251-Q253 VanDerWaalsContact C-N 3.29Å; V251-Q253 PolarHBondContact O-N 2.85Å; V251-N254 PolarHBondContact O-N 2.8Å; V251-W255 HydrophobicContact CG1-CE3 3.97Å; V251-W255 HydrophobicContact CG1-CZ3 4.01Å; V251-W255 PolarHBondContact O-N 3.09Å; V251-W255 VanDerWaalsContact O-N 3.15Å; V251-I267 HydrophobicContact CG1-CD1 4.06Å; V251-I267 HydrophobicContact CG1-CG2 4.14Å; V251-L269 HydrophobicContact CG2-CD2 4.37Å; V251-V300 HydrophobicContact CG1-CB 4.45Å; V251-V300 HydrophobicContact CG1-CG1 3.7Å; V251-V300 HydrophobicContact CG1-CG2 3.93Å; V251-V300 HydrophobicContact CG2-CG2 4.18Å
252S85.3Confident80.2Confident17 Ų1757.8 Ų57.812%0.11932%0.316CS..Hα-helixtrans-63.4-36.1175.972.60000112.4A248 L249 I262A248-S252 PolarHBondContact O-N 3.41Å; L249-S252 PolarHBondContact O-N 3.18Å; L249-S252 VanDerWaalsContact O-N 3.07Å; L249-S252 PolarHBondContact O-OG 2.91Å; S252-I262 WeakPolarHBondContact CB-O 3.49Å
253Q85.5Confident79.5Confident158 Ų15859.3 Ų59.374%0.73833%0.326SS*.Hα-helixtrans-74.8-38.9178.7-175.3172.86.900112.3L249 Y250 V251L249-Q253 PolarHBondContact O-N 3.36Å; Y250-Q253 PolarHBondContact O-N 3.41Å; V251-Q253 VanDerWaalsContact C-N 3.29Å; V251-Q253 PolarHBondContact O-N 2.85Å
254N83.8Confident78.4Confident57 Ų5759 Ų5931%0.30532%0.324SS..THydrogen-bonded Turntrans-97.218.3-175.5-70.3-1.3000113.5F228 Y250 V251 P256F228-N254 HydrophobicContact CZ-CB 4.42Å; F228-N254 WeakPolarHBondContact CZ-O 3.19Å; Y250-N254 VanDerWaalsContact CE1-ND2 3.32Å; Y250-N254 WeakPolarHBondContact CE1-ND2 3.43Å; Y250-N254 WeakPolarHBondContact CE2-ND2 3.34Å; Y250-N254 WeakPolarHBondContact O-CB 3.27Å; Y250-N254 PolarHBondContact O-N 3.14Å; Y250-N254 PolarHBondContact OH-ND2 3.07Å; Y250-N254 VanDerWaalsContact OH-ND2 3.13Å; V251-N254 PolarHBondContact O-N 2.8Å; N254-P256 WeakPolarHBondContact O-CD 3.43Å
255W81.9Confident77.8Confident31 Ų3167.4 Ų67.412%0.11736%0.363CS..  trans-65.6116.5-177.7-164.9-82.5000111.7F228 P229 V251 I262 I267 V300 Q302F228-W255 HydrophobicContact CD1-CD2 4.1Å; F228-W255 AromaticContact CD1-CE3 3.83Å; F228-W255 HydrophobicContact CD1-CE3 3.83Å; F228-W255 HydrophobicContact CD1-CH2 4.39Å; F228-W255 HydrophobicContact CD1-CZ3 4.03Å; F228-W255 HydrophobicContact CE1-CD2 4.17Å; F228-W255 AromaticContact CE1-CE3 3.75Å; F228-W255 HydrophobicContact CE1-CE3 3.75Å; F228-W255 HydrophobicContact CE1-CZ3 4.25Å; P229-W255 HydrophobicContact CG-CH2 3.94Å; P229-W255 HydrophobicContact CG-CZ2 3.76Å; V251-W255 HydrophobicContact CG1-CE3 3.97Å; V251-W255 HydrophobicContact CG1-CZ3 4.01Å; V251-W255 PolarHBondContact O-N 3.09Å; V251-W255 VanDerWaalsContact O-N 3.15Å; W255-I262 HydrophobicContact CB-CD1 3.93Å; W255-I262 HydrophobicContact CD2-CD1 3.29Å; W255-I262 HydrophobicContact CE3-CD1 3.92Å; W255-I262 HydrophobicContact CG-CD1 3.24Å; W255-I262 HydrophobicContact CZ2-CD1 4.32Å; W255-I267 HydrophobicContact CE3-CD1 4.11Å; W255-I267 HydrophobicContact CZ3-CD1 4.02Å; W255-I267 HydrophobicContact CZ3-CG1 4.23Å; W255-I267 HydrophobicContact CZ3-CG2 4.24Å; W255-V300 HydrophobicContact CH2-CG1 3.8Å; W255-V300 HydrophobicContact CZ3-CG1 3.42Å; W255-V300 VanDerWaalsContact CZ3-CG1 3.42Å; W255-Q302 HydrophobicContact CH2-CG 3.29Å; W255-Q302 HydrophobicContact CZ2-CG 3.45Å; W255-Q302 VanDerWaalsContact CZ2-CG 3.45Å; W255-Q302 HydrophobicContact CZ3-CG 4.23Å
256P73.5Confident77.4Confident17 Ų1767.6 Ų67.611%0.1136%0.364CS..THydrogen-bonded Turntrans-79.8133.6-178.327.5-26.4000111.6F228 S230 Q232 N254F228-P256 HydrophobicContact CB-CG 4.17Å; F228-P256 HydrophobicContact CD1-CG 4.42Å; F228-P256 HydrophobicContact CD2-CG 3.88Å; F228-P256 HydrophobicContact CE2-CG 4.32Å; F228-P256 HydrophobicContact CG-CG 3.93Å; S230-P256 WeakPolarHBondContact OG-CG 3.4Å; Q232-P256 HydrophobicContact CB-CB 4.29Å; Q232-P256 HydrophobicContact CB-CG 3.74Å; Q232-P256 VanDerWaalsContact CD-CB 3.42Å; Q232-P256 HydrophobicContact CG-CB 4.25Å; Q232-P256 HydrophobicContact CG-CG 4.19Å; N254-P256 WeakPolarHBondContact O-CD 3.43Å
257N65.1Low77.2Confident154 Ų15467 Ų6782%0.82436%0.359SS*.THydrogen-bonded Turntrans68.923.6174.4-62-16.3000117.9
258S62.6Low77.1Confident47 Ų4771.7 Ų71.733%0.32938%0.376SS..  trans-115.1114.6162.7-177.40000109.7T260S258-T260 PolarHBondContact O-N 3.4Å; S258-T260 PolarHBondContact OG-N 2.97Å; S258-T260 PolarHBondContact OG-O 2.67Å
259S56Low77.2Confident131 Ų13171.7 Ų71.792%0.91638%0.376SS*.SBendtrans-69.9-6.4168.153.60000112.8
260T61.4Low77.2Confident98 Ų9869.4 Ų69.460%0.60136%0.363SS*.SBendtrans-101.8124.9179.8-49.70000108.7S258 I262S258-T260 PolarHBondContact O-N 3.4Å; S258-T260 PolarHBondContact OG-N 2.97Å; S258-T260 PolarHBondContact OG-O 2.67Å; T260-I262 PolarHBondContact O-N 3.44Å
261F61.5Low77.2Confident157 Ų15766.7 Ų66.769%0.68935%0.353SS*.PPolyproline II helixtrans-52.9120.6171.3-177.9-96.8000109.1
262I69.9Low77Confident15 Ų1569 Ų698%0.07737%0.369CS..PPolyproline II helixtrans-95.9120.9178.9-65.7156.3000107S252 W255 T260 S266 I267 Q302S252-I262 WeakPolarHBondContact CB-O 3.49Å; W255-I262 HydrophobicContact CB-CD1 3.93Å; W255-I262 HydrophobicContact CD2-CD1 3.29Å; W255-I262 HydrophobicContact CE3-CD1 3.92Å; W255-I262 HydrophobicContact CG-CD1 3.24Å; W255-I262 HydrophobicContact CZ2-CD1 4.32Å; T260-I262 PolarHBondContact O-N 3.44Å; I262-S266 WeakPolarHBondContact CG2-OG 3.35Å; I262-I267 HydrophobicContact CB-CD1 4.4Å; I262-I267 HydrophobicContact CG2-CD1 3.61Å; I262-I267 HydrophobicContact CG2-CG1 3.52Å; I262-Q302 VanDerWaalsContact CD1-NE2 3.34Å
263D73.4Confident76.8Confident97 Ų9777.4 Ų77.452%0.51940%0.404SS..PPolyproline II helixtrans-59.4133.8178-69-36.6000109.8Q265 S266D263-Q265 PolarHBondContact O-N 3.45Å; D263-S266 PolarHBondContact O-N 3.48Å; D263-S266 PolarHBondContact O-OG 3.44Å
264P70.5Confident76.7Confident38 Ų3873.8 Ų73.825%0.24739%0.394CS..G310 helixtrans-59.3-20.9-179.123.8-34000112.7L249L249-P264 HydrophobicContact CD2-CB 4.15Å; L249-P264 HydrophobicContact CD2-CG 4.04Å
265Q75.7Confident76.7Confident177 Ų17780 Ų8083%0.82742%0.418SS*.G310 helixtrans-82.6-19.1176.3-65.6-172.5-27.300114.1D263 I267D263-Q265 PolarHBondContact O-N 3.45Å; Q265-I267 PolarHBondContact O-N 2.93Å
266S81.7Confident77Confident40 Ų4082.5 Ų82.528%0.2843%0.431SS..G310 helixtrans-81.30.2176.370.10000113I262 D263 I303I262-S266 WeakPolarHBondContact CG2-OG 3.35Å; D263-S266 PolarHBondContact O-N 3.48Å; D263-S266 PolarHBondContact O-OG 3.44Å; S266-I303 PolarHBondContact O-N 3.2Å
267I86.1Confident77.8Confident7 Ų786.8 Ų86.84%0.03645%0.45CS..EExtended strand (participates in β ladder)trans-110.8125.2-175.2-55.4174.2000108.8V251 W255 I262 Q265 L269 V300V251-I267 HydrophobicContact CG1-CD1 4.06Å; V251-I267 HydrophobicContact CG1-CG2 4.14Å; W255-I267 HydrophobicContact CE3-CD1 4.11Å; W255-I267 HydrophobicContact CZ3-CD1 4.02Å; W255-I267 HydrophobicContact CZ3-CG1 4.23Å; W255-I267 HydrophobicContact CZ3-CG2 4.24Å; I262-I267 HydrophobicContact CB-CD1 4.4Å; I262-I267 HydrophobicContact CG2-CD1 3.61Å; I262-I267 HydrophobicContact CG2-CG1 3.52Å; Q265-I267 PolarHBondContact O-N 2.93Å; I267-L269 HydrophobicContact CG2-CD2 4.09Å; I267-V300 HydrophobicContact CG2-CG1 3.24Å
268R88.6Confident78.9Confident98 Ų9879.8 Ų79.837%0.3741%0.412SS..EExtended strand (participates in β ladder)trans-99.5127.2170.3-170.9168.7-90.6-162.1-0.8109.9E277 R301 I303R268-E277 IonicContact NH1-OE2 3.79Å; R268-E277 PolarHBondContact NH1-OE2 3.45Å; R268-R301 PolarHBondContact N-O 3.26Å; R268-R301 PolarHBondContact O-N 3.46Å; R268-I303 HydrophobicContact CB-CD1 4.05Å; R268-I303 HydrophobicContact CB-CG1 3.93Å
269L90.7Very high80.1Confident5 Ų580.2 Ų80.23%0.02641%0.413CS..EExtended strand (participates in β ladder)trans-98.4134.9176.2-58.1179.3000109.1L244 V247 A248 V251 I267 F278 I298 V300L244-L269 HydrophobicContact CD1-CD1 3.88Å; L244-L269 HydrophobicContact CD2-CD1 4.46Å; L244-L269 HydrophobicContact CG-CD1 4.05Å; V247-L269 HydrophobicContact CG1-CD1 4.44Å; A248-L269 HydrophobicContact CB-CD1 4.06Å; V251-L269 HydrophobicContact CG2-CD2 4.37Å; I267-L269 HydrophobicContact CG2-CD2 4.09Å; L269-F278 HydrophobicContact CB-CD2 3.94Å; L269-F278 WeakPolarHBondContact O-CD2 3.47Å; L269-F278 PolarHBondContact O-N 3.29Å; L269-I298 HydrophobicContact CB-CG2 3.97Å; L269-I298 HydrophobicContact CD2-CG2 4.02Å; L269-I298 HydrophobicContact CG-CG2 4.47Å; L269-V300 HydrophobicContact CD2-CB 4.48Å; L269-V300 HydrophobicContact CD2-CG1 4.24Å; L269-V300 HydrophobicContact CD2-CG2 3.86Å
270M90.2Very high81.3Confident50 Ų5078.4 Ų78.425%0.24640%0.4CS..EExtended strand (participates in β ladder)trans-140.8145177.865.1-171.6-60.100111.2Q276 E277 I298 M299M270-Q276 CarbonylContact C-O 3.57Å; M270-Q276 WeakPolarHBondContact CA-O 3.41Å; M270-E277 HydrophobicContact CB-CG 4.21Å; M270-E277 HydrophobicContact CE-CG 4.45Å; M270-I298 CarbonylContact O-C 3.56Å; M270-M299 HydrophobicContact CE-CE 4.29Å; M270-M299 HydrophobicContact CG-CB 3.8Å; M270-M299 HydrophobicContact CG-CE 4.16Å; M270-M299 WeakPolarHBondContact CG-O 3.46Å; M270-M299 PolarHBondContact N-O 2.62Å; M270-M299 PolarHBondContact O-N 3.04Å
271T89.6Confident82.4Confident6 Ų680.6 Ų80.64%0.03740%0.404CS..EExtended strand (participates in β ladder)trans-93.9152.5172.650.60000111.3P274 K275 Q276 F278 L292 I298T271-P274 WeakPolarHBondContact CB-O 3.36Å; T271-P274 PolarHBondContact OG1-O 2.87Å; T271-K275 WeakPolarHBondContact O-CA 3.39Å; T271-Q276 PolarHBondContact N-O 3.25Å; T271-Q276 WeakPolarHBondContact OG1-CB 3.29Å; T271-Q276 PolarHBondContact OG1-N 2.92Å; T271-Q276 PolarHBondContact OG1-O 3.41Å; T271-F278 HydrophobicContact CG2-CE2 3.66Å; T271-F278 HydrophobicContact CG2-CZ 3.69Å; T271-L292 HydrophobicContact CG2-CD2 3.49Å; T271-L292 VanDerWaalsContact CG2-CD2 3.49Å; T271-I298 HydrophobicContact CG2-CG1 4.34Å
272S83.4Confident83.6Confident48 Ų4874.4 Ų74.434%0.33638%0.378SS..SBendtrans-88.9-31.9177.554.40000113.7K275S272-K275 WeakPolarHBondContact O-CG 3.37Å
273F82.4Confident84.4Confident194 Ų19475.6 Ų75.685%0.85138%0.384SS*.SBendtrans-156.6115.9178.8-160.3-92000111.3
274P82.4Confident85.1Confident83 Ų8376.8 Ų76.854%0.53939%0.39SS..SBendcis-60.9148-10.728.5-34.4000110.6T271 Q276T271-P274 WeakPolarHBondContact CB-O 3.36Å; T271-P274 PolarHBondContact OG1-O 2.87Å; P274-Q276 PolarHBondContact O-N 3.37Å; P274-Q276 VanDerWaalsContact O-N 3.14Å
275K85.3Confident86Confident186 Ų18678.8 Ų78.881%0.80940%0.395SS*.  trans-71108.9177.6-69.7-175.9-179.6-179.10109.4T271 S272T271-K275 WeakPolarHBondContact O-CA 3.39Å; S272-K275 WeakPolarHBondContact O-CG 3.37Å
276Q87Confident86.7Confident84 Ų8471.9 Ų71.939%0.39337%0.366SS..  trans-130129.7174-64.9-176.5-26.500108.5M270 T271 P274 F278M270-Q276 CarbonylContact C-O 3.57Å; M270-Q276 WeakPolarHBondContact CA-O 3.41Å; T271-Q276 PolarHBondContact N-O 3.25Å; T271-Q276 WeakPolarHBondContact OG1-CB 3.29Å; T271-Q276 PolarHBondContact OG1-N 2.92Å; T271-Q276 PolarHBondContact OG1-O 3.41Å; P274-Q276 PolarHBondContact O-N 3.37Å; P274-Q276 VanDerWaalsContact O-N 3.14Å; Q276-F278 HydrophobicContact CB-CE1 4.27Å; Q276-F278 HydrophobicContact CB-CZ 4.48Å
277E89.9Confident87Confident107 Ų10770 Ų7050%0.535%0.353SS..BIsolated β-bridgetrans-96.7119.8169-66.9-172-166.500107.8R268 M270R268-E277 IonicContact NH1-OE2 3.79Å; R268-E277 PolarHBondContact NH1-OE2 3.45Å; M270-E277 HydrophobicContact CB-CG 4.21Å; M270-E277 HydrophobicContact CE-CG 4.45Å
278F89.8Confident87.1Confident8 Ų874.6 Ų74.64%0.03538%0.377CS..  trans-82.6124.9-179.4-59.1-62.3000110.3L244 L269 T271 Q276 D282 L290 L292L244-F278 HydrophobicContact CD1-CD2 4.31Å; L244-F278 HydrophobicContact CD1-CE2 4.41Å; L244-F278 HydrophobicContact CD2-CB 3.4Å; L244-F278 VanDerWaalsContact CD2-CB 3.4Å; L244-F278 HydrophobicContact CD2-CD1 3.84Å; L244-F278 HydrophobicContact CD2-CD2 3.62Å; L244-F278 HydrophobicContact CD2-CE2 4.31Å; L244-F278 HydrophobicContact CD2-CG 3.33Å; L269-F278 HydrophobicContact CB-CD2 3.94Å; L269-F278 WeakPolarHBondContact O-CD2 3.47Å; L269-F278 PolarHBondContact O-N 3.29Å; T271-F278 HydrophobicContact CG2-CE2 3.66Å; T271-F278 HydrophobicContact CG2-CZ 3.69Å; Q276-F278 HydrophobicContact CB-CE1 4.27Å; Q276-F278 HydrophobicContact CB-CZ 4.48Å; F278-D282 HydrophobicContact CB-CB 4.07Å; F278-D282 HydrophobicContact CD1-CB 3.92Å; F278-D282 HydrophobicContact CG-CB 4.46Å; F278-L290 HydrophobicContact CD1-CD1 4.03Å; F278-L290 HydrophobicContact CD1-CD2 4.18Å; F278-L290 HydrophobicContact CE1-CB 4.19Å; F278-L290 HydrophobicContact CE1-CD1 3.79Å; F278-L290 HydrophobicContact CE1-CD2 3.91Å; F278-L290 HydrophobicContact CE1-CG 4.18Å; F278-L290 HydrophobicContact CZ-CD1 4.32Å; F278-L292 HydrophobicContact CE2-CD1 4.24Å; F278-L292 HydrophobicContact CE2-CD2 4.49Å; F278-L292 HydrophobicContact CZ-CD1 3.9Å; F278-L292 HydrophobicContact CZ-CD2 4.08Å; F278-L292 HydrophobicContact CZ-CG 4.29Å
279T86.3Confident87.1Confident55 Ų5575 Ų7534%0.33739%0.386SS..  trans-92.1176.5175.764.40000111E281 D282 I283T279-E281 PolarHBondContact O-N 3.42Å; T279-E281 VanDerWaalsContact O-N 3.13Å; T279-D282 PolarHBondContact N-OD2 3.42Å; T279-D282 PolarHBondContact O-N 3.39Å; T279-D282 PolarHBondContact OG1-OD2 3.11Å; T279-I283 WeakPolarHBondContact O-CG1 3.38Å; T279-I283 PolarHBondContact O-N 2.98Å; T279-I283 VanDerWaalsContact O-N 3.16Å
280S81.1Confident86.9Confident93 Ų9375.7 Ų75.765%0.6539%0.39SS*.THydrogen-bonded Turntrans-57.5-24.3175.947.40000113.9N284S280-N284 PolarHBondContact O-ND2 2.99Å
281E84.1Confident86.7Confident144 Ų14476.1 Ų76.167%0.67341%0.408SS*.THydrogen-bonded Turntrans-74.6-40.3175.4-62.9-178.5-17400111.6T279 I283 N284T279-E281 PolarHBondContact O-N 3.42Å; T279-E281 VanDerWaalsContact O-N 3.13Å; E281-I283 VanDerWaalsContact C-N 3.3Å; E281-I283 PolarHBondContact O-N 3.15Å; E281-N284 PolarHBondContact O-N 2.98Å
282D87.6Confident86.6Confident28 Ų2876 Ų7615%0.1541%0.407CS..G310 helixtrans-74.1-22.9-179.1-55.6-57.3000112.7F278 T279 N284 K285 L290F278-D282 HydrophobicContact CB-CB 4.07Å; F278-D282 HydrophobicContact CD1-CB 3.92Å; F278-D282 HydrophobicContact CG-CB 4.46Å; T279-D282 PolarHBondContact N-OD2 3.42Å; T279-D282 PolarHBondContact O-N 3.39Å; T279-D282 PolarHBondContact OG1-OD2 3.11Å; D282-N284 PolarHBondContact O-N 2.98Å; D282-N284 VanDerWaalsContact O-N 3.14Å; D282-K285 PolarHBondContact O-N 3.03Å; D282-K285 IonicContact OD1-NZ 2.74Å; D282-K285 PolarHBondContact OD1-NZ 3.32Å; D282-L290 HydrophobicContact CB-CD2 4.21Å
283I87.4Confident86.7Confident40 Ų4075.3 Ų75.321%0.20540%0.402CS..G310 helixtrans-56.6-27.6173.5-72176.7000111.8L244 S245 T279 E281L244-I283 HydrophobicContact CD2-CG1 4.4Å; S245-I283 WeakPolarHBondContact CB-O 3.45Å; S245-I283 PolarHBondContact N-O 3.13Å; T279-I283 WeakPolarHBondContact O-CG1 3.38Å; T279-I283 PolarHBondContact O-N 2.98Å; T279-I283 VanDerWaalsContact O-N 3.16Å; E281-I283 VanDerWaalsContact C-N 3.3Å; E281-I283 PolarHBondContact O-N 3.15Å
284N86.9Confident86.9Confident122 Ų12269.9 Ų69.965%0.65239%0.386SS*.G310 helixtrans-90.9-6.5-179.8-57.8-57.9000113.9S280 E281 D282S280-N284 PolarHBondContact O-ND2 2.99Å; E281-N284 PolarHBondContact O-N 2.98Å; D282-N284 PolarHBondContact O-N 2.98Å; D282-N284 VanDerWaalsContact O-N 3.14Å
285K90Very high87.1Confident80 Ų8069.8 Ų69.835%0.34839%0.387SS..SBendtrans-84.7151.9178.1-65.9174.8-175.71620110.9P243 L244 D282 D289 L290P243-K285 WeakPolarHBondContact CA-O 3.38Å; L244-K285 PolarHBondContact N-O 3.34Å; D282-K285 PolarHBondContact O-N 3.03Å; D282-K285 IonicContact OD1-NZ 2.74Å; D282-K285 PolarHBondContact OD1-NZ 3.32Å; K285-D289 WeakPolarHBondContact CD-OD2 3.5Å; K285-L290 HydrophobicContact CB-CD1 4.44Å; K285-L290 HydrophobicContact CB-CD2 4.04Å; K285-L290 HydrophobicContact CB-CG 4.05Å; K285-L290 HydrophobicContact CD-CD2 3.92Å
286S90.5Very high87.3Confident31 Ų3161.8 Ų61.822%0.21736%0.355CS..BIsolated β-bridgetrans-73.7155.2177.869.30000111.9E242 L288 D289 L290E242-S286 WeakPolarHBondContact O-CA 3.1Å; S286-L288 PolarHBondContact O-N 2.8Å; S286-D289 PolarHBondContact O-N 2.86Å; S286-D289 VanDerWaalsContact O-N 3.09Å; S286-D289 PolarHBondContact OG-N 3.42Å; S286-L290 PolarHBondContact O-N 3.03Å; S286-L290 VanDerWaalsContact O-N 3.11Å
287L88.6Confident87.6Confident0 Ų060 Ų600%035%0.35CS..THydrogen-bonded Turntrans-60.8-27.6177.7-66.4173.4000113.3C222 L224 F238 E242 L244 V247 G291 L292C222-L287 HydrophobicContact CB-CD1 4.39Å; L224-L287 HydrophobicContact CD1-CD1 3.86Å; L224-L287 HydrophobicContact CD1-CD2 4.4Å; L224-L287 HydrophobicContact CD2-CD2 4.34Å; F238-L287 HydrophobicContact CB-CD1 3.36Å; F238-L287 HydrophobicContact CG-CD1 4.09Å; E242-L287 HydrophobicContact CB-CD1 4.36Å; E242-L287 WeakPolarHBondContact O-CG 3.33Å; E242-L287 PolarHBondContact O-N 3.15Å; L244-L287 HydrophobicContact CD1-CD2 4.31Å; V247-L287 HydrophobicContact CG2-CD1 4.29Å; V247-L287 HydrophobicContact CG2-CD2 3.92Å; L287-G291 PolarHBondContact O-N 3.31Å; L287-L292 HydrophobicContact CB-CB 4.46Å; L287-L292 HydrophobicContact CD2-CB 4.23Å; L287-L292 HydrophobicContact CD2-CD1 3.54Å; L287-L292 PolarHBondContact O-N 3.02Å
288L86.3Confident87.7Confident105 Ų10554.9 Ų54.955%0.5533%0.327SS..THydrogen-bonded Turntrans-69.4-44.7172.1-173.2144.2000112.2V240 S286 L290 G291V240-L288 HydrophobicContact CG1-CB 3.69Å; V240-L288 HydrophobicContact CG1-CD1 3.24Å; V240-L288 HydrophobicContact CG1-CG 4.06Å; V240-L288 PolarHBondContact O-N 3.36Å; S286-L288 PolarHBondContact O-N 2.8Å; L288-L290 VanDerWaalsContact C-N 3.29Å; L288-L290 PolarHBondContact O-N 3.49Å; L288-G291 PolarHBondContact O-N 3.1Å
289D89.4Confident87.7Confident105 Ų10557.3 Ų57.356%0.56134%0.339SS*.THydrogen-bonded Turntrans-64.9-35-179.1-170.445.8000111.8K285 S286 G291K285-D289 WeakPolarHBondContact CD-OD2 3.5Å; S286-D289 PolarHBondContact O-N 2.86Å; S286-D289 VanDerWaalsContact O-N 3.09Å; S286-D289 PolarHBondContact OG-N 3.42Å; D289-G291 PolarHBondContact O-N 3.47Å
290L86.7Confident87.9Confident20 Ų2055.1 Ų55.111%0.10533%0.325CS..THydrogen-bonded Turntrans-78.6-3173.5-61.3177.3000113.9L244 F278 D282 K285 S286 L288 L292L244-L290 HydrophobicContact CB-CD1 3.8Å; L244-L290 HydrophobicContact CD1-CD1 4.35Å; L244-L290 HydrophobicContact CD2-CD1 3.8Å; L244-L290 HydrophobicContact CG-CD1 4.19Å; F278-L290 HydrophobicContact CD1-CD1 4.03Å; F278-L290 HydrophobicContact CD1-CD2 4.18Å; F278-L290 HydrophobicContact CE1-CB 4.19Å; F278-L290 HydrophobicContact CE1-CD1 3.79Å; F278-L290 HydrophobicContact CE1-CD2 3.91Å; F278-L290 HydrophobicContact CE1-CG 4.18Å; F278-L290 HydrophobicContact CZ-CD1 4.32Å; D282-L290 HydrophobicContact CB-CD2 4.21Å; K285-L290 HydrophobicContact CB-CD1 4.44Å; K285-L290 HydrophobicContact CB-CD2 4.04Å; K285-L290 HydrophobicContact CB-CG 4.05Å; K285-L290 HydrophobicContact CD-CD2 3.92Å; S286-L290 PolarHBondContact O-N 3.03Å; S286-L290 VanDerWaalsContact O-N 3.11Å; L288-L290 VanDerWaalsContact C-N 3.29Å; L288-L290 PolarHBondContact O-N 3.49Å; L290-L292 VanDerWaalsContact C-N 3.27Å; L290-L292 HydrophobicContact CB-CD1 3.94Å; L290-L292 HydrophobicContact CB-CG 4.03Å; L290-L292 HydrophobicContact CD1-CD1 4.07Å; L290-L292 PolarHBondContact O-N 3.25Å
291G86.1Confident88.2Confident60 Ų6058.6 Ų58.662%0.61932%0.324SS*.THydrogen-bonded Turntrans66.324.7-179.100000114.5L287 L288 D289 C293L287-G291 PolarHBondContact O-N 3.31Å; L288-G291 PolarHBondContact O-N 3.1Å; D289-G291 PolarHBondContact O-N 3.47Å; G291-C293 VanDerWaalsContact C-N 3.33Å
292L87.5Confident88.2Confident4 Ų455.3 Ų55.32%0.02131%0.309CS..  trans-84.2-8.6-179.8-67.7169.2000113.3L224 L244 T271 F278 L287 L290 S295 A296 I298L224-L292 HydrophobicContact CD2-CB 4.27Å; L224-L292 HydrophobicContact CD2-CD1 4.28Å; L244-L292 HydrophobicContact CD1-CD1 4.1Å; T271-L292 HydrophobicContact CG2-CD2 3.49Å; T271-L292 VanDerWaalsContact CG2-CD2 3.49Å; F278-L292 HydrophobicContact CE2-CD1 4.24Å; F278-L292 HydrophobicContact CE2-CD2 4.49Å; F278-L292 HydrophobicContact CZ-CD1 3.9Å; F278-L292 HydrophobicContact CZ-CD2 4.08Å; F278-L292 HydrophobicContact CZ-CG 4.29Å; L287-L292 HydrophobicContact CB-CB 4.46Å; L287-L292 HydrophobicContact CD2-CB 4.23Å; L287-L292 HydrophobicContact CD2-CD1 3.54Å; L287-L292 PolarHBondContact O-N 3.02Å; L290-L292 VanDerWaalsContact C-N 3.27Å; L290-L292 HydrophobicContact CB-CD1 3.94Å; L290-L292 HydrophobicContact CB-CG 4.03Å; L290-L292 HydrophobicContact CD1-CD1 4.07Å; L290-L292 PolarHBondContact O-N 3.25Å; L292-S295 CarbonylContact O-C 3.52Å; L292-A296 HydrophobicContact CB-CB 4.02Å; L292-A296 HydrophobicContact CD2-CB 3.47Å; L292-A296 VanDerWaalsContact CD2-CB 3.47Å; L292-A296 HydrophobicContact CG-CB 4.38Å; L292-A296 WeakPolarHBondContact O-CB 3.48Å; L292-I298 HydrophobicContact CD1-CD1 4.16Å; L292-I298 HydrophobicContact CD2-CD1 4.45Å; L292-I298 HydrophobicContact CD2-CG1 4.43Å
293C85.8Confident87.9Confident33 Ų3357.8 Ų57.822%0.22332%0.321CS..  trans-94.5139.8175.8-139.30000110.7C222 G291C222-C293 VanDerWaalsContact CA-SG 3.56Å; C222-C293 HydrophobicContact CB-CB 3.98Å; C222-C293 WeakPolarHBondContact CB-SG 3.41Å; C222-C293 WeakPolarHBondContact SG-CB 3.35Å; C222-C293 CovalentContact SG-SG 2.04Å; C222-C293 PolarHBondContact SG-SG 2.9Å; G291-C293 VanDerWaalsContact C-N 3.33Å
294P86.3Confident87Confident80 Ų8061.4 Ų61.452%0.51935%0.345SS..SBendcis-86.8-22.212.934.6-38.7000115.1P219 C222 R223P219-P294 HydrophobicContact CG-CB 3.39Å; C222-P294 WeakPolarHBondContact CA-O 3.49Å; R223-P294 PolarHBondContact N-O 3.43Å
295S87.1Confident85.3Confident81 Ų8167.9 Ų67.957%0.56637%0.372SS*.EExtended strand (participates in β ladder)trans-151.7136.2177.3-173.70000110.8R223 L292R223-S295 WeakPolarHBondContact O-CA 3.26Å; R223-S295 WeakPolarHBondContact O-CB 3.46Å; R223-S295 PolarHBondContact O-OG 3.02Å; L292-S295 CarbonylContact O-C 3.52Å
296A89.4Confident85Confident17 Ų1767.3 Ų67.314%0.1437%0.373CS..EExtended strand (participates in β ladder)trans-141.9158.6178.200000111.9R223 L224 H225 L292R223-A296 PolarHBondContact O-N 3.41Å; L224-A296 WeakPolarHBondContact CA-O 3.21Å; L224-A296 HydrophobicContact CD2-CB 4.4Å; H225-A296 PolarHBondContact N-O 2.98Å; L292-A296 HydrophobicContact CB-CB 4.02Å; L292-A296 HydrophobicContact CD2-CB 3.47Å; L292-A296 VanDerWaalsContact CD2-CB 3.47Å; L292-A296 HydrophobicContact CG-CB 4.38Å; L292-A296 WeakPolarHBondContact O-CB 3.48Å
297V92Very high84.7Confident47 Ų4769.2 Ų69.229%0.28538%0.381SS..EExtended strand (participates in β ladder)trans-108.2120.6173.8-176.30000108.6H225 R227H225-V297 HydrophobicContact CB-CG2 4.33Å; H225-V297 CarbonylContact O-C 3.59Å; H225-V297 VanDerWaalsContact O-CA 3.31Å; H225-V297 WeakPolarHBondContact O-CA 3.31Å; R227-V297 HydrophobicContact CG-CG1 4.25Å
298I92.5Very high84.5Confident0 Ų073.1 Ų73.10%040%0.402CS..EExtended strand (participates in β ladder)trans-108.7129.2176.5-64.4-177.1000108.7L224 H225 I226 R227 L244 V247 L269 M270 T271 L292L224-I298 HydrophobicContact CD2-CD1 3.26Å; L224-I298 HydrophobicContact CD2-CG1 3.85Å; H225-I298 PolarHBondContact O-N 3.32Å; I226-I298 CarbonylContact C-O 3.58Å; I226-I298 VanDerWaalsContact CA-O 3.32Å; I226-I298 WeakPolarHBondContact CA-O 3.47Å; R227-I298 PolarHBondContact N-O 3.09Å; L244-I298 HydrophobicContact CD1-CD1 4.16Å; V247-I298 HydrophobicContact CG1-CD1 4.2Å; L269-I298 HydrophobicContact CB-CG2 3.97Å; L269-I298 HydrophobicContact CD2-CG2 4.02Å; L269-I298 HydrophobicContact CG-CG2 4.47Å; M270-I298 CarbonylContact O-C 3.56Å; T271-I298 HydrophobicContact CG2-CG1 4.34Å; L292-I298 HydrophobicContact CD1-CD1 4.16Å; L292-I298 HydrophobicContact CD2-CD1 4.45Å; L292-I298 HydrophobicContact CD2-CG1 4.43Å
299M90.6Very high84.4Confident59 Ų5971.2 Ų71.229%0.29139%0.393SS..EExtended strand (participates in β ladder)trans-96138168.9-62.7177.5-65.800108.7M270M270-M299 HydrophobicContact CE-CE 4.29Å; M270-M299 HydrophobicContact CG-CB 3.8Å; M270-M299 HydrophobicContact CG-CE 4.16Å; M270-M299 WeakPolarHBondContact CG-O 3.46Å; M270-M299 PolarHBondContact N-O 2.62Å; M270-M299 PolarHBondContact O-N 3.04Å
300V90.3Very high84.1Confident8 Ų869.1 Ų69.15%0.04838%0.383CS..EExtended strand (participates in β ladder)trans-107.8131.6-178.5-173.70000108.9I226 R227 P229 V251 W255 I267 L269I226-V300 HydrophobicContact CG2-CG2 3.3Å; R227-V300 PolarHBondContact O-N 3.47Å; P229-V300 WeakPolarHBondContact CD-O 3.49Å; V251-V300 HydrophobicContact CG1-CB 4.45Å; V251-V300 HydrophobicContact CG1-CG1 3.7Å; V251-V300 HydrophobicContact CG1-CG2 3.93Å; V251-V300 HydrophobicContact CG2-CG2 4.18Å; W255-V300 HydrophobicContact CH2-CG1 3.8Å; W255-V300 HydrophobicContact CZ3-CG1 3.42Å; W255-V300 VanDerWaalsContact CZ3-CG1 3.42Å; I267-V300 HydrophobicContact CG2-CG1 3.24Å; L269-V300 HydrophobicContact CD2-CB 4.48Å; L269-V300 HydrophobicContact CD2-CG1 4.24Å; L269-V300 HydrophobicContact CD2-CG2 3.86Å
301R87.1Confident83.9Confident167 Ų16772.3 Ų72.363%0.6340%0.401SS*.EExtended strand (participates in β ladder)trans-125.6133.9173.4-178.6176.6172.2168.3-0.6109.1R268R268-R301 PolarHBondContact N-O 3.26Å; R268-R301 PolarHBondContact O-N 3.46Å
302Q84Confident83.8Confident75 Ų7573.2 Ų73.235%0.3539%0.386SS..EExtended strand (participates in β ladder)trans-76.4132.6168.2-64.9-176.1-55.400109.1W255 I262 T304W255-Q302 HydrophobicContact CH2-CG 3.29Å; W255-Q302 HydrophobicContact CZ2-CG 3.45Å; W255-Q302 VanDerWaalsContact CZ2-CG 3.45Å; W255-Q302 HydrophobicContact CZ3-CG 4.23Å; I262-Q302 VanDerWaalsContact CD1-NE2 3.34Å; Q302-T304 PolarHBondContact O-N 2.85Å
303I80.8Confident83.5Confident80 Ų8078.5 Ų78.541%0.4141%0.414SS..  trans-8292.8164.5-55.4173.1000105.3S266 R268 Q305S266-I303 PolarHBondContact O-N 3.2Å; R268-I303 HydrophobicContact CB-CD1 4.05Å; R268-I303 HydrophobicContact CB-CG1 3.93Å; I303-Q305 PolarHBondContact O-N 3.43Å
304T68.5Low83.3Confident116 Ų11682.3 Ų82.371%0.71243%0.43SS*.  trans-68.6115.1158.349.40000106.2Q302Q302-T304 PolarHBondContact O-N 2.85Å
305Q51.2Low83Confident258 Ų25882.5 Ų82.5100%1.20642%0.422SS*.  trans-61.20161.9-83.4-168.426.400109.9I303I303-Q305 PolarHBondContact O-N 3.43Å

Retrieved 305 of 305 residues in 85.7 ms (Link to these results)

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