| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 60.1 | Low | 87.7 | Confident | 177 Ų | 177 | 120.8 Ų | 120.8 | 87% | 0.872 | 57% | 0.568 | S | S | * | * | 0 | 144.2 | 0 | -73.4 | -172 | -164 | 0 | 0 | 108.4 | |||||
| 2 | S | 82.4 | Confident | 88.4 | Confident | 77 Ų | 77 | 120 Ų | 120 | 54% | 0.538 | 56% | 0.564 | S | S | . | * | trans | -68.3 | 140.8 | 175.3 | 66.7 | 0 | 0 | 0 | 0 | 109.6 | R4 R5 | S2-R4 PolarHBondContact O-N 2.87Å; S2-R5 PolarHBondContact O-N 3.02Å; S2-R5 PolarHBondContact OG-N 3.48Å | ||
| 3 | H | 84.9 | Confident | 89 | Confident | 146 Ų | 146 | 121.8 Ų | 121.8 | 68% | 0.676 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -48.4 | -33.2 | 174.5 | -170.8 | -81.9 | 0 | 0 | 0 | 112.1 | R5 I6 L7 | H3-R5 PolarHBondContact O-N 3.1Å; H3-I6 PolarHBondContact O-N 3.43Å; H3-L7 WeakPolarHBondContact ND1-CD1 3.39Å; H3-L7 WeakPolarHBondContact O-CG 3.48Å; H3-L7 PolarHBondContact O-N 3.49Å; H3-L7 VanDerWaalsContact O-N 3.1Å |
| 4 | R | 88.2 | Confident | 89.5 | Confident | 179 Ų | 179 | 119.4 Ų | 119.4 | 68% | 0.675 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.8 | -41.3 | 174.4 | -172.6 | 177 | -180 | 172.4 | 2.6 | 113.7 | S2 L7 Q8 | S2-R4 PolarHBondContact O-N 2.87Å; R4-L7 PolarHBondContact O-N 3.38Å; R4-Q8 WeakPolarHBondContact O-CB 3.39Å; R4-Q8 VanDerWaalsContact O-CG 3.25Å; R4-Q8 WeakPolarHBondContact O-CG 3.45Å; R4-Q8 PolarHBondContact O-N 3.18Å |
| 5 | R | 89.8 | Confident | 90 | Very high | 140 Ų | 140 | 119.7 Ų | 119.7 | 53% | 0.528 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.6 | -41.2 | 179.9 | -173.9 | 173.9 | 178.2 | 171.6 | -0.7 | 111.5 | S2 H3 Q8 D9 | S2-R5 PolarHBondContact O-N 3.02Å; S2-R5 PolarHBondContact OG-N 3.48Å; H3-R5 PolarHBondContact O-N 3.1Å; R5-Q8 PolarHBondContact O-N 3.24Å; R5-D9 PolarHBondContact O-N 2.92Å |
| 6 | I | 92.5 | Very high | 90.4 | Very high | 81 Ų | 81 | 115.9 Ų | 115.9 | 42% | 0.415 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.8 | -47.9 | 176.4 | -59.8 | 174.2 | 0 | 0 | 0 | 110.1 | H3 Q8 D9 F10 | H3-I6 PolarHBondContact O-N 3.43Å; I6-Q8 VanDerWaalsContact C-N 3.31Å; I6-Q8 PolarHBondContact O-N 3.03Å; I6-D9 PolarHBondContact O-N 3.32Å; I6-F10 HydrophobicContact CG2-CD2 4.07Å; I6-F10 HydrophobicContact CG2-CE2 3.86Å; I6-F10 WeakPolarHBondContact O-CD2 3.49Å; I6-F10 PolarHBondContact O-N 3.46Å |
| 7 | L | 91.7 | Very high | 90.9 | Very high | 86 Ų | 86 | 111.6 Ų | 111.6 | 45% | 0.45 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58 | -43.1 | 175.9 | -72.1 | 173.6 | 0 | 0 | 0 | 112.3 | H3 R4 D9 F10 E11 | H3-L7 WeakPolarHBondContact ND1-CD1 3.39Å; H3-L7 WeakPolarHBondContact O-CG 3.48Å; H3-L7 PolarHBondContact O-N 3.49Å; H3-L7 VanDerWaalsContact O-N 3.1Å; R4-L7 PolarHBondContact O-N 3.38Å; L7-D9 PolarHBondContact O-N 3.28Å; L7-F10 PolarHBondContact O-N 3.01Å; L7-E11 WeakPolarHBondContact O-CB 3.25Å; L7-E11 WeakPolarHBondContact O-CG 3.45Å; L7-E11 PolarHBondContact O-N 3.49Å |
| 8 | Q | 93.3 | Very high | 91.2 | Very high | 96 Ų | 96 | 107.2 Ų | 107.2 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 178 | -76.6 | 173.5 | -22.7 | 0 | 0 | 112.7 | R4 R5 I6 E11 Q12 | R4-Q8 WeakPolarHBondContact O-CB 3.39Å; R4-Q8 VanDerWaalsContact O-CG 3.25Å; R4-Q8 WeakPolarHBondContact O-CG 3.45Å; R4-Q8 PolarHBondContact O-N 3.18Å; R5-Q8 PolarHBondContact O-N 3.24Å; I6-Q8 VanDerWaalsContact C-N 3.31Å; I6-Q8 PolarHBondContact O-N 3.03Å; Q8-E11 PolarHBondContact O-N 3.46Å; Q8-Q12 VanDerWaalsContact O-CB 3.27Å; Q8-Q12 WeakPolarHBondContact O-CB 3.27Å; Q8-Q12 PolarHBondContact O-N 2.9Å |
| 9 | D | 93.4 | Very high | 91.6 | Very high | 92 Ų | 92 | 109.2 Ų | 109.2 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 178.6 | -67.6 | -25.7 | 0 | 0 | 0 | 111.2 | R5 I6 L7 Q12 Y13 | R5-D9 PolarHBondContact O-N 2.92Å; I6-D9 PolarHBondContact O-N 3.32Å; L7-D9 PolarHBondContact O-N 3.28Å; D9-Q12 PolarHBondContact O-N 3.47Å; D9-Y13 PolarHBondContact O-N 3Å |
| 10 | F | 94 | Very high | 91.9 | Very high | 155 Ų | 155 | 107.3 Ų | 107.3 | 68% | 0.68 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68 | -44.1 | 176.2 | -82.3 | -116.2 | 0 | 0 | 0 | 112.2 | I6 L7 Q12 Y13 Q14 | I6-F10 HydrophobicContact CG2-CD2 4.07Å; I6-F10 HydrophobicContact CG2-CE2 3.86Å; I6-F10 WeakPolarHBondContact O-CD2 3.49Å; I6-F10 PolarHBondContact O-N 3.46Å; L7-F10 PolarHBondContact O-N 3.01Å; F10-Q12 VanDerWaalsContact C-N 3.31Å; F10-Q12 PolarHBondContact O-N 3.45Å; F10-Y13 PolarHBondContact O-N 3.29Å; F10-Q14 PolarHBondContact O-N 3.05Å |
| 11 | E | 94.2 | Very high | 92.2 | Very high | 100 Ų | 100 | 102.2 Ų | 102.2 | 47% | 0.467 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.2 | -40.8 | 174.7 | -76 | 178.6 | -168 | 0 | 0 | 111.7 | L7 Q8 Y13 Q14 K15 | L7-E11 WeakPolarHBondContact O-CB 3.25Å; L7-E11 WeakPolarHBondContact O-CG 3.45Å; L7-E11 PolarHBondContact O-N 3.49Å; Q8-E11 PolarHBondContact O-N 3.46Å; E11-Y13 VanDerWaalsContact C-N 3.35Å; E11-Q14 PolarHBondContact O-N 2.86Å; E11-K15 WeakPolarHBondContact O-CB 3.21Å; E11-K15 WeakPolarHBondContact O-CG 3.33Å; E11-K15 PolarHBondContact O-N 3.47Å |
| 12 | Q | 96.5 | Very high | 94 | Very high | 111 Ų | 111 | 98.2 Ų | 98.2 | 52% | 0.519 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 177.8 | -176.5 | 60.3 | 24 | 0 | 0 | 111.6 | Q8 D9 F10 K15 S16 | Q8-Q12 VanDerWaalsContact O-CB 3.27Å; Q8-Q12 WeakPolarHBondContact O-CB 3.27Å; Q8-Q12 PolarHBondContact O-N 2.9Å; D9-Q12 PolarHBondContact O-N 3.47Å; F10-Q12 VanDerWaalsContact C-N 3.31Å; F10-Q12 PolarHBondContact O-N 3.45Å; Q12-K15 PolarHBondContact O-N 2.9Å; Q12-S16 WeakPolarHBondContact O-CB 3.34Å; Q12-S16 PolarHBondContact O-N 3.46Å; Q12-S16 PolarHBondContact O-OG 2.93Å |
| 13 | Y | 96.2 | Very high | 94.7 | Very high | 143 Ų | 143 | 97.3 Ų | 97.3 | 56% | 0.561 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64.4 | -46.6 | 174.5 | -179.5 | -117.5 | 0 | 0 | 0 | 111.6 | D9 F10 E11 K15 S16 R17 | D9-Y13 PolarHBondContact O-N 3Å; F10-Y13 PolarHBondContact O-N 3.29Å; E11-Y13 VanDerWaalsContact C-N 3.35Å; Y13-K15 PolarHBondContact O-N 2.93Å; Y13-S16 WeakPolarHBondContact O-CB 3.4Å; Y13-S16 PolarHBondContact O-N 3.09Å; Y13-S16 VanDerWaalsContact O-N 3.12Å; Y13-R17 HydrophobicContact CD2-CG 4.48Å; Y13-R17 HydrophobicContact CE1-CG 4.26Å; Y13-R17 HydrophobicContact CE2-CG 4.09Å; Y13-R17 PolarHBondContact O-N 3.47Å |
| 14 | Q | 96.1 | Very high | 95.3 | Very high | 88 Ų | 88 | 90.6 Ų | 90.6 | 41% | 0.411 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59 | -44.5 | 175.5 | -179.9 | 177.8 | -38.4 | 0 | 0 | 112.2 | F10 E11 S16 R17 T18 V54 I57 | F10-Q14 PolarHBondContact O-N 3.05Å; E11-Q14 PolarHBondContact O-N 2.86Å; Q14-S16 VanDerWaalsContact C-N 3.31Å; Q14-S16 PolarHBondContact O-N 3.12Å; Q14-R17 PolarHBondContact O-N 2.8Å; Q14-T18 WeakPolarHBondContact O-CB 3.46Å; Q14-T18 PolarHBondContact O-N 3.42Å; Q14-T18 PolarHBondContact O-OG1 2.96Å; Q14-V54 HydrophobicContact CG-CG2 3.95Å; Q14-I57 HydrophobicContact CG-CD1 4.39Å |
| 15 | K | 96.3 | Very high | 95.7 | Very high | 125 Ų | 125 | 82.3 Ų | 82.3 | 54% | 0.543 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.8 | -39.8 | 174.6 | -75.9 | 173.9 | -176.8 | 169.5 | 0 | 111.9 | E11 Q12 Y13 T18 K19 | E11-K15 WeakPolarHBondContact O-CB 3.21Å; E11-K15 WeakPolarHBondContact O-CG 3.33Å; E11-K15 PolarHBondContact O-N 3.47Å; Q12-K15 PolarHBondContact O-N 2.9Å; Y13-K15 PolarHBondContact O-N 2.93Å; K15-T18 PolarHBondContact O-N 2.73Å; K15-K19 WeakPolarHBondContact O-CB 3.48Å; K15-K19 PolarHBondContact O-N 3.39Å |
| 16 | S | 97.5 | Very high | 96.1 | Very high | 58 Ų | 58 | 81.8 Ų | 81.8 | 41% | 0.406 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.8 | -44.3 | 178.8 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | Q12 Y13 Q14 K19 F20 | Q12-S16 WeakPolarHBondContact O-CB 3.34Å; Q12-S16 PolarHBondContact O-N 3.46Å; Q12-S16 PolarHBondContact O-OG 2.93Å; Y13-S16 WeakPolarHBondContact O-CB 3.4Å; Y13-S16 PolarHBondContact O-N 3.09Å; Y13-S16 VanDerWaalsContact O-N 3.12Å; Q14-S16 VanDerWaalsContact C-N 3.31Å; Q14-S16 PolarHBondContact O-N 3.12Å; S16-K19 PolarHBondContact O-N 3.33Å; S16-F20 WeakPolarHBondContact O-CB 3.19Å; S16-F20 PolarHBondContact O-N 2.99Å |
| 17 | R | 97.5 | Very high | 96.3 | Very high | 43 Ų | 43 | 81.3 Ų | 81.3 | 16% | 0.162 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 173.7 | -67.4 | -171 | -61.1 | -177.5 | 9.4 | 112 | Y13 Q14 F20 V21 L49 D52 I57 | Y13-R17 HydrophobicContact CD2-CG 4.48Å; Y13-R17 HydrophobicContact CE1-CG 4.26Å; Y13-R17 HydrophobicContact CE2-CG 4.09Å; Y13-R17 PolarHBondContact O-N 3.47Å; Q14-R17 PolarHBondContact O-N 2.8Å; R17-F20 PolarHBondContact O-N 3.38Å; R17-V21 WeakPolarHBondContact O-CG2 3.5Å; R17-V21 PolarHBondContact O-N 2.94Å; R17-L49 HydrophobicContact CB-CD2 4.31Å; R17-L49 HydrophobicContact CG-CD2 4.15Å; R17-D52 VanDerWaalsContact CD-OD2 3.26Å; R17-D52 WeakPolarHBondContact CD-OD2 3.27Å; R17-D52 IonicContact CZ-OD1 3.67Å; R17-D52 IonicContact CZ-OD2 3.38Å; R17-D52 IonicContact NE-OD2 2.88Å; R17-D52 PolarHBondContact NE-OD2 3.12Å; R17-D52 VanDerWaalsContact NE-OD2 3.12Å; R17-D52 IonicContact NH1-OD1 2.63Å; R17-D52 IonicContact NH1-OD2 3.64Å; R17-D52 PolarHBondContact NH1-OD2 2.91Å; R17-D52 IonicContact NH2-OD1 3.23Å; R17-D52 PolarHBondContact NH2-OD1 2.93Å; R17-D52 VanDerWaalsContact NH2-OD1 3.09Å; R17-D52 IonicContact NH2-OD2 3.09Å; R17-D52 PolarHBondContact NH2-OD2 2.86Å; R17-I57 HydrophobicContact CB-CD1 3.82Å |
| 18 | T | 97.3 | Very high | 96.5 | Very high | 33 Ų | 33 | 77.2 Ų | 77.2 | 20% | 0.202 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.4 | -50.2 | 177.4 | -55.5 | 0 | 0 | 0 | 0 | 111.3 | Q14 K15 F20 V21 Q22 I57 | Q14-T18 WeakPolarHBondContact O-CB 3.46Å; Q14-T18 PolarHBondContact O-N 3.42Å; Q14-T18 PolarHBondContact O-OG1 2.96Å; K15-T18 PolarHBondContact O-N 2.73Å; T18-F20 VanDerWaalsContact C-N 3.31Å; T18-F20 PolarHBondContact O-N 3.23Å; T18-V21 WeakPolarHBondContact O-CG2 3.2Å; T18-V21 PolarHBondContact O-N 3.08Å; T18-Q22 WeakPolarHBondContact O-CB 3.33Å; T18-Q22 VanDerWaalsContact O-CG 3.3Å; T18-Q22 WeakPolarHBondContact O-CG 3.39Å; T18-Q22 PolarHBondContact O-N 2.71Å; T18-Q22 VanDerWaalsContact O-N 3.1Å; T18-I57 WeakPolarHBondContact OG1-CD1 3.39Å |
| 19 | K | 97.8 | Very high | 96.6 | Very high | 145 Ų | 145 | 76.4 Ų | 76.4 | 63% | 0.63 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.1 | -43.7 | 177.5 | -175.8 | 176.7 | -179.4 | -179.9 | 0 | 111.1 | K15 S16 Q22 T23 | K15-K19 WeakPolarHBondContact O-CB 3.48Å; K15-K19 PolarHBondContact O-N 3.39Å; S16-K19 PolarHBondContact O-N 3.33Å; K19-Q22 PolarHBondContact O-N 2.66Å; K19-T23 WeakPolarHBondContact O-CB 3.37Å; K19-T23 PolarHBondContact O-N 3.37Å; K19-T23 PolarHBondContact O-OG1 3.07Å |
| 20 | F | 98 | Very high | 96.6 | Very high | 71 Ų | 71 | 76.5 Ų | 76.5 | 31% | 0.311 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.3 | -53.2 | 179 | 177.5 | -101.9 | 0 | 0 | 0 | 112.1 | S16 R17 T18 Q22 T23 V24 L45 L46 L49 | S16-F20 WeakPolarHBondContact O-CB 3.19Å; S16-F20 PolarHBondContact O-N 2.99Å; R17-F20 PolarHBondContact O-N 3.38Å; T18-F20 VanDerWaalsContact C-N 3.31Å; T18-F20 PolarHBondContact O-N 3.23Å; F20-Q22 VanDerWaalsContact C-N 3.31Å; F20-Q22 PolarHBondContact O-N 3.28Å; F20-T23 PolarHBondContact O-N 2.63Å; F20-V24 HydrophobicContact CD1-CG2 4.46Å; F20-V24 HydrophobicContact CD2-CG2 4.2Å; F20-V24 HydrophobicContact CE1-CG2 4.1Å; F20-V24 HydrophobicContact CE2-CG2 3.81Å; F20-V24 HydrophobicContact CZ-CG2 3.76Å; F20-V24 WeakPolarHBondContact O-CG2 3.3Å; F20-V24 PolarHBondContact O-N 3.03Å; F20-L45 HydrophobicContact CE1-CB 3.94Å; F20-L45 HydrophobicContact CE2-CD1 4.26Å; F20-L45 HydrophobicContact CZ-CB 3.73Å; F20-L45 HydrophobicContact CZ-CD1 3.76Å; F20-L45 HydrophobicContact CZ-CG 4.41Å; F20-L46 HydrophobicContact CE1-CD2 4.26Å; F20-L49 HydrophobicContact CD1-CD1 3.6Å; F20-L49 HydrophobicContact CE1-CD1 3.86Å |
| 21 | V | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.6 | -37.1 | -179.5 | -63.6 | 0 | 0 | 0 | 0 | 112.4 | R17 T18 A25 L46 L49 I57 T60 A61 | R17-V21 WeakPolarHBondContact O-CG2 3.5Å; R17-V21 PolarHBondContact O-N 2.94Å; T18-V21 WeakPolarHBondContact O-CG2 3.2Å; T18-V21 PolarHBondContact O-N 3.08Å; V21-A25 VanDerWaalsContact O-CB 3.23Å; V21-A25 WeakPolarHBondContact O-CB 3.35Å; V21-A25 PolarHBondContact O-N 3.07Å; V21-L46 HydrophobicContact CG1-CD2 4.27Å; V21-L49 HydrophobicContact CG1-CB 4.18Å; V21-L49 HydrophobicContact CG1-CD1 3.47Å; V21-L49 VanDerWaalsContact CG1-CD1 3.47Å; V21-L49 HydrophobicContact CG1-CG 4.38Å; V21-I57 HydrophobicContact CG1-CG2 3.93Å; V21-I57 HydrophobicContact CG2-CG2 4.13Å; V21-T60 HydrophobicContact CB-CG2 3.85Å; V21-T60 HydrophobicContact CG2-CG2 3.73Å; V21-T60 WeakPolarHBondContact O-CG2 3.44Å; V21-A61 HydrophobicContact CG1-CB 4.07Å |
| 22 | Q | 97.7 | Very high | 96.5 | Very high | 93 Ų | 93 | 74.2 Ų | 74.2 | 44% | 0.435 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.5 | -50.9 | 176 | -74.2 | 174 | -24.5 | 0 | 0 | 111.3 | T18 K19 F20 V24 A25 E26 T60 | T18-Q22 WeakPolarHBondContact O-CB 3.33Å; T18-Q22 VanDerWaalsContact O-CG 3.3Å; T18-Q22 WeakPolarHBondContact O-CG 3.39Å; T18-Q22 PolarHBondContact O-N 2.71Å; T18-Q22 VanDerWaalsContact O-N 3.1Å; K19-Q22 PolarHBondContact O-N 2.66Å; F20-Q22 VanDerWaalsContact C-N 3.31Å; F20-Q22 PolarHBondContact O-N 3.28Å; Q22-V24 VanDerWaalsContact C-N 3.35Å; Q22-V24 PolarHBondContact O-N 3.33Å; Q22-A25 PolarHBondContact O-N 3.1Å; Q22-E26 WeakPolarHBondContact O-CB 3.48Å; Q22-E26 WeakPolarHBondContact O-CG 3.28Å; Q22-E26 PolarHBondContact O-N 3.4Å; Q22-T60 HydrophobicContact CG-CG2 4.27Å |
| 23 | T | 97.9 | Very high | 96.5 | Very high | 58 Ų | 58 | 70.7 Ų | 70.7 | 36% | 0.356 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 178.2 | -61.5 | 0 | 0 | 0 | 0 | 111.2 | K19 F20 E26 L27 | K19-T23 WeakPolarHBondContact O-CB 3.37Å; K19-T23 PolarHBondContact O-N 3.37Å; K19-T23 PolarHBondContact O-OG1 3.07Å; F20-T23 PolarHBondContact O-N 2.63Å; T23-E26 PolarHBondContact O-N 2.97Å; T23-L27 HydrophobicContact CG2-CD1 3.83Å; T23-L27 HydrophobicContact CG2-CG 4.3Å; T23-L27 WeakPolarHBondContact O-CB 3.26Å; T23-L27 VanDerWaalsContact O-CG 3.23Å; T23-L27 WeakPolarHBondContact O-CG 3.34Å; T23-L27 PolarHBondContact O-N 2.85Å |
| 24 | V | 97.6 | Very high | 96.3 | Very high | 6 Ų | 6 | 64 Ų | 64 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 178 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | F20 Q22 E26 L27 A28 V42 L46 A64 | F20-V24 HydrophobicContact CD1-CG2 4.46Å; F20-V24 HydrophobicContact CD2-CG2 4.2Å; F20-V24 HydrophobicContact CE1-CG2 4.1Å; F20-V24 HydrophobicContact CE2-CG2 3.81Å; F20-V24 HydrophobicContact CZ-CG2 3.76Å; F20-V24 WeakPolarHBondContact O-CG2 3.3Å; F20-V24 PolarHBondContact O-N 3.03Å; Q22-V24 VanDerWaalsContact C-N 3.35Å; Q22-V24 PolarHBondContact O-N 3.33Å; V24-E26 VanDerWaalsContact C-N 3.35Å; V24-E26 PolarHBondContact O-N 3.16Å; V24-L27 PolarHBondContact O-N 3.25Å; V24-A28 VanDerWaalsContact O-CB 3.25Å; V24-A28 WeakPolarHBondContact O-CB 3.44Å; V24-A28 PolarHBondContact O-N 2.93Å; V24-V42 HydrophobicContact CB-CG2 4.4Å; V24-V42 HydrophobicContact CG1-CG2 3.41Å; V24-V42 VanDerWaalsContact CG1-CG2 3.41Å; V24-V42 HydrophobicContact CG2-CG2 4.01Å; V24-L46 HydrophobicContact CG1-CD1 4.04Å; V24-L46 HydrophobicContact CG1-CD2 4.31Å; V24-L46 HydrophobicContact CG1-CG 4.5Å; V24-A64 HydrophobicContact CG1-CB 3.98Å |
| 25 | A | 96.5 | Very high | 96.1 | Very high | 4 Ų | 4 | 65.3 Ų | 65.3 | 3% | 0.033 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60 | -46.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V21 Q22 A28 V29 T60 A64 R67 | V21-A25 VanDerWaalsContact O-CB 3.23Å; V21-A25 WeakPolarHBondContact O-CB 3.35Å; V21-A25 PolarHBondContact O-N 3.07Å; Q22-A25 PolarHBondContact O-N 3.1Å; A25-A28 PolarHBondContact O-N 3.42Å; A25-V29 PolarHBondContact O-N 3.48Å; A25-T60 HydrophobicContact CB-CG2 3.94Å; A25-A64 HydrophobicContact CB-CB 4.04Å; A25-R67 VanDerWaalsContact O-CD 3.26Å; A25-R67 WeakPolarHBondContact O-CD 3.44Å; A25-R67 PolarHBondContact O-NH1 3.18Å |
| 26 | E | 97.4 | Very high | 96 | Very high | 129 Ų | 129 | 63.4 Ų | 63.4 | 60% | 0.603 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.9 | -49.1 | 177 | -74.5 | 169.7 | -172.4 | 0 | 0 | 112 | Q22 T23 V24 A28 V29 | Q22-E26 WeakPolarHBondContact O-CB 3.48Å; Q22-E26 WeakPolarHBondContact O-CG 3.28Å; Q22-E26 PolarHBondContact O-N 3.4Å; T23-E26 PolarHBondContact O-N 2.97Å; V24-E26 VanDerWaalsContact C-N 3.35Å; V24-E26 PolarHBondContact O-N 3.16Å; E26-A28 VanDerWaalsContact C-N 3.28Å; E26-A28 PolarHBondContact O-N 3.39Å; E26-V29 WeakPolarHBondContact O-CB 3.32Å; E26-V29 WeakPolarHBondContact O-CG2 3.35Å; E26-V29 PolarHBondContact O-N 3.14Å; E26-V29 VanDerWaalsContact O-N 3.14Å |
| 27 | L | 97.3 | Very high | 95.9 | Very high | 72 Ų | 72 | 61.3 Ų | 61.3 | 38% | 0.377 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.9 | -38.7 | 178.2 | -70.6 | 173.7 | 0 | 0 | 0 | 111.8 | T23 V24 V29 Q30 N33 L37 | T23-L27 HydrophobicContact CG2-CD1 3.83Å; T23-L27 HydrophobicContact CG2-CG 4.3Å; T23-L27 WeakPolarHBondContact O-CB 3.26Å; T23-L27 VanDerWaalsContact O-CG 3.23Å; T23-L27 WeakPolarHBondContact O-CG 3.34Å; T23-L27 PolarHBondContact O-N 2.85Å; V24-L27 PolarHBondContact O-N 3.25Å; L27-V29 PolarHBondContact O-N 3.29Å; L27-Q30 PolarHBondContact O-N 3.46Å; L27-N33 HydrophobicContact CB-CB 4.46Å; L27-N33 WeakPolarHBondContact O-CB 3.19Å; L27-N33 PolarHBondContact O-ND2 2.7Å; L27-L37 HydrophobicContact CB-CD1 4.05Å; L27-L37 HydrophobicContact CB-CD2 4.49Å; L27-L37 HydrophobicContact CD1-CD2 4.25Å |
| 28 | A | 96.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -6.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | V24 A25 E26 Q30 I34 L37 R67 L68 H71 | V24-A28 VanDerWaalsContact O-CB 3.25Å; V24-A28 WeakPolarHBondContact O-CB 3.44Å; V24-A28 PolarHBondContact O-N 2.93Å; A25-A28 PolarHBondContact O-N 3.42Å; E26-A28 VanDerWaalsContact C-N 3.28Å; E26-A28 PolarHBondContact O-N 3.39Å; A28-Q30 PolarHBondContact O-N 3.1Å; A28-I34 HydrophobicContact CB-CD1 4.05Å; A28-L37 HydrophobicContact CB-CD1 4.1Å; A28-R67 HydrophobicContact CB-CB 3.73Å; A28-L68 HydrophobicContact CB-CD2 4.22Å; A28-L68 HydrophobicContact CB-CG 4.21Å; A28-H71 PolarHBondContact O-CD2 3.5Å; A28-H71 PolarHBondContact O-NE2 3.39Å; A28-H71 VanDerWaalsContact O-NE2 3.16Å |
| 29 | V | 95.5 | Very high | 95.3 | Very high | 78 Ų | 78 | 66 Ų | 66 | 47% | 0.473 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -36.8 | 169.8 | 177.2 | 0 | 0 | 0 | 0 | 110.4 | A25 E26 L27 H71 | A25-V29 PolarHBondContact O-N 3.48Å; E26-V29 WeakPolarHBondContact O-CB 3.32Å; E26-V29 WeakPolarHBondContact O-CG2 3.35Å; E26-V29 PolarHBondContact O-N 3.14Å; E26-V29 VanDerWaalsContact O-N 3.14Å; L27-V29 PolarHBondContact O-N 3.29Å; V29-H71 PolarHBondContact O-NE2 3.04Å |
| 30 | Q | 93.8 | Very high | 95.1 | Very high | 95 Ų | 95 | 65.1 Ų | 65.1 | 44% | 0.444 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -91.7 | 121.6 | -173.3 | -69.5 | -176.2 | 3.9 | 0 | 0 | 111.3 | L27 A28 Q32 N33 | L27-Q30 PolarHBondContact O-N 3.46Å; A28-Q30 PolarHBondContact O-N 3.1Å; Q30-Q32 HydrophobicContact CB-CG 4.48Å; Q30-Q32 PolarHBondContact O-N 3.42Å; Q30-Q32 VanDerWaalsContact O-N 3.16Å; Q30-N33 PolarHBondContact O-N 2.91Å; Q30-N33 VanDerWaalsContact O-N 3.1Å; Q30-N33 PolarHBondContact OE1-ND2 2.95Å |
| 31 | P | 92.1 | Very high | 94.8 | Very high | 82 Ų | 82 | 63.1 Ų | 63.1 | 53% | 0.532 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -55.1 | -34.4 | -177.9 | -25 | 31.8 | 0 | 0 | 0 | 114.4 | N33 I34 | P31-N33 VanDerWaalsContact C-N 3.26Å; P31-N33 PolarHBondContact O-N 3.31Å; P31-I34 WeakPolarHBondContact O-CB 3.49Å; P31-I34 VanDerWaalsContact O-CG1 3.27Å; P31-I34 WeakPolarHBondContact O-CG1 3.3Å; P31-I34 PolarHBondContact O-N 2.57Å |
| 32 | Q | 93.8 | Very high | 94.6 | Very high | 125 Ų | 125 | 63.3 Ų | 63.3 | 58% | 0.584 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -67 | -22.8 | -178.8 | 65.1 | -88.1 | 24.9 | 0 | 0 | 114.2 | Q30 I34 | Q30-Q32 HydrophobicContact CB-CG 4.48Å; Q30-Q32 PolarHBondContact O-N 3.42Å; Q30-Q32 VanDerWaalsContact O-N 3.16Å; Q32-I34 VanDerWaalsContact C-N 3.35Å |
| 33 | N | 95.1 | Very high | 94.3 | Very high | 37 Ų | 37 | 59.8 Ų | 59.8 | 20% | 0.198 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -84.4 | -15.1 | -179 | -65.2 | -22.7 | 0 | 0 | 0 | 112.3 | L27 Q30 P31 E35 V36 L37 | L27-N33 HydrophobicContact CB-CB 4.46Å; L27-N33 WeakPolarHBondContact O-CB 3.19Å; L27-N33 PolarHBondContact O-ND2 2.7Å; Q30-N33 PolarHBondContact O-N 2.91Å; Q30-N33 VanDerWaalsContact O-N 3.1Å; Q30-N33 PolarHBondContact OE1-ND2 2.95Å; P31-N33 VanDerWaalsContact C-N 3.26Å; P31-N33 PolarHBondContact O-N 3.31Å; N33-E35 PolarHBondContact O-N 3.43Å; N33-V36 PolarHBondContact O-N 3.39Å; N33-L37 HydrophobicContact CB-CD1 4.45Å; N33-L37 VanDerWaalsContact O-CG 3.3Å; N33-L37 WeakPolarHBondContact O-CG 3.48Å; N33-L37 PolarHBondContact O-N 3.45Å |
| 34 | I | 93.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65 | -42.1 | -169 | -57.3 | -60.5 | 0 | 0 | 0 | 111.6 | A28 P31 Q32 L37 Q38 L68 H71 R72 L75 | A28-I34 HydrophobicContact CB-CD1 4.05Å; P31-I34 WeakPolarHBondContact O-CB 3.49Å; P31-I34 VanDerWaalsContact O-CG1 3.27Å; P31-I34 WeakPolarHBondContact O-CG1 3.3Å; P31-I34 PolarHBondContact O-N 2.57Å; Q32-I34 VanDerWaalsContact C-N 3.35Å; I34-L37 PolarHBondContact O-N 2.85Å; I34-Q38 WeakPolarHBondContact O-CB 3.44Å; I34-Q38 PolarHBondContact O-N 3.34Å; I34-L68 HydrophobicContact CD1-CD2 3.91Å; I34-L68 HydrophobicContact CG2-CD2 4.26Å; I34-H71 HydrophobicContact CD1-CB 4.45Å; I34-H71 VanDerWaalsContact CD1-CD2 3.48Å; I34-H71 WeakPolarHBondContact CD1-CD2 3.44Å; I34-H71 HydrophobicContact CG1-CB 3.98Å; I34-H71 HydrophobicContact CG2-CB 4.45Å; I34-R72 HydrophobicContact CG2-CB 4.47Å; I34-R72 HydrophobicContact CG2-CG 4Å; I34-L75 HydrophobicContact CG2-CD1 3.27Å |
| 35 | E | 91.2 | Very high | 93.8 | Very high | 115 Ų | 115 | 64.9 Ų | 64.9 | 54% | 0.537 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 177.1 | -175.4 | 175.5 | 178.9 | 0 | 0 | 111.8 | N33 Q38 N39 | N33-E35 PolarHBondContact O-N 3.43Å; E35-Q38 PolarHBondContact O-N 3.37Å; E35-N39 WeakPolarHBondContact O-CB 3.41Å; E35-N39 PolarHBondContact O-N 3.12Å; E35-N39 PolarHBondContact O-ND2 2.99Å |
| 36 | V | 94.7 | Very high | 93.6 | Very high | 85 Ų | 85 | 64.7 Ų | 64.7 | 52% | 0.515 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 177.1 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | N33 Q38 N39 L40 | N33-V36 PolarHBondContact O-N 3.39Å; V36-Q38 VanDerWaalsContact C-N 3.33Å; V36-Q38 PolarHBondContact O-N 3.33Å; V36-N39 PolarHBondContact O-N 3.15Å; V36-L40 HydrophobicContact CG1-CD1 4.11Å; V36-L40 VanDerWaalsContact O-CG 3.29Å; V36-L40 WeakPolarHBondContact O-CG 3.36Å; V36-L40 PolarHBondContact O-N 3.37Å |
| 37 | L | 94.5 | Very high | 93.2 | Very high | 14 Ų | 14 | 64 Ų | 64 | 7% | 0.073 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 177.4 | -69.4 | 172.4 | 0 | 0 | 0 | 111.7 | L27 A28 N33 I34 L40 G41 V42 L68 | L27-L37 HydrophobicContact CB-CD1 4.05Å; L27-L37 HydrophobicContact CB-CD2 4.49Å; L27-L37 HydrophobicContact CD1-CD2 4.25Å; A28-L37 HydrophobicContact CB-CD1 4.1Å; N33-L37 HydrophobicContact CB-CD1 4.45Å; N33-L37 VanDerWaalsContact O-CG 3.3Å; N33-L37 WeakPolarHBondContact O-CG 3.48Å; N33-L37 PolarHBondContact O-N 3.45Å; I34-L37 PolarHBondContact O-N 2.85Å; L37-L40 PolarHBondContact O-N 3.26Å; L37-G41 PolarHBondContact O-N 3.07Å; L37-V42 HydrophobicContact CB-CB 4.2Å; L37-V42 HydrophobicContact CB-CG1 3.93Å; L37-V42 HydrophobicContact CD2-CG2 4.49Å; L37-V42 WeakPolarHBondContact O-CB 2.66Å; L37-V42 VanDerWaalsContact O-CG1 3.27Å; L37-V42 WeakPolarHBondContact O-CG1 3.27Å; L37-V42 PolarHBondContact O-N 3.29Å; L37-V42 VanDerWaalsContact O-N 3.08Å; L37-L68 HydrophobicContact CB-CD2 4.23Å; L37-L68 HydrophobicContact CD1-CD2 4.07Å |
| 38 | Q | 91.3 | Very high | 92.9 | Very high | 51 Ų | 51 | 64.5 Ų | 64.5 | 24% | 0.238 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 175.1 | -179.8 | 173.8 | 17.1 | 0 | 0 | 111.7 | I34 E35 V36 L40 G41 D74 L75 | I34-Q38 WeakPolarHBondContact O-CB 3.44Å; I34-Q38 PolarHBondContact O-N 3.34Å; E35-Q38 PolarHBondContact O-N 3.37Å; V36-Q38 VanDerWaalsContact C-N 3.33Å; V36-Q38 PolarHBondContact O-N 3.33Å; Q38-L40 PolarHBondContact O-N 3.01Å; Q38-G41 PolarHBondContact O-N 3.47Å; Q38-D74 PolarHBondContact NE2-OD2 2.91Å; Q38-D74 PolarHBondContact OE1-OD2 3.06Å; Q38-L75 HydrophobicContact CB-CD2 4Å; Q38-L75 HydrophobicContact CG-CD2 3.67Å |
| 39 | N | 91.6 | Very high | 92.8 | Very high | 124 Ų | 124 | 65.3 Ų | 65.3 | 66% | 0.663 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63.7 | -29.4 | 179.3 | -70.1 | -20.2 | 0 | 0 | 0 | 112.7 | E35 V36 G41 | E35-N39 WeakPolarHBondContact O-CB 3.41Å; E35-N39 PolarHBondContact O-N 3.12Å; E35-N39 PolarHBondContact O-ND2 2.99Å; V36-N39 PolarHBondContact O-N 3.15Å; N39-G41 PolarHBondContact O-N 2.93Å |
| 40 | L | 93.8 | Very high | 92.5 | Very high | 126 Ų | 126 | 61.7 Ų | 61.7 | 66% | 0.66 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 1.4 | 172.7 | -67.8 | 173.5 | 0 | 0 | 0 | 113.6 | V36 L37 Q38 | V36-L40 HydrophobicContact CG1-CD1 4.11Å; V36-L40 VanDerWaalsContact O-CG 3.29Å; V36-L40 WeakPolarHBondContact O-CG 3.36Å; V36-L40 PolarHBondContact O-N 3.37Å; L37-L40 PolarHBondContact O-N 3.26Å; Q38-L40 PolarHBondContact O-N 3.01Å |
| 41 | G | 91.8 | Very high | 92.3 | Very high | 29 Ų | 29 | 62.4 Ų | 62.4 | 30% | 0.299 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 29.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | L37 Q38 N39 L43 S44 | L37-G41 PolarHBondContact O-N 3.07Å; Q38-G41 PolarHBondContact O-N 3.47Å; N39-G41 PolarHBondContact O-N 2.93Å; G41-L43 PolarHBondContact O-N 3.19Å; G41-S44 PolarHBondContact O-N 2.79Å; G41-S44 VanDerWaalsContact O-N 3.1Å; G41-S44 PolarHBondContact O-OG 3Å |
| 42 | V | 94.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.024 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -53 | -32.9 | -173.2 | 72.2 | 0 | 0 | 0 | 0 | 114.2 | V24 L37 S44 L45 L46 L68 | V24-V42 HydrophobicContact CB-CG2 4.4Å; V24-V42 HydrophobicContact CG1-CG2 3.41Å; V24-V42 VanDerWaalsContact CG1-CG2 3.41Å; V24-V42 HydrophobicContact CG2-CG2 4.01Å; L37-V42 HydrophobicContact CB-CB 4.2Å; L37-V42 HydrophobicContact CB-CG1 3.93Å; L37-V42 HydrophobicContact CD2-CG2 4.49Å; L37-V42 WeakPolarHBondContact O-CB 2.66Å; L37-V42 VanDerWaalsContact O-CG1 3.27Å; L37-V42 WeakPolarHBondContact O-CG1 3.27Å; L37-V42 PolarHBondContact O-N 3.29Å; L37-V42 VanDerWaalsContact O-N 3.08Å; V42-S44 PolarHBondContact O-N 3.1Å; V42-L45 PolarHBondContact O-N 3.14Å; V42-L46 HydrophobicContact CG2-CD1 3.98Å; V42-L46 HydrophobicContact CG2-CG 4.12Å; V42-L46 WeakPolarHBondContact O-CG 3.22Å; V42-L46 PolarHBondContact O-N 3.41Å; V42-L68 HydrophobicContact CG1-CD1 3.58Å; V42-L68 HydrophobicContact CG1-CD2 4.21Å; V42-L68 HydrophobicContact CG2-CD1 4.46Å |
| 43 | L | 90.5 | Very high | 91.9 | Very high | 20 Ų | 20 | 58.7 Ų | 58.7 | 11% | 0.105 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.8 | -39.6 | -177.9 | -65.9 | -177.8 | 0 | 0 | 0 | 112.4 | G41 L45 L46 R47 L65 L68 L75 V78 I79 | G41-L43 PolarHBondContact O-N 3.19Å; L43-L45 PolarHBondContact O-N 3.31Å; L43-L46 PolarHBondContact O-N 3.25Å; L43-R47 WeakPolarHBondContact O-CB 3.43Å; L43-R47 PolarHBondContact O-N 3.29Å; L43-L65 HydrophobicContact CD2-CD2 3.36Å; L43-L68 HydrophobicContact CD2-CD1 3.8Å; L43-L75 HydrophobicContact CD1-CD2 3.82Å; L43-L75 HydrophobicContact CG-CD2 4.44Å; L43-V78 HydrophobicContact CD1-CB 3.82Å; L43-V78 HydrophobicContact CD1-CG1 3.44Å; L43-V78 VanDerWaalsContact CD1-CG1 3.44Å; L43-I79 HydrophobicContact CD1-CG1 4.12Å; L43-I79 HydrophobicContact CD2-CD1 4.12Å; L43-I79 HydrophobicContact CD2-CG1 3.89Å |
| 44 | S | 90.4 | Very high | 91.7 | Very high | 84 Ų | 84 | 58 Ų | 58 | 59% | 0.587 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -68.6 | -27.4 | 177.3 | 65.4 | 0 | 0 | 0 | 0 | 111.7 | G41 V42 P48 | G41-S44 PolarHBondContact O-N 2.79Å; G41-S44 VanDerWaalsContact O-N 3.1Å; G41-S44 PolarHBondContact O-OG 3Å; V42-S44 PolarHBondContact O-N 3.1Å; S44-P48 WeakPolarHBondContact O-CD 3.3Å |
| 45 | L | 94.1 | Very high | 91.5 | Very high | 87 Ų | 87 | 61 Ų | 61 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -79.9 | -33.8 | 175.7 | -57.9 | 179 | 0 | 0 | 0 | 112.8 | F20 V42 L43 L49 | F20-L45 HydrophobicContact CE1-CB 3.94Å; F20-L45 HydrophobicContact CE2-CD1 4.26Å; F20-L45 HydrophobicContact CZ-CB 3.73Å; F20-L45 HydrophobicContact CZ-CD1 3.76Å; F20-L45 HydrophobicContact CZ-CG 4.41Å; V42-L45 PolarHBondContact O-N 3.14Å; L43-L45 PolarHBondContact O-N 3.31Å; L45-L49 WeakPolarHBondContact O-CD1 3.35Å; L45-L49 WeakPolarHBondContact O-CG 3.34Å |
| 46 | L | 93.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -77.5 | -31.7 | 177.9 | -72.5 | 176.1 | 0 | 0 | 0 | 113 | F20 V21 V24 V42 L43 L49 L50 A61 A64 L65 L68 | F20-L46 HydrophobicContact CE1-CD2 4.26Å; V21-L46 HydrophobicContact CG1-CD2 4.27Å; V24-L46 HydrophobicContact CG1-CD1 4.04Å; V24-L46 HydrophobicContact CG1-CD2 4.31Å; V24-L46 HydrophobicContact CG1-CG 4.5Å; V42-L46 HydrophobicContact CG2-CD1 3.98Å; V42-L46 HydrophobicContact CG2-CG 4.12Å; V42-L46 WeakPolarHBondContact O-CG 3.22Å; V42-L46 PolarHBondContact O-N 3.41Å; L43-L46 PolarHBondContact O-N 3.25Å; L46-L49 WeakPolarHBondContact O-CA 3.45Å; L46-L49 WeakPolarHBondContact O-CB 3.14Å; L46-L49 PolarHBondContact O-N 3.44Å; L46-L50 PolarHBondContact O-N 3.22Å; L46-A61 HydrophobicContact CD2-CB 4.26Å; L46-A64 HydrophobicContact CD1-CB 3.75Å; L46-A64 HydrophobicContact CD2-CB 4.14Å; L46-L65 HydrophobicContact CB-CD2 3.95Å; L46-L65 HydrophobicContact CB-CG 4.24Å; L46-L65 HydrophobicContact CD1-CD2 3.71Å; L46-L65 HydrophobicContact CD1-CG 4.02Å; L46-L68 HydrophobicContact CD1-CD1 3.78Å |
| 47 | R | 89.3 | Confident | 91.5 | Very high | 115 Ų | 115 | 55.2 Ų | 55.2 | 43% | 0.434 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -55.2 | -49.2 | -176 | 177.9 | 179.2 | -177 | -171 | 5.7 | 113.1 | L43 L49 L50 G82 I84 | L43-R47 WeakPolarHBondContact O-CB 3.43Å; L43-R47 PolarHBondContact O-N 3.29Å; R47-L49 PolarHBondContact O-N 3.31Å; R47-L50 WeakPolarHBondContact O-CB 3.41Å; R47-L50 PolarHBondContact O-N 3.27Å; R47-G82 PolarHBondContact NE-O 3.4Å; R47-G82 VanDerWaalsContact NE-O 3.14Å; R47-G82 PolarHBondContact NH1-O 3.45Å; R47-G82 VanDerWaalsContact NH1-O 3.14Å; R47-G82 PolarHBondContact NH2-O 3.2Å; R47-I84 HydrophobicContact CB-CD1 4.3Å; R47-I84 HydrophobicContact CG-CD1 4.41Å; R47-I84 HydrophobicContact CG-CG1 4.14Å |
| 48 | P | 91 | Very high | 91.3 | Very high | 82 Ų | 82 | 55.5 Ų | 55.5 | 53% | 0.532 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.3 | -29.2 | 175.6 | -22.1 | 33.6 | 0 | 0 | 0 | 113.3 | S44 L50 L51 | S44-P48 WeakPolarHBondContact O-CD 3.3Å; P48-L50 VanDerWaalsContact C-N 3.27Å; P48-L50 PolarHBondContact O-N 3.02Å; P48-L51 PolarHBondContact O-N 2.65Å; P48-L51 VanDerWaalsContact O-N 3.1Å |
| 49 | L | 93.7 | Very high | 91.4 | Very high | 17 Ų | 17 | 55.4 Ų | 55.4 | 9% | 0.089 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -75.7 | -14.9 | -177.5 | -58.7 | 174.6 | 0 | 0 | 0 | 112.8 | R17 F20 V21 L45 L46 R47 L51 D52 I57 Q58 A61 | R17-L49 HydrophobicContact CB-CD2 4.31Å; R17-L49 HydrophobicContact CG-CD2 4.15Å; F20-L49 HydrophobicContact CD1-CD1 3.6Å; F20-L49 HydrophobicContact CE1-CD1 3.86Å; V21-L49 HydrophobicContact CG1-CB 4.18Å; V21-L49 HydrophobicContact CG1-CD1 3.47Å; V21-L49 VanDerWaalsContact CG1-CD1 3.47Å; V21-L49 HydrophobicContact CG1-CG 4.38Å; L45-L49 WeakPolarHBondContact O-CD1 3.35Å; L45-L49 WeakPolarHBondContact O-CG 3.34Å; L46-L49 WeakPolarHBondContact O-CA 3.45Å; L46-L49 WeakPolarHBondContact O-CB 3.14Å; L46-L49 PolarHBondContact O-N 3.44Å; R47-L49 PolarHBondContact O-N 3.31Å; L49-L51 PolarHBondContact O-N 3Å; L49-D52 WeakPolarHBondContact O-CB 3.5Å; L49-D52 PolarHBondContact O-N 3.48Å; L49-I57 HydrophobicContact CB-CG2 4.23Å; L49-I57 HydrophobicContact CD2-CG2 4.25Å; L49-Q58 WeakPolarHBondContact O-CA 3.14Å; L49-A61 HydrophobicContact CB-CB 3.89Å |
| 50 | L | 89.6 | Confident | 91.6 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -23.6 | 166.7 | -68.2 | 177.5 | 0 | 0 | 0 | 113 | L46 R47 P48 Q58 A61 A62 L65 I84 L88 | L46-L50 PolarHBondContact O-N 3.22Å; R47-L50 WeakPolarHBondContact O-CB 3.41Å; R47-L50 PolarHBondContact O-N 3.27Å; P48-L50 VanDerWaalsContact C-N 3.27Å; P48-L50 PolarHBondContact O-N 3.02Å; L50-Q58 WeakPolarHBondContact O-CG 3.35Å; L50-A61 HydrophobicContact CD2-CB 4.08Å; L50-A62 HydrophobicContact CD2-CB 3.87Å; L50-L65 HydrophobicContact CD1-CD1 3.54Å; L50-L65 HydrophobicContact CD2-CD1 3.87Å; L50-L65 HydrophobicContact CG-CD1 3.92Å; L50-I84 HydrophobicContact CD1-CG2 3.55Å; L50-L88 HydrophobicContact CD2-CD2 4.5Å |
| 51 | L | 88.1 | Confident | 91.6 | Very high | 110 Ų | 110 | 44.7 Ų | 44.7 | 58% | 0.576 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | 13.2 | 178.3 | -71.4 | 175.6 | 0 | 0 | 0 | 112.3 | P48 L49 Q87 | P48-L51 PolarHBondContact O-N 2.65Å; P48-L51 VanDerWaalsContact O-N 3.1Å; L49-L51 PolarHBondContact O-N 3Å; L51-Q87 HydrophobicContact CD2-CG 4.03Å; L51-Q87 VanDerWaalsContact CD2-OE1 3.28Å; L51-Q87 HydrophobicContact CG-CG 4.37Å |
| 52 | D | 91.6 | Very high | 91.8 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 4% | 0.037 | 24% | 0.244 | C | C | . | . | trans | -59.6 | 149.8 | -178.7 | -158.8 | -74.3 | 0 | 0 | 0 | 111.6 | R17 L49 V54 I57 Q58 | R17-D52 VanDerWaalsContact CD-OD2 3.26Å; R17-D52 WeakPolarHBondContact CD-OD2 3.27Å; R17-D52 IonicContact CZ-OD1 3.67Å; R17-D52 IonicContact CZ-OD2 3.38Å; R17-D52 IonicContact NE-OD2 2.88Å; R17-D52 PolarHBondContact NE-OD2 3.12Å; R17-D52 VanDerWaalsContact NE-OD2 3.12Å; R17-D52 IonicContact NH1-OD1 2.63Å; R17-D52 IonicContact NH1-OD2 3.64Å; R17-D52 PolarHBondContact NH1-OD2 2.91Å; R17-D52 IonicContact NH2-OD1 3.23Å; R17-D52 PolarHBondContact NH2-OD1 2.93Å; R17-D52 VanDerWaalsContact NH2-OD1 3.09Å; R17-D52 IonicContact NH2-OD2 3.09Å; R17-D52 PolarHBondContact NH2-OD2 2.86Å; L49-D52 WeakPolarHBondContact O-CB 3.5Å; L49-D52 PolarHBondContact O-N 3.48Å; D52-V54 PolarHBondContact O-N 3.04Å; D52-V54 PolarHBondContact OD1-N 3.4Å; D52-I57 HydrophobicContact CB-CB 4.05Å; D52-I57 HydrophobicContact CB-CG2 3.79Å; D52-Q58 HydrophobicContact CB-CG 4.05Å; D52-Q58 WeakPolarHBondContact O-CG 3.41Å; D52-Q58 PolarHBondContact O-NE2 3.38Å | ||
| 53 | T | 87.6 | Confident | 91.8 | Very high | 122 Ų | 122 | 45 Ų | 45 | 75% | 0.748 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -69.3 | -17.8 | 176.6 | 52.3 | 0 | 0 | 0 | 0 | 113 | ||
| 54 | V | 90.6 | Very high | 92.1 | Very high | 22 Ų | 22 | 44.1 Ų | 44.1 | 13% | 0.133 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -97.8 | 115.3 | -178.9 | -175.1 | 0 | 0 | 0 | 0 | 110.4 | Q14 D52 T56 I57 Q58 | Q14-V54 HydrophobicContact CG-CG2 3.95Å; D52-V54 PolarHBondContact O-N 3.04Å; D52-V54 PolarHBondContact OD1-N 3.4Å; V54-T56 VanDerWaalsContact C-N 3.28Å; V54-T56 WeakPolarHBondContact CG1-OG1 3.46Å; V54-T56 PolarHBondContact O-N 2.9Å; V54-T56 VanDerWaalsContact O-N 3.16Å; V54-I57 HydrophobicContact CB-CB 4.2Å; V54-I57 HydrophobicContact CB-CD1 3.78Å; V54-I57 HydrophobicContact CB-CG1 3.84Å; V54-I57 HydrophobicContact CG1-CD1 4.23Å; V54-I57 HydrophobicContact CG1-CG1 3.97Å; V54-I57 HydrophobicContact CG2-CD1 4.06Å; V54-I57 WeakPolarHBondContact O-CB 3.48Å; V54-I57 PolarHBondContact O-N 3.44Å; V54-Q58 PolarHBondContact O-N 3.42Å; V54-Q58 VanDerWaalsContact O-N 3.14Å |
| 55 | P | 88.7 | Confident | 92.3 | Very high | 64 Ų | 64 | 40.1 Ų | 40.1 | 42% | 0.416 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -57.7 | -34.6 | -175.9 | -28.3 | 35.6 | 0 | 0 | 0 | 114.7 | I57 Q58 Q59 | P55-I57 VanDerWaalsContact C-N 3.31Å; P55-I57 PolarHBondContact O-N 2.89Å; P55-Q58 PolarHBondContact O-N 2.98Å; P55-Q59 WeakPolarHBondContact O-CB 3.47Å; P55-Q59 PolarHBondContact O-N 3.37Å |
| 56 | T | 91 | Very high | 92.4 | Very high | 79 Ų | 79 | 36 Ų | 36 | 49% | 0.485 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -68.4 | -32 | 177.8 | 55.5 | 0 | 0 | 0 | 0 | 112.2 | V54 T60 | V54-T56 VanDerWaalsContact C-N 3.28Å; V54-T56 WeakPolarHBondContact CG1-OG1 3.46Å; V54-T56 PolarHBondContact O-N 2.9Å; V54-T56 VanDerWaalsContact O-N 3.16Å; T56-T60 WeakPolarHBondContact O-CB 3.49Å; T56-T60 PolarHBondContact O-N 2.95Å; T56-T60 PolarHBondContact O-OG1 2.89Å |
| 57 | I | 94 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.7 | -47.3 | 174.4 | -61.1 | -178.6 | 0 | 0 | 0 | 109.5 | Q14 R17 T18 V21 L49 D52 V54 P55 Q59 T60 A61 | Q14-I57 HydrophobicContact CG-CD1 4.39Å; R17-I57 HydrophobicContact CB-CD1 3.82Å; T18-I57 WeakPolarHBondContact OG1-CD1 3.39Å; V21-I57 HydrophobicContact CG1-CG2 3.93Å; V21-I57 HydrophobicContact CG2-CG2 4.13Å; L49-I57 HydrophobicContact CB-CG2 4.23Å; L49-I57 HydrophobicContact CD2-CG2 4.25Å; D52-I57 HydrophobicContact CB-CB 4.05Å; D52-I57 HydrophobicContact CB-CG2 3.79Å; V54-I57 HydrophobicContact CB-CB 4.2Å; V54-I57 HydrophobicContact CB-CD1 3.78Å; V54-I57 HydrophobicContact CB-CG1 3.84Å; V54-I57 HydrophobicContact CG1-CD1 4.23Å; V54-I57 HydrophobicContact CG1-CG1 3.97Å; V54-I57 HydrophobicContact CG2-CD1 4.06Å; V54-I57 WeakPolarHBondContact O-CB 3.48Å; V54-I57 PolarHBondContact O-N 3.44Å; P55-I57 VanDerWaalsContact C-N 3.31Å; P55-I57 PolarHBondContact O-N 2.89Å; I57-Q59 PolarHBondContact O-N 2.99Å; I57-T60 PolarHBondContact O-N 3.33Å; I57-A61 WeakPolarHBondContact O-CB 3.46Å; I57-A61 PolarHBondContact O-N 3.23Å |
| 58 | Q | 91.7 | Very high | 92.8 | Very high | 21 Ų | 21 | 34.1 Ų | 34.1 | 10% | 0.098 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.1 | -50 | 175.9 | -63.1 | -174.6 | -21.5 | 0 | 0 | 111.8 | L49 L50 D52 V54 P55 T60 A61 A62 Y99 | L49-Q58 WeakPolarHBondContact O-CA 3.14Å; L50-Q58 WeakPolarHBondContact O-CG 3.35Å; D52-Q58 HydrophobicContact CB-CG 4.05Å; D52-Q58 WeakPolarHBondContact O-CG 3.41Å; D52-Q58 PolarHBondContact O-NE2 3.38Å; V54-Q58 PolarHBondContact O-N 3.42Å; V54-Q58 VanDerWaalsContact O-N 3.14Å; P55-Q58 PolarHBondContact O-N 2.98Å; Q58-T60 PolarHBondContact O-N 3.24Å; Q58-A61 PolarHBondContact O-N 2.88Å; Q58-A62 PolarHBondContact O-N 3.26Å; Q58-Y99 HydrophobicContact CB-CD2 3.92Å; Q58-Y99 HydrophobicContact CB-CE2 3.69Å |
| 59 | Q | 92.3 | Very high | 93 | Very high | 48 Ų | 48 | 30.2 Ų | 30.2 | 22% | 0.224 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60 | -46.6 | 178.7 | -178.3 | -166.1 | -10.1 | 0 | 0 | 111.5 | P55 I57 A62 I63 F98 Y99 A102 | P55-Q59 WeakPolarHBondContact O-CB 3.47Å; P55-Q59 PolarHBondContact O-N 3.37Å; I57-Q59 PolarHBondContact O-N 2.99Å; Q59-A62 PolarHBondContact O-N 2.83Å; Q59-I63 HydrophobicContact CG-CD1 4.1Å; Q59-I63 WeakPolarHBondContact O-CG1 3.42Å; Q59-I63 PolarHBondContact O-N 2.92Å; Q59-F98 HydrophobicContact CG-CB 4.5Å; Q59-Y99 HydrophobicContact CB-CD2 4.48Å; Q59-A102 HydrophobicContact CG-CB 4.03Å |
| 60 | T | 95.1 | Very high | 93.1 | Very high | 26 Ų | 26 | 31.8 Ų | 31.8 | 16% | 0.16 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.1 | -36.4 | -177.5 | -51.9 | 0 | 0 | 0 | 0 | 111.3 | V21 Q22 A25 T56 I57 Q58 I63 A64 | V21-T60 HydrophobicContact CB-CG2 3.85Å; V21-T60 HydrophobicContact CG2-CG2 3.73Å; V21-T60 WeakPolarHBondContact O-CG2 3.44Å; Q22-T60 HydrophobicContact CG-CG2 4.27Å; A25-T60 HydrophobicContact CB-CG2 3.94Å; T56-T60 WeakPolarHBondContact O-CB 3.49Å; T56-T60 PolarHBondContact O-N 2.95Å; T56-T60 PolarHBondContact O-OG1 2.89Å; I57-T60 PolarHBondContact O-N 3.33Å; Q58-T60 PolarHBondContact O-N 3.24Å; T60-I63 PolarHBondContact O-N 3.37Å; T60-A64 WeakPolarHBondContact O-CB 3.47Å; T60-A64 PolarHBondContact O-N 3Å |
| 61 | A | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.8 | -44.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V21 L46 L49 L50 I57 Q58 A64 L65 | V21-A61 HydrophobicContact CG1-CB 4.07Å; L46-A61 HydrophobicContact CD2-CB 4.26Å; L49-A61 HydrophobicContact CB-CB 3.89Å; L50-A61 HydrophobicContact CD2-CB 4.08Å; I57-A61 WeakPolarHBondContact O-CB 3.46Å; I57-A61 PolarHBondContact O-N 3.23Å; Q58-A61 PolarHBondContact O-N 2.88Å; A61-A64 WeakPolarHBondContact O-CB 3.48Å; A61-A64 PolarHBondContact O-N 3.5Å; A61-L65 WeakPolarHBondContact O-CG 3.32Å; A61-L65 PolarHBondContact O-N 3.42Å |
| 62 | A | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.7 | -43.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L50 Q58 Q59 A64 L65 G66 Y99 A102 V106 | L50-A62 HydrophobicContact CD2-CB 3.87Å; Q58-A62 PolarHBondContact O-N 3.26Å; Q59-A62 PolarHBondContact O-N 2.83Å; A62-A64 VanDerWaalsContact C-N 3.32Å; A62-A64 PolarHBondContact O-N 3.47Å; A62-L65 PolarHBondContact O-N 3.32Å; A62-G66 PolarHBondContact O-N 2.86Å; A62-Y99 HydrophobicContact CB-CE2 4.31Å; A62-A102 HydrophobicContact CB-CB 3.85Å; A62-V106 HydrophobicContact CB-CG2 4.2Å; A62-V106 WeakPolarHBondContact O-CG2 3.38Å |
| 63 | I | 95.1 | Very high | 93.6 | Very high | 40 Ų | 40 | 37.7 Ų | 37.7 | 21% | 0.205 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.4 | -43.9 | 175 | -68.7 | 166.6 | 0 | 0 | 0 | 111.2 | Q59 T60 G66 R67 A102 | Q59-I63 HydrophobicContact CG-CD1 4.1Å; Q59-I63 WeakPolarHBondContact O-CG1 3.42Å; Q59-I63 PolarHBondContact O-N 2.92Å; T60-I63 PolarHBondContact O-N 3.37Å; I63-G66 PolarHBondContact O-N 3.08Å; I63-R67 WeakPolarHBondContact O-CG 3.23Å; I63-R67 PolarHBondContact O-N 3.46Å; I63-A102 HydrophobicContact CG1-CB 3.93Å |
| 64 | A | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.8 | -47.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V24 A25 L46 T60 A61 A62 G66 R67 L68 | V24-A64 HydrophobicContact CG1-CB 3.98Å; A25-A64 HydrophobicContact CB-CB 4.04Å; L46-A64 HydrophobicContact CD1-CB 3.75Å; L46-A64 HydrophobicContact CD2-CB 4.14Å; T60-A64 WeakPolarHBondContact O-CB 3.47Å; T60-A64 PolarHBondContact O-N 3Å; A61-A64 WeakPolarHBondContact O-CB 3.48Å; A61-A64 PolarHBondContact O-N 3.5Å; A62-A64 VanDerWaalsContact C-N 3.32Å; A62-A64 PolarHBondContact O-N 3.47Å; A64-G66 PolarHBondContact O-N 3.25Å; A64-R67 PolarHBondContact O-N 2.86Å; A64-L68 VanDerWaalsContact O-CG 3.3Å; A64-L68 WeakPolarHBondContact O-CG 3.33Å; A64-L68 PolarHBondContact O-N 3.31Å |
| 65 | L | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.2 | -43.5 | 175.4 | -71.1 | 178.2 | 0 | 0 | 0 | 112.4 | L43 L46 L50 A61 A62 R67 L68 A69 I79 I84 V106 | L43-L65 HydrophobicContact CD2-CD2 3.36Å; L46-L65 HydrophobicContact CB-CD2 3.95Å; L46-L65 HydrophobicContact CB-CG 4.24Å; L46-L65 HydrophobicContact CD1-CD2 3.71Å; L46-L65 HydrophobicContact CD1-CG 4.02Å; L50-L65 HydrophobicContact CD1-CD1 3.54Å; L50-L65 HydrophobicContact CD2-CD1 3.87Å; L50-L65 HydrophobicContact CG-CD1 3.92Å; A61-L65 WeakPolarHBondContact O-CG 3.32Å; A61-L65 PolarHBondContact O-N 3.42Å; A62-L65 PolarHBondContact O-N 3.32Å; L65-R67 VanDerWaalsContact C-N 3.33Å; L65-R67 PolarHBondContact O-N 3.5Å; L65-L68 PolarHBondContact O-N 3.1Å; L65-A69 WeakPolarHBondContact O-CB 3.32Å; L65-A69 PolarHBondContact O-N 3.16Å; L65-I79 HydrophobicContact CB-CD1 4.48Å; L65-I79 HydrophobicContact CD2-CD1 4.29Å; L65-I79 HydrophobicContact CD2-CG1 4.39Å; L65-I84 HydrophobicContact CD1-CD1 4.35Å; L65-I84 HydrophobicContact CD1-CG2 4.2Å; L65-V106 HydrophobicContact CB-CG1 4.49Å; L65-V106 HydrophobicContact CB-CG2 4.37Å |
| 66 | G | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.6 | -41.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A62 I63 A64 N70 F105 S109 | A62-G66 PolarHBondContact O-N 2.86Å; I63-G66 PolarHBondContact O-N 3.08Å; A64-G66 PolarHBondContact O-N 3.25Å; G66-N70 WeakPolarHBondContact O-CB 3.39Å; G66-N70 PolarHBondContact O-N 3.09Å; G66-F105 VanDerWaalsContact C-CE1 3.41Å; G66-S109 WeakPolarHBondContact O-CB 3.44Å; G66-S109 PolarHBondContact O-OG 3.46Å |
| 67 | R | 96 | Very high | 94.5 | Very high | 76 Ų | 76 | 29.5 Ų | 29.5 | 29% | 0.287 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -64 | -45.4 | 175.5 | -73.4 | 175.3 | -180 | 168.2 | 2.1 | 112 | A25 A28 I63 A64 L65 N70 H71 F105 | A25-R67 VanDerWaalsContact O-CD 3.26Å; A25-R67 WeakPolarHBondContact O-CD 3.44Å; A25-R67 PolarHBondContact O-NH1 3.18Å; A28-R67 HydrophobicContact CB-CB 3.73Å; I63-R67 WeakPolarHBondContact O-CG 3.23Å; I63-R67 PolarHBondContact O-N 3.46Å; A64-R67 PolarHBondContact O-N 2.86Å; L65-R67 VanDerWaalsContact C-N 3.33Å; L65-R67 PolarHBondContact O-N 3.5Å; R67-N70 PolarHBondContact O-N 3.1Å; R67-H71 PolarHBondContact O-CD2 3.41Å; R67-H71 PolarHBondContact O-N 3.35Å; R67-F105 HydrophobicContact CG-CE1 4.1Å; R67-F105 HydrophobicContact CG-CZ 4.25Å |
| 68 | L | 95.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.8 | -52 | 175.6 | -72 | 168.2 | 0 | 0 | 0 | 111.4 | A28 I34 L37 V42 L43 L46 A64 L65 N70 H71 L75 | A28-L68 HydrophobicContact CB-CD2 4.22Å; A28-L68 HydrophobicContact CB-CG 4.21Å; I34-L68 HydrophobicContact CD1-CD2 3.91Å; I34-L68 HydrophobicContact CG2-CD2 4.26Å; L37-L68 HydrophobicContact CB-CD2 4.23Å; L37-L68 HydrophobicContact CD1-CD2 4.07Å; V42-L68 HydrophobicContact CG1-CD1 3.58Å; V42-L68 HydrophobicContact CG1-CD2 4.21Å; V42-L68 HydrophobicContact CG2-CD1 4.46Å; L43-L68 HydrophobicContact CD2-CD1 3.8Å; L46-L68 HydrophobicContact CD1-CD1 3.78Å; A64-L68 VanDerWaalsContact O-CG 3.3Å; A64-L68 WeakPolarHBondContact O-CG 3.33Å; A64-L68 PolarHBondContact O-N 3.31Å; L65-L68 PolarHBondContact O-N 3.1Å; L68-N70 VanDerWaalsContact C-N 3.3Å; L68-N70 PolarHBondContact O-N 3.19Å; L68-H71 PolarHBondContact O-N 3.27Å; L68-L75 HydrophobicContact CB-CD1 4.07Å; L68-L75 HydrophobicContact CD2-CD1 4.14Å |
| 69 | A | 95.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.1 | -40 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L65 H71 R72 A76 I79 I110 H113 | L65-A69 WeakPolarHBondContact O-CB 3.32Å; L65-A69 PolarHBondContact O-N 3.16Å; A69-H71 PolarHBondContact O-N 3.11Å; A69-R72 PolarHBondContact O-N 2.91Å; A69-A76 HydrophobicContact CB-CB 4.33Å; A69-I79 HydrophobicContact CB-CD1 3.79Å; A69-I110 HydrophobicContact CB-CG1 3.98Å; A69-H113 PolarHBondContact O-NE2 3.03Å |
| 70 | N | 95.7 | Very high | 94.5 | Very high | 51 Ų | 51 | 30.8 Ų | 30.8 | 27% | 0.273 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -63.1 | -30.3 | -176 | -175.9 | 71.1 | 0 | 0 | 0 | 112.6 | G66 R67 L68 K112 | G66-N70 WeakPolarHBondContact O-CB 3.39Å; G66-N70 PolarHBondContact O-N 3.09Å; R67-N70 PolarHBondContact O-N 3.1Å; L68-N70 VanDerWaalsContact C-N 3.3Å; L68-N70 PolarHBondContact O-N 3.19Å; N70-K112 VanDerWaalsContact CG-NZ 3.3Å; N70-K112 WeakPolarHBondContact O-CE 3.47Å; N70-K112 PolarHBondContact O-NZ 3.08Å; N70-K112 WeakPolarHBondContact OD1-CE 3.33Å; N70-K112 PolarHBondContact OD1-NZ 2.89Å |
| 71 | H | 93.7 | Very high | 94.3 | Very high | 64 Ų | 64 | 37 Ų | 37 | 30% | 0.296 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -84.9 | -29.3 | -178.1 | -71.4 | -60.7 | 0 | 0 | 0 | 113.9 | A28 V29 I34 R67 L68 A69 | A28-H71 PolarHBondContact O-CD2 3.5Å; A28-H71 PolarHBondContact O-NE2 3.39Å; A28-H71 VanDerWaalsContact O-NE2 3.16Å; V29-H71 PolarHBondContact O-NE2 3.04Å; I34-H71 HydrophobicContact CD1-CB 4.45Å; I34-H71 VanDerWaalsContact CD1-CD2 3.48Å; I34-H71 WeakPolarHBondContact CD1-CD2 3.44Å; I34-H71 HydrophobicContact CG1-CB 3.98Å; I34-H71 HydrophobicContact CG2-CB 4.45Å; R67-H71 PolarHBondContact O-CD2 3.41Å; R67-H71 PolarHBondContact O-N 3.35Å; L68-H71 PolarHBondContact O-N 3.27Å; A69-H71 PolarHBondContact O-N 3.11Å |
| 72 | R | 91.6 | Very high | 93.9 | Very high | 93 Ų | 93 | 37.9 Ų | 37.9 | 35% | 0.351 | 18% | 0.182 | S | C | . | . | trans | -143.8 | 125.9 | -163.5 | -82.1 | -78.4 | -73.4 | -102.1 | -9.9 | 111.9 | I34 A69 D74 L75 A76 | I34-R72 HydrophobicContact CG2-CB 4.47Å; I34-R72 HydrophobicContact CG2-CG 4Å; A69-R72 PolarHBondContact O-N 2.91Å; R72-D74 VanDerWaalsContact CB-OD1 3.31Å; R72-D74 WeakPolarHBondContact CB-OD1 3.3Å; R72-D74 IonicContact CZ-OD1 2.64Å; R72-D74 IonicContact CZ-OD2 2.61Å; R72-D74 IonicContact NE-OD1 3Å; R72-D74 PolarHBondContact NE-OD1 3.17Å; R72-D74 IonicContact NE-OD2 3.93Å; R72-D74 PolarHBondContact NE-OD2 3.14Å; R72-D74 IonicContact NH2-OD1 3.34Å; R72-D74 IonicContact NH2-OD2 2.84Å; R72-D74 PolarHBondContact NH2-OD2 3.14Å; R72-L75 HydrophobicContact CB-CB 4.22Å; R72-L75 HydrophobicContact CB-CD1 4.02Å; R72-L75 HydrophobicContact CB-CG 4.08Å; R72-L75 PolarHBondContact O-N 3.4Å; R72-A76 PolarHBondContact O-N 2.81Å | ||
| 73 | K | 94.1 | Very high | 93.5 | Very high | 85 Ų | 85 | 43.1 Ų | 43.1 | 37% | 0.37 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.8 | -40.4 | 179.5 | 179.9 | 178 | 179.2 | -173.8 | 0 | 112.2 | L75 A76 E77 H113 L117 | K73-L75 VanDerWaalsContact C-N 3.29Å; K73-L75 PolarHBondContact O-N 3.3Å; K73-A76 WeakPolarHBondContact O-CB 3.29Å; K73-A76 PolarHBondContact O-N 3.43Å; K73-A76 VanDerWaalsContact O-N 3.1Å; K73-E77 VanDerWaalsContact CE-OE1 3.27Å; K73-E77 WeakPolarHBondContact CE-OE1 3.31Å; K73-E77 WeakPolarHBondContact O-CG 3.5Å; K73-E77 PolarHBondContact O-N 3.24Å; K73-H113 HydrophobicContact CB-CB 4.23Å; K73-H113 HydrophobicContact CD-CB 4.37Å; K73-H113 HydrophobicContact CG-CB 3.96Å; K73-L117 HydrophobicContact CG-CD1 4.16Å |
| 74 | D | 93.1 | Very high | 93.2 | Very high | 48 Ų | 48 | 41.5 Ų | 41.5 | 26% | 0.257 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.3 | -37.3 | 177.3 | 56.6 | -52 | 0 | 0 | 0 | 112.2 | Q38 R72 E77 V78 | Q38-D74 PolarHBondContact NE2-OD2 2.91Å; Q38-D74 PolarHBondContact OE1-OD2 3.06Å; R72-D74 VanDerWaalsContact CB-OD1 3.31Å; R72-D74 WeakPolarHBondContact CB-OD1 3.3Å; R72-D74 IonicContact CZ-OD1 2.64Å; R72-D74 IonicContact CZ-OD2 2.61Å; R72-D74 IonicContact NE-OD1 3Å; R72-D74 PolarHBondContact NE-OD1 3.17Å; R72-D74 IonicContact NE-OD2 3.93Å; R72-D74 PolarHBondContact NE-OD2 3.14Å; R72-D74 IonicContact NH2-OD1 3.34Å; R72-D74 IonicContact NH2-OD2 2.84Å; R72-D74 PolarHBondContact NH2-OD2 3.14Å; D74-E77 PolarHBondContact O-N 3.46Å; D74-V78 VanDerWaalsContact O-CG2 3.26Å; D74-V78 WeakPolarHBondContact O-CG2 3.42Å; D74-V78 PolarHBondContact O-N 3.43Å |
| 75 | L | 93.3 | Very high | 93 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.7 | -38.5 | 174 | -71 | 179 | 0 | 0 | 0 | 112.3 | I34 Q38 L43 L68 R72 K73 E77 V78 I79 | I34-L75 HydrophobicContact CG2-CD1 3.27Å; Q38-L75 HydrophobicContact CB-CD2 4Å; Q38-L75 HydrophobicContact CG-CD2 3.67Å; L43-L75 HydrophobicContact CD1-CD2 3.82Å; L43-L75 HydrophobicContact CG-CD2 4.44Å; L68-L75 HydrophobicContact CB-CD1 4.07Å; L68-L75 HydrophobicContact CD2-CD1 4.14Å; R72-L75 HydrophobicContact CB-CB 4.22Å; R72-L75 HydrophobicContact CB-CD1 4.02Å; R72-L75 HydrophobicContact CB-CG 4.08Å; R72-L75 PolarHBondContact O-N 3.4Å; K73-L75 VanDerWaalsContact C-N 3.29Å; K73-L75 PolarHBondContact O-N 3.3Å; L75-E77 VanDerWaalsContact C-N 3.33Å; L75-V78 PolarHBondContact O-N 2.94Å; L75-I79 WeakPolarHBondContact O-CD1 3.49Å; L75-I79 VanDerWaalsContact O-CG1 3.25Å; L75-I79 WeakPolarHBondContact O-CG1 3.5Å; L75-I79 PolarHBondContact O-N 3.5Å |
| 76 | A | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.5 | -44.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A69 R72 K73 V78 I79 V80 I110 L117 | A69-A76 HydrophobicContact CB-CB 4.33Å; R72-A76 PolarHBondContact O-N 2.81Å; K73-A76 WeakPolarHBondContact O-CB 3.29Å; K73-A76 PolarHBondContact O-N 3.43Å; K73-A76 VanDerWaalsContact O-N 3.1Å; A76-V78 PolarHBondContact O-N 2.78Å; A76-I79 PolarHBondContact O-N 3.28Å; A76-V80 WeakPolarHBondContact O-CG2 3.43Å; A76-V80 PolarHBondContact O-N 3.13Å; A76-I110 HydrophobicContact CB-CB 4.38Å; A76-I110 HydrophobicContact CB-CG1 4.2Å; A76-I110 HydrophobicContact CB-CG2 4.26Å; A76-L117 HydrophobicContact CB-CD1 3.91Å |
| 77 | E | 95.5 | Very high | 92.4 | Very high | 68 Ų | 68 | 47.3 Ų | 47.3 | 32% | 0.318 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.3 | -41.6 | 174.8 | -70.2 | 175.6 | -166 | 0 | 0 | 112.8 | K73 D74 L75 I79 V80 K81 L117 | K73-E77 VanDerWaalsContact CE-OE1 3.27Å; K73-E77 WeakPolarHBondContact CE-OE1 3.31Å; K73-E77 WeakPolarHBondContact O-CG 3.5Å; K73-E77 PolarHBondContact O-N 3.24Å; D74-E77 PolarHBondContact O-N 3.46Å; L75-E77 VanDerWaalsContact C-N 3.33Å; E77-I79 VanDerWaalsContact C-N 3.34Å; E77-V80 PolarHBondContact O-N 3.34Å; E77-K81 WeakPolarHBondContact O-CB 3.23Å; E77-K81 VanDerWaalsContact O-CG 3.3Å; E77-K81 WeakPolarHBondContact O-CG 3.46Å; E77-K81 PolarHBondContact O-N 3.23Å; E77-L117 HydrophobicContact CG-CD1 4.35Å; E77-L117 HydrophobicContact CG-CD2 4Å |
| 78 | V | 91.8 | Very high | 92 | Very high | 69 Ų | 69 | 43.7 Ų | 43.7 | 42% | 0.418 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.5 | -37.2 | 176.8 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | L43 D74 L75 A76 V80 K81 G82 | L43-V78 HydrophobicContact CD1-CB 3.82Å; L43-V78 HydrophobicContact CD1-CG1 3.44Å; L43-V78 VanDerWaalsContact CD1-CG1 3.44Å; D74-V78 VanDerWaalsContact O-CG2 3.26Å; D74-V78 WeakPolarHBondContact O-CG2 3.42Å; D74-V78 PolarHBondContact O-N 3.43Å; L75-V78 PolarHBondContact O-N 2.94Å; A76-V78 PolarHBondContact O-N 2.78Å; V78-V80 VanDerWaalsContact C-N 3.35Å; V78-K81 PolarHBondContact O-N 2.99Å; V78-G82 PolarHBondContact O-N 2.9Å |
| 79 | I | 91.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.4 | -42.8 | 175.7 | -71.5 | 163.4 | 0 | 0 | 0 | 110.8 | L43 L65 A69 L75 A76 E77 G82 I84 I110 | L43-I79 HydrophobicContact CD1-CG1 4.12Å; L43-I79 HydrophobicContact CD2-CD1 4.12Å; L43-I79 HydrophobicContact CD2-CG1 3.89Å; L65-I79 HydrophobicContact CB-CD1 4.48Å; L65-I79 HydrophobicContact CD2-CD1 4.29Å; L65-I79 HydrophobicContact CD2-CG1 4.39Å; A69-I79 HydrophobicContact CB-CD1 3.79Å; L75-I79 WeakPolarHBondContact O-CD1 3.49Å; L75-I79 VanDerWaalsContact O-CG1 3.25Å; L75-I79 WeakPolarHBondContact O-CG1 3.5Å; L75-I79 PolarHBondContact O-N 3.5Å; A76-I79 PolarHBondContact O-N 3.28Å; E77-I79 VanDerWaalsContact C-N 3.34Å; I79-G82 PolarHBondContact O-N 2.96Å; I79-I84 HydrophobicContact CB-CD1 4.45Å; I79-I84 HydrophobicContact CG1-CD1 4.39Å; I79-I84 HydrophobicContact CG2-CB 3.9Å; I79-I84 HydrophobicContact CG2-CD1 4.06Å; I79-I84 HydrophobicContact CG2-CG2 4.01Å; I79-I84 PolarHBondContact O-N 2.99Å; I79-I110 HydrophobicContact CB-CD1 4.4Å; I79-I110 HydrophobicContact CG2-CD1 3.66Å |
| 80 | V | 93.4 | Very high | 91.4 | Very high | 27 Ų | 27 | 51.7 Ų | 51.7 | 16% | 0.164 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.2 | -49.9 | 176.2 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | A76 E77 V78 G82 D83 L85 I110 L117 | A76-V80 WeakPolarHBondContact O-CG2 3.43Å; A76-V80 PolarHBondContact O-N 3.13Å; E77-V80 PolarHBondContact O-N 3.34Å; V78-V80 VanDerWaalsContact C-N 3.35Å; V80-G82 PolarHBondContact O-N 3.04Å; V80-D83 PolarHBondContact O-N 3.23Å; V80-L85 HydrophobicContact CB-CD1 4.38Å; V80-L85 HydrophobicContact CG1-CD1 4.04Å; V80-L85 HydrophobicContact CG2-CD1 3.85Å; V80-L85 HydrophobicContact CG2-CD2 4.48Å; V80-L85 HydrophobicContact CG2-CG 4.2Å; V80-I110 HydrophobicContact CG2-CG2 3.77Å; V80-L117 HydrophobicContact CB-CD2 4.3Å; V80-L117 HydrophobicContact CG2-CD2 3.73Å |
| 81 | K | 91.3 | Very high | 90.7 | Very high | 156 Ų | 156 | 49.3 Ų | 49.3 | 68% | 0.678 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -62.8 | -21.7 | 176.8 | -72.1 | 171.9 | -179 | 168.3 | 0 | 113.5 | E77 V78 D83 | E77-K81 WeakPolarHBondContact O-CB 3.23Å; E77-K81 VanDerWaalsContact O-CG 3.3Å; E77-K81 WeakPolarHBondContact O-CG 3.46Å; E77-K81 PolarHBondContact O-N 3.23Å; V78-K81 PolarHBondContact O-N 2.99Å; K81-D83 VanDerWaalsContact C-N 3.27Å; K81-D83 PolarHBondContact O-N 2.69Å |
| 82 | G | 87.6 | Confident | 90.3 | Very high | 19 Ų | 19 | 46.3 Ų | 46.3 | 20% | 0.196 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 11.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R47 V78 I79 V80 I84 | R47-G82 PolarHBondContact NE-O 3.4Å; R47-G82 VanDerWaalsContact NE-O 3.14Å; R47-G82 PolarHBondContact NH1-O 3.45Å; R47-G82 VanDerWaalsContact NH1-O 3.14Å; R47-G82 PolarHBondContact NH2-O 3.2Å; V78-G82 PolarHBondContact O-N 2.9Å; I79-G82 PolarHBondContact O-N 2.96Å; V80-G82 PolarHBondContact O-N 3.04Å; G82-I84 PolarHBondContact O-N 3.07Å; G82-I84 VanDerWaalsContact O-N 3.17Å |
| 83 | D | 86.9 | Confident | 89.7 | Confident | 110 Ų | 110 | 44 Ų | 44 | 59% | 0.588 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 38.8 | -178.2 | -55.6 | -46 | 0 | 0 | 0 | 113.5 | V80 K81 | V80-D83 PolarHBondContact O-N 3.23Å; K81-D83 VanDerWaalsContact C-N 3.27Å; K81-D83 PolarHBondContact O-N 2.69Å |
| 84 | I | 89 | Confident | 88.9 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | trans | -84 | -28.8 | 177.1 | -66.2 | 176.8 | 0 | 0 | 0 | 110.9 | R47 L50 L65 I79 G82 Q87 L88 | R47-I84 HydrophobicContact CB-CD1 4.3Å; R47-I84 HydrophobicContact CG-CD1 4.41Å; R47-I84 HydrophobicContact CG-CG1 4.14Å; L50-I84 HydrophobicContact CD1-CG2 3.55Å; L65-I84 HydrophobicContact CD1-CD1 4.35Å; L65-I84 HydrophobicContact CD1-CG2 4.2Å; I79-I84 HydrophobicContact CB-CD1 4.45Å; I79-I84 HydrophobicContact CG1-CD1 4.39Å; I79-I84 HydrophobicContact CG2-CB 3.9Å; I79-I84 HydrophobicContact CG2-CD1 4.06Å; I79-I84 HydrophobicContact CG2-CG2 4.01Å; I79-I84 PolarHBondContact O-N 2.99Å; G82-I84 PolarHBondContact O-N 3.07Å; G82-I84 VanDerWaalsContact O-N 3.17Å; I84-Q87 PolarHBondContact O-N 3.3Å; I84-L88 HydrophobicContact CG2-CD1 3.74Å; I84-L88 HydrophobicContact CG2-CG 3.92Å; I84-L88 PolarHBondContact O-N 2.85Å; I84-L88 VanDerWaalsContact O-N 3.1Å | ||
| 85 | L | 92.1 | Very high | 88.4 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.7 | -48.9 | -176.4 | -67 | -176.4 | 0 | 0 | 0 | 113.7 | V80 Q87 L88 V89 L107 I110 I121 C124 | V80-L85 HydrophobicContact CB-CD1 4.38Å; V80-L85 HydrophobicContact CG1-CD1 4.04Å; V80-L85 HydrophobicContact CG2-CD1 3.85Å; V80-L85 HydrophobicContact CG2-CD2 4.48Å; V80-L85 HydrophobicContact CG2-CG 4.2Å; L85-Q87 PolarHBondContact O-N 3.22Å; L85-L88 HydrophobicContact CD2-CD1 4.49Å; L85-L88 PolarHBondContact O-N 3.41Å; L85-V89 WeakPolarHBondContact O-CG2 3.49Å; L85-V89 PolarHBondContact O-N 3.25Å; L85-L107 HydrophobicContact CD2-CD2 3.87Å; L85-I110 HydrophobicContact CD2-CD1 3.77Å; L85-I121 HydrophobicContact CD1-CG1 4.09Å; L85-I121 HydrophobicContact CD2-CG1 4.1Å; L85-C124 HydrophobicContact CB-CB 4.13Å; L85-C124 VanDerWaalsContact CB-SG 3.6Å |
| 86 | P | 90.5 | Very high | 88.2 | Confident | 71 Ų | 71 | 50.1 Ų | 50.1 | 46% | 0.461 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.4 | -37.6 | -179.3 | -25.9 | 36.1 | 0 | 0 | 0 | 112.5 | V89 Y90 | P86-V89 PolarHBondContact O-N 3Å; P86-Y90 WeakPolarHBondContact O-CB 3.35Å; P86-Y90 PolarHBondContact O-N 2.96Å |
| 87 | Q | 86.6 | Confident | 87.8 | Confident | 50 Ų | 50 | 56.1 Ų | 56.1 | 23% | 0.234 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.3 | -43.4 | 176.6 | -178 | 55.8 | 46.4 | 0 | 0 | 112.3 | L51 I84 L85 V89 S91 | L51-Q87 HydrophobicContact CD2-CG 4.03Å; L51-Q87 VanDerWaalsContact CD2-OE1 3.28Å; L51-Q87 HydrophobicContact CG-CG 4.37Å; I84-Q87 PolarHBondContact O-N 3.3Å; L85-Q87 PolarHBondContact O-N 3.22Å; Q87-V89 VanDerWaalsContact C-N 3.34Å; Q87-S91 PolarHBondContact NE2-OG 2.86Å; Q87-S91 WeakPolarHBondContact O-CB 3.08Å; Q87-S91 PolarHBondContact O-N 2.91Å; Q87-S91 PolarHBondContact O-OG 3.5Å |
| 88 | L | 89.1 | Confident | 87.5 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 177.3 | -70.2 | 171.8 | 0 | 0 | 0 | 111.1 | L50 I84 L85 S91 L92 A103 V106 | L50-L88 HydrophobicContact CD2-CD2 4.5Å; I84-L88 HydrophobicContact CG2-CD1 3.74Å; I84-L88 HydrophobicContact CG2-CG 3.92Å; I84-L88 PolarHBondContact O-N 2.85Å; I84-L88 VanDerWaalsContact O-N 3.1Å; L85-L88 HydrophobicContact CD2-CD1 4.49Å; L85-L88 PolarHBondContact O-N 3.41Å; L88-S91 PolarHBondContact O-N 3.4Å; L88-L92 VanDerWaalsContact O-CB 3.3Å; L88-L92 WeakPolarHBondContact O-CB 3.41Å; L88-L92 PolarHBondContact O-N 3.1Å; L88-A103 HydrophobicContact CD2-CB 4.37Å; L88-V106 HydrophobicContact CD1-CB 3.95Å; L88-V106 HydrophobicContact CD1-CG1 3.52Å; L88-V106 HydrophobicContact CD2-CG2 4.41Å |
| 89 | V | 90.7 | Very high | 87.3 | Confident | 16 Ų | 16 | 53.6 Ų | 53.6 | 10% | 0.097 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.6 | -49.5 | 179.2 | 175 | 0 | 0 | 0 | 0 | 111 | L85 P86 Q87 S91 L92 A93 C124 A126 A129 | L85-V89 WeakPolarHBondContact O-CG2 3.49Å; L85-V89 PolarHBondContact O-N 3.25Å; P86-V89 PolarHBondContact O-N 3Å; Q87-V89 VanDerWaalsContact C-N 3.34Å; V89-S91 VanDerWaalsContact C-N 3.31Å; V89-S91 PolarHBondContact O-N 3.21Å; V89-L92 WeakPolarHBondContact O-CB 3.3Å; V89-L92 PolarHBondContact O-N 3.02Å; V89-L92 VanDerWaalsContact O-N 3.12Å; V89-A93 PolarHBondContact O-N 2.95Å; V89-C124 HydrophobicContact CG2-CB 4.26Å; V89-A126 HydrophobicContact CG2-CB 3.58Å; V89-A129 HydrophobicContact CG1-CB 4.09Å |
| 90 | Y | 85.4 | Confident | 87.3 | Confident | 151 Ų | 151 | 54.2 Ų | 54.2 | 59% | 0.592 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -56.6 | -46.8 | 176.7 | 176.5 | -96.2 | 0 | 0 | 0 | 111.8 | P86 L92 A93 Q94 | P86-Y90 WeakPolarHBondContact O-CB 3.35Å; P86-Y90 PolarHBondContact O-N 2.96Å; Y90-L92 VanDerWaalsContact C-N 3.31Å; Y90-L92 PolarHBondContact O-N 3.29Å; Y90-A93 PolarHBondContact O-N 3.03Å; Y90-Q94 HydrophobicContact CE2-CG 4.35Å; Y90-Q94 PolarHBondContact O-N 3.36Å |
| 91 | S | 82 | Confident | 87.3 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.2 | -31.4 | 178.8 | -70.8 | 0 | 0 | 0 | 0 | 112.9 | Q87 L88 V89 A93 Q94 Q95 | Q87-S91 PolarHBondContact NE2-OG 2.86Å; Q87-S91 WeakPolarHBondContact O-CB 3.08Å; Q87-S91 PolarHBondContact O-N 2.91Å; Q87-S91 PolarHBondContact O-OG 3.5Å; L88-S91 PolarHBondContact O-N 3.4Å; V89-S91 VanDerWaalsContact C-N 3.31Å; V89-S91 PolarHBondContact O-N 3.21Å; S91-A93 PolarHBondContact O-N 2.71Å; S91-Q94 PolarHBondContact O-N 3.14Å; S91-Q95 WeakPolarHBondContact O-CB 3.38Å; S91-Q95 VanDerWaalsContact O-CG 3.3Å; S91-Q95 WeakPolarHBondContact O-CG 3.49Å; S91-Q95 PolarHBondContact O-N 3.35Å |
| 92 | L | 85.7 | Confident | 87.4 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.2 | -31.2 | 178 | -165.7 | 134.5 | 0 | 0 | 0 | 111.7 | L88 V89 Y90 K100 A103 A104 L107 A129 L130 C133 | L88-L92 VanDerWaalsContact O-CB 3.3Å; L88-L92 WeakPolarHBondContact O-CB 3.41Å; L88-L92 PolarHBondContact O-N 3.1Å; V89-L92 WeakPolarHBondContact O-CB 3.3Å; V89-L92 PolarHBondContact O-N 3.02Å; V89-L92 VanDerWaalsContact O-N 3.12Å; Y90-L92 VanDerWaalsContact C-N 3.31Å; Y90-L92 PolarHBondContact O-N 3.29Å; L92-K100 VanDerWaalsContact O-CE 3.22Å; L92-K100 WeakPolarHBondContact O-CE 3.38Å; L92-K100 WeakPolarHBondContact O-CG 3.34Å; L92-A103 HydrophobicContact CB-CB 4.33Å; L92-A103 HydrophobicContact CD1-CB 3.83Å; L92-A104 HydrophobicContact CD1-CB 4.21Å; L92-L107 HydrophobicContact CD1-CD1 3.88Å; L92-A129 HydrophobicContact CB-CB 4.47Å; L92-A129 HydrophobicContact CD2-CB 3.46Å; L92-A129 VanDerWaalsContact CD2-CB 3.46Å; L92-A129 WeakPolarHBondContact CD2-O 3.35Å; L92-L130 HydrophobicContact CD1-CD2 3.96Å; L92-L130 HydrophobicContact CD2-CD2 4.26Å; L92-L130 HydrophobicContact CD2-CG 4.41Å; L92-C133 HydrophobicContact CD2-CB 4.41Å; L92-C133 WeakPolarHBondContact CD2-SG 3.25Å |
| 93 | A | 78.4 | Confident | 87.7 | Confident | 45 Ų | 45 | 48.7 Ų | 48.7 | 37% | 0.372 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -76.9 | -36.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | V89 Y90 S91 | V89-A93 PolarHBondContact O-N 2.95Å; Y90-A93 PolarHBondContact O-N 3.03Å; S91-A93 PolarHBondContact O-N 2.71Å |
| 94 | Q | 78 | Confident | 88.1 | Confident | 136 Ų | 136 | 43.5 Ų | 43.5 | 64% | 0.636 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -110 | -17.1 | -164 | -61.2 | -63.3 | -25.5 | 0 | 0 | 115.3 | Y90 S91 | Y90-Q94 HydrophobicContact CE2-CG 4.35Å; Y90-Q94 PolarHBondContact O-N 3.36Å; S91-Q94 PolarHBondContact O-N 3.14Å |
| 95 | Q | 83.1 | Confident | 88.5 | Confident | 59 Ų | 59 | 46.2 Ų | 46.2 | 28% | 0.276 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -90.5 | 172.8 | -171.3 | -69.6 | -72 | -14.1 | 0 | 0 | 113.8 | S91 Y99 K100 | S91-Q95 WeakPolarHBondContact O-CB 3.38Å; S91-Q95 VanDerWaalsContact O-CG 3.3Å; S91-Q95 WeakPolarHBondContact O-CG 3.49Å; S91-Q95 PolarHBondContact O-N 3.35Å; Q95-Y99 HydrophobicContact CB-CD1 3.97Å; Q95-Y99 HydrophobicContact CB-CG 4.03Å; Q95-Y99 HydrophobicContact CG-CD1 4.07Å; Q95-Y99 HydrophobicContact CG-CG 4.2Å; Q95-K100 WeakPolarHBondContact O-CE 3.49Å |
| 96 | N | 87.5 | Confident | 88.7 | Confident | 66 Ų | 66 | 46.1 Ų | 46.1 | 35% | 0.353 | 22% | 0.217 | S | C | . | . | trans | -65.1 | 162.6 | 174.7 | 68.4 | 58.6 | 0 | 0 | 0 | 112.8 | F98 Y99 K100 | N96-F98 PolarHBondContact O-N 3.46Å; N96-F98 VanDerWaalsContact O-N 3.07Å; N96-F98 WeakPolarHBondContact OD1-CA 2.67Å; N96-F98 WeakPolarHBondContact OD1-CB 3.45Å; N96-F98 PolarHBondContact OD1-N 3.41Å; N96-Y99 PolarHBondContact O-N 3.4Å; N96-Y99 VanDerWaalsContact O-N 3.08Å; N96-Y99 PolarHBondContact OD1-N 3.4Å; N96-K100 PolarHBondContact O-N 3.47Å | ||
| 97 | R | 87.7 | Confident | 89 | Confident | 127 Ų | 127 | 42.8 Ų | 42.8 | 48% | 0.479 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -50.7 | -34.1 | 179.8 | 71.7 | -166.4 | -170.6 | 155.8 | -12.3 | 114.9 | R101 D138 V141 | R97-R101 VanDerWaalsContact O-CG 3.27Å; R97-R101 WeakPolarHBondContact O-CG 3.19Å; R97-R101 PolarHBondContact O-N 2.9Å; R97-R101 VanDerWaalsContact O-N 3.14Å; R97-D138 VanDerWaalsContact CD-OD2 3.28Å; R97-D138 WeakPolarHBondContact CD-OD2 3.48Å; R97-D138 IonicContact CZ-OD2 2.75Å; R97-D138 IonicContact NE-OD2 3.6Å; R97-D138 IonicContact NH1-OD2 2.61Å; R97-D138 PolarHBondContact NH1-OD2 2.98Å; R97-V141 HydrophobicContact CB-CG2 3.87Å; R97-V141 WeakPolarHBondContact O-CG2 3.28Å |
| 98 | F | 88.3 | Confident | 89.5 | Confident | 83 Ų | 83 | 43.7 Ų | 43.7 | 36% | 0.364 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -72.8 | -40 | -177.8 | -60.3 | -71.8 | 0 | 0 | 0 | 111.7 | Q59 N96 A102 | Q59-F98 HydrophobicContact CG-CB 4.5Å; N96-F98 PolarHBondContact O-N 3.46Å; N96-F98 VanDerWaalsContact O-N 3.07Å; N96-F98 WeakPolarHBondContact OD1-CA 2.67Å; N96-F98 WeakPolarHBondContact OD1-CB 3.45Å; N96-F98 PolarHBondContact OD1-N 3.41Å; F98-A102 PolarHBondContact O-N 3.32Å |
| 99 | Y | 88 | Confident | 90 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.9 | -41.7 | 174 | -167.1 | -80.6 | 0 | 0 | 0 | 111.2 | Q58 Q59 A62 Q95 N96 R101 A102 A103 | Q58-Y99 HydrophobicContact CB-CD2 3.92Å; Q58-Y99 HydrophobicContact CB-CE2 3.69Å; Q59-Y99 HydrophobicContact CB-CD2 4.48Å; A62-Y99 HydrophobicContact CB-CE2 4.31Å; Q95-Y99 HydrophobicContact CB-CD1 3.97Å; Q95-Y99 HydrophobicContact CB-CG 4.03Å; Q95-Y99 HydrophobicContact CG-CD1 4.07Å; Q95-Y99 HydrophobicContact CG-CG 4.2Å; N96-Y99 PolarHBondContact O-N 3.4Å; N96-Y99 VanDerWaalsContact O-N 3.08Å; N96-Y99 PolarHBondContact OD1-N 3.4Å; Y99-R101 VanDerWaalsContact C-N 3.29Å; Y99-R101 PolarHBondContact O-N 3Å; Y99-A102 CarbonylContact O-C 3.58Å; Y99-A102 WeakPolarHBondContact O-CA 3.3Å; Y99-A102 WeakPolarHBondContact O-CB 3.4Å; Y99-A102 PolarHBondContact O-N 2.92Å; Y99-A103 HydrophobicContact CD1-CB 4.08Å; Y99-A103 HydrophobicContact CE1-CB 3.8Å; Y99-A103 WeakPolarHBondContact O-CB 3.4Å; Y99-A103 PolarHBondContact O-N 2.9Å |
| 100 | K | 92.8 | Very high | 90.3 | Very high | 13 Ų | 13 | 43 Ų | 43 | 6% | 0.057 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -53 | -46.9 | 175.6 | -69.3 | -174.1 | 175.9 | -176.1 | 0 | 111.8 | L92 Q95 N96 A102 A103 A104 E136 V141 | L92-K100 VanDerWaalsContact O-CE 3.22Å; L92-K100 WeakPolarHBondContact O-CE 3.38Å; L92-K100 WeakPolarHBondContact O-CG 3.34Å; Q95-K100 WeakPolarHBondContact O-CE 3.49Å; N96-K100 PolarHBondContact O-N 3.47Å; K100-A102 PolarHBondContact O-N 3.24Å; K100-A103 PolarHBondContact O-N 3.21Å; K100-A104 WeakPolarHBondContact O-CB 3.47Å; K100-A104 PolarHBondContact O-N 2.96Å; K100-E136 HydrophobicContact CD-CG 4.42Å; K100-E136 IonicContact NZ-OE1 3.96Å; K100-E136 PolarHBondContact NZ-OE1 3.02Å; K100-E136 IonicContact NZ-OE2 2.93Å; K100-E136 PolarHBondContact NZ-OE2 3.49Å; K100-V141 HydrophobicContact CB-CG1 3.93Å; K100-V141 HydrophobicContact CB-CG2 4.28Å; K100-V141 HydrophobicContact CD-CG1 4.16Å |
| 101 | R | 92.8 | Very high | 91 | Very high | 82 Ų | 82 | 35.8 Ų | 35.8 | 31% | 0.309 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -57.8 | -46.2 | 173.7 | -69.6 | 170.6 | -173.7 | -172.2 | 1.5 | 112.4 | R97 Y99 F105 D138 A140 V141 | R97-R101 VanDerWaalsContact O-CG 3.27Å; R97-R101 WeakPolarHBondContact O-CG 3.19Å; R97-R101 PolarHBondContact O-N 2.9Å; R97-R101 VanDerWaalsContact O-N 3.14Å; Y99-R101 VanDerWaalsContact C-N 3.29Å; Y99-R101 PolarHBondContact O-N 3Å; R101-F105 WeakPolarHBondContact O-CB 3.38Å; R101-F105 PolarHBondContact O-N 3Å; R101-D138 IonicContact CZ-OD1 3.47Å; R101-D138 IonicContact CZ-OD2 3.62Å; R101-D138 IonicContact NE-OD1 2.64Å; R101-D138 PolarHBondContact NE-OD1 3.2Å; R101-D138 IonicContact NE-OD2 3.61Å; R101-D138 IonicContact NH2-OD1 2.84Å; R101-D138 PolarHBondContact NH2-OD1 3.16Å; R101-D138 IonicContact NH2-OD2 2.75Å; R101-D138 PolarHBondContact NH2-OD2 2.94Å; R101-A140 VanDerWaalsContact CZ-CB 3.49Å; R101-V141 HydrophobicContact CG-CG2 3.8Å |
| 102 | A | 92.6 | Very high | 91.7 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 3% | 0.033 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.4 | -45.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q59 A62 I63 F98 Y99 K100 F105 V106 | Q59-A102 HydrophobicContact CG-CB 4.03Å; A62-A102 HydrophobicContact CB-CB 3.85Å; I63-A102 HydrophobicContact CG1-CB 3.93Å; F98-A102 PolarHBondContact O-N 3.32Å; Y99-A102 CarbonylContact O-C 3.58Å; Y99-A102 WeakPolarHBondContact O-CA 3.3Å; Y99-A102 WeakPolarHBondContact O-CB 3.4Å; Y99-A102 PolarHBondContact O-N 2.92Å; K100-A102 PolarHBondContact O-N 3.24Å; A102-F105 WeakPolarHBondContact O-CB 3.26Å; A102-F105 PolarHBondContact O-N 3.06Å; A102-V106 WeakPolarHBondContact O-CG2 3.04Å; A102-V106 PolarHBondContact O-N 3.44Å |
| 103 | A | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63 | -45.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L88 L92 Y99 K100 F105 V106 L107 | L88-A103 HydrophobicContact CD2-CB 4.37Å; L92-A103 HydrophobicContact CB-CB 4.33Å; L92-A103 HydrophobicContact CD1-CB 3.83Å; Y99-A103 HydrophobicContact CD1-CB 4.08Å; Y99-A103 HydrophobicContact CE1-CB 3.8Å; Y99-A103 WeakPolarHBondContact O-CB 3.4Å; Y99-A103 PolarHBondContact O-N 2.9Å; K100-A103 PolarHBondContact O-N 3.21Å; A103-F105 VanDerWaalsContact C-N 3.27Å; A103-F105 PolarHBondContact O-N 2.94Å; A103-V106 WeakPolarHBondContact O-CB 3.42Å; A103-V106 PolarHBondContact O-N 3.29Å; A103-L107 WeakPolarHBondContact O-CG 3.4Å; A103-L107 PolarHBondContact O-N 3.28Å |
| 104 | A | 96.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 2% | 0.017 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.1 | -37.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | L92 K100 L107 K108 L130 | L92-A104 HydrophobicContact CD1-CB 4.21Å; K100-A104 WeakPolarHBondContact O-CB 3.47Å; K100-A104 PolarHBondContact O-N 2.96Å; A104-L107 PolarHBondContact O-N 3.31Å; A104-K108 VanDerWaalsContact O-CB 3.27Å; A104-K108 WeakPolarHBondContact O-CB 3.25Å; A104-K108 PolarHBondContact O-N 3.32Å; A104-L130 HydrophobicContact CB-CD2 4.27Å |
| 105 | F | 96 | Very high | 94.2 | Very high | 62 Ų | 62 | 34.5 Ų | 34.5 | 27% | 0.272 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62.8 | -39.5 | 172.7 | 172 | -115.8 | 0 | 0 | 0 | 112.5 | G66 R67 R101 A102 A103 S109 | G66-F105 VanDerWaalsContact C-CE1 3.41Å; R67-F105 HydrophobicContact CG-CE1 4.1Å; R67-F105 HydrophobicContact CG-CZ 4.25Å; R101-F105 WeakPolarHBondContact O-CB 3.38Å; R101-F105 PolarHBondContact O-N 3Å; A102-F105 WeakPolarHBondContact O-CB 3.26Å; A102-F105 PolarHBondContact O-N 3.06Å; A103-F105 VanDerWaalsContact C-N 3.27Å; A103-F105 PolarHBondContact O-N 2.94Å; F105-S109 WeakPolarHBondContact CE2-OG 3.37Å; F105-S109 VanDerWaalsContact O-CB 3.25Å; F105-S109 WeakPolarHBondContact O-CB 3.38Å; F105-S109 PolarHBondContact O-N 3.05Å; F105-S109 PolarHBondContact O-OG 3.2Å |
| 106 | V | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.5 | -49.4 | 174.1 | -174.2 | 0 | 0 | 0 | 0 | 110.9 | A62 L65 L88 A102 A103 K108 S109 I110 | A62-V106 HydrophobicContact CB-CG2 4.2Å; A62-V106 WeakPolarHBondContact O-CG2 3.38Å; L65-V106 HydrophobicContact CB-CG1 4.49Å; L65-V106 HydrophobicContact CB-CG2 4.37Å; L88-V106 HydrophobicContact CD1-CB 3.95Å; L88-V106 HydrophobicContact CD1-CG1 3.52Å; L88-V106 HydrophobicContact CD2-CG2 4.41Å; A102-V106 WeakPolarHBondContact O-CG2 3.04Å; A102-V106 PolarHBondContact O-N 3.44Å; A103-V106 WeakPolarHBondContact O-CB 3.42Å; A103-V106 PolarHBondContact O-N 3.29Å; V106-K108 PolarHBondContact O-N 3.15Å; V106-S109 WeakPolarHBondContact O-CB 3.21Å; V106-S109 PolarHBondContact O-N 3.36Å; V106-S109 VanDerWaalsContact O-N 3.07Å; V106-I110 HydrophobicContact CG1-CD1 3.79Å; V106-I110 HydrophobicContact CG1-CG1 4.37Å; V106-I110 WeakPolarHBondContact O-CG1 3.48Å; V106-I110 PolarHBondContact O-N 2.76Å |
| 107 | L | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.8 | -47 | -179.6 | -64.8 | 177.3 | 0 | 0 | 0 | 111.6 | L85 L92 A103 A104 S109 I110 A111 I121 A126 L130 A148 | L85-L107 HydrophobicContact CD2-CD2 3.87Å; L92-L107 HydrophobicContact CD1-CD1 3.88Å; A103-L107 WeakPolarHBondContact O-CG 3.4Å; A103-L107 PolarHBondContact O-N 3.28Å; A104-L107 PolarHBondContact O-N 3.31Å; L107-S109 VanDerWaalsContact C-N 3.29Å; L107-S109 PolarHBondContact O-N 2.88Å; L107-I110 PolarHBondContact O-N 3.13Å; L107-A111 VanDerWaalsContact O-CB 3.26Å; L107-A111 WeakPolarHBondContact O-CB 3.34Å; L107-A111 PolarHBondContact O-N 3.35Å; L107-I121 HydrophobicContact CD2-CG1 4.29Å; L107-I121 HydrophobicContact CD2-CG2 4.13Å; L107-I121 WeakPolarHBondContact O-CD1 3.43Å; L107-A126 HydrophobicContact CD1-CB 4.18Å; L107-L130 HydrophobicContact CD1-CD1 4.19Å; L107-L130 HydrophobicContact CD1-CD2 4.09Å; L107-L130 HydrophobicContact CD1-CG 4.2Å; L107-A148 HydrophobicContact CB-CB 4.38Å |
| 108 | K | 97.6 | Very high | 95.9 | Very high | 70 Ų | 70 | 29 Ų | 29 | 30% | 0.304 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -53.3 | -47.4 | 171.7 | 178.9 | -162.8 | 176.9 | 171.9 | 0 | 111.8 | A104 V106 I110 A111 K112 C147 A148 C151 | A104-K108 VanDerWaalsContact O-CB 3.27Å; A104-K108 WeakPolarHBondContact O-CB 3.25Å; A104-K108 PolarHBondContact O-N 3.32Å; V106-K108 PolarHBondContact O-N 3.15Å; K108-I110 VanDerWaalsContact C-N 3.29Å; K108-I110 PolarHBondContact O-N 3.22Å; K108-A111 PolarHBondContact O-N 2.93Å; K108-K112 WeakPolarHBondContact O-CB 3.23Å; K108-K112 PolarHBondContact O-N 3.37Å; K108-C147 HydrophobicContact CD-CB 3.82Å; K108-C147 HydrophobicContact CG-CB 4.29Å; K108-A148 HydrophobicContact CB-CB 4.02Å; K108-C151 HydrophobicContact CG-CB 4.45Å |
| 109 | S | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.2 | -28.2 | -175.4 | -61.9 | 0 | 0 | 0 | 0 | 113.1 | G66 F105 V106 L107 K112 H113 | G66-S109 WeakPolarHBondContact O-CB 3.44Å; G66-S109 PolarHBondContact O-OG 3.46Å; F105-S109 WeakPolarHBondContact CE2-OG 3.37Å; F105-S109 VanDerWaalsContact O-CB 3.25Å; F105-S109 WeakPolarHBondContact O-CB 3.38Å; F105-S109 PolarHBondContact O-N 3.05Å; F105-S109 PolarHBondContact O-OG 3.2Å; V106-S109 WeakPolarHBondContact O-CB 3.21Å; V106-S109 PolarHBondContact O-N 3.36Å; V106-S109 VanDerWaalsContact O-N 3.07Å; L107-S109 VanDerWaalsContact C-N 3.29Å; L107-S109 PolarHBondContact O-N 2.88Å; S109-K112 WeakPolarHBondContact O-CG 3.47Å; S109-H113 PolarHBondContact O-CD2 2.9Å; S109-H113 PolarHBondContact O-NE2 3.44Å |
| 110 | I | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -79.7 | -53.1 | 172.3 | -64.6 | 168.4 | 0 | 0 | 0 | 110 | A69 A76 I79 V80 L85 V106 L107 K108 K112 H113 L117 I121 | A69-I110 HydrophobicContact CB-CG1 3.98Å; A76-I110 HydrophobicContact CB-CB 4.38Å; A76-I110 HydrophobicContact CB-CG1 4.2Å; A76-I110 HydrophobicContact CB-CG2 4.26Å; I79-I110 HydrophobicContact CB-CD1 4.4Å; I79-I110 HydrophobicContact CG2-CD1 3.66Å; V80-I110 HydrophobicContact CG2-CG2 3.77Å; L85-I110 HydrophobicContact CD2-CD1 3.77Å; V106-I110 HydrophobicContact CG1-CD1 3.79Å; V106-I110 HydrophobicContact CG1-CG1 4.37Å; V106-I110 WeakPolarHBondContact O-CG1 3.48Å; V106-I110 PolarHBondContact O-N 2.76Å; L107-I110 PolarHBondContact O-N 3.13Å; K108-I110 VanDerWaalsContact C-N 3.29Å; K108-I110 PolarHBondContact O-N 3.22Å; I110-K112 VanDerWaalsContact C-N 3.26Å; I110-K112 PolarHBondContact O-N 3.08Å; I110-H113 PolarHBondContact O-N 3.18Å; I110-L117 HydrophobicContact CG2-CB 4.07Å; I110-L117 HydrophobicContact CG2-CD2 4.21Å; I110-I121 HydrophobicContact CB-CD1 3.91Å; I110-I121 HydrophobicContact CG2-CD1 3.72Å; I110-I121 HydrophobicContact CG2-CG1 4.25Å |
| 111 | A | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -55 | -40.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112 | L107 K108 H113 S118 I121 C151 I152 H155 | L107-A111 VanDerWaalsContact O-CB 3.26Å; L107-A111 WeakPolarHBondContact O-CB 3.34Å; L107-A111 PolarHBondContact O-N 3.35Å; K108-A111 PolarHBondContact O-N 2.93Å; A111-H113 PolarHBondContact O-N 2.87Å; A111-S118 PolarHBondContact O-OG 3.06Å; A111-I121 HydrophobicContact CB-CD1 3.65Å; A111-C151 HydrophobicContact CB-CB 3.81Å; A111-I152 HydrophobicContact CB-CG1 3.8Å; A111-H155 PolarHBondContact O-NE2 2.89Å |
| 112 | K | 97.4 | Very high | 97.4 | Very high | 59 Ų | 59 | 27 Ų | 27 | 26% | 0.257 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -17.6 | -173.3 | 73.3 | 174.1 | -165.1 | 166.6 | 0 | 115.2 | N70 K108 S109 I110 C151 K154 | N70-K112 VanDerWaalsContact CG-NZ 3.3Å; N70-K112 WeakPolarHBondContact O-CE 3.47Å; N70-K112 PolarHBondContact O-NZ 3.08Å; N70-K112 WeakPolarHBondContact OD1-CE 3.33Å; N70-K112 PolarHBondContact OD1-NZ 2.89Å; K108-K112 WeakPolarHBondContact O-CB 3.23Å; K108-K112 PolarHBondContact O-N 3.37Å; S109-K112 WeakPolarHBondContact O-CG 3.47Å; I110-K112 VanDerWaalsContact C-N 3.26Å; I110-K112 PolarHBondContact O-N 3.08Å; K112-C151 HydrophobicContact CB-CB 4.34Å; K112-K154 WeakPolarHBondContact O-CE 3.35Å; K112-K154 PolarHBondContact O-NZ 3.08Å |
| 113 | H | 98 | Very high | 97.6 | Very high | 52 Ų | 52 | 32.3 Ų | 32.3 | 24% | 0.241 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -36.4 | -170.7 | -71.7 | -66.6 | 0 | 0 | 0 | 114.7 | A69 K73 S109 I110 A111 L117 | A69-H113 PolarHBondContact O-NE2 3.03Å; K73-H113 HydrophobicContact CB-CB 4.23Å; K73-H113 HydrophobicContact CD-CB 4.37Å; K73-H113 HydrophobicContact CG-CB 3.96Å; S109-H113 PolarHBondContact O-CD2 2.9Å; S109-H113 PolarHBondContact O-NE2 3.44Å; I110-H113 PolarHBondContact O-N 3.18Å; A111-H113 PolarHBondContact O-N 2.87Å; H113-L117 HydrophobicContact CB-CD1 3.77Å |
| 114 | S | 98.1 | Very high | 97.6 | Very high | 11 Ų | 11 | 34.4 Ų | 34.4 | 8% | 0.077 | 18% | 0.18 | C | C | . | . | trans | -163.7 | 167.6 | 178.4 | 78.6 | 0 | 0 | 0 | 0 | 113.9 | E116 L117 S118 H155 | S114-E116 WeakPolarHBondContact CB-OE2 3.39Å; S114-E116 PolarHBondContact OG-OE2 3.3Å; S114-L117 PolarHBondContact OG-N 2.72Å; S114-S118 WeakPolarHBondContact O-CB 3.19Å; S114-S118 PolarHBondContact O-N 2.93Å; S114-S118 VanDerWaalsContact O-N 3.13Å; S114-S118 PolarHBondContact O-OG 3.33Å; S114-H155 VanDerWaalsContact C-CE1 3.46Å; S114-H155 VanDerWaalsContact CA-CE1 3.46Å; S114-H155 WeakPolarHBondContact CA-CE1 3.4Å; S114-H155 PolarHBondContact N-CE1 2.89Å; S114-H155 PolarHBondContact O-NE2 3.12Å | ||
| 115 | A | 98.3 | Very high | 97.6 | Very high | 35 Ų | 35 | 35.8 Ų | 35.8 | 29% | 0.289 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.5 | -41.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L117 S118 Q119 H155 L159 | A115-L117 PolarHBondContact O-N 3.18Å; A115-S118 CarbonylContact O-C 3.59Å; A115-S118 WeakPolarHBondContact O-CB 3.33Å; A115-S118 PolarHBondContact O-N 3.08Å; A115-Q119 WeakPolarHBondContact O-CB 3.11Å; A115-Q119 PolarHBondContact O-N 3.45Å; A115-H155 HydrophobicContact CB-CB 3.98Å; A115-L159 HydrophobicContact CB-CD1 4.15Å |
| 116 | E | 98.4 | Very high | 97.6 | Very high | 127 Ų | 127 | 32.8 Ų | 32.8 | 59% | 0.593 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -66.6 | -39.2 | -177.5 | -52 | 78 | -168.7 | 0 | 0 | 112.1 | S114 Q119 S120 | S114-E116 WeakPolarHBondContact CB-OE2 3.39Å; S114-E116 PolarHBondContact OG-OE2 3.3Å; E116-Q119 PolarHBondContact O-N 3.35Å; E116-S120 PolarHBondContact O-N 3.26Å; E116-S120 PolarHBondContact O-OG 3.07Å |
| 117 | L | 98.4 | Very high | 97.7 | Very high | 8 Ų | 8 | 33.2 Ų | 33.2 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.5 | -37.7 | 174.7 | -72.6 | 173.5 | 0 | 0 | 0 | 111.5 | K73 A76 E77 V80 I110 H113 S114 A115 S120 I121 | K73-L117 HydrophobicContact CG-CD1 4.16Å; A76-L117 HydrophobicContact CB-CD1 3.91Å; E77-L117 HydrophobicContact CG-CD1 4.35Å; E77-L117 HydrophobicContact CG-CD2 4Å; V80-L117 HydrophobicContact CB-CD2 4.3Å; V80-L117 HydrophobicContact CG2-CD2 3.73Å; I110-L117 HydrophobicContact CG2-CB 4.07Å; I110-L117 HydrophobicContact CG2-CD2 4.21Å; H113-L117 HydrophobicContact CB-CD1 3.77Å; S114-L117 PolarHBondContact OG-N 2.72Å; A115-L117 PolarHBondContact O-N 3.18Å; L117-S120 PolarHBondContact O-N 3.4Å; L117-I121 WeakPolarHBondContact O-CG1 3.3Å; L117-I121 PolarHBondContact O-N 3.04Å |
| 118 | S | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.1 | -41.6 | 174.2 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | A111 S114 A115 S120 I121 V122 H155 | A111-S118 PolarHBondContact O-OG 3.06Å; S114-S118 WeakPolarHBondContact O-CB 3.19Å; S114-S118 PolarHBondContact O-N 2.93Å; S114-S118 VanDerWaalsContact O-N 3.13Å; S114-S118 PolarHBondContact O-OG 3.33Å; A115-S118 CarbonylContact O-C 3.59Å; A115-S118 WeakPolarHBondContact O-CB 3.33Å; A115-S118 PolarHBondContact O-N 3.08Å; S118-S120 VanDerWaalsContact C-N 3.35Å; S118-S120 PolarHBondContact O-N 2.97Å; S118-I121 WeakPolarHBondContact O-CB 3.28Å; S118-I121 PolarHBondContact O-N 3.37Å; S118-I121 VanDerWaalsContact O-N 3.14Å; S118-V122 WeakPolarHBondContact O-CG2 3.41Å; S118-V122 PolarHBondContact O-N 3.25Å; S118-H155 PolarHBondContact OG-CD2 3.44Å; S118-H155 PolarHBondContact OG-NE2 2.89Å |
| 119 | Q | 98.5 | Very high | 97.5 | Very high | 75 Ų | 75 | 35.4 Ų | 35.4 | 35% | 0.35 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.7 | -44.2 | 174.6 | -170.8 | 61.6 | 53.2 | 0 | 0 | 111.1 | A115 E116 I121 V122 D123 L159 | A115-Q119 WeakPolarHBondContact O-CB 3.11Å; A115-Q119 PolarHBondContact O-N 3.45Å; E116-Q119 PolarHBondContact O-N 3.35Å; Q119-I121 PolarHBondContact O-N 2.84Å; Q119-V122 CarbonylContact O-C 3.59Å; Q119-V122 WeakPolarHBondContact O-CA 3.47Å; Q119-V122 WeakPolarHBondContact O-CB 3.28Å; Q119-V122 PolarHBondContact O-N 2.94Å; Q119-D123 PolarHBondContact NE2-OD1 2.97Å; Q119-D123 WeakPolarHBondContact O-CB 3.39Å; Q119-D123 PolarHBondContact O-N 3.02Å; Q119-L159 HydrophobicContact CB-CD2 4.33Å |
| 120 | S | 98 | Very high | 97.5 | Very high | 36 Ų | 36 | 35.4 Ų | 35.4 | 25% | 0.252 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.3 | -34.5 | 176.2 | -56.2 | 0 | 0 | 0 | 0 | 112.7 | E116 L117 S118 C124 | E116-S120 PolarHBondContact O-N 3.26Å; E116-S120 PolarHBondContact O-OG 3.07Å; L117-S120 PolarHBondContact O-N 3.4Å; S118-S120 VanDerWaalsContact C-N 3.35Å; S118-S120 PolarHBondContact O-N 2.97Å; S120-C124 PolarHBondContact O-N 3.4Å; S120-C124 PolarHBondContact O-SG 3Å |
| 121 | I | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.5 | -44.2 | 174.5 | -69.8 | 165.5 | 0 | 0 | 0 | 110.8 | L85 L107 I110 A111 L117 S118 Q119 C124 A126 I152 | L85-I121 HydrophobicContact CD1-CG1 4.09Å; L85-I121 HydrophobicContact CD2-CG1 4.1Å; L107-I121 HydrophobicContact CD2-CG1 4.29Å; L107-I121 HydrophobicContact CD2-CG2 4.13Å; L107-I121 WeakPolarHBondContact O-CD1 3.43Å; I110-I121 HydrophobicContact CB-CD1 3.91Å; I110-I121 HydrophobicContact CG2-CD1 3.72Å; I110-I121 HydrophobicContact CG2-CG1 4.25Å; A111-I121 HydrophobicContact CB-CD1 3.65Å; L117-I121 WeakPolarHBondContact O-CG1 3.3Å; L117-I121 PolarHBondContact O-N 3.04Å; S118-I121 WeakPolarHBondContact O-CB 3.28Å; S118-I121 PolarHBondContact O-N 3.37Å; S118-I121 VanDerWaalsContact O-N 3.14Å; Q119-I121 PolarHBondContact O-N 2.84Å; I121-C124 PolarHBondContact O-N 2.68Å; I121-A126 HydrophobicContact CG2-CB 3.37Å; I121-A126 WeakPolarHBondContact O-CB 3.47Å; I121-A126 PolarHBondContact O-N 3.46Å; I121-I152 HydrophobicContact CG2-CD1 3.8Å |
| 122 | V | 98.2 | Very high | 97.3 | Very high | 27 Ų | 27 | 39.2 Ų | 39.2 | 16% | 0.164 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.4 | -47.9 | 176.2 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | S118 Q119 C124 G125 L127 I152 L159 A162 | S118-V122 WeakPolarHBondContact O-CG2 3.41Å; S118-V122 PolarHBondContact O-N 3.25Å; Q119-V122 CarbonylContact O-C 3.59Å; Q119-V122 WeakPolarHBondContact O-CA 3.47Å; Q119-V122 WeakPolarHBondContact O-CB 3.28Å; Q119-V122 PolarHBondContact O-N 2.94Å; V122-C124 PolarHBondContact O-N 3.27Å; V122-C124 VanDerWaalsContact O-N 3.13Å; V122-G125 PolarHBondContact O-N 2.83Å; V122-L127 HydrophobicContact CB-CD1 4.44Å; V122-L127 HydrophobicContact CG1-CD1 4.03Å; V122-L127 HydrophobicContact CG2-CD1 3.73Å; V122-L127 HydrophobicContact CG2-CG 4.01Å; V122-I152 HydrophobicContact CG2-CG2 3.78Å; V122-L159 HydrophobicContact CG2-CD2 3.93Å; V122-A162 HydrophobicContact CG1-CB 4.17Å |
| 123 | D | 96.9 | Very high | 97.3 | Very high | 115 Ų | 115 | 36.4 Ų | 36.4 | 62% | 0.615 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -60.9 | -25 | -179.4 | -63.4 | -18 | 0 | 0 | 0 | 112.7 | Q119 G125 | Q119-D123 PolarHBondContact NE2-OD1 2.97Å; Q119-D123 WeakPolarHBondContact O-CB 3.39Å; Q119-D123 PolarHBondContact O-N 3.02Å; D123-G125 VanDerWaalsContact C-N 3.26Å; D123-G125 PolarHBondContact O-N 3.37Å |
| 124 | C | 94.8 | Very high | 97.3 | Very high | 44 Ų | 44 | 34.1 Ų | 34.1 | 30% | 0.297 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 4.7 | 174.6 | -68.4 | 0 | 0 | 0 | 0 | 113.9 | L85 V89 S120 I121 V122 | L85-C124 HydrophobicContact CB-CB 4.13Å; L85-C124 VanDerWaalsContact CB-SG 3.6Å; V89-C124 HydrophobicContact CG2-CB 4.26Å; S120-C124 PolarHBondContact O-N 3.4Å; S120-C124 PolarHBondContact O-SG 3Å; I121-C124 PolarHBondContact O-N 2.68Å; V122-C124 PolarHBondContact O-N 3.27Å; V122-C124 VanDerWaalsContact O-N 3.13Å |
| 125 | G | 95.1 | Very high | 97.2 | Very high | 30 Ų | 30 | 39.4 Ų | 39.4 | 31% | 0.309 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 21.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | V122 D123 L127 | V122-G125 PolarHBondContact O-N 2.83Å; D123-G125 VanDerWaalsContact C-N 3.26Å; D123-G125 PolarHBondContact O-N 3.37Å; G125-L127 VanDerWaalsContact C-N 3.32Å; G125-L127 PolarHBondContact O-N 3.33Å |
| 126 | A | 96.7 | Very high | 97 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.7 | -28 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V89 L107 I121 A129 L130 | V89-A126 HydrophobicContact CG2-CB 3.58Å; L107-A126 HydrophobicContact CD1-CB 4.18Å; I121-A126 HydrophobicContact CG2-CB 3.37Å; I121-A126 WeakPolarHBondContact O-CB 3.47Å; I121-A126 PolarHBondContact O-N 3.46Å; A126-A129 PolarHBondContact O-N 2.85Å; A126-L130 HydrophobicContact CB-CD1 4.48Å; A126-L130 WeakPolarHBondContact O-CB 3.49Å; A126-L130 WeakPolarHBondContact O-CG 3.46Å; A126-L130 PolarHBondContact O-N 3.45Å |
| 127 | L | 97.9 | Very high | 96.8 | Very high | 9 Ų | 9 | 44.3 Ų | 44.3 | 5% | 0.047 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.1 | -42 | -177.5 | -76.6 | -178.5 | 0 | 0 | 0 | 112.3 | V122 G125 A129 L130 T131 I152 A162 V163 A166 | V122-L127 HydrophobicContact CB-CD1 4.44Å; V122-L127 HydrophobicContact CG1-CD1 4.03Å; V122-L127 HydrophobicContact CG2-CD1 3.73Å; V122-L127 HydrophobicContact CG2-CG 4.01Å; G125-L127 VanDerWaalsContact C-N 3.32Å; G125-L127 PolarHBondContact O-N 3.33Å; L127-A129 VanDerWaalsContact C-N 3.33Å; L127-A129 PolarHBondContact O-N 3.32Å; L127-L130 PolarHBondContact O-N 2.92Å; L127-T131 VanDerWaalsContact O-CB 3.31Å; L127-T131 WeakPolarHBondContact O-CB 3.34Å; L127-T131 PolarHBondContact O-N 2.93Å; L127-T131 PolarHBondContact O-OG1 2.96Å; L127-I152 HydrophobicContact CD2-CD1 3.7Å; L127-I152 HydrophobicContact CD2-CG2 4.43Å; L127-A162 HydrophobicContact CD1-CB 3.78Å; L127-A162 WeakPolarHBondContact CD1-O 3.29Å; L127-V163 HydrophobicContact CD1-CG2 4.15Å; L127-V163 HydrophobicContact CD2-CG2 3.76Å; L127-A166 HydrophobicContact CB-CB 3.81Å; L127-A166 HydrophobicContact CD1-CB 4.42Å |
| 128 | D | 96.1 | Very high | 96.7 | Very high | 106 Ų | 106 | 44.6 Ų | 44.6 | 57% | 0.567 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -60.8 | -46.3 | 176.1 | -61.8 | -31.2 | 0 | 0 | 0 | 110.6 | L130 T131 V132 | D128-L130 PolarHBondContact O-N 2.63Å; D128-T131 WeakPolarHBondContact O-CB 3.27Å; D128-T131 PolarHBondContact O-N 3.1Å; D128-V132 WeakPolarHBondContact O-CG2 3.4Å; D128-V132 PolarHBondContact O-N 2.91Å |
| 129 | A | 95.8 | Very high | 96.6 | Very high | 10 Ų | 10 | 46 Ų | 46 | 8% | 0.083 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.7 | -40.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | V89 L92 A126 L127 T131 V132 C133 | V89-A129 HydrophobicContact CG1-CB 4.09Å; L92-A129 HydrophobicContact CB-CB 4.47Å; L92-A129 HydrophobicContact CD2-CB 3.46Å; L92-A129 VanDerWaalsContact CD2-CB 3.46Å; L92-A129 WeakPolarHBondContact CD2-O 3.35Å; A126-A129 PolarHBondContact O-N 2.85Å; L127-A129 VanDerWaalsContact C-N 3.33Å; L127-A129 PolarHBondContact O-N 3.32Å; A129-T131 VanDerWaalsContact C-N 3.34Å; A129-V132 PolarHBondContact O-N 3.34Å; A129-C133 PolarHBondContact O-N 3.08Å; A129-C133 VanDerWaalsContact O-N 3.11Å; A129-C133 PolarHBondContact O-SG 3.34Å; A129-C133 VanDerWaalsContact O-SG 3.34Å |
| 130 | L | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.5 | -36.9 | 175.7 | -73.7 | 169.2 | 0 | 0 | 0 | 111.8 | L92 A104 L107 A126 L127 D128 C133 L134 A145 A148 I149 I152 | L92-L130 HydrophobicContact CD1-CD2 3.96Å; L92-L130 HydrophobicContact CD2-CD2 4.26Å; L92-L130 HydrophobicContact CD2-CG 4.41Å; A104-L130 HydrophobicContact CB-CD2 4.27Å; L107-L130 HydrophobicContact CD1-CD1 4.19Å; L107-L130 HydrophobicContact CD1-CD2 4.09Å; L107-L130 HydrophobicContact CD1-CG 4.2Å; A126-L130 HydrophobicContact CB-CD1 4.48Å; A126-L130 WeakPolarHBondContact O-CB 3.49Å; A126-L130 WeakPolarHBondContact O-CG 3.46Å; A126-L130 PolarHBondContact O-N 3.45Å; L127-L130 PolarHBondContact O-N 2.92Å; D128-L130 PolarHBondContact O-N 2.63Å; L130-C133 WeakPolarHBondContact O-CB 3.46Å; L130-C133 PolarHBondContact O-N 3.42Å; L130-C133 VanDerWaalsContact O-N 3.16Å; L130-L134 PolarHBondContact O-N 3.37Å; L130-A145 HydrophobicContact CD2-CB 4.17Å; L130-A145 WeakPolarHBondContact O-CB 3.29Å; L130-A148 HydrophobicContact CD1-CB 3.96Å; L130-A148 HydrophobicContact CD2-CB 3.85Å; L130-I149 HydrophobicContact CB-CD1 4.05Å; L130-I149 HydrophobicContact CB-CG1 3.95Å; L130-I149 HydrophobicContact CD1-CG1 4.22Å; L130-I152 HydrophobicContact CD1-CD1 4.09Å |
| 131 | T | 97.7 | Very high | 96.4 | Very high | 12 Ų | 12 | 42.4 Ų | 42.4 | 7% | 0.074 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.8 | -46.6 | 176.2 | -61.3 | 0 | 0 | 0 | 0 | 110.6 | L127 D128 A129 C133 L134 A166 L171 | L127-T131 VanDerWaalsContact O-CB 3.31Å; L127-T131 WeakPolarHBondContact O-CB 3.34Å; L127-T131 PolarHBondContact O-N 2.93Å; L127-T131 PolarHBondContact O-OG1 2.96Å; D128-T131 WeakPolarHBondContact O-CB 3.27Å; D128-T131 PolarHBondContact O-N 3.1Å; A129-T131 VanDerWaalsContact C-N 3.34Å; T131-C133 PolarHBondContact O-N 3.36Å; T131-L134 VanDerWaalsContact O-CB 3.29Å; T131-L134 WeakPolarHBondContact O-CB 3.26Å; T131-L134 PolarHBondContact O-N 3.27Å; T131-A166 WeakPolarHBondContact CG2-O 3.37Å; T131-L171 HydrophobicContact CG2-CD1 3.5Å; T131-L171 VanDerWaalsContact O-CD1 3.3Å; T131-L171 WeakPolarHBondContact O-CD1 3.39Å |
| 132 | V | 95.5 | Very high | 96.4 | Very high | 67 Ų | 67 | 43.5 Ų | 43.5 | 41% | 0.406 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.6 | -34.7 | 172.8 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | D128 A129 L134 E135 | D128-V132 WeakPolarHBondContact O-CG2 3.4Å; D128-V132 PolarHBondContact O-N 2.91Å; A129-V132 PolarHBondContact O-N 3.34Å; V132-L134 PolarHBondContact O-N 3.45Å; V132-E135 WeakPolarHBondContact O-CB 3.25Å; V132-E135 PolarHBondContact O-N 2.91Å; V132-E135 VanDerWaalsContact O-N 3.07Å |
| 133 | C | 96.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.6 | -18.8 | 176 | -73.8 | 0 | 0 | 0 | 0 | 114.2 | L92 A129 L130 T131 E135 V141 A145 | L92-C133 HydrophobicContact CD2-CB 4.41Å; L92-C133 WeakPolarHBondContact CD2-SG 3.25Å; A129-C133 PolarHBondContact O-N 3.08Å; A129-C133 VanDerWaalsContact O-N 3.11Å; A129-C133 PolarHBondContact O-SG 3.34Å; A129-C133 VanDerWaalsContact O-SG 3.34Å; L130-C133 WeakPolarHBondContact O-CB 3.46Å; L130-C133 PolarHBondContact O-N 3.42Å; L130-C133 VanDerWaalsContact O-N 3.16Å; T131-C133 PolarHBondContact O-N 3.36Å; C133-E135 VanDerWaalsContact C-N 3.25Å; C133-V141 HydrophobicContact CB-CG1 3.89Å; C133-A145 HydrophobicContact CB-CB 3.67Å |
| 134 | L | 98 | Very high | 96.5 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -73.2 | -18.9 | 171.5 | -62 | 175.2 | 0 | 0 | 0 | 112.3 | L130 T131 V132 K142 A145 A146 I149 A168 L171 L172 | L130-L134 PolarHBondContact O-N 3.37Å; T131-L134 VanDerWaalsContact O-CB 3.29Å; T131-L134 WeakPolarHBondContact O-CB 3.26Å; T131-L134 PolarHBondContact O-N 3.27Å; V132-L134 PolarHBondContact O-N 3.45Å; L134-K142 WeakPolarHBondContact O-CD 3.27Å; L134-K142 VanDerWaalsContact O-CE 3.23Å; L134-K142 WeakPolarHBondContact O-CE 3.41Å; L134-A145 HydrophobicContact CD2-CB 3.92Å; L134-A145 HydrophobicContact CG-CB 4.34Å; L134-A146 HydrophobicContact CD2-CB 4.01Å; L134-I149 HydrophobicContact CD1-CD1 3.72Å; L134-I149 HydrophobicContact CD2-CD1 4.45Å; L134-I149 HydrophobicContact CG-CD1 4.17Å; L134-A168 HydrophobicContact CD1-CB 4.41Å; L134-L171 HydrophobicContact CB-CB 3.82Å; L134-L171 HydrophobicContact CB-CD1 4.03Å; L134-L171 HydrophobicContact CD1-CB 3.83Å; L134-L171 HydrophobicContact CD1-CD1 4.49Å; L134-L172 HydrophobicContact CD1-CD2 3.99Å; L134-L172 HydrophobicContact CD1-CG 3.99Å; L134-L172 HydrophobicContact CD2-CD2 4.23Å |
| 135 | E | 95.9 | Very high | 96.6 | Very high | 123 Ų | 123 | 38.5 Ų | 38.5 | 58% | 0.575 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -87.5 | -11.3 | 179.3 | -55.5 | -178.3 | 93.4 | 0 | 0 | 113.3 | V132 C133 L171 | V132-E135 WeakPolarHBondContact O-CB 3.25Å; V132-E135 PolarHBondContact O-N 2.91Å; V132-E135 VanDerWaalsContact O-N 3.07Å; C133-E135 VanDerWaalsContact C-N 3.25Å; E135-L171 HydrophobicContact CG-CD1 3.64Å; E135-L171 HydrophobicContact CG-CD2 3.86Å; E135-L171 HydrophobicContact CG-CG 4.41Å |
| 136 | E | 95 | Very high | 96.8 | Very high | 57 Ų | 57 | 37 Ų | 37 | 27% | 0.266 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -63.7 | 153.5 | -176.6 | -74.5 | -81.6 | 127.7 | 0 | 0 | 112.8 | K100 D138 V141 K142 | K100-E136 HydrophobicContact CD-CG 4.42Å; K100-E136 IonicContact NZ-OE1 3.96Å; K100-E136 PolarHBondContact NZ-OE1 3.02Å; K100-E136 IonicContact NZ-OE2 2.93Å; K100-E136 PolarHBondContact NZ-OE2 3.49Å; E136-D138 PolarHBondContact O-N 3.31Å; E136-V141 HydrophobicContact CB-CB 4.31Å; E136-V141 HydrophobicContact CB-CG1 4.09Å; E136-V141 HydrophobicContact CG-CG1 3.95Å; E136-K142 WeakPolarHBondContact O-CE 3.32Å; E136-K142 PolarHBondContact O-NZ 2.78Å |
| 137 | F | 93.7 | Very high | 96.9 | Very high | 207 Ų | 207 | 38.2 Ų | 38.2 | 91% | 0.908 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -72.2 | -15.7 | 177.3 | -66.9 | -74.6 | 0 | 0 | 0 | 114.7 | P139 | F137-P139 WeakPolarHBondContact O-CD 3.35Š|
| 138 | D | 95.6 | Very high | 96.9 | Very high | 14 Ų | 14 | 37.8 Ų | 37.8 | 8% | 0.075 | 20% | 0.2 | C | C | . | . | trans | -91.1 | 112.9 | -172.6 | -171.5 | -43.6 | 0 | 0 | 0 | 111.2 | R97 R101 E136 A140 V141 K142 | R97-D138 VanDerWaalsContact CD-OD2 3.28Å; R97-D138 WeakPolarHBondContact CD-OD2 3.48Å; R97-D138 IonicContact CZ-OD2 2.75Å; R97-D138 IonicContact NE-OD2 3.6Å; R97-D138 IonicContact NH1-OD2 2.61Å; R97-D138 PolarHBondContact NH1-OD2 2.98Å; R101-D138 IonicContact CZ-OD1 3.47Å; R101-D138 IonicContact CZ-OD2 3.62Å; R101-D138 IonicContact NE-OD1 2.64Å; R101-D138 PolarHBondContact NE-OD1 3.2Å; R101-D138 IonicContact NE-OD2 3.61Å; R101-D138 IonicContact NH2-OD1 2.84Å; R101-D138 PolarHBondContact NH2-OD1 3.16Å; R101-D138 IonicContact NH2-OD2 2.75Å; R101-D138 PolarHBondContact NH2-OD2 2.94Å; E136-D138 PolarHBondContact O-N 3.31Å; D138-A140 PolarHBondContact O-N 3.22Å; D138-A140 VanDerWaalsContact O-N 3.1Å; D138-A140 PolarHBondContact OD1-N 3.26Å; D138-V141 HydrophobicContact CB-CB 4.19Å; D138-V141 HydrophobicContact CB-CG2 3.78Å; D138-V141 WeakPolarHBondContact O-CB 3.12Å; D138-V141 PolarHBondContact O-N 3.43Å; D138-K142 PolarHBondContact O-N 3.3Å | ||
| 139 | P | 96.5 | Very high | 97.1 | Very high | 31 Ų | 31 | 32.8 Ų | 32.8 | 20% | 0.201 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.3 | -28.4 | -175 | -25.3 | 34.7 | 0 | 0 | 0 | 113.8 | F137 K142 E143 E180 L183 | F137-P139 WeakPolarHBondContact O-CD 3.35Å; P139-K142 PolarHBondContact O-N 3.29Å; P139-E143 VanDerWaalsContact O-CB 3.3Å; P139-E143 WeakPolarHBondContact O-CB 3.27Å; P139-E143 PolarHBondContact O-N 2.82Å; P139-E180 HydrophobicContact CB-CB 4.26Å; P139-E180 HydrophobicContact CB-CG 3.67Å; P139-E180 VanDerWaalsContact CG-CD 3.48Å; P139-E180 HydrophobicContact CG-CG 3.91Å; P139-L183 HydrophobicContact CB-CD2 4.36Å |
| 140 | A | 96.4 | Very high | 97.2 | Very high | 33 Ų | 33 | 32.5 Ų | 32.5 | 27% | 0.273 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -78.7 | -23.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R101 D138 G144 | R101-A140 VanDerWaalsContact CZ-CB 3.49Å; D138-A140 PolarHBondContact O-N 3.22Å; D138-A140 VanDerWaalsContact O-N 3.1Å; D138-A140 PolarHBondContact OD1-N 3.26Å; A140-G144 PolarHBondContact O-N 3.32Å; A140-G144 VanDerWaalsContact O-N 3.13Å |
| 141 | V | 96.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.6 | -48 | 167.3 | 177.6 | 0 | 0 | 0 | 0 | 109.2 | R97 K100 R101 C133 E136 D138 E143 G144 A145 | R97-V141 HydrophobicContact CB-CG2 3.87Å; R97-V141 WeakPolarHBondContact O-CG2 3.28Å; K100-V141 HydrophobicContact CB-CG1 3.93Å; K100-V141 HydrophobicContact CB-CG2 4.28Å; K100-V141 HydrophobicContact CD-CG1 4.16Å; R101-V141 HydrophobicContact CG-CG2 3.8Å; C133-V141 HydrophobicContact CB-CG1 3.89Å; E136-V141 HydrophobicContact CB-CB 4.31Å; E136-V141 HydrophobicContact CB-CG1 4.09Å; E136-V141 HydrophobicContact CG-CG1 3.95Å; D138-V141 HydrophobicContact CB-CB 4.19Å; D138-V141 HydrophobicContact CB-CG2 3.78Å; D138-V141 WeakPolarHBondContact O-CB 3.12Å; D138-V141 PolarHBondContact O-N 3.43Å; V141-E143 VanDerWaalsContact C-N 3.35Å; V141-E143 PolarHBondContact O-N 3.24Å; V141-G144 PolarHBondContact O-N 3.39Å; V141-A145 WeakPolarHBondContact O-CB 3.44Å; V141-A145 PolarHBondContact O-N 3.36Å |
| 142 | K | 98.4 | Very high | 97.3 | Very high | 23 Ų | 23 | 32.9 Ų | 32.9 | 10% | 0.1 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.9 | -45.4 | 175.1 | -59.7 | -174.3 | -177.2 | 178.9 | 0 | 112.3 | L134 E136 D138 P139 G144 A145 A146 E178 L183 | L134-K142 WeakPolarHBondContact O-CD 3.27Å; L134-K142 VanDerWaalsContact O-CE 3.23Å; L134-K142 WeakPolarHBondContact O-CE 3.41Å; E136-K142 WeakPolarHBondContact O-CE 3.32Å; E136-K142 PolarHBondContact O-NZ 2.78Å; D138-K142 PolarHBondContact O-N 3.3Å; P139-K142 PolarHBondContact O-N 3.29Å; K142-G144 PolarHBondContact O-N 3.22Å; K142-A145 PolarHBondContact O-N 3.39Å; K142-A146 VanDerWaalsContact O-CB 3.3Å; K142-A146 WeakPolarHBondContact O-CB 3.3Å; K142-A146 PolarHBondContact O-N 3.36Å; K142-E178 WeakPolarHBondContact CD-OE1 3.41Å; K142-E178 IonicContact NZ-OE1 3.47Å; K142-E178 PolarHBondContact NZ-OE1 3.49Å; K142-E178 IonicContact NZ-OE2 2.86Å; K142-E178 PolarHBondContact NZ-OE2 2.81Å; K142-L183 HydrophobicContact CB-CD1 3.62Å; K142-L183 HydrophobicContact CB-CD2 4.05Å; K142-L183 HydrophobicContact CD-CD2 3.86Å |
| 143 | E | 98.2 | Very high | 97.5 | Very high | 64 Ų | 64 | 29.7 Ų | 29.7 | 30% | 0.299 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -60.5 | -46.3 | 179.3 | -176.6 | -169.6 | 146.6 | 0 | 0 | 110.9 | P139 V141 A145 C147 S182 L183 A186 | P139-E143 VanDerWaalsContact O-CB 3.3Å; P139-E143 WeakPolarHBondContact O-CB 3.27Å; P139-E143 PolarHBondContact O-N 2.82Å; V141-E143 VanDerWaalsContact C-N 3.35Å; V141-E143 PolarHBondContact O-N 3.24Å; E143-A145 VanDerWaalsContact C-N 3.35Å; E143-A145 PolarHBondContact O-N 2.83Å; E143-C147 WeakPolarHBondContact O-CB 3.33Å; E143-C147 PolarHBondContact O-N 2.96Å; E143-C147 PolarHBondContact O-SG 2.78Å; E143-S182 WeakPolarHBondContact OE2-CB 3.3Å; E143-S182 PolarHBondContact OE2-OG 3.26Å; E143-L183 HydrophobicContact CB-CD1 4.25Å; E143-A186 HydrophobicContact CG-CB 4.02Å |
| 144 | G | 97.3 | Very high | 97.5 | Very high | 16 Ų | 16 | 32.5 Ų | 32.5 | 17% | 0.165 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.5 | -45.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | A140 V141 K142 A148 | A140-G144 PolarHBondContact O-N 3.32Å; A140-G144 VanDerWaalsContact O-N 3.13Å; V141-G144 PolarHBondContact O-N 3.39Å; K142-G144 PolarHBondContact O-N 3.22Å; G144-A148 PolarHBondContact O-N 3.24Å |
| 145 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.9 | -50.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L130 C133 L134 V141 K142 E143 C147 A148 I149 | L130-A145 HydrophobicContact CD2-CB 4.17Å; L130-A145 WeakPolarHBondContact O-CB 3.29Å; C133-A145 HydrophobicContact CB-CB 3.67Å; L134-A145 HydrophobicContact CD2-CB 3.92Å; L134-A145 HydrophobicContact CG-CB 4.34Å; V141-A145 WeakPolarHBondContact O-CB 3.44Å; V141-A145 PolarHBondContact O-N 3.36Å; K142-A145 PolarHBondContact O-N 3.39Å; E143-A145 VanDerWaalsContact C-N 3.35Å; E143-A145 PolarHBondContact O-N 2.83Å; A145-C147 VanDerWaalsContact C-N 3.3Å; A145-C147 PolarHBondContact O-N 3.15Å; A145-A148 PolarHBondContact O-N 2.81Å; A145-A148 VanDerWaalsContact O-N 3.08Å; A145-I149 VanDerWaalsContact O-CG1 3.3Å; A145-I149 WeakPolarHBondContact O-CG1 3.44Å; A145-I149 PolarHBondContact O-N 3.01Å |
| 146 | A | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.6 | -43.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L134 K142 I149 G150 L172 A186 T187 T190 | L134-A146 HydrophobicContact CD2-CB 4.01Å; K142-A146 VanDerWaalsContact O-CB 3.3Å; K142-A146 WeakPolarHBondContact O-CB 3.3Å; K142-A146 PolarHBondContact O-N 3.36Å; A146-I149 PolarHBondContact O-N 2.97Å; A146-G150 PolarHBondContact O-N 3.22Å; A146-L172 HydrophobicContact CB-CD2 3.89Å; A146-A186 HydrophobicContact CB-CB 4.17Å; A146-T187 HydrophobicContact CB-CG2 4.11Å; A146-T190 PolarHBondContact O-OG1 3.07Å |
| 147 | C | 98.6 | Very high | 97.9 | Very high | 25 Ų | 25 | 29 Ų | 29 | 17% | 0.169 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.1 | -40.5 | 175.9 | -74.5 | 0 | 0 | 0 | 0 | 113.1 | K108 E143 A145 C151 | K108-C147 HydrophobicContact CD-CB 3.82Å; K108-C147 HydrophobicContact CG-CB 4.29Å; E143-C147 WeakPolarHBondContact O-CB 3.33Å; E143-C147 PolarHBondContact O-N 2.96Å; E143-C147 PolarHBondContact O-SG 2.78Å; A145-C147 VanDerWaalsContact C-N 3.3Å; A145-C147 PolarHBondContact O-N 3.15Å; C147-C151 PolarHBondContact O-N 3.28Å; C147-C151 PolarHBondContact O-SG 3.31Å |
| 148 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.5 | -45.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L107 K108 L130 G144 A145 G150 C151 I152 | L107-A148 HydrophobicContact CB-CB 4.38Å; K108-A148 HydrophobicContact CB-CB 4.02Å; L130-A148 HydrophobicContact CD1-CB 3.96Å; L130-A148 HydrophobicContact CD2-CB 3.85Å; G144-A148 PolarHBondContact O-N 3.24Å; A145-A148 PolarHBondContact O-N 2.81Å; A145-A148 VanDerWaalsContact O-N 3.08Å; A148-G150 PolarHBondContact O-N 3.27Å; A148-C151 WeakPolarHBondContact O-CB 3.37Å; A148-C151 PolarHBondContact O-N 3.03Å; A148-C151 VanDerWaalsContact O-N 3.13Å; A148-I152 WeakPolarHBondContact O-CG1 3.37Å; A148-I152 PolarHBondContact O-N 3.4Å |
| 149 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.4 | -47.3 | 174.9 | -67.9 | 167.4 | 0 | 0 | 0 | 110.7 | L130 L134 A145 A146 C151 I152 A153 V163 A168 T190 | L130-I149 HydrophobicContact CB-CD1 4.05Å; L130-I149 HydrophobicContact CB-CG1 3.95Å; L130-I149 HydrophobicContact CD1-CG1 4.22Å; L134-I149 HydrophobicContact CD1-CD1 3.72Å; L134-I149 HydrophobicContact CD2-CD1 4.45Å; L134-I149 HydrophobicContact CG-CD1 4.17Å; A145-I149 VanDerWaalsContact O-CG1 3.3Å; A145-I149 WeakPolarHBondContact O-CG1 3.44Å; A145-I149 PolarHBondContact O-N 3.01Å; A146-I149 PolarHBondContact O-N 2.97Å; I149-C151 VanDerWaalsContact C-N 3.3Å; I149-C151 PolarHBondContact O-N 3.47Å; I149-I152 WeakPolarHBondContact O-CB 3.43Å; I149-I152 PolarHBondContact O-N 2.82Å; I149-I152 VanDerWaalsContact O-N 3.08Å; I149-A153 PolarHBondContact O-N 3.43Å; I149-V163 HydrophobicContact CG2-CB 4.3Å; I149-V163 HydrophobicContact CG2-CG1 3.36Å; I149-V163 HydrophobicContact CG2-CG2 3.87Å; I149-A168 HydrophobicContact CD1-CB 4.32Å; I149-T190 HydrophobicContact CB-CG2 4.33Å; I149-T190 HydrophobicContact CG2-CG2 3.79Å |
| 150 | G | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 23.5 Ų | 23.5 | 5% | 0.052 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.8 | -36.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A146 A148 I152 K154 T190 | A146-G150 PolarHBondContact O-N 3.22Å; A148-G150 PolarHBondContact O-N 3.27Å; G150-I152 VanDerWaalsContact C-N 3.29Å; G150-I152 PolarHBondContact O-N 3.2Å; G150-K154 WeakPolarHBondContact O-CB 3.18Å; G150-K154 PolarHBondContact O-N 3.48Å; G150-T190 WeakPolarHBondContact CA-OG1 3.27Å |
| 151 | C | 98.7 | Very high | 98.5 | Very high | 19 Ų | 19 | 25.1 Ų | 25.1 | 13% | 0.128 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -69.7 | -24 | 175.2 | -71 | 0 | 0 | 0 | 0 | 113.7 | K108 A111 K112 C147 A148 I149 K154 H155 | K108-C151 HydrophobicContact CG-CB 4.45Å; A111-C151 HydrophobicContact CB-CB 3.81Å; K112-C151 HydrophobicContact CB-CB 4.34Å; C147-C151 PolarHBondContact O-N 3.28Å; C147-C151 PolarHBondContact O-SG 3.31Å; A148-C151 WeakPolarHBondContact O-CB 3.37Å; A148-C151 PolarHBondContact O-N 3.03Å; A148-C151 VanDerWaalsContact O-N 3.13Å; I149-C151 VanDerWaalsContact C-N 3.3Å; I149-C151 PolarHBondContact O-N 3.47Å; C151-K154 WeakPolarHBondContact O-CG 3.45Å; C151-H155 PolarHBondContact O-CD2 3.45Å; C151-H155 PolarHBondContact O-NE2 3.36Å |
| 152 | I | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -77.8 | -54.6 | 171.8 | -66.5 | 165.4 | 0 | 0 | 0 | 109.1 | A111 I121 V122 L127 L130 A148 I149 G150 K154 L159 V163 | A111-I152 HydrophobicContact CB-CG1 3.8Å; I121-I152 HydrophobicContact CG2-CD1 3.8Å; V122-I152 HydrophobicContact CG2-CG2 3.78Å; L127-I152 HydrophobicContact CD2-CD1 3.7Å; L127-I152 HydrophobicContact CD2-CG2 4.43Å; L130-I152 HydrophobicContact CD1-CD1 4.09Å; A148-I152 WeakPolarHBondContact O-CG1 3.37Å; A148-I152 PolarHBondContact O-N 3.4Å; I149-I152 WeakPolarHBondContact O-CB 3.43Å; I149-I152 PolarHBondContact O-N 2.82Å; I149-I152 VanDerWaalsContact O-N 3.08Å; G150-I152 VanDerWaalsContact C-N 3.29Å; G150-I152 PolarHBondContact O-N 3.2Å; I152-K154 VanDerWaalsContact C-N 3.29Å; I152-K154 PolarHBondContact O-N 2.87Å; I152-L159 HydrophobicContact CG2-CB 4.26Å; I152-L159 HydrophobicContact CG2-CD2 4.17Å; I152-V163 HydrophobicContact CG2-CG2 4.27Å |
| 153 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.6 | -37.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113 | I149 H155 S160 V163 E193 I194 H197 | I149-A153 PolarHBondContact O-N 3.43Å; A153-H155 PolarHBondContact O-N 3.07Å; A153-S160 PolarHBondContact O-OG 3.24Å; A153-V163 HydrophobicContact CB-CG2 4.29Å; A153-E193 HydrophobicContact CB-CB 4.48Å; A153-I194 HydrophobicContact CB-CG1 3.72Å; A153-H197 PolarHBondContact O-NE2 2.97Å |
| 154 | K | 98.5 | Very high | 98.6 | Very high | 60 Ų | 60 | 23.2 Ų | 23.2 | 26% | 0.261 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -21 | -172.4 | 72.4 | 176.3 | -170.3 | 169.8 | 0 | 116 | K112 G150 C151 I152 E193 K196 H197 | K112-K154 WeakPolarHBondContact O-CE 3.35Å; K112-K154 PolarHBondContact O-NZ 3.08Å; G150-K154 WeakPolarHBondContact O-CB 3.18Å; G150-K154 PolarHBondContact O-N 3.48Å; C151-K154 WeakPolarHBondContact O-CG 3.45Å; I152-K154 VanDerWaalsContact C-N 3.29Å; I152-K154 PolarHBondContact O-N 2.87Å; K154-E193 WeakPolarHBondContact CA-OE2 3.45Å; K154-E193 HydrophobicContact CB-CB 4.13Å; K154-E193 HydrophobicContact CB-CG 3.99Å; K154-E193 WeakPolarHBondContact CB-OE2 3.37Å; K154-K196 VanDerWaalsContact O-CE 3.27Å; K154-K196 WeakPolarHBondContact O-CE 3.13Å; K154-K196 PolarHBondContact O-NZ 3.37Å; K154-H197 PolarHBondContact O-CE1 2.98Å |
| 155 | H | 98.5 | Very high | 98.7 | Very high | 56 Ų | 56 | 28.1 Ų | 28.1 | 26% | 0.259 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -35.8 | -167.3 | -68.7 | -74.7 | 0 | 0 | 0 | 114.4 | A111 S114 A115 S118 C151 A153 L159 | A111-H155 PolarHBondContact O-NE2 2.89Å; S114-H155 VanDerWaalsContact C-CE1 3.46Å; S114-H155 VanDerWaalsContact CA-CE1 3.46Å; S114-H155 WeakPolarHBondContact CA-CE1 3.4Å; S114-H155 PolarHBondContact N-CE1 2.89Å; S114-H155 PolarHBondContact O-NE2 3.12Å; A115-H155 HydrophobicContact CB-CB 3.98Å; S118-H155 PolarHBondContact OG-CD2 3.44Å; S118-H155 PolarHBondContact OG-NE2 2.89Å; C151-H155 PolarHBondContact O-CD2 3.45Å; C151-H155 PolarHBondContact O-NE2 3.36Å; A153-H155 PolarHBondContact O-N 3.07Å; H155-L159 HydrophobicContact CB-CD1 3.81Å |
| 156 | S | 98.6 | Very high | 98.7 | Very high | 25 Ų | 25 | 29.1 Ų | 29.1 | 18% | 0.175 | 16% | 0.161 | C | C | . | . | trans | -157.1 | 166.8 | -178.9 | 86.5 | 0 | 0 | 0 | 0 | 113 | E158 L159 S160 H197 | S156-E158 VanDerWaalsContact C-N 3.34Å; S156-E158 WeakPolarHBondContact CB-OE2 3.44Å; S156-E158 PolarHBondContact OG-N 3.14Å; S156-E158 PolarHBondContact OG-OE2 2.89Å; S156-L159 PolarHBondContact OG-N 2.9Å; S156-S160 WeakPolarHBondContact O-CB 3.49Å; S156-S160 PolarHBondContact O-N 3.48Å; S156-S160 VanDerWaalsContact O-N 3.09Å; S156-S160 PolarHBondContact O-OG 3.07Å; S156-S160 VanDerWaalsContact O-OG 3.05Å; S156-H197 PolarHBondContact O-NE2 3.13Å | ||
| 157 | A | 98.8 | Very high | 98.7 | Very high | 28 Ų | 28 | 30.8 Ų | 30.8 | 23% | 0.231 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.8 | -39.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S160 Q161 H197 T198 L201 | A157-S160 PolarHBondContact O-N 3.16Å; A157-Q161 WeakPolarHBondContact O-CB 3.49Å; A157-Q161 PolarHBondContact O-N 3.5Å; A157-H197 HydrophobicContact CB-CB 4.01Å; A157-T198 HydrophobicContact CB-CG2 3.85Å; A157-L201 HydrophobicContact CB-CD1 4.43Å |
| 158 | E | 98.8 | Very high | 98.7 | Very high | 134 Ų | 134 | 29.6 Ų | 29.6 | 63% | 0.626 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -66.2 | -43.5 | -179.2 | -55.4 | 73.6 | -159.9 | 0 | 0 | 111.4 | S156 S160 Q161 A162 | S156-E158 VanDerWaalsContact C-N 3.34Å; S156-E158 WeakPolarHBondContact CB-OE2 3.44Å; S156-E158 PolarHBondContact OG-N 3.14Å; S156-E158 PolarHBondContact OG-OE2 2.89Å; E158-S160 VanDerWaalsContact C-N 3.33Å; E158-Q161 WeakPolarHBondContact O-CB 3.38Å; E158-Q161 PolarHBondContact O-N 3.18Å; E158-A162 PolarHBondContact O-N 2.97Å |
| 159 | L | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.9 | -34.8 | 175.6 | -72.3 | 168.8 | 0 | 0 | 0 | 112 | A115 Q119 V122 I152 H155 S156 V163 | A115-L159 HydrophobicContact CB-CD1 4.15Å; Q119-L159 HydrophobicContact CB-CD2 4.33Å; V122-L159 HydrophobicContact CG2-CD2 3.93Å; I152-L159 HydrophobicContact CG2-CB 4.26Å; I152-L159 HydrophobicContact CG2-CD2 4.17Å; H155-L159 HydrophobicContact CB-CD1 3.81Å; S156-L159 PolarHBondContact OG-N 2.9Å; L159-V163 WeakPolarHBondContact O-CG2 3.34Å; L159-V163 PolarHBondContact O-N 3.45Å |
| 160 | S | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.7 | -39 | 172.1 | -66.7 | 0 | 0 | 0 | 0 | 111.8 | A153 S156 A157 E158 A162 V163 V164 H197 | A153-S160 PolarHBondContact O-OG 3.24Å; S156-S160 WeakPolarHBondContact O-CB 3.49Å; S156-S160 PolarHBondContact O-N 3.48Å; S156-S160 VanDerWaalsContact O-N 3.09Å; S156-S160 PolarHBondContact O-OG 3.07Å; S156-S160 VanDerWaalsContact O-OG 3.05Å; A157-S160 PolarHBondContact O-N 3.16Å; E158-S160 VanDerWaalsContact C-N 3.33Å; S160-A162 VanDerWaalsContact C-N 3.35Å; S160-V163 WeakPolarHBondContact O-CB 3.4Å; S160-V163 PolarHBondContact O-N 2.94Å; S160-V163 VanDerWaalsContact O-N 3.15Å; S160-V164 WeakPolarHBondContact O-CG2 3.44Å; S160-V164 PolarHBondContact O-N 3.16Å; S160-V164 VanDerWaalsContact O-N 3.07Å; S160-H197 PolarHBondContact OG-CD2 3.4Å; S160-H197 PolarHBondContact OG-NE2 3.43Å |
| 161 | Q | 98.8 | Very high | 98.7 | Very high | 67 Ų | 67 | 34.5 Ų | 34.5 | 31% | 0.313 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.8 | -42.8 | 175 | -171.7 | 60.2 | 51.5 | 0 | 0 | 110.9 | A157 E158 V163 V164 D165 L201 | A157-Q161 WeakPolarHBondContact O-CB 3.49Å; A157-Q161 PolarHBondContact O-N 3.5Å; E158-Q161 WeakPolarHBondContact O-CB 3.38Å; E158-Q161 PolarHBondContact O-N 3.18Å; Q161-V163 PolarHBondContact O-N 3.42Å; Q161-V164 CarbonylContact O-C 3.57Å; Q161-V164 WeakPolarHBondContact O-CA 3.45Å; Q161-V164 WeakPolarHBondContact O-CB 3.5Å; Q161-V164 PolarHBondContact O-N 3.37Å; Q161-D165 PolarHBondContact NE2-OD1 3.21Å; Q161-D165 PolarHBondContact O-N 3Å; Q161-L201 HydrophobicContact CB-CD2 4.38Å |
| 162 | A | 98.8 | Very high | 98.7 | Very high | 22 Ų | 22 | 33.6 Ų | 33.6 | 18% | 0.182 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58 | -35.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | V122 L127 E158 S160 D165 A166 | V122-A162 HydrophobicContact CG1-CB 4.17Å; L127-A162 HydrophobicContact CD1-CB 3.78Å; L127-A162 WeakPolarHBondContact CD1-O 3.29Å; E158-A162 PolarHBondContact O-N 2.97Å; S160-A162 VanDerWaalsContact C-N 3.35Å; A162-D165 PolarHBondContact O-N 2.94Å; A162-A166 WeakPolarHBondContact O-CB 3.41Å; A162-A166 PolarHBondContact O-N 3.05Å |
| 163 | V | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.4 | -38.3 | 173.4 | 169.1 | 0 | 0 | 0 | 0 | 111.9 | L127 I149 I152 A153 L159 S160 Q161 A168 I194 | L127-V163 HydrophobicContact CD1-CG2 4.15Å; L127-V163 HydrophobicContact CD2-CG2 3.76Å; I149-V163 HydrophobicContact CG2-CB 4.3Å; I149-V163 HydrophobicContact CG2-CG1 3.36Å; I149-V163 HydrophobicContact CG2-CG2 3.87Å; I152-V163 HydrophobicContact CG2-CG2 4.27Å; A153-V163 HydrophobicContact CB-CG2 4.29Å; L159-V163 WeakPolarHBondContact O-CG2 3.34Å; L159-V163 PolarHBondContact O-N 3.45Å; S160-V163 WeakPolarHBondContact O-CB 3.4Å; S160-V163 PolarHBondContact O-N 2.94Å; S160-V163 VanDerWaalsContact O-N 3.15Å; Q161-V163 PolarHBondContact O-N 3.42Å; V163-A168 HydrophobicContact CG1-CB 3.83Å; V163-A168 WeakPolarHBondContact O-CB 3.38Å; V163-A168 PolarHBondContact O-N 3.43Å; V163-I194 HydrophobicContact CG1-CD1 3.85Å; V163-I194 HydrophobicContact CG1-CG1 4.42Å |
| 164 | V | 98.7 | Very high | 98.7 | Very high | 28 Ų | 28 | 38.8 Ų | 38.8 | 17% | 0.17 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.8 | -47.3 | 174.1 | -179.8 | 0 | 0 | 0 | 0 | 110.8 | S160 Q161 A166 G167 I169 I194 L201 | S160-V164 WeakPolarHBondContact O-CG2 3.44Å; S160-V164 PolarHBondContact O-N 3.16Å; S160-V164 VanDerWaalsContact O-N 3.07Å; Q161-V164 CarbonylContact O-C 3.57Å; Q161-V164 WeakPolarHBondContact O-CA 3.45Å; Q161-V164 WeakPolarHBondContact O-CB 3.5Å; Q161-V164 PolarHBondContact O-N 3.37Å; V164-A166 PolarHBondContact O-N 3.07Å; V164-G167 PolarHBondContact O-N 3.2Å; V164-I169 HydrophobicContact CB-CD1 4.2Å; V164-I169 HydrophobicContact CG1-CD1 4.06Å; V164-I169 HydrophobicContact CG2-CD1 3.45Å; V164-I169 VanDerWaalsContact CG2-CD1 3.45Å; V164-I169 HydrophobicContact CG2-CG1 4.21Å; V164-I194 HydrophobicContact CG2-CG2 4.4Å; V164-L201 HydrophobicContact CG2-CD2 3.51Å |
| 165 | D | 98.6 | Very high | 98.7 | Very high | 118 Ų | 118 | 36 Ų | 36 | 63% | 0.631 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -63.5 | -31.8 | -178.5 | -62.3 | -16.9 | 0 | 0 | 0 | 112 | Q161 A162 G167 | Q161-D165 PolarHBondContact NE2-OD1 3.21Å; Q161-D165 PolarHBondContact O-N 3Å; A162-D165 PolarHBondContact O-N 2.94Å; D165-G167 PolarHBondContact O-N 3.46Å |
| 166 | A | 98.2 | Very high | 98.7 | Very high | 21 Ų | 21 | 33.4 Ų | 33.4 | 17% | 0.174 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -4.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L127 T131 A162 V164 | L127-A166 HydrophobicContact CB-CB 3.81Å; L127-A166 HydrophobicContact CD1-CB 4.42Å; T131-A166 WeakPolarHBondContact CG2-O 3.37Å; A162-A166 WeakPolarHBondContact O-CB 3.41Å; A162-A166 PolarHBondContact O-N 3.05Å; V164-A166 PolarHBondContact O-N 3.07Å |
| 167 | G | 98.3 | Very high | 98.6 | Very high | 35 Ų | 35 | 36.6 Ų | 36.6 | 36% | 0.361 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 20 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V164 D165 | V164-G167 PolarHBondContact O-N 3.2Å; D165-G167 PolarHBondContact O-N 3.46Å |
| 168 | A | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -73.4 | -28 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L134 I149 V163 L171 L172 | L134-A168 HydrophobicContact CD1-CB 4.41Å; I149-A168 HydrophobicContact CD1-CB 4.32Å; V163-A168 HydrophobicContact CG1-CB 3.83Å; V163-A168 WeakPolarHBondContact O-CB 3.38Å; V163-A168 PolarHBondContact O-N 3.43Å; A168-L171 PolarHBondContact O-N 3.32Å; A168-L172 HydrophobicContact CB-CD1 4.42Å; A168-L172 WeakPolarHBondContact O-CG 3.4Å; A168-L172 PolarHBondContact O-N 3.3Å |
| 169 | I | 98.8 | Very high | 98.5 | Very high | 6 Ų | 6 | 35.7 Ų | 35.7 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.3 | -54 | -172 | -68.5 | -179.1 | 0 | 0 | 0 | 112.5 | V164 L171 L172 V173 I194 V205 A208 | V164-I169 HydrophobicContact CB-CD1 4.2Å; V164-I169 HydrophobicContact CG1-CD1 4.06Å; V164-I169 HydrophobicContact CG2-CD1 3.45Å; V164-I169 VanDerWaalsContact CG2-CD1 3.45Å; V164-I169 HydrophobicContact CG2-CG1 4.21Å; I169-L171 PolarHBondContact O-N 3.28Å; I169-L172 WeakPolarHBondContact O-CB 3.3Å; I169-L172 PolarHBondContact O-N 2.91Å; I169-V173 HydrophobicContact CG2-CG2 4.41Å; I169-V173 WeakPolarHBondContact O-CG2 3.46Å; I169-V173 PolarHBondContact O-N 3.35Å; I169-I194 HydrophobicContact CD1-CG2 4.45Å; I169-I194 HydrophobicContact CG1-CD1 4.42Å; I169-V205 HydrophobicContact CD1-CG2 3.63Å; I169-V205 HydrophobicContact CG1-CG2 4.22Å; I169-V205 HydrophobicContact CG2-CG2 4.2Å; I169-A208 HydrophobicContact CG2-CB 3.4Å |
| 170 | P | 98.8 | Very high | 98.5 | Very high | 75 Ų | 75 | 38.8 Ų | 38.8 | 49% | 0.487 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -56.6 | -38.5 | -179.5 | -26.7 | 36 | 0 | 0 | 0 | 112.4 | V173 L174 | P170-V173 PolarHBondContact O-N 3.47Å; P170-L174 WeakPolarHBondContact O-CG 3.31Å; P170-L174 PolarHBondContact O-N 2.93Å |
| 171 | L | 98.7 | Very high | 98.5 | Very high | 28 Ų | 28 | 41.4 Ų | 41.4 | 15% | 0.147 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.3 | -39.5 | 177.5 | -59.6 | -178.3 | 0 | 0 | 0 | 112.1 | T131 L134 E135 A168 I169 V173 L174 C175 | T131-L171 HydrophobicContact CG2-CD1 3.5Å; T131-L171 VanDerWaalsContact O-CD1 3.3Å; T131-L171 WeakPolarHBondContact O-CD1 3.39Å; L134-L171 HydrophobicContact CB-CB 3.82Å; L134-L171 HydrophobicContact CB-CD1 4.03Å; L134-L171 HydrophobicContact CD1-CB 3.83Å; L134-L171 HydrophobicContact CD1-CD1 4.49Å; E135-L171 HydrophobicContact CG-CD1 3.64Å; E135-L171 HydrophobicContact CG-CD2 3.86Å; E135-L171 HydrophobicContact CG-CG 4.41Å; A168-L171 PolarHBondContact O-N 3.32Å; I169-L171 PolarHBondContact O-N 3.28Å; L171-V173 VanDerWaalsContact C-N 3.27Å; L171-V173 PolarHBondContact O-N 3.44Å; L171-L174 HydrophobicContact CD2-CD1 4.28Å; L171-L174 PolarHBondContact O-N 3.08Å; L171-C175 WeakPolarHBondContact O-CB 3.12Å; L171-C175 PolarHBondContact O-N 2.95Å; L171-C175 PolarHBondContact O-SG 2.73Å |
| 172 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.8 | -37.2 | 173.7 | -70.5 | 167.2 | 0 | 0 | 0 | 111.5 | L134 A146 A168 I169 C175 I176 T187 T190 L191 I194 | L134-L172 HydrophobicContact CD1-CD2 3.99Å; L134-L172 HydrophobicContact CD1-CG 3.99Å; L134-L172 HydrophobicContact CD2-CD2 4.23Å; A146-L172 HydrophobicContact CB-CD2 3.89Å; A168-L172 HydrophobicContact CB-CD1 4.42Å; A168-L172 WeakPolarHBondContact O-CG 3.4Å; A168-L172 PolarHBondContact O-N 3.3Å; I169-L172 WeakPolarHBondContact O-CB 3.3Å; I169-L172 PolarHBondContact O-N 2.91Å; L172-C175 PolarHBondContact O-N 3.22Å; L172-I176 PolarHBondContact O-N 3.42Å; L172-T187 HydrophobicContact CD2-CG2 4.17Å; L172-T190 HydrophobicContact CD1-CG2 3.62Å; L172-T190 HydrophobicContact CD2-CG2 4.06Å; L172-L191 HydrophobicContact CB-CD2 4.1Å; L172-L191 HydrophobicContact CD1-CD2 4.28Å; L172-I194 HydrophobicContact CD1-CD1 4Å |
| 173 | V | 98.7 | Very high | 98.4 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 3% | 0.03 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.8 | -30.7 | 175.2 | 178.9 | 0 | 0 | 0 | 0 | 112.2 | I169 P170 L171 I176 Q177 A208 A210 | I169-V173 HydrophobicContact CG2-CG2 4.41Å; I169-V173 WeakPolarHBondContact O-CG2 3.46Å; I169-V173 PolarHBondContact O-N 3.35Å; P170-V173 PolarHBondContact O-N 3.47Å; L171-V173 VanDerWaalsContact C-N 3.27Å; L171-V173 PolarHBondContact O-N 3.44Å; V173-I176 VanDerWaalsContact O-CG2 3.28Å; V173-I176 WeakPolarHBondContact O-CG2 3.36Å; V173-Q177 PolarHBondContact O-NE2 2.66Å; V173-A208 WeakPolarHBondContact CG1-O 3.35Å; V173-A208 HydrophobicContact CG2-CB 4.02Å; V173-A210 HydrophobicContact CG2-CB 3.75Å |
| 174 | L | 98.6 | Very high | 98.4 | Very high | 105 Ų | 105 | 41 Ų | 41 | 55% | 0.55 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.9 | -45.8 | 168.4 | -67.1 | 174.9 | 0 | 0 | 0 | 111 | P170 L171 I176 Q177 | P170-L174 WeakPolarHBondContact O-CG 3.31Å; P170-L174 PolarHBondContact O-N 2.93Å; L171-L174 HydrophobicContact CD2-CD1 4.28Å; L171-L174 PolarHBondContact O-N 3.08Å; L174-I176 VanDerWaalsContact C-N 3.28Å; L174-I176 PolarHBondContact O-N 3.26Å; L174-Q177 WeakPolarHBondContact O-CB 3.26Å; L174-Q177 PolarHBondContact O-N 2.97Å; L174-Q177 VanDerWaalsContact O-N 3.08Å |
| 175 | C | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.3 | -31.4 | -178.9 | -64.9 | 0 | 0 | 0 | 0 | 113.5 | L171 L172 Q177 E178 L183 T187 | L171-C175 WeakPolarHBondContact O-CB 3.12Å; L171-C175 PolarHBondContact O-N 2.95Å; L171-C175 PolarHBondContact O-SG 2.73Å; L172-C175 PolarHBondContact O-N 3.22Å; C175-Q177 PolarHBondContact O-N 2.95Å; C175-E178 WeakPolarHBondContact CA-OE1 3.33Å; C175-E178 PolarHBondContact O-N 3.13Å; C175-L183 HydrophobicContact CB-CD1 4.12Å; C175-L183 HydrophobicContact CB-CD2 4.2Å; C175-L183 HydrophobicContact CB-CG 4.19Å; C175-T187 HydrophobicContact CB-CG2 3.34Å |
| 176 | I | 98.1 | Very high | 98.4 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -18.1 | 178.7 | -155.2 | 174.9 | 0 | 0 | 0 | 113.1 | L172 V173 L174 K184 T187 A188 L191 H213 L214 L217 | L172-I176 PolarHBondContact O-N 3.42Å; V173-I176 VanDerWaalsContact O-CG2 3.28Å; V173-I176 WeakPolarHBondContact O-CG2 3.36Å; L174-I176 VanDerWaalsContact C-N 3.28Å; L174-I176 PolarHBondContact O-N 3.26Å; I176-K184 WeakPolarHBondContact O-CD 3.49Å; I176-K184 VanDerWaalsContact O-CE 3.28Å; I176-K184 WeakPolarHBondContact O-CE 3.12Å; I176-K184 WeakPolarHBondContact O-CG 3.47Å; I176-T187 WeakPolarHBondContact CA-OG1 3.18Å; I176-T187 WeakPolarHBondContact CB-OG1 3.38Å; I176-T187 WeakPolarHBondContact CG1-OG1 3.48Å; I176-A188 HydrophobicContact CD1-CB 4.02Å; I176-L191 HydrophobicContact CD1-CD1 4.31Å; I176-H213 HydrophobicContact CG2-CB 3.83Å; I176-L214 HydrophobicContact CD1-CD2 3.47Å; I176-L214 VanDerWaalsContact CD1-CD2 3.47Å; I176-L214 HydrophobicContact CD1-CG 4.1Å; I176-L217 HydrophobicContact CD1-CD1 3.91Å; I176-L217 HydrophobicContact CG1-CD1 3.75Å |
| 177 | Q | 97.7 | Very high | 98.4 | Very high | 92 Ų | 92 | 36.9 Ų | 36.9 | 43% | 0.43 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -21.3 | -179.3 | -61.8 | 175.6 | 65.3 | 0 | 0 | 112.4 | V173 L174 C175 H213 | V173-Q177 PolarHBondContact O-NE2 2.66Å; L174-Q177 WeakPolarHBondContact O-CB 3.26Å; L174-Q177 PolarHBondContact O-N 2.97Å; L174-Q177 VanDerWaalsContact O-N 3.08Å; C175-Q177 PolarHBondContact O-N 2.95Å; Q177-H213 HydrophobicContact CG-CB 4.46Å; Q177-H213 PolarHBondContact NE2-NE2 2.96Å; Q177-H213 PolarHBondContact OE1-CE1 3.3Å |
| 178 | E | 98 | Very high | 98.5 | Very high | 40 Ų | 40 | 35.2 Ų | 35.2 | 19% | 0.187 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -63.1 | 150.9 | -179.9 | -78.7 | 174.9 | -114.8 | 0 | 0 | 113.3 | K142 C175 E180 L183 K184 | K142-E178 WeakPolarHBondContact CD-OE1 3.41Å; K142-E178 IonicContact NZ-OE1 3.47Å; K142-E178 PolarHBondContact NZ-OE1 3.49Å; K142-E178 IonicContact NZ-OE2 2.86Å; K142-E178 PolarHBondContact NZ-OE2 2.81Å; C175-E178 WeakPolarHBondContact CA-OE1 3.33Å; C175-E178 PolarHBondContact O-N 3.13Å; E178-E180 VanDerWaalsContact C-N 3.28Å; E178-E180 PolarHBondContact O-N 3.29Å; E178-L183 HydrophobicContact CB-CD2 3.98Å; E178-L183 HydrophobicContact CG-CD2 4.47Å; E178-K184 WeakPolarHBondContact O-CE 3.23Å |
| 179 | P | 97.4 | Very high | 98.5 | Very high | 102 Ų | 102 | 37 Ų | 37 | 66% | 0.662 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -67.1 | -22.6 | -170.3 | 25.8 | -33.5 | 0 | 0 | 0 | 114.6 | I181 | P179-I181 PolarHBondContact O-N 3.39Š|
| 180 | E | 98.3 | Very high | 98.5 | Very high | 67 Ų | 67 | 36.8 Ų | 36.8 | 31% | 0.313 | 20% | 0.2 | S | C | . | . | trans | -70.1 | 111.5 | -175 | -68.1 | 73.1 | -160 | 0 | 0 | 112.4 | P139 E178 S182 L183 K184 | P139-E180 HydrophobicContact CB-CB 4.26Å; P139-E180 HydrophobicContact CB-CG 3.67Å; P139-E180 VanDerWaalsContact CG-CD 3.48Å; P139-E180 HydrophobicContact CG-CG 3.91Å; E178-E180 VanDerWaalsContact C-N 3.28Å; E178-E180 PolarHBondContact O-N 3.29Å; E180-S182 VanDerWaalsContact C-N 3.26Å; E180-S182 PolarHBondContact O-N 3.38Å; E180-L183 HydrophobicContact CB-CB 3.99Å; E180-L183 WeakPolarHBondContact O-CB 3.37Å; E180-L183 PolarHBondContact O-N 2.72Å; E180-L183 VanDerWaalsContact O-N 3.07Å; E180-K184 PolarHBondContact O-N 3.24Å | ||
| 181 | I | 98.2 | Very high | 98.5 | Very high | 56 Ų | 56 | 33.2 Ų | 33.2 | 29% | 0.287 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -58.5 | -35.5 | -180 | -62.8 | -61.4 | 0 | 0 | 0 | 112.6 | P179 K184 R185 D222 L225 | P179-I181 PolarHBondContact O-N 3.39Å; I181-K184 HydrophobicContact CD1-CD 4.5Å; I181-K184 PolarHBondContact O-N 3.36Å; I181-R185 HydrophobicContact CG2-CG 4.43Å; I181-R185 VanDerWaalsContact O-CG 3.27Å; I181-R185 WeakPolarHBondContact O-CG 3.25Å; I181-R185 PolarHBondContact O-N 2.87Å; I181-D222 HydrophobicContact CG2-CB 4.23Å; I181-L225 HydrophobicContact CD1-CD2 4.31Å |
| 182 | S | 97.9 | Very high | 98.5 | Very high | 47 Ų | 47 | 32.3 Ų | 32.3 | 33% | 0.329 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.9 | -40.7 | 177.2 | 62.2 | 0 | 0 | 0 | 0 | 111.9 | E143 E180 R185 A186 | E143-S182 WeakPolarHBondContact OE2-CB 3.3Å; E143-S182 PolarHBondContact OE2-OG 3.26Å; E180-S182 VanDerWaalsContact C-N 3.26Å; E180-S182 PolarHBondContact O-N 3.38Å; S182-R185 PolarHBondContact O-N 3.46Å; S182-A186 PolarHBondContact O-N 3.43Å |
| 183 | L | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.5 | -47.1 | 174.6 | -179.4 | 57.1 | 0 | 0 | 0 | 110.8 | P139 K142 E143 C175 E178 E180 R185 A186 T187 | P139-L183 HydrophobicContact CB-CD2 4.36Å; K142-L183 HydrophobicContact CB-CD1 3.62Å; K142-L183 HydrophobicContact CB-CD2 4.05Å; K142-L183 HydrophobicContact CD-CD2 3.86Å; E143-L183 HydrophobicContact CB-CD1 4.25Å; C175-L183 HydrophobicContact CB-CD1 4.12Å; C175-L183 HydrophobicContact CB-CD2 4.2Å; C175-L183 HydrophobicContact CB-CG 4.19Å; E178-L183 HydrophobicContact CB-CD2 3.98Å; E178-L183 HydrophobicContact CG-CD2 4.47Å; E180-L183 HydrophobicContact CB-CB 3.99Å; E180-L183 WeakPolarHBondContact O-CB 3.37Å; E180-L183 PolarHBondContact O-N 2.72Å; E180-L183 VanDerWaalsContact O-N 3.07Å; L183-R185 VanDerWaalsContact C-N 3.28Å; L183-R185 PolarHBondContact O-N 3.1Å; L183-A186 PolarHBondContact O-N 3.34Å; L183-A186 VanDerWaalsContact O-N 3.12Å; L183-T187 HydrophobicContact CD1-CG2 3.88Å; L183-T187 HydrophobicContact CG-CG2 4.31Å; L183-T187 WeakPolarHBondContact O-CG2 3.16Å; L183-T187 PolarHBondContact O-N 3.34Å; L183-T187 PolarHBondContact O-OG1 2.75Å; L183-T187 VanDerWaalsContact O-OG1 3.08Å |
| 184 | K | 98.7 | Very high | 98.5 | Very high | 32 Ų | 32 | 34.3 Ų | 34.3 | 14% | 0.139 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55.8 | -41.8 | 175.1 | -62.8 | -162.1 | -179.4 | -164.3 | 0 | 112.8 | I176 E178 E180 I181 T187 A188 L217 L225 | I176-K184 WeakPolarHBondContact O-CD 3.49Å; I176-K184 VanDerWaalsContact O-CE 3.28Å; I176-K184 WeakPolarHBondContact O-CE 3.12Å; I176-K184 WeakPolarHBondContact O-CG 3.47Å; E178-K184 WeakPolarHBondContact O-CE 3.23Å; E180-K184 PolarHBondContact O-N 3.24Å; I181-K184 HydrophobicContact CD1-CD 4.5Å; I181-K184 PolarHBondContact O-N 3.36Å; K184-T187 WeakPolarHBondContact CA-OG1 3.5Å; K184-T187 PolarHBondContact O-OG1 3.39Å; K184-T187 VanDerWaalsContact O-OG1 3.08Å; K184-A188 WeakPolarHBondContact O-CB 3.24Å; K184-A188 PolarHBondContact O-N 3.36Å; K184-L217 HydrophobicContact CD-CD1 4.15Å; K184-L217 HydrophobicContact CD-CD2 3.89Å; K184-L225 HydrophobicContact CB-CD1 3.71Å; K184-L225 HydrophobicContact CB-CD2 4.09Å; K184-L225 HydrophobicContact CD-CD2 4.13Å |
| 185 | R | 98.7 | Very high | 98.5 | Very high | 73 Ų | 73 | 29.3 Ų | 29.3 | 28% | 0.275 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -64.2 | -45.7 | 177.1 | -72.8 | 168.4 | -176.9 | 175.6 | 2.2 | 111.1 | I181 S182 L183 C189 D222 L225 | I181-R185 HydrophobicContact CG2-CG 4.43Å; I181-R185 VanDerWaalsContact O-CG 3.27Å; I181-R185 WeakPolarHBondContact O-CG 3.25Å; I181-R185 PolarHBondContact O-N 2.87Å; S182-R185 PolarHBondContact O-N 3.46Å; L183-R185 VanDerWaalsContact C-N 3.28Å; L183-R185 PolarHBondContact O-N 3.1Å; R185-C189 WeakPolarHBondContact O-CB 3.23Å; R185-C189 PolarHBondContact O-N 3.42Å; R185-D222 IonicContact CZ-OD1 3.23Å; R185-D222 VanDerWaalsContact CZ-OD1 3.23Å; R185-D222 IonicContact CZ-OD2 3.12Å; R185-D222 IonicContact NE-OD1 3.2Å; R185-D222 PolarHBondContact NE-OD1 2.89Å; R185-D222 IonicContact NE-OD2 3.5Å; R185-D222 IonicContact NH2-OD1 3.97Å; R185-D222 PolarHBondContact NH2-OD1 2.79Å; R185-D222 IonicContact NH2-OD2 2.71Å; R185-D222 PolarHBondContact NH2-OD2 3.24Å; R185-L225 HydrophobicContact CG-CB 3.94Å; R185-L225 HydrophobicContact CG-CD1 4.2Å |
| 186 | A | 98.7 | Very high | 98.5 | Very high | 9 Ų | 9 | 32.4 Ų | 32.4 | 7% | 0.074 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63 | -45.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E143 A146 S182 L183 C189 T190 | E143-A186 HydrophobicContact CG-CB 4.02Å; A146-A186 HydrophobicContact CB-CB 4.17Å; S182-A186 PolarHBondContact O-N 3.43Å; L183-A186 PolarHBondContact O-N 3.34Å; L183-A186 VanDerWaalsContact O-N 3.12Å; A186-C189 WeakPolarHBondContact O-CB 3.48Å; A186-C189 PolarHBondContact O-N 2.93Å; A186-T190 WeakPolarHBondContact O-CB 3.33Å; A186-T190 PolarHBondContact O-N 3.3Å; A186-T190 PolarHBondContact O-OG1 3.1Å |
| 187 | T | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.4 | -46.4 | -179.2 | 55.8 | 0 | 0 | 0 | 0 | 111.8 | A146 L172 C175 I176 L183 K184 C189 T190 L191 | A146-T187 HydrophobicContact CB-CG2 4.11Å; L172-T187 HydrophobicContact CD2-CG2 4.17Å; C175-T187 HydrophobicContact CB-CG2 3.34Å; I176-T187 WeakPolarHBondContact CA-OG1 3.18Å; I176-T187 WeakPolarHBondContact CB-OG1 3.38Å; I176-T187 WeakPolarHBondContact CG1-OG1 3.48Å; L183-T187 HydrophobicContact CD1-CG2 3.88Å; L183-T187 HydrophobicContact CG-CG2 4.31Å; L183-T187 WeakPolarHBondContact O-CG2 3.16Å; L183-T187 PolarHBondContact O-N 3.34Å; L183-T187 PolarHBondContact O-OG1 2.75Å; L183-T187 VanDerWaalsContact O-OG1 3.08Å; K184-T187 WeakPolarHBondContact CA-OG1 3.5Å; K184-T187 PolarHBondContact O-OG1 3.39Å; K184-T187 VanDerWaalsContact O-OG1 3.08Å; T187-C189 VanDerWaalsContact C-N 3.29Å; T187-C189 PolarHBondContact O-N 3.3Å; T187-T190 PolarHBondContact O-N 3.17Å; T187-T190 VanDerWaalsContact O-N 3.16Å; T187-L191 WeakPolarHBondContact O-CG 3.42Å; T187-L191 PolarHBondContact O-N 3.16Å |
| 188 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.3 | -39.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I176 K184 L191 A192 L214 L225 Q228 V229 | I176-A188 HydrophobicContact CD1-CB 4.02Å; K184-A188 WeakPolarHBondContact O-CB 3.24Å; K184-A188 PolarHBondContact O-N 3.36Å; A188-L191 PolarHBondContact O-N 3.29Å; A188-A192 PolarHBondContact O-N 2.86Å; A188-L214 HydrophobicContact CB-CD2 4.21Å; A188-L225 HydrophobicContact CB-CD1 4.36Å; A188-Q228 HydrophobicContact CB-CB 3.69Å; A188-V229 HydrophobicContact CB-CG2 4.45Å |
| 189 | C | 98.8 | Very high | 98.6 | Very high | 37 Ų | 37 | 32.6 Ų | 32.6 | 25% | 0.25 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.7 | -50.3 | 173.4 | -176.7 | 0 | 0 | 0 | 0 | 110.5 | R185 A186 T187 L191 A192 E193 Q228 | R185-C189 WeakPolarHBondContact O-CB 3.23Å; R185-C189 PolarHBondContact O-N 3.42Å; A186-C189 WeakPolarHBondContact O-CB 3.48Å; A186-C189 PolarHBondContact O-N 2.93Å; T187-C189 VanDerWaalsContact C-N 3.29Å; T187-C189 PolarHBondContact O-N 3.3Å; C189-L191 VanDerWaalsContact C-N 3.33Å; C189-L191 PolarHBondContact O-N 2.76Å; C189-A192 WeakPolarHBondContact O-CA 3.43Å; C189-A192 WeakPolarHBondContact O-CB 3.49Å; C189-A192 PolarHBondContact O-N 2.91Å; C189-E193 WeakPolarHBondContact O-CG 3.4Å; C189-E193 PolarHBondContact O-N 2.79Å; C189-Q228 HydrophobicContact CB-CB 4.41Å; C189-Q228 HydrophobicContact CB-CG 4.03Å |
| 190 | T | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.3 | -41 | 179.2 | -63.2 | 0 | 0 | 0 | 0 | 112.4 | A146 I149 G150 L172 A186 T187 A192 E193 I194 | A146-T190 PolarHBondContact O-OG1 3.07Å; I149-T190 HydrophobicContact CB-CG2 4.33Å; I149-T190 HydrophobicContact CG2-CG2 3.79Å; G150-T190 WeakPolarHBondContact CA-OG1 3.27Å; L172-T190 HydrophobicContact CD1-CG2 3.62Å; L172-T190 HydrophobicContact CD2-CG2 4.06Å; A186-T190 WeakPolarHBondContact O-CB 3.33Å; A186-T190 PolarHBondContact O-N 3.3Å; A186-T190 PolarHBondContact O-OG1 3.1Å; T187-T190 PolarHBondContact O-N 3.17Å; T187-T190 VanDerWaalsContact O-N 3.16Å; T190-A192 VanDerWaalsContact C-N 3.34Å; T190-A192 PolarHBondContact O-N 3.43Å; T190-E193 PolarHBondContact O-N 3.31Å; T190-I194 HydrophobicContact CG2-CD1 4.04Å; T190-I194 WeakPolarHBondContact O-CG1 3.48Å; T190-I194 PolarHBondContact O-N 3Å |
| 191 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.2 | -39.5 | 173.9 | -65.9 | 176.3 | 0 | 0 | 0 | 111.7 | L172 I176 T187 A188 C189 E193 I194 T195 V205 A210 | L172-L191 HydrophobicContact CB-CD2 4.1Å; L172-L191 HydrophobicContact CD1-CD2 4.28Å; I176-L191 HydrophobicContact CD1-CD1 4.31Å; T187-L191 WeakPolarHBondContact O-CG 3.42Å; T187-L191 PolarHBondContact O-N 3.16Å; A188-L191 PolarHBondContact O-N 3.29Å; C189-L191 VanDerWaalsContact C-N 3.33Å; C189-L191 PolarHBondContact O-N 2.76Å; L191-E193 VanDerWaalsContact C-N 3.34Å; L191-E193 PolarHBondContact O-N 3.02Å; L191-I194 PolarHBondContact O-N 3.24Å; L191-T195 WeakPolarHBondContact O-CB 3.45Å; L191-T195 WeakPolarHBondContact O-CG2 3.26Å; L191-T195 PolarHBondContact O-N 3.15Å; L191-T195 PolarHBondContact O-OG1 3.05Å; L191-V205 HydrophobicContact CD2-CG1 3.94Å; L191-V205 HydrophobicContact CD2-CG2 4.05Å; L191-A210 HydrophobicContact CD1-CB 4.24Å |
| 192 | A | 98.8 | Very high | 98.7 | Very high | 8 Ų | 8 | 27.6 Ų | 27.6 | 7% | 0.066 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.7 | -40.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A188 C189 T190 I194 T195 K196 A231 A232 | A188-A192 PolarHBondContact O-N 2.86Å; C189-A192 WeakPolarHBondContact O-CA 3.43Å; C189-A192 WeakPolarHBondContact O-CB 3.49Å; C189-A192 PolarHBondContact O-N 2.91Å; T190-A192 VanDerWaalsContact C-N 3.34Å; T190-A192 PolarHBondContact O-N 3.43Å; A192-I194 VanDerWaalsContact C-N 3.33Å; A192-I194 PolarHBondContact O-N 3.14Å; A192-T195 WeakPolarHBondContact CA-OG1 3.44Å; A192-T195 PolarHBondContact O-OG1 3.24Å; A192-K196 WeakPolarHBondContact O-CB 3.49Å; A192-K196 PolarHBondContact O-N 3.39Å; A192-K196 VanDerWaalsContact O-N 3.16Å; A192-A231 HydrophobicContact CB-CB 4.01Å; A192-A232 HydrophobicContact CB-CB 3.98Å |
| 193 | E | 98.8 | Very high | 98.7 | Very high | 47 Ų | 47 | 28.5 Ų | 28.5 | 22% | 0.22 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.9 | -31.2 | 178.3 | -65.5 | -60.9 | 170.2 | 0 | 0 | 113.2 | A153 K154 C189 T190 L191 K196 H197 | A153-E193 HydrophobicContact CB-CB 4.48Å; K154-E193 WeakPolarHBondContact CA-OE2 3.45Å; K154-E193 HydrophobicContact CB-CB 4.13Å; K154-E193 HydrophobicContact CB-CG 3.99Å; K154-E193 WeakPolarHBondContact CB-OE2 3.37Å; C189-E193 WeakPolarHBondContact O-CG 3.4Å; C189-E193 PolarHBondContact O-N 2.79Å; T190-E193 PolarHBondContact O-N 3.31Å; L191-E193 VanDerWaalsContact C-N 3.34Å; L191-E193 PolarHBondContact O-N 3.02Å; E193-K196 WeakPolarHBondContact O-CE 3.49Å; E193-K196 WeakPolarHBondContact O-CG 3.44Å; E193-K196 WeakPolarHBondContact OE2-CE 3.37Å; E193-K196 IonicContact OE2-NZ 2.88Å; E193-K196 PolarHBondContact OE2-NZ 3.37Å; E193-H197 PolarHBondContact O-CD2 2.92Å; E193-H197 PolarHBondContact O-NE2 3.26Å; E193-H197 VanDerWaalsContact O-NE2 3.13Å |
| 194 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -76.1 | -54.2 | 174.3 | -66.7 | 163.9 | 0 | 0 | 0 | 110.5 | A153 V163 V164 I169 L172 T190 L191 A192 K196 H197 L201 V205 | A153-I194 HydrophobicContact CB-CG1 3.72Å; V163-I194 HydrophobicContact CG1-CD1 3.85Å; V163-I194 HydrophobicContact CG1-CG1 4.42Å; V164-I194 HydrophobicContact CG2-CG2 4.4Å; I169-I194 HydrophobicContact CD1-CG2 4.45Å; I169-I194 HydrophobicContact CG1-CD1 4.42Å; L172-I194 HydrophobicContact CD1-CD1 4Å; T190-I194 HydrophobicContact CG2-CD1 4.04Å; T190-I194 WeakPolarHBondContact O-CG1 3.48Å; T190-I194 PolarHBondContact O-N 3Å; L191-I194 PolarHBondContact O-N 3.24Å; A192-I194 VanDerWaalsContact C-N 3.33Å; A192-I194 PolarHBondContact O-N 3.14Å; I194-K196 PolarHBondContact O-N 3.29Å; I194-K196 VanDerWaalsContact O-N 3.15Å; I194-H197 PolarHBondContact O-N 3.41Å; I194-L201 HydrophobicContact CG2-CB 4.23Å; I194-L201 HydrophobicContact CG2-CD2 4.36Å; I194-V205 HydrophobicContact CG2-CG2 3.98Å |
| 195 | T | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.1 | -21 | -172.7 | 54.6 | 0 | 0 | 0 | 0 | 113 | L191 A192 H197 A202 V205 T235 I236 H239 | L191-T195 WeakPolarHBondContact O-CB 3.45Å; L191-T195 WeakPolarHBondContact O-CG2 3.26Å; L191-T195 PolarHBondContact O-N 3.15Å; L191-T195 PolarHBondContact O-OG1 3.05Å; A192-T195 WeakPolarHBondContact CA-OG1 3.44Å; A192-T195 PolarHBondContact O-OG1 3.24Å; T195-H197 VanDerWaalsContact C-N 3.25Å; T195-H197 PolarHBondContact O-N 2.79Å; T195-A202 HydrophobicContact CG2-CB 4.48Å; T195-V205 HydrophobicContact CG2-CB 3.73Å; T195-V205 HydrophobicContact CG2-CG1 3.79Å; T195-V205 HydrophobicContact CG2-CG2 3.73Å; T195-T235 WeakPolarHBondContact OG1-CB 3.47Å; T195-T235 PolarHBondContact OG1-OG1 2.79Å; T195-I236 HydrophobicContact CG2-CD1 4.16Å; T195-I236 HydrophobicContact CG2-CG1 3.58Å; T195-H239 PolarHBondContact O-NE2 2.71Å |
| 196 | K | 98.4 | Very high | 98.8 | Very high | 67 Ų | 67 | 26.1 Ų | 26.1 | 29% | 0.291 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -12.7 | -177.8 | 75.5 | -176.4 | -175.8 | 174.6 | 0 | 114.8 | K154 A192 E193 I194 T235 K238 | K154-K196 VanDerWaalsContact O-CE 3.27Å; K154-K196 WeakPolarHBondContact O-CE 3.13Å; K154-K196 PolarHBondContact O-NZ 3.37Å; A192-K196 WeakPolarHBondContact O-CB 3.49Å; A192-K196 PolarHBondContact O-N 3.39Å; A192-K196 VanDerWaalsContact O-N 3.16Å; E193-K196 WeakPolarHBondContact O-CE 3.49Å; E193-K196 WeakPolarHBondContact O-CG 3.44Å; E193-K196 WeakPolarHBondContact OE2-CE 3.37Å; E193-K196 IonicContact OE2-NZ 2.88Å; E193-K196 PolarHBondContact OE2-NZ 3.37Å; I194-K196 PolarHBondContact O-N 3.29Å; I194-K196 VanDerWaalsContact O-N 3.15Å; K196-T235 HydrophobicContact CB-CG2 3.69Å; K196-K238 WeakPolarHBondContact O-CE 3.05Å; K196-K238 PolarHBondContact O-NZ 3.11Å |
| 197 | H | 98.6 | Very high | 98.7 | Very high | 51 Ų | 51 | 31.2 Ų | 31.2 | 24% | 0.236 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -90 | -56 | -170.4 | -65.1 | -74.8 | 0 | 0 | 0 | 113.7 | A153 K154 S156 A157 S160 E193 I194 T195 L201 | A153-H197 PolarHBondContact O-NE2 2.97Å; K154-H197 PolarHBondContact O-CE1 2.98Å; S156-H197 PolarHBondContact O-NE2 3.13Å; A157-H197 HydrophobicContact CB-CB 4.01Å; S160-H197 PolarHBondContact OG-CD2 3.4Å; S160-H197 PolarHBondContact OG-NE2 3.43Å; E193-H197 PolarHBondContact O-CD2 2.92Å; E193-H197 PolarHBondContact O-NE2 3.26Å; E193-H197 VanDerWaalsContact O-NE2 3.13Å; I194-H197 PolarHBondContact O-N 3.41Å; T195-H197 VanDerWaalsContact C-N 3.25Å; T195-H197 PolarHBondContact O-N 2.79Å; H197-L201 HydrophobicContact CB-CD1 3.71Å |
| 198 | T | 98.6 | Very high | 98.7 | Very high | 45 Ų | 45 | 32.9 Ų | 32.9 | 28% | 0.276 | 19% | 0.186 | S | C | . | . | trans | -139.5 | 163.2 | -176 | 69.7 | 0 | 0 | 0 | 0 | 112.1 | A157 L201 A202 H239 | A157-T198 HydrophobicContact CB-CG2 3.85Å; T198-L201 HydrophobicContact CG2-CD1 4.35Å; T198-L201 PolarHBondContact O-N 3.09Å; T198-L201 WeakPolarHBondContact OG1-CB 3.34Å; T198-L201 WeakPolarHBondContact OG1-CD1 3.42Å; T198-L201 VanDerWaalsContact OG1-CG 3.26Å; T198-L201 WeakPolarHBondContact OG1-CG 3.49Å; T198-L201 PolarHBondContact OG1-N 3.18Å; T198-A202 PolarHBondContact O-N 2.78Å; T198-A202 VanDerWaalsContact O-N 3.11Å; T198-H239 PolarHBondContact O-NE2 3.11Å | ||
| 199 | A | 98.6 | Very high | 98.7 | Very high | 41 Ų | 41 | 34.5 Ų | 34.5 | 34% | 0.339 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.7 | -41 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L201 A202 Q203 H239 | A199-L201 VanDerWaalsContact C-N 3.34Å; A199-L201 PolarHBondContact O-N 3.44Å; A199-A202 CarbonylContact O-C 3.59Å; A199-A202 WeakPolarHBondContact O-CB 3.41Å; A199-A202 PolarHBondContact O-N 3.29Å; A199-A202 VanDerWaalsContact O-N 3.17Å; A199-Q203 WeakPolarHBondContact O-CB 3.44Å; A199-Q203 PolarHBondContact O-N 3.03Å; A199-H239 HydrophobicContact CB-CB 3.98Å |
| 200 | D | 98.7 | Very high | 98.7 | Very high | 119 Ų | 119 | 32.8 Ų | 32.8 | 64% | 0.636 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -63.8 | -38.5 | 179.8 | -57.3 | -30.2 | 0 | 0 | 0 | 112.3 | Q203 S204 | D200-Q203 PolarHBondContact O-N 3.14Å; D200-S204 PolarHBondContact O-N 2.67Å; D200-S204 PolarHBondContact O-OG 2.92Å |
| 201 | L | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.6 | -38.7 | 174.9 | -70.5 | 169.5 | 0 | 0 | 0 | 111.5 | A157 Q161 V164 I194 H197 T198 A199 V205 | A157-L201 HydrophobicContact CB-CD1 4.43Å; Q161-L201 HydrophobicContact CB-CD2 4.38Å; V164-L201 HydrophobicContact CG2-CD2 3.51Å; I194-L201 HydrophobicContact CG2-CB 4.23Å; I194-L201 HydrophobicContact CG2-CD2 4.36Å; H197-L201 HydrophobicContact CB-CD1 3.71Å; T198-L201 HydrophobicContact CG2-CD1 4.35Å; T198-L201 PolarHBondContact O-N 3.09Å; T198-L201 WeakPolarHBondContact OG1-CB 3.34Å; T198-L201 WeakPolarHBondContact OG1-CD1 3.42Å; T198-L201 VanDerWaalsContact OG1-CG 3.26Å; T198-L201 WeakPolarHBondContact OG1-CG 3.49Å; T198-L201 PolarHBondContact OG1-N 3.18Å; A199-L201 VanDerWaalsContact C-N 3.34Å; A199-L201 PolarHBondContact O-N 3.44Å; L201-V205 PolarHBondContact O-N 3Å |
| 202 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64 | -44.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T195 T198 A199 S204 V205 V206 L243 | T195-A202 HydrophobicContact CG2-CB 4.48Å; T198-A202 PolarHBondContact O-N 2.78Å; T198-A202 VanDerWaalsContact O-N 3.11Å; A199-A202 CarbonylContact O-C 3.59Å; A199-A202 WeakPolarHBondContact O-CB 3.41Å; A199-A202 PolarHBondContact O-N 3.29Å; A199-A202 VanDerWaalsContact O-N 3.17Å; A202-S204 VanDerWaalsContact C-N 3.34Å; A202-S204 PolarHBondContact O-N 3.27Å; A202-V205 PolarHBondContact O-N 3.13Å; A202-V205 VanDerWaalsContact O-N 3.14Å; A202-V206 WeakPolarHBondContact O-CG2 3.45Å; A202-V206 PolarHBondContact O-N 3.06Å; A202-L243 HydrophobicContact CB-CD1 3.87Å |
| 203 | Q | 98.7 | Very high | 98.6 | Very high | 66 Ų | 66 | 37.7 Ų | 37.7 | 31% | 0.308 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.9 | -44.6 | 176.7 | -169.4 | 61.9 | 51.7 | 0 | 0 | 111.3 | A199 D200 V205 V206 D207 | A199-Q203 WeakPolarHBondContact O-CB 3.44Å; A199-Q203 PolarHBondContact O-N 3.03Å; D200-Q203 PolarHBondContact O-N 3.14Å; Q203-V205 VanDerWaalsContact C-N 3.25Å; Q203-V205 PolarHBondContact O-N 3.2Å; Q203-V206 CarbonylContact O-C 3.58Å; Q203-V206 WeakPolarHBondContact O-CA 3.47Å; Q203-V206 WeakPolarHBondContact O-CB 3.49Å; Q203-V206 PolarHBondContact O-N 2.8Å; Q203-D207 PolarHBondContact NE2-OD1 3.37Å; Q203-D207 WeakPolarHBondContact O-CB 3.49Å; Q203-D207 PolarHBondContact O-N 3.48Å |
| 204 | S | 98.8 | Very high | 98.6 | Very high | 35 Ų | 35 | 35.4 Ų | 35.4 | 25% | 0.245 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.8 | -37.1 | 176.9 | -58.6 | 0 | 0 | 0 | 0 | 112.8 | D200 A202 A208 | D200-S204 PolarHBondContact O-N 2.67Å; D200-S204 PolarHBondContact O-OG 2.92Å; A202-S204 VanDerWaalsContact C-N 3.34Å; A202-S204 PolarHBondContact O-N 3.27Å; S204-A208 PolarHBondContact O-N 3.46Å |
| 205 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -72.1 | -37.4 | 175.7 | 169 | 0 | 0 | 0 | 0 | 111.8 | I169 L191 I194 T195 L201 A202 Q203 A210 I236 | I169-V205 HydrophobicContact CD1-CG2 3.63Å; I169-V205 HydrophobicContact CG1-CG2 4.22Å; I169-V205 HydrophobicContact CG2-CG2 4.2Å; L191-V205 HydrophobicContact CD2-CG1 3.94Å; L191-V205 HydrophobicContact CD2-CG2 4.05Å; I194-V205 HydrophobicContact CG2-CG2 3.98Å; T195-V205 HydrophobicContact CG2-CB 3.73Å; T195-V205 HydrophobicContact CG2-CG1 3.79Å; T195-V205 HydrophobicContact CG2-CG2 3.73Å; L201-V205 PolarHBondContact O-N 3Å; A202-V205 PolarHBondContact O-N 3.13Å; A202-V205 VanDerWaalsContact O-N 3.14Å; Q203-V205 VanDerWaalsContact C-N 3.25Å; Q203-V205 PolarHBondContact O-N 3.2Å; V205-A210 HydrophobicContact CG1-CB 3.5Å; V205-A210 WeakPolarHBondContact O-CB 3.39Å; V205-A210 PolarHBondContact O-N 3.2Å; V205-I236 HydrophobicContact CG1-CD1 4.39Å |
| 206 | V | 98.7 | Very high | 98.5 | Very high | 20 Ų | 20 | 42.4 Ų | 42.4 | 12% | 0.121 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.6 | -44.2 | 176.6 | 172.3 | 0 | 0 | 0 | 0 | 111.7 | A202 Q203 A208 G209 I211 I236 L243 L246 | A202-V206 WeakPolarHBondContact O-CG2 3.45Å; A202-V206 PolarHBondContact O-N 3.06Å; Q203-V206 CarbonylContact O-C 3.58Å; Q203-V206 WeakPolarHBondContact O-CA 3.47Å; Q203-V206 WeakPolarHBondContact O-CB 3.49Å; Q203-V206 PolarHBondContact O-N 2.8Å; V206-A208 PolarHBondContact O-N 2.99Å; V206-G209 WeakPolarHBondContact O-CA 3.48Å; V206-G209 PolarHBondContact O-N 3.11Å; V206-I211 HydrophobicContact CB-CD1 4.32Å; V206-I211 HydrophobicContact CG1-CD1 3.86Å; V206-I211 HydrophobicContact CG2-CD1 3.57Å; V206-I211 HydrophobicContact CG2-CG1 3.92Å; V206-I236 HydrophobicContact CG2-CD1 4.44Å; V206-I236 HydrophobicContact CG2-CG2 3.75Å; V206-L243 HydrophobicContact CB-CD2 4.28Å; V206-L243 HydrophobicContact CG2-CD2 3.72Å; V206-L246 HydrophobicContact CG1-CD1 3.65Å |
| 207 | D | 98.5 | Very high | 98.5 | Very high | 117 Ų | 117 | 39.8 Ų | 39.8 | 63% | 0.626 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -60.6 | -28.8 | 178.3 | -69.3 | -15.4 | 0 | 0 | 0 | 112 | Q203 G209 | Q203-D207 PolarHBondContact NE2-OD1 3.37Å; Q203-D207 WeakPolarHBondContact O-CB 3.49Å; Q203-D207 PolarHBondContact O-N 3.48Å; D207-G209 PolarHBondContact O-N 3.5Å |
| 208 | A | 98.3 | Very high | 98.5 | Very high | 34 Ų | 34 | 37.6 Ų | 37.6 | 28% | 0.281 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 1.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | I169 V173 S204 V206 | I169-A208 HydrophobicContact CG2-CB 3.4Å; V173-A208 WeakPolarHBondContact CG1-O 3.35Å; V173-A208 HydrophobicContact CG2-CB 4.02Å; S204-A208 PolarHBondContact O-N 3.46Å; V206-A208 PolarHBondContact O-N 2.99Å |
| 209 | G | 98.1 | Very high | 98.4 | Very high | 34 Ų | 34 | 41.3 Ų | 41.3 | 35% | 0.351 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 17.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | V206 D207 I211 H213 | V206-G209 WeakPolarHBondContact O-CA 3.48Å; V206-G209 PolarHBondContact O-N 3.11Å; D207-G209 PolarHBondContact O-N 3.5Å; G209-I211 VanDerWaalsContact C-N 3.34Å; G209-I211 PolarHBondContact O-N 3.13Å; G209-H213 PolarHBondContact O-CD2 3.16Å |
| 210 | A | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.8 | -33.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | V173 L191 V205 A212 H213 L214 | V173-A210 HydrophobicContact CG2-CB 3.75Å; L191-A210 HydrophobicContact CD1-CB 4.24Å; V205-A210 HydrophobicContact CG1-CB 3.5Å; V205-A210 WeakPolarHBondContact O-CB 3.39Å; V205-A210 PolarHBondContact O-N 3.2Å; A210-A212 PolarHBondContact O-N 2.79Å; A210-H213 PolarHBondContact O-N 3.14Å; A210-L214 HydrophobicContact CB-CD1 4.3Å; A210-L214 WeakPolarHBondContact O-CG 3.05Å; A210-L214 PolarHBondContact O-N 2.9Å |
| 211 | I | 98.5 | Very high | 98.2 | Very high | 13 Ų | 13 | 43.6 Ų | 43.6 | 7% | 0.067 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.5 | -47.8 | -173.2 | -69.6 | -179.7 | 0 | 0 | 0 | 111.2 | V206 G209 H213 L214 A215 I236 L246 V247 A250 | V206-I211 HydrophobicContact CB-CD1 4.32Å; V206-I211 HydrophobicContact CG1-CD1 3.86Å; V206-I211 HydrophobicContact CG2-CD1 3.57Å; V206-I211 HydrophobicContact CG2-CG1 3.92Å; G209-I211 VanDerWaalsContact C-N 3.34Å; G209-I211 PolarHBondContact O-N 3.13Å; I211-H213 VanDerWaalsContact C-N 3.26Å; I211-H213 PolarHBondContact O-N 3.36Å; I211-L214 PolarHBondContact O-N 3.24Å; I211-A215 VanDerWaalsContact O-CB 3.29Å; I211-A215 WeakPolarHBondContact O-CB 3.38Å; I211-A215 PolarHBondContact O-N 3.04Å; I211-I236 HydrophobicContact CD1-CG2 4.25Å; I211-I236 HydrophobicContact CG1-CD1 4.3Å; I211-L246 HydrophobicContact CD1-CB 3.69Å; I211-V247 HydrophobicContact CD1-CG2 3.96Å; I211-V247 HydrophobicContact CG1-CG2 4.46Å; I211-A250 HydrophobicContact CG2-CB 3.46Å; I211-A250 VanDerWaalsContact CG2-CB 3.46Å |
| 212 | A | 98 | Very high | 98.1 | Very high | 55 Ų | 55 | 45.3 Ų | 45.3 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.7 | -40.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A210 Q216 | A210-A212 PolarHBondContact O-N 2.79Å; A212-Q216 WeakPolarHBondContact O-CG 3.42Å; A212-Q216 PolarHBondContact O-N 3.12Å |
| 213 | H | 98.4 | Very high | 98.1 | Very high | 45 Ų | 45 | 46.7 Ų | 46.7 | 21% | 0.208 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -74.5 | -39.9 | 178.6 | -58.9 | -58.3 | 0 | 0 | 0 | 112.4 | I176 Q177 G209 A210 I211 Q216 L217 | I176-H213 HydrophobicContact CG2-CB 3.83Å; Q177-H213 HydrophobicContact CG-CB 4.46Å; Q177-H213 PolarHBondContact NE2-NE2 2.96Å; Q177-H213 PolarHBondContact OE1-CE1 3.3Å; G209-H213 PolarHBondContact O-CD2 3.16Å; A210-H213 PolarHBondContact O-N 3.14Å; I211-H213 VanDerWaalsContact C-N 3.26Å; I211-H213 PolarHBondContact O-N 3.36Å; H213-Q216 PolarHBondContact O-N 3.45Å; H213-L217 WeakPolarHBondContact O-CG 3.27Å; H213-L217 PolarHBondContact O-N 3.25Å |
| 214 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 174.4 | -72.7 | 167.6 | 0 | 0 | 0 | 111.4 | I176 A188 A210 I211 Q216 L217 V218 V229 A232 L233 I236 | I176-L214 HydrophobicContact CD1-CD2 3.47Å; I176-L214 VanDerWaalsContact CD1-CD2 3.47Å; I176-L214 HydrophobicContact CD1-CG 4.1Å; A188-L214 HydrophobicContact CB-CD2 4.21Å; A210-L214 HydrophobicContact CB-CD1 4.3Å; A210-L214 WeakPolarHBondContact O-CG 3.05Å; A210-L214 PolarHBondContact O-N 2.9Å; I211-L214 PolarHBondContact O-N 3.24Å; L214-Q216 PolarHBondContact O-N 3.4Å; L214-L217 PolarHBondContact O-N 2.96Å; L214-V218 PolarHBondContact O-N 2.9Å; L214-V229 HydrophobicContact CB-CG1 4.45Å; L214-V229 HydrophobicContact CD2-CG1 4.48Å; L214-V229 HydrophobicContact CD2-CG2 4.31Å; L214-V229 WeakPolarHBondContact O-CG1 3.4Å; L214-A232 HydrophobicContact CD1-CB 3.9Å; L214-A232 HydrophobicContact CD2-CB 4.12Å; L214-L233 HydrophobicContact CB-CD2 3.85Å; L214-L233 HydrophobicContact CB-CG 4.19Å; L214-L233 HydrophobicContact CD1-CD2 4.34Å; L214-I236 HydrophobicContact CD1-CD1 4.21Å |
| 215 | A | 98.5 | Very high | 98.1 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 9% | 0.091 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.3 | -45.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | I211 L217 V218 A250 I252 | I211-A215 VanDerWaalsContact O-CB 3.29Å; I211-A215 WeakPolarHBondContact O-CB 3.38Å; I211-A215 PolarHBondContact O-N 3.04Å; A215-L217 PolarHBondContact O-N 3.19Å; A215-V218 VanDerWaalsContact O-CB 3.31Å; A215-V218 WeakPolarHBondContact O-CB 3.46Å; A215-V218 WeakPolarHBondContact O-CG2 3.38Å; A215-V218 PolarHBondContact O-N 3.13Å; A215-V218 VanDerWaalsContact O-N 3.16Å; A215-A250 HydrophobicContact CB-CB 3.7Å; A215-I252 HydrophobicContact CB-CG2 3.48Å; A215-I252 VanDerWaalsContact CB-CG2 3.48Å |
| 216 | Q | 97.8 | Very high | 98.1 | Very high | 135 Ų | 135 | 46.1 Ų | 46.1 | 63% | 0.631 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.5 | -31.8 | 176.2 | -70.9 | 174.6 | 5.4 | 0 | 0 | 112.9 | A212 H213 L214 V218 | A212-Q216 WeakPolarHBondContact O-CG 3.42Å; A212-Q216 PolarHBondContact O-N 3.12Å; H213-Q216 PolarHBondContact O-N 3.45Å; L214-Q216 PolarHBondContact O-N 3.4Å; Q216-V218 VanDerWaalsContact C-N 3.3Å; Q216-V218 PolarHBondContact O-N 3.37Å |
| 217 | L | 98.4 | Very high | 98.1 | Very high | 13 Ų | 13 | 48.2 Ų | 48.2 | 7% | 0.068 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -79.3 | -8.9 | -178.5 | -63.8 | 175.8 | 0 | 0 | 0 | 113.9 | I176 K184 H213 L214 A215 L219 N220 L225 V229 | I176-L217 HydrophobicContact CD1-CD1 3.91Å; I176-L217 HydrophobicContact CG1-CD1 3.75Å; K184-L217 HydrophobicContact CD-CD1 4.15Å; K184-L217 HydrophobicContact CD-CD2 3.89Å; H213-L217 WeakPolarHBondContact O-CG 3.27Å; H213-L217 PolarHBondContact O-N 3.25Å; L214-L217 PolarHBondContact O-N 2.96Å; A215-L217 PolarHBondContact O-N 3.19Å; L217-L219 PolarHBondContact O-N 3.43Å; L217-N220 VanDerWaalsContact O-CB 3.23Å; L217-N220 WeakPolarHBondContact O-CB 3.49Å; L217-N220 PolarHBondContact O-N 3.3Å; L217-N220 VanDerWaalsContact O-N 3.08Å; L217-L225 HydrophobicContact CD1-CD1 4.46Å; L217-L225 HydrophobicContact CD1-CD2 4.44Å; L217-L225 HydrophobicContact CD2-CD2 4.17Å; L217-V229 HydrophobicContact CB-CG1 4.36Å; L217-V229 HydrophobicContact CB-CG2 3.65Å; L217-V229 HydrophobicContact CD1-CG2 4.26Å |
| 218 | V | 97.9 | Very high | 98.1 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -32.2 | 170.5 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | L214 A215 Q216 N220 V229 F230 L233 I252 A255 | L214-V218 PolarHBondContact O-N 2.9Å; A215-V218 VanDerWaalsContact O-CB 3.31Å; A215-V218 WeakPolarHBondContact O-CB 3.46Å; A215-V218 WeakPolarHBondContact O-CG2 3.38Å; A215-V218 PolarHBondContact O-N 3.13Å; A215-V218 VanDerWaalsContact O-N 3.16Å; Q216-V218 VanDerWaalsContact C-N 3.3Å; Q216-V218 PolarHBondContact O-N 3.37Å; V218-N220 VanDerWaalsContact C-N 3.27Å; V218-N220 PolarHBondContact O-N 2.88Å; V218-V229 HydrophobicContact CG2-CG1 3.84Å; V218-F230 HydrophobicContact CG1-CE1 4.08Å; V218-F230 HydrophobicContact CG1-CE2 4.49Å; V218-F230 HydrophobicContact CG1-CZ 3.64Å; V218-F230 HydrophobicContact CG2-CE1 4.24Å; V218-F230 HydrophobicContact CG2-CZ 4.38Å; V218-L233 HydrophobicContact CG2-CD1 3.85Å; V218-I252 HydrophobicContact CG2-CG2 4.27Å; V218-A255 HydrophobicContact CG1-CB 4.38Å |
| 219 | L | 97 | Very high | 98.1 | Very high | 122 Ų | 122 | 43.5 Ų | 43.5 | 64% | 0.639 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -4.1 | 179.5 | -59 | 177 | 0 | 0 | 0 | 113.8 | L217 A255 | L217-L219 PolarHBondContact O-N 3.43Å; L219-A255 HydrophobicContact CD2-CB 3.57Å |
| 220 | N | 96.9 | Very high | 98.1 | Very high | 44 Ų | 44 | 41.9 Ų | 41.9 | 24% | 0.235 | 22% | 0.216 | C | C | . | . | trans | -70.1 | 143.9 | -177.6 | -159 | -69.4 | 0 | 0 | 0 | 111.3 | L217 V218 D222 L225 K226 | L217-N220 VanDerWaalsContact O-CB 3.23Å; L217-N220 WeakPolarHBondContact O-CB 3.49Å; L217-N220 PolarHBondContact O-N 3.3Å; L217-N220 VanDerWaalsContact O-N 3.08Å; V218-N220 VanDerWaalsContact C-N 3.27Å; V218-N220 PolarHBondContact O-N 2.88Å; N220-D222 VanDerWaalsContact C-N 3.28Å; N220-D222 PolarHBondContact O-N 2.61Å; N220-D222 VanDerWaalsContact OD1-CB 3.28Å; N220-D222 WeakPolarHBondContact OD1-CB 3.34Å; N220-D222 PolarHBondContact OD1-N 3.27Å; N220-L225 HydrophobicContact CB-CD2 4.21Å; N220-K226 VanDerWaalsContact O-CD 3.23Å; N220-K226 WeakPolarHBondContact O-CD 3.23Å; N220-K226 VanDerWaalsContact O-CE 3.24Å; N220-K226 WeakPolarHBondContact O-CE 3.31Å | ||
| 221 | Q | 95.7 | Very high | 98.1 | Very high | 164 Ų | 164 | 42.7 Ų | 42.7 | 77% | 0.766 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -75.1 | -19.9 | 179.2 | -61.9 | -57.5 | -41.3 | 0 | 0 | 112.7 | S223 | Q221-S223 PolarHBondContact O-N 3.24Å; Q221-S223 VanDerWaalsContact O-N 3.17Å |
| 222 | D | 97.8 | Very high | 98.2 | Very high | 37 Ų | 37 | 42.1 Ų | 42.1 | 20% | 0.198 | 22% | 0.22 | C | C | . | . | trans | -72.9 | 107.5 | -177.5 | -171.9 | -110.8 | 0 | 0 | 0 | 112.5 | I181 R185 N220 L224 L225 K226 | I181-D222 HydrophobicContact CG2-CB 4.23Å; R185-D222 IonicContact CZ-OD1 3.23Å; R185-D222 VanDerWaalsContact CZ-OD1 3.23Å; R185-D222 IonicContact CZ-OD2 3.12Å; R185-D222 IonicContact NE-OD1 3.2Å; R185-D222 PolarHBondContact NE-OD1 2.89Å; R185-D222 IonicContact NE-OD2 3.5Å; R185-D222 IonicContact NH2-OD1 3.97Å; R185-D222 PolarHBondContact NH2-OD1 2.79Å; R185-D222 IonicContact NH2-OD2 2.71Å; R185-D222 PolarHBondContact NH2-OD2 3.24Å; N220-D222 VanDerWaalsContact C-N 3.28Å; N220-D222 PolarHBondContact O-N 2.61Å; N220-D222 VanDerWaalsContact OD1-CB 3.28Å; N220-D222 WeakPolarHBondContact OD1-CB 3.34Å; N220-D222 PolarHBondContact OD1-N 3.27Å; D222-L224 VanDerWaalsContact C-N 3.31Å; D222-L224 PolarHBondContact O-N 2.71Å; D222-L225 HydrophobicContact CB-CB 3.98Å; D222-L225 PolarHBondContact O-N 3.46Å; D222-L225 VanDerWaalsContact OD1-CB 3.25Å; D222-L225 WeakPolarHBondContact OD1-CB 3.32Å; D222-L225 PolarHBondContact OD1-N 2.75Å; D222-K226 PolarHBondContact O-N 3.28Å | ||
| 223 | S | 97.9 | Very high | 98.2 | Very high | 29 Ų | 29 | 39.5 Ų | 39.5 | 20% | 0.203 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.3 | -39 | -179.2 | -58.9 | 0 | 0 | 0 | 0 | 112.6 | Q221 L225 K226 R227 V267 | Q221-S223 PolarHBondContact O-N 3.24Å; Q221-S223 VanDerWaalsContact O-N 3.17Å; S223-L225 VanDerWaalsContact C-N 3.33Å; S223-L225 PolarHBondContact O-N 2.88Å; S223-K226 PolarHBondContact O-N 2.81Å; S223-R227 WeakPolarHBondContact O-CG 3.33Å; S223-R227 PolarHBondContact O-N 2.84Å; S223-V267 WeakPolarHBondContact O-CG2 3.48Å |
| 224 | L | 98.3 | Very high | 98.2 | Very high | 73 Ų | 73 | 37.9 Ų | 37.9 | 38% | 0.382 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.4 | -35.9 | -180 | -68.8 | -178.7 | 0 | 0 | 0 | 112.4 | D222 | D222-L224 VanDerWaalsContact C-N 3.31Å; D222-L224 PolarHBondContact O-N 2.71Å |
| 225 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.4 | -48.5 | 171.4 | 178.9 | 56.6 | 0 | 0 | 0 | 111.1 | I181 K184 R185 A188 L217 N220 D222 S223 R227 Q228 V229 | I181-L225 HydrophobicContact CD1-CD2 4.31Å; K184-L225 HydrophobicContact CB-CD1 3.71Å; K184-L225 HydrophobicContact CB-CD2 4.09Å; K184-L225 HydrophobicContact CD-CD2 4.13Å; R185-L225 HydrophobicContact CG-CB 3.94Å; R185-L225 HydrophobicContact CG-CD1 4.2Å; A188-L225 HydrophobicContact CB-CD1 4.36Å; L217-L225 HydrophobicContact CD1-CD1 4.46Å; L217-L225 HydrophobicContact CD1-CD2 4.44Å; L217-L225 HydrophobicContact CD2-CD2 4.17Å; N220-L225 HydrophobicContact CB-CD2 4.21Å; D222-L225 HydrophobicContact CB-CB 3.98Å; D222-L225 PolarHBondContact O-N 3.46Å; D222-L225 VanDerWaalsContact OD1-CB 3.25Å; D222-L225 WeakPolarHBondContact OD1-CB 3.32Å; D222-L225 PolarHBondContact OD1-N 2.75Å; S223-L225 VanDerWaalsContact C-N 3.33Å; S223-L225 PolarHBondContact O-N 2.88Å; L225-R227 PolarHBondContact O-N 2.93Å; L225-Q228 PolarHBondContact O-N 3.31Å; L225-V229 HydrophobicContact CD1-CG2 3.96Å; L225-V229 HydrophobicContact CG-CG2 4.08Å; L225-V229 WeakPolarHBondContact O-CG2 3.26Å; L225-V229 PolarHBondContact O-N 2.94Å |
| 226 | K | 98.7 | Very high | 98.2 | Very high | 16 Ų | 16 | 38.4 Ų | 38.4 | 7% | 0.07 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -54.3 | -39.5 | 177.1 | -79.5 | -171.6 | -71.3 | -173.2 | 0 | 112.5 | N220 D222 S223 Q228 V229 F230 D262 V267 | N220-K226 VanDerWaalsContact O-CD 3.23Å; N220-K226 WeakPolarHBondContact O-CD 3.23Å; N220-K226 VanDerWaalsContact O-CE 3.24Å; N220-K226 WeakPolarHBondContact O-CE 3.31Å; D222-K226 PolarHBondContact O-N 3.28Å; S223-K226 PolarHBondContact O-N 2.81Å; K226-Q228 VanDerWaalsContact C-N 3.26Å; K226-Q228 PolarHBondContact O-N 2.75Å; K226-V229 PolarHBondContact O-N 2.88Å; K226-F230 HydrophobicContact CB-CD2 4.24Å; K226-F230 HydrophobicContact CB-CE2 4.29Å; K226-F230 HydrophobicContact CD-CE2 4.45Å; K226-F230 HydrophobicContact CG-CE2 4.49Å; K226-F230 VanDerWaalsContact O-CD2 3.23Å; K226-F230 WeakPolarHBondContact O-CD2 3.48Å; K226-F230 PolarHBondContact O-N 3.42Å; K226-D262 IonicContact NZ-OD2 2.7Å; K226-D262 PolarHBondContact NZ-OD2 3.01Å; K226-V267 HydrophobicContact CB-CG1 4.13Å; K226-V267 HydrophobicContact CB-CG2 3.79Å; K226-V267 HydrophobicContact CD-CG1 4.45Å |
| 227 | R | 98.5 | Very high | 98.3 | Very high | 64 Ų | 64 | 32 Ų | 32 | 24% | 0.242 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -51.3 | -47.5 | 174.4 | -71.1 | 176.2 | -174.7 | -171.4 | -0.7 | 111.2 | S223 L225 A231 D264 I266 V267 N270 | S223-R227 WeakPolarHBondContact O-CG 3.33Å; S223-R227 PolarHBondContact O-N 2.84Å; L225-R227 PolarHBondContact O-N 2.93Å; R227-A231 WeakPolarHBondContact O-CB 3.49Å; R227-A231 PolarHBondContact O-N 3.49Å; R227-A231 VanDerWaalsContact O-N 3.1Å; R227-D264 IonicContact CZ-OD1 3.37Å; R227-D264 IonicContact CZ-OD2 2.63Å; R227-D264 VanDerWaalsContact NE-CG 3.31Å; R227-D264 IonicContact NE-OD1 3.41Å; R227-D264 PolarHBondContact NE-OD1 3.47Å; R227-D264 IonicContact NE-OD2 3.63Å; R227-D264 PolarHBondContact NE-OD2 2.64Å; R227-D264 IonicContact NH2-OD1 3.87Å; R227-D264 PolarHBondContact NH2-OD1 2.88Å; R227-D264 IonicContact NH2-OD2 2.89Å; R227-D264 PolarHBondContact NH2-OD2 3.14Å; R227-I266 HydrophobicContact CB-CG2 4.2Å; R227-I266 HydrophobicContact CG-CB 3.8Å; R227-I266 HydrophobicContact CG-CG2 3.72Å; R227-V267 HydrophobicContact CG-CG2 3.74Å; R227-N270 PolarHBondContact O-ND2 3.37Å |
| 228 | Q | 98.7 | Very high | 98.3 | Very high | 53 Ų | 53 | 34.2 Ų | 34.2 | 25% | 0.248 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -77.2 | -38.2 | -176.6 | -48.7 | -48 | -22.5 | 0 | 0 | 112.3 | A188 C189 L225 K226 A231 A232 | A188-Q228 HydrophobicContact CB-CB 3.69Å; C189-Q228 HydrophobicContact CB-CB 4.41Å; C189-Q228 HydrophobicContact CB-CG 4.03Å; L225-Q228 PolarHBondContact O-N 3.31Å; K226-Q228 VanDerWaalsContact C-N 3.26Å; K226-Q228 PolarHBondContact O-N 2.75Å; Q228-A231 WeakPolarHBondContact O-CB 3.42Å; Q228-A231 PolarHBondContact O-N 3Å; Q228-A232 WeakPolarHBondContact O-CB 3.36Å; Q228-A232 PolarHBondContact O-N 3.23Å |
| 229 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.1 | -50.8 | 176.2 | 172 | 0 | 0 | 0 | 0 | 110.7 | A188 L214 L217 V218 L225 K226 A231 A232 L233 | A188-V229 HydrophobicContact CB-CG2 4.45Å; L214-V229 HydrophobicContact CB-CG1 4.45Å; L214-V229 HydrophobicContact CD2-CG1 4.48Å; L214-V229 HydrophobicContact CD2-CG2 4.31Å; L214-V229 WeakPolarHBondContact O-CG1 3.4Å; L217-V229 HydrophobicContact CB-CG1 4.36Å; L217-V229 HydrophobicContact CB-CG2 3.65Å; L217-V229 HydrophobicContact CD1-CG2 4.26Å; V218-V229 HydrophobicContact CG2-CG1 3.84Å; L225-V229 HydrophobicContact CD1-CG2 3.96Å; L225-V229 HydrophobicContact CG-CG2 4.08Å; L225-V229 WeakPolarHBondContact O-CG2 3.26Å; L225-V229 PolarHBondContact O-N 2.94Å; K226-V229 PolarHBondContact O-N 2.88Å; V229-A231 VanDerWaalsContact C-N 3.31Å; V229-A231 PolarHBondContact O-N 2.64Å; V229-A232 PolarHBondContact O-N 3.34Å; V229-L233 HydrophobicContact CG1-CD1 4.02Å; V229-L233 WeakPolarHBondContact O-CG 3.32Å; V229-L233 PolarHBondContact O-N 2.8Å |
| 230 | F | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.8 | -32.8 | 177 | -76.1 | -63.6 | 0 | 0 | 0 | 112.7 | V218 K226 S234 A256 C259 V267 N270 C271 L274 | V218-F230 HydrophobicContact CG1-CE1 4.08Å; V218-F230 HydrophobicContact CG1-CE2 4.49Å; V218-F230 HydrophobicContact CG1-CZ 3.64Å; V218-F230 HydrophobicContact CG2-CE1 4.24Å; V218-F230 HydrophobicContact CG2-CZ 4.38Å; K226-F230 HydrophobicContact CB-CD2 4.24Å; K226-F230 HydrophobicContact CB-CE2 4.29Å; K226-F230 HydrophobicContact CD-CE2 4.45Å; K226-F230 HydrophobicContact CG-CE2 4.49Å; K226-F230 VanDerWaalsContact O-CD2 3.23Å; K226-F230 WeakPolarHBondContact O-CD2 3.48Å; K226-F230 PolarHBondContact O-N 3.42Å; F230-S234 WeakPolarHBondContact O-CB 3.35Å; F230-S234 PolarHBondContact O-N 2.97Å; F230-A256 HydrophobicContact CE1-CB 3.91Å; F230-A256 HydrophobicContact CZ-CB 4.41Å; F230-C259 HydrophobicContact CE2-CB 3.66Å; F230-C259 HydrophobicContact CZ-CB 3.53Å; F230-V267 HydrophobicContact CD2-CG1 3.94Å; F230-V267 HydrophobicContact CE2-CG1 3.86Å; F230-N270 HydrophobicContact CB-CB 3.63Å; F230-C271 HydrophobicContact CD1-CB 4.03Å; F230-C271 HydrophobicContact CD2-CB 4.3Å; F230-C271 HydrophobicContact CE1-CB 4.06Å; F230-C271 HydrophobicContact CE2-CB 4.33Å; F230-C271 HydrophobicContact CG-CB 4.15Å; F230-C271 HydrophobicContact CZ-CB 4.2Å; F230-L274 HydrophobicContact CD1-CD2 3.75Å; F230-L274 HydrophobicContact CE1-CD2 4.13Å |
| 231 | A | 98.8 | Very high | 98.5 | Very high | 18 Ų | 18 | 32.2 Ų | 32.2 | 15% | 0.149 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.4 | -50.7 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | A192 R227 Q228 V229 S234 T235 | A192-A231 HydrophobicContact CB-CB 4.01Å; R227-A231 WeakPolarHBondContact O-CB 3.49Å; R227-A231 PolarHBondContact O-N 3.49Å; R227-A231 VanDerWaalsContact O-N 3.1Å; Q228-A231 WeakPolarHBondContact O-CB 3.42Å; Q228-A231 PolarHBondContact O-N 3Å; V229-A231 VanDerWaalsContact C-N 3.31Å; V229-A231 PolarHBondContact O-N 2.64Å; A231-S234 PolarHBondContact O-N 3.22Å; A231-T235 WeakPolarHBondContact O-CG2 3.36Å; A231-T235 PolarHBondContact O-N 3.28Å; A231-T235 PolarHBondContact O-OG1 3.31Å |
| 232 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.2 | -48.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A192 L214 Q228 V229 S234 T235 I236 | A192-A232 HydrophobicContact CB-CB 3.98Å; L214-A232 HydrophobicContact CD1-CB 3.9Å; L214-A232 HydrophobicContact CD2-CB 4.12Å; Q228-A232 WeakPolarHBondContact O-CB 3.36Å; Q228-A232 PolarHBondContact O-N 3.23Å; V229-A232 PolarHBondContact O-N 3.34Å; A232-S234 VanDerWaalsContact C-N 3.31Å; A232-S234 PolarHBondContact O-N 3.17Å; A232-T235 WeakPolarHBondContact CA-OG1 3.43Å; A232-T235 PolarHBondContact O-N 3.29Å; A232-T235 PolarHBondContact O-OG1 2.99Å; A232-I236 VanDerWaalsContact O-CG1 3.26Å; A232-I236 WeakPolarHBondContact O-CG1 3.37Å; A232-I236 PolarHBondContact O-N 3.46Å |
| 233 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.6 | -40.2 | 177.6 | -68.1 | 174 | 0 | 0 | 0 | 111.5 | L214 V218 V229 I236 A237 V247 I252 L274 | L214-L233 HydrophobicContact CB-CD2 3.85Å; L214-L233 HydrophobicContact CB-CG 4.19Å; L214-L233 HydrophobicContact CD1-CD2 4.34Å; V218-L233 HydrophobicContact CG2-CD1 3.85Å; V229-L233 HydrophobicContact CG1-CD1 4.02Å; V229-L233 WeakPolarHBondContact O-CG 3.32Å; V229-L233 PolarHBondContact O-N 2.8Å; L233-I236 PolarHBondContact O-N 3.43Å; L233-A237 WeakPolarHBondContact O-CB 3.48Å; L233-A237 PolarHBondContact O-N 3.32Å; L233-V247 HydrophobicContact CB-CG1 4.34Å; L233-V247 HydrophobicContact CD2-CG1 4.19Å; L233-V247 HydrophobicContact CD2-CG2 4.29Å; L233-I252 HydrophobicContact CD1-CG2 4.36Å; L233-L274 HydrophobicContact CB-CD1 4.02Å; L233-L274 HydrophobicContact CB-CD2 3.94Å; L233-L274 HydrophobicContact CD1-CD2 4.28Å |
| 234 | S | 98.9 | Very high | 98.8 | Very high | 11 Ų | 11 | 26.3 Ų | 26.3 | 8% | 0.077 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.1 | -40.8 | 176.9 | 179.7 | 0 | 0 | 0 | 0 | 112.2 | F230 A231 A232 I236 K238 N273 L274 | F230-S234 WeakPolarHBondContact O-CB 3.35Å; F230-S234 PolarHBondContact O-N 2.97Å; A231-S234 PolarHBondContact O-N 3.22Å; A232-S234 VanDerWaalsContact C-N 3.31Å; A232-S234 PolarHBondContact O-N 3.17Å; S234-I236 VanDerWaalsContact C-N 3.33Å; S234-K238 PolarHBondContact O-N 2.72Å; S234-K238 VanDerWaalsContact O-N 3.13Å; S234-N273 WeakPolarHBondContact OG-CB 3.11Å; S234-L274 PolarHBondContact OG-N 3.36Å |
| 235 | T | 98.8 | Very high | 98.8 | Very high | 22 Ų | 22 | 26.5 Ų | 26.5 | 14% | 0.135 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -75.3 | -21.5 | 179.5 | 49.4 | 0 | 0 | 0 | 0 | 113.3 | T195 K196 A231 A232 K238 H239 | T195-T235 WeakPolarHBondContact OG1-CB 3.47Å; T195-T235 PolarHBondContact OG1-OG1 2.79Å; K196-T235 HydrophobicContact CB-CG2 3.69Å; A231-T235 WeakPolarHBondContact O-CG2 3.36Å; A231-T235 PolarHBondContact O-N 3.28Å; A231-T235 PolarHBondContact O-OG1 3.31Å; A232-T235 WeakPolarHBondContact CA-OG1 3.43Å; A232-T235 PolarHBondContact O-N 3.29Å; A232-T235 PolarHBondContact O-OG1 2.99Å; T235-K238 WeakPolarHBondContact O-CG 3.39Å; T235-H239 PolarHBondContact O-CD2 3.41Å; T235-H239 PolarHBondContact O-NE2 3.34Å |
| 236 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -72.6 | -56.6 | 166.7 | -68.6 | 165.1 | 0 | 0 | 0 | 109.6 | T195 V205 V206 I211 L214 A232 L233 S234 K238 H239 L243 V247 | T195-I236 HydrophobicContact CG2-CD1 4.16Å; T195-I236 HydrophobicContact CG2-CG1 3.58Å; V205-I236 HydrophobicContact CG1-CD1 4.39Å; V206-I236 HydrophobicContact CG2-CD1 4.44Å; V206-I236 HydrophobicContact CG2-CG2 3.75Å; I211-I236 HydrophobicContact CD1-CG2 4.25Å; I211-I236 HydrophobicContact CG1-CD1 4.3Å; L214-I236 HydrophobicContact CD1-CD1 4.21Å; A232-I236 VanDerWaalsContact O-CG1 3.26Å; A232-I236 WeakPolarHBondContact O-CG1 3.37Å; A232-I236 PolarHBondContact O-N 3.46Å; L233-I236 PolarHBondContact O-N 3.43Å; S234-I236 VanDerWaalsContact C-N 3.33Å; I236-K238 PolarHBondContact O-N 3.11Å; I236-K238 VanDerWaalsContact O-N 3.11Å; I236-H239 PolarHBondContact O-N 3.24Å; I236-L243 HydrophobicContact CG2-CB 4.17Å; I236-L243 HydrophobicContact CG2-CD2 4.22Å; I236-V247 HydrophobicContact CB-CG2 4.27Å; I236-V247 HydrophobicContact CG2-CG2 3.76Å |
| 237 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.8 | -25.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L233 H239 A244 V247 L274 E277 I278 H281 | L233-A237 WeakPolarHBondContact O-CB 3.48Å; L233-A237 PolarHBondContact O-N 3.32Å; A237-H239 VanDerWaalsContact C-N 3.27Å; A237-H239 PolarHBondContact O-N 3.33Å; A237-A244 HydrophobicContact CB-CB 4.21Å; A237-V247 HydrophobicContact CB-CG2 4.35Å; A237-L274 HydrophobicContact CB-CD1 4.11Å; A237-E277 HydrophobicContact CB-CB 4.35Å; A237-I278 HydrophobicContact CB-CG1 4.13Å; A237-H281 PolarHBondContact O-NE2 3.43Å |
| 238 | K | 98.6 | Very high | 98.8 | Very high | 60 Ų | 60 | 26.2 Ų | 26.2 | 26% | 0.261 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -26.5 | -175.4 | 73.2 | -178.1 | -175.5 | 166.3 | 0 | 114.8 | K196 S234 T235 I236 E277 K280 | K196-K238 WeakPolarHBondContact O-CE 3.05Å; K196-K238 PolarHBondContact O-NZ 3.11Å; S234-K238 PolarHBondContact O-N 2.72Å; S234-K238 VanDerWaalsContact O-N 3.13Å; T235-K238 WeakPolarHBondContact O-CG 3.39Å; I236-K238 PolarHBondContact O-N 3.11Å; I236-K238 VanDerWaalsContact O-N 3.11Å; K238-E277 HydrophobicContact CB-CB 4.19Å; K238-E277 VanDerWaalsContact CB-CD 3.48Å; K238-E277 HydrophobicContact CB-CG 3.77Å; K238-E277 WeakPolarHBondContact CB-OE2 3.11Å; K238-K280 WeakPolarHBondContact O-CE 3.27Å; K238-K280 PolarHBondContact O-NZ 3.04Å |
| 239 | H | 98.6 | Very high | 98.8 | Very high | 51 Ų | 51 | 30.2 Ų | 30.2 | 24% | 0.236 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -83.7 | -39.8 | -162.1 | -73.5 | -67.1 | 0 | 0 | 0 | 114.6 | T195 T198 A199 T235 I236 A237 L243 | T195-H239 PolarHBondContact O-NE2 2.71Å; T198-H239 PolarHBondContact O-NE2 3.11Å; A199-H239 HydrophobicContact CB-CB 3.98Å; T235-H239 PolarHBondContact O-CD2 3.41Å; T235-H239 PolarHBondContact O-NE2 3.34Å; I236-H239 PolarHBondContact O-N 3.24Å; A237-H239 VanDerWaalsContact C-N 3.27Å; A237-H239 PolarHBondContact O-N 3.33Å; H239-L243 HydrophobicContact CB-CD1 3.81Å |
| 240 | S | 98.6 | Very high | 98.7 | Very high | 30 Ų | 30 | 31.7 Ų | 31.7 | 21% | 0.21 | 17% | 0.17 | C | C | . | . | trans | -149.7 | 167.1 | -179.1 | 69.4 | 0 | 0 | 0 | 0 | 111.6 | L243 A244 H281 | S240-L243 WeakPolarHBondContact OG-CB 3.42Å; S240-L243 VanDerWaalsContact OG-CG 3.3Å; S240-L243 WeakPolarHBondContact OG-CG 3.43Å; S240-L243 PolarHBondContact OG-N 2.95Å; S240-L243 VanDerWaalsContact OG-N 3.14Å; S240-A244 PolarHBondContact O-N 2.95Å; S240-H281 PolarHBondContact O-CE1 2.96Å; S240-H281 VanDerWaalsContact O-CE1 3.31Å; S240-H281 PolarHBondContact O-NE2 3.45Å; S240-H281 VanDerWaalsContact O-NE2 3.1Å | ||
| 241 | V | 98.8 | Very high | 98.6 | Very high | 48 Ų | 48 | 39.9 Ų | 39.9 | 29% | 0.291 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.5 | -49.6 | 173.2 | -176.6 | 0 | 0 | 0 | 0 | 109.6 | L243 A244 E245 H281 T282 L285 | V241-L243 VanDerWaalsContact C-N 3.32Å; V241-L243 PolarHBondContact O-N 3.39Å; V241-A244 CarbonylContact O-C 3.6Å; V241-A244 WeakPolarHBondContact O-CA 3.44Å; V241-A244 WeakPolarHBondContact O-CB 3.33Å; V241-A244 PolarHBondContact O-N 3.25Å; V241-E245 HydrophobicContact CG1-CG 4.29Å; V241-E245 WeakPolarHBondContact O-CG 3.5Å; V241-E245 PolarHBondContact O-N 3.48Å; V241-H281 HydrophobicContact CG2-CB 4.19Å; V241-T282 HydrophobicContact CG1-CG2 3.68Å; V241-T282 HydrophobicContact CG2-CG2 3.97Å; V241-L285 HydrophobicContact CG1-CD1 4.33Å |
| 242 | D | 98.8 | Very high | 98.6 | Very high | 105 Ų | 105 | 39.3 Ų | 39.3 | 56% | 0.561 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -56.1 | -44.3 | -179 | -47.5 | -39.9 | 0 | 0 | 0 | 112.1 | A244 E245 L246 | D242-A244 VanDerWaalsContact C-N 3.34Å; D242-A244 PolarHBondContact O-N 3.26Å; D242-E245 PolarHBondContact O-N 2.9Å; D242-L246 WeakPolarHBondContact O-CG 3.41Å; D242-L246 PolarHBondContact O-N 3.23Å |
| 243 | L | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.4 | -33.4 | 178.3 | -70.3 | 172.1 | 0 | 0 | 0 | 112.4 | A202 V206 I236 H239 S240 V241 V247 | A202-L243 HydrophobicContact CB-CD1 3.87Å; V206-L243 HydrophobicContact CB-CD2 4.28Å; V206-L243 HydrophobicContact CG2-CD2 3.72Å; I236-L243 HydrophobicContact CG2-CB 4.17Å; I236-L243 HydrophobicContact CG2-CD2 4.22Å; H239-L243 HydrophobicContact CB-CD1 3.81Å; S240-L243 WeakPolarHBondContact OG-CB 3.42Å; S240-L243 VanDerWaalsContact OG-CG 3.3Å; S240-L243 WeakPolarHBondContact OG-CG 3.43Å; S240-L243 PolarHBondContact OG-N 2.95Å; S240-L243 VanDerWaalsContact OG-N 3.14Å; V241-L243 VanDerWaalsContact C-N 3.32Å; V241-L243 PolarHBondContact O-N 3.39Å; L243-V247 WeakPolarHBondContact O-CG2 3.15Å; L243-V247 PolarHBondContact O-N 3.04Å |
| 244 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.7 | -38.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A237 S240 V241 D242 V247 V248 L285 | A237-A244 HydrophobicContact CB-CB 4.21Å; S240-A244 PolarHBondContact O-N 2.95Å; V241-A244 CarbonylContact O-C 3.6Å; V241-A244 WeakPolarHBondContact O-CA 3.44Å; V241-A244 WeakPolarHBondContact O-CB 3.33Å; V241-A244 PolarHBondContact O-N 3.25Å; D242-A244 VanDerWaalsContact C-N 3.34Å; D242-A244 PolarHBondContact O-N 3.26Å; A244-V247 PolarHBondContact O-N 3.29Å; A244-V248 WeakPolarHBondContact O-CG2 3.35Å; A244-V248 PolarHBondContact O-N 3.1Å; A244-V248 VanDerWaalsContact O-N 3.11Å; A244-L285 HydrophobicContact CB-CD1 3.89Å |
| 245 | E | 98.8 | Very high | 98.4 | Very high | 77 Ų | 77 | 45 Ų | 45 | 36% | 0.36 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.5 | -49.8 | 174.3 | -73.7 | 178.2 | 168.2 | 0 | 0 | 110.7 | V241 D242 V247 V248 E249 L285 | V241-E245 HydrophobicContact CG1-CG 4.29Å; V241-E245 WeakPolarHBondContact O-CG 3.5Å; V241-E245 PolarHBondContact O-N 3.48Å; D242-E245 PolarHBondContact O-N 2.9Å; E245-V247 VanDerWaalsContact C-N 3.26Å; E245-V247 PolarHBondContact O-N 2.79Å; E245-V248 CarbonylContact O-C 3.59Å; E245-V248 PolarHBondContact O-N 2.64Å; E245-E249 WeakPolarHBondContact O-CB 3.4Å; E245-E249 WeakPolarHBondContact O-CG 3.22Å; E245-E249 PolarHBondContact O-N 2.82Å; E245-L285 HydrophobicContact CG-CD1 4.4Å; E245-L285 HydrophobicContact CG-CD2 4.02Å; E245-L285 HydrophobicContact CG-CG 4.47Å |
| 246 | L | 98.8 | Very high | 98.3 | Very high | 61 Ų | 61 | 44 Ų | 44 | 32% | 0.319 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58 | -36.5 | 177.5 | -68.3 | 172.4 | 0 | 0 | 0 | 113 | V206 I211 D242 A250 | V206-L246 HydrophobicContact CG1-CD1 3.65Å; I211-L246 HydrophobicContact CD1-CB 3.69Å; D242-L246 WeakPolarHBondContact O-CG 3.41Å; D242-L246 PolarHBondContact O-N 3.23Å; L246-A250 PolarHBondContact O-N 2.97Å |
| 247 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.1 | -36.7 | 175.7 | 168.8 | 0 | 0 | 0 | 0 | 111.8 | I211 L233 I236 A237 L243 A244 E245 I252 L274 I278 | I211-V247 HydrophobicContact CD1-CG2 3.96Å; I211-V247 HydrophobicContact CG1-CG2 4.46Å; L233-V247 HydrophobicContact CB-CG1 4.34Å; L233-V247 HydrophobicContact CD2-CG1 4.19Å; L233-V247 HydrophobicContact CD2-CG2 4.29Å; I236-V247 HydrophobicContact CB-CG2 4.27Å; I236-V247 HydrophobicContact CG2-CG2 3.76Å; A237-V247 HydrophobicContact CB-CG2 4.35Å; L243-V247 WeakPolarHBondContact O-CG2 3.15Å; L243-V247 PolarHBondContact O-N 3.04Å; A244-V247 PolarHBondContact O-N 3.29Å; E245-V247 VanDerWaalsContact C-N 3.26Å; E245-V247 PolarHBondContact O-N 2.79Å; V247-I252 HydrophobicContact CG1-CD1 3.71Å; V247-L274 HydrophobicContact CG1-CD1 3.93Å; V247-I278 HydrophobicContact CG1-CD1 4.43Å |
| 248 | V | 98.5 | Very high | 98.2 | Very high | 14 Ų | 14 | 49.7 Ų | 49.7 | 9% | 0.085 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -76.3 | -38.1 | 178.5 | 172.8 | 0 | 0 | 0 | 0 | 111.8 | A244 E245 A250 E251 F253 I278 L285 L288 | A244-V248 WeakPolarHBondContact O-CG2 3.35Å; A244-V248 PolarHBondContact O-N 3.1Å; A244-V248 VanDerWaalsContact O-N 3.11Å; E245-V248 CarbonylContact O-C 3.59Å; E245-V248 PolarHBondContact O-N 2.64Å; V248-A250 PolarHBondContact O-N 2.91Å; V248-E251 PolarHBondContact O-N 3.26Å; V248-F253 HydrophobicContact CG2-CE2 4.19Å; V248-I278 HydrophobicContact CG2-CD1 3.78Å; V248-I278 HydrophobicContact CG2-CG1 4.24Å; V248-I278 HydrophobicContact CG2-CG2 3.87Å; V248-L285 HydrophobicContact CG2-CD2 4.15Å; V248-L288 HydrophobicContact CG1-CD1 3.44Å; V248-L288 VanDerWaalsContact CG1-CD1 3.44Å; V248-L288 HydrophobicContact CG1-CD2 3.49Å; V248-L288 VanDerWaalsContact CG1-CD2 3.49Å; V248-L288 HydrophobicContact CG1-CG 4.1Å |
| 249 | E | 98.1 | Very high | 98.2 | Very high | 137 Ų | 137 | 47.4 Ų | 47.4 | 64% | 0.64 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.4 | -23 | 174.7 | -75.2 | -179.7 | 175.5 | 0 | 0 | 112.7 | E245 E251 | E245-E249 WeakPolarHBondContact O-CB 3.4Å; E245-E249 WeakPolarHBondContact O-CG 3.22Å; E245-E249 PolarHBondContact O-N 2.82Å; E249-E251 PolarHBondContact O-N 3.38Å; E249-E251 VanDerWaalsContact O-N 3.13Å |
| 250 | A | 98.1 | Very high | 98.1 | Very high | 30 Ų | 30 | 45 Ų | 45 | 25% | 0.248 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 14 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | I211 A215 L246 V248 I252 | I211-A250 HydrophobicContact CG2-CB 3.46Å; I211-A250 VanDerWaalsContact CG2-CB 3.46Å; A215-A250 HydrophobicContact CB-CB 3.7Å; L246-A250 PolarHBondContact O-N 2.97Å; V248-A250 PolarHBondContact O-N 2.91Å; A250-I252 VanDerWaalsContact C-N 3.27Å; A250-I252 PolarHBondContact O-N 2.98Å; A250-I252 VanDerWaalsContact O-N 3.14Å |
| 251 | E | 97.2 | Very high | 97.9 | Very high | 173 Ų | 173 | 49.4 Ų | 49.4 | 81% | 0.808 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 34.6 | 170.3 | -58.1 | -171.5 | 153.7 | 0 | 0 | 114.8 | V248 E249 F253 | V248-E251 PolarHBondContact O-N 3.26Å; E249-E251 PolarHBondContact O-N 3.38Å; E249-E251 VanDerWaalsContact O-N 3.13Å; E251-F253 PolarHBondContact O-N 2.95Å |
| 252 | I | 98 | Very high | 97.7 | Very high | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | trans | -69.8 | -14.9 | 178 | 59.9 | 165.4 | 0 | 0 | 0 | 113.4 | A215 V218 L233 V247 A250 A255 A256 L274 | A215-I252 HydrophobicContact CB-CG2 3.48Å; A215-I252 VanDerWaalsContact CB-CG2 3.48Å; V218-I252 HydrophobicContact CG2-CG2 4.27Å; L233-I252 HydrophobicContact CD1-CG2 4.36Å; V247-I252 HydrophobicContact CG1-CD1 3.71Å; A250-I252 VanDerWaalsContact C-N 3.27Å; A250-I252 PolarHBondContact O-N 2.98Å; A250-I252 VanDerWaalsContact O-N 3.14Å; I252-A255 PolarHBondContact O-N 3.23Å; I252-A256 WeakPolarHBondContact O-CB 3.48Å; I252-A256 PolarHBondContact O-N 3.18Å; I252-L274 HydrophobicContact CD1-CD2 3.63Å; I252-L274 HydrophobicContact CD1-CG 4.42Å | ||
| 253 | F | 98.1 | Very high | 97.5 | Very high | 22 Ų | 22 | 49.3 Ų | 49.3 | 10% | 0.096 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 138.5 | 177.6 | -66.6 | -70.9 | 0 | 0 | 0 | 110.7 | V248 E251 A256 L257 V275 I278 I289 C292 | V248-F253 HydrophobicContact CG2-CE2 4.19Å; E251-F253 PolarHBondContact O-N 2.95Å; F253-A256 HydrophobicContact CD1-CB 3.91Å; F253-A256 HydrophobicContact CE1-CB 3.65Å; F253-A256 HydrophobicContact CZ-CB 4.22Å; F253-L257 HydrophobicContact CD1-CD1 4.29Å; F253-L257 HydrophobicContact CD1-CD2 4.27Å; F253-L257 HydrophobicContact CD1-CG 3.79Å; F253-L257 HydrophobicContact CE1-CD2 4.02Å; F253-L257 HydrophobicContact CE1-CG 4.02Å; F253-V275 HydrophobicContact CE1-CG2 4.15Å; F253-V275 HydrophobicContact CZ-CG2 4.31Å; F253-I278 HydrophobicContact CE2-CD1 3.65Å; F253-I278 HydrophobicContact CZ-CD1 3.85Å; F253-I289 HydrophobicContact CD1-CD1 4.06Å; F253-I289 HydrophobicContact CD2-CD1 3.62Å; F253-I289 HydrophobicContact CE1-CD1 3.73Å; F253-I289 HydrophobicContact CE2-CD1 3.28Å; F253-I289 HydrophobicContact CG-CD1 4.02Å; F253-I289 HydrophobicContact CZ-CD1 3.33Å; F253-C292 HydrophobicContact CB-CB 4.3Å |
| 254 | P | 96.2 | Very high | 97.3 | Very high | 82 Ų | 82 | 50.3 Ų | 50.3 | 53% | 0.532 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -88.9 | -0.7 | 11.5 | 35.1 | -36.7 | 0 | 0 | 0 | 115 | A256 L257 V258 | P254-A256 VanDerWaalsContact C-N 3.29Å; P254-A256 PolarHBondContact O-N 3.29Å; P254-L257 WeakPolarHBondContact O-CB 3.42Å; P254-L257 PolarHBondContact O-N 3.18Å; P254-V258 PolarHBondContact O-N 3.43Å |
| 255 | A | 97.3 | Very high | 97.1 | Very high | 28 Ų | 28 | 55.6 Ų | 55.6 | 23% | 0.231 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.5 | -41.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V218 L219 I252 L257 V258 | V218-A255 HydrophobicContact CG1-CB 4.38Å; L219-A255 HydrophobicContact CD2-CB 3.57Å; I252-A255 PolarHBondContact O-N 3.23Å; A255-L257 VanDerWaalsContact C-N 3.31Å; A255-L257 PolarHBondContact O-N 3.31Å; A255-V258 WeakPolarHBondContact O-CB 3.35Å; A255-V258 PolarHBondContact O-N 2.87Å |
| 256 | A | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.5 | -40 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F230 I252 F253 P254 V258 C259 C271 | F230-A256 HydrophobicContact CE1-CB 3.91Å; F230-A256 HydrophobicContact CZ-CB 4.41Å; I252-A256 WeakPolarHBondContact O-CB 3.48Å; I252-A256 PolarHBondContact O-N 3.18Å; F253-A256 HydrophobicContact CD1-CB 3.91Å; F253-A256 HydrophobicContact CE1-CB 3.65Å; F253-A256 HydrophobicContact CZ-CB 4.22Å; P254-A256 VanDerWaalsContact C-N 3.29Å; P254-A256 PolarHBondContact O-N 3.29Å; A256-V258 PolarHBondContact O-N 3.4Å; A256-C259 WeakPolarHBondContact O-CA 3.48Å; A256-C259 WeakPolarHBondContact O-CB 3.48Å; A256-C259 PolarHBondContact O-N 3.13Å; A256-C271 PolarHBondContact O-SG 3.22Å |
| 257 | L | 98.3 | Very high | 96.9 | Very high | 11 Ų | 11 | 52.4 Ų | 52.4 | 6% | 0.058 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.7 | -30.7 | 179.1 | -65.1 | 172.7 | 0 | 0 | 0 | 112.6 | F253 P254 A255 C259 L260 V275 C292 A297 | F253-L257 HydrophobicContact CD1-CD1 4.29Å; F253-L257 HydrophobicContact CD1-CD2 4.27Å; F253-L257 HydrophobicContact CD1-CG 3.79Å; F253-L257 HydrophobicContact CE1-CD2 4.02Å; F253-L257 HydrophobicContact CE1-CG 4.02Å; P254-L257 WeakPolarHBondContact O-CB 3.42Å; P254-L257 PolarHBondContact O-N 3.18Å; A255-L257 VanDerWaalsContact C-N 3.31Å; A255-L257 PolarHBondContact O-N 3.31Å; L257-C259 PolarHBondContact O-N 3.04Å; L257-L260 HydrophobicContact CD2-CD1 3.85Å; L257-L260 VanDerWaalsContact O-CB 3.31Å; L257-L260 WeakPolarHBondContact O-CB 3.18Å; L257-L260 PolarHBondContact O-N 3.02Å; L257-V275 HydrophobicContact CD2-CG2 4.15Å; L257-C292 HydrophobicContact CD1-CB 3.83Å; L257-C292 WeakPolarHBondContact CD1-O 3.32Å; L257-A297 HydrophobicContact CB-CB 4.15Å; L257-A297 HydrophobicContact CD2-CB 4.36Å |
| 258 | V | 97 | Very high | 96.8 | Very high | 109 Ų | 109 | 54.8 Ų | 54.8 | 66% | 0.661 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -63.3 | -35.2 | 174.2 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | P254 A255 A256 L260 K261 | P254-V258 PolarHBondContact O-N 3.43Å; A255-V258 WeakPolarHBondContact O-CB 3.35Å; A255-V258 PolarHBondContact O-N 2.87Å; A256-V258 PolarHBondContact O-N 3.4Å; V258-L260 PolarHBondContact O-N 3.18Å; V258-K261 PolarHBondContact O-N 3.45Å; V258-K261 VanDerWaalsContact O-N 3.13Å |
| 259 | C | 97.5 | Very high | 96.7 | Very high | 11 Ų | 11 | 58.4 Ų | 58.4 | 7% | 0.074 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -70.8 | -7.8 | 177.8 | -65 | 0 | 0 | 0 | 0 | 114.3 | F230 A256 L257 K261 D262 V267 C271 | F230-C259 HydrophobicContact CE2-CB 3.66Å; F230-C259 HydrophobicContact CZ-CB 3.53Å; A256-C259 WeakPolarHBondContact O-CA 3.48Å; A256-C259 WeakPolarHBondContact O-CB 3.48Å; A256-C259 PolarHBondContact O-N 3.13Å; L257-C259 PolarHBondContact O-N 3.04Å; C259-K261 PolarHBondContact O-N 3.37Å; C259-D262 WeakPolarHBondContact O-CB 3.25Å; C259-D262 PolarHBondContact O-N 3.2Å; C259-V267 HydrophobicContact CB-CG1 4.16Å; C259-C271 HydrophobicContact CB-CB 4.28Å |
| 260 | L | 96.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -64.9 | -21.2 | 167.9 | -67.9 | 174 | 0 | 0 | 0 | 112.2 | L257 V258 R268 C271 A297 I298 Q301 | L257-L260 HydrophobicContact CD2-CD1 3.85Å; L257-L260 VanDerWaalsContact O-CB 3.31Å; L257-L260 WeakPolarHBondContact O-CB 3.18Å; L257-L260 PolarHBondContact O-N 3.02Å; V258-L260 PolarHBondContact O-N 3.18Å; L260-R268 WeakPolarHBondContact O-CD 3.45Å; L260-R268 WeakPolarHBondContact O-CG 3.3Å; L260-C271 HydrophobicContact CD2-CB 4.28Å; L260-A297 HydrophobicContact CD1-CB 3.89Å; L260-I298 HydrophobicContact CD1-CG1 4.16Å; L260-Q301 HydrophobicContact CB-CB 4.18Å; L260-Q301 HydrophobicContact CB-CG 4.1Å; L260-Q301 HydrophobicContact CD2-CG 4.48Å; L260-Q301 WeakPolarHBondContact O-CG 3.36Å |
| 261 | K | 94.5 | Very high | 96.7 | Very high | 122 Ų | 122 | 51.7 Ų | 51.7 | 53% | 0.53 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -108.4 | 18 | 173.1 | -52 | -162.1 | -161.4 | -153.8 | 0 | 113.7 | V258 C259 D300 | V258-K261 PolarHBondContact O-N 3.45Å; V258-K261 VanDerWaalsContact O-N 3.13Å; C259-K261 PolarHBondContact O-N 3.37Å; K261-D300 WeakPolarHBondContact CD-OD2 3.48Å; K261-D300 VanDerWaalsContact CE-CG 3.46Å; K261-D300 WeakPolarHBondContact CE-OD2 3.43Å; K261-D300 IonicContact NZ-OD1 2.85Å; K261-D300 PolarHBondContact NZ-OD1 3.36Å; K261-D300 IonicContact NZ-OD2 2.57Å; K261-D300 PolarHBondContact NZ-OD2 2.98Å |
| 262 | D | 95.1 | Very high | 96.7 | Very high | 18 Ų | 18 | 43.5 Ų | 43.5 | 10% | 0.096 | 23% | 0.231 | C | C | . | . | trans | -56.3 | 149.3 | 178 | -161.3 | -79.1 | 0 | 0 | 0 | 110.8 | K226 C259 D264 V267 R268 | K226-D262 IonicContact NZ-OD2 2.7Å; K226-D262 PolarHBondContact NZ-OD2 3.01Å; C259-D262 WeakPolarHBondContact O-CB 3.25Å; C259-D262 PolarHBondContact O-N 3.2Å; D262-D264 PolarHBondContact O-N 3.3Å; D262-D264 VanDerWaalsContact OD1-CB 3.32Å; D262-D264 WeakPolarHBondContact OD1-CB 3.38Å; D262-D264 PolarHBondContact OD1-N 3.32Å; D262-V267 HydrophobicContact CB-CB 4.04Å; D262-V267 HydrophobicContact CB-CG1 3.69Å; D262-R268 HydrophobicContact CB-CG 4.1Å; D262-R268 WeakPolarHBondContact O-CD 3.5Å; D262-R268 VanDerWaalsContact O-CG 3.25Å; D262-R268 WeakPolarHBondContact O-CG 3.48Å; D262-R268 PolarHBondContact O-NH1 2.66Å | ||
| 263 | V | 93.6 | Very high | 96.8 | Very high | 134 Ų | 134 | 45 Ų | 45 | 81% | 0.812 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -64.1 | -29.4 | 176.4 | -64.7 | 0 | 0 | 0 | 0 | 111.9 | R268 | V263-R268 PolarHBondContact O-NH1 2.86Š|
| 264 | D | 95.5 | Very high | 96.8 | Very high | 22 Ų | 22 | 43.9 Ų | 43.9 | 12% | 0.118 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -82.5 | 117.9 | 180 | -170.5 | -70.7 | 0 | 0 | 0 | 111.9 | R227 D262 I266 V267 R268 | R227-D264 IonicContact CZ-OD1 3.37Å; R227-D264 IonicContact CZ-OD2 2.63Å; R227-D264 VanDerWaalsContact NE-CG 3.31Å; R227-D264 IonicContact NE-OD1 3.41Å; R227-D264 PolarHBondContact NE-OD1 3.47Å; R227-D264 IonicContact NE-OD2 3.63Å; R227-D264 PolarHBondContact NE-OD2 2.64Å; R227-D264 IonicContact NH2-OD1 3.87Å; R227-D264 PolarHBondContact NH2-OD1 2.88Å; R227-D264 IonicContact NH2-OD2 2.89Å; R227-D264 PolarHBondContact NH2-OD2 3.14Å; D262-D264 PolarHBondContact O-N 3.3Å; D262-D264 VanDerWaalsContact OD1-CB 3.32Å; D262-D264 WeakPolarHBondContact OD1-CB 3.38Å; D262-D264 PolarHBondContact OD1-N 3.32Å; D264-I266 VanDerWaalsContact C-N 3.29Å; D264-I266 PolarHBondContact O-N 2.86Å; D264-I266 WeakPolarHBondContact OD1-CB 3.2Å; D264-I266 PolarHBondContact OD1-N 3Å; D264-V267 HydrophobicContact CB-CB 3.97Å; D264-V267 HydrophobicContact CB-CG2 3.69Å; D264-V267 WeakPolarHBondContact O-CB 3.47Å; D264-V267 PolarHBondContact O-N 3.31Å; D264-V267 PolarHBondContact OD1-N 3.1Å; D264-R268 PolarHBondContact O-N 3.39Å |
| 265 | E | 94.6 | Very high | 96.9 | Very high | 111 Ų | 111 | 40 Ų | 40 | 52% | 0.519 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.2 | -35.1 | -176.7 | -171.9 | 179.7 | 162.3 | 0 | 0 | 113.7 | R268 K269 T309 | E265-R268 PolarHBondContact O-N 3.25Å; E265-K269 WeakPolarHBondContact O-CB 3.5Å; E265-K269 PolarHBondContact O-N 3.46Å; E265-T309 HydrophobicContact CG-CG2 3.46Å; E265-T309 VanDerWaalsContact CG-CG2 3.46Å; E265-T309 WeakPolarHBondContact OE1-CG2 3.47Å |
| 266 | I | 96.3 | Very high | 97 | Very high | 71 Ų | 71 | 40 Ų | 40 | 36% | 0.364 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -75.3 | -35.6 | -179.7 | -53.8 | -169.8 | 0 | 0 | 0 | 110 | R227 D264 K269 N270 | R227-I266 HydrophobicContact CB-CG2 4.2Å; R227-I266 HydrophobicContact CG-CB 3.8Å; R227-I266 HydrophobicContact CG-CG2 3.72Å; D264-I266 VanDerWaalsContact C-N 3.29Å; D264-I266 PolarHBondContact O-N 2.86Å; D264-I266 WeakPolarHBondContact OD1-CB 3.2Å; D264-I266 PolarHBondContact OD1-N 3Å; I266-K269 PolarHBondContact O-N 3.21Å; I266-N270 WeakPolarHBondContact O-CB 3.25Å; I266-N270 PolarHBondContact O-N 3.03Å |
| 267 | V | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.9 | -50 | 170.6 | 176 | 0 | 0 | 0 | 0 | 110.1 | S223 K226 R227 F230 C259 D262 D264 K269 N270 C271 | S223-V267 WeakPolarHBondContact O-CG2 3.48Å; K226-V267 HydrophobicContact CB-CG1 4.13Å; K226-V267 HydrophobicContact CB-CG2 3.79Å; K226-V267 HydrophobicContact CD-CG1 4.45Å; R227-V267 HydrophobicContact CG-CG2 3.74Å; F230-V267 HydrophobicContact CD2-CG1 3.94Å; F230-V267 HydrophobicContact CE2-CG1 3.86Å; C259-V267 HydrophobicContact CB-CG1 4.16Å; D262-V267 HydrophobicContact CB-CB 4.04Å; D262-V267 HydrophobicContact CB-CG1 3.69Å; D264-V267 HydrophobicContact CB-CB 3.97Å; D264-V267 HydrophobicContact CB-CG2 3.69Å; D264-V267 WeakPolarHBondContact O-CB 3.47Å; D264-V267 PolarHBondContact O-N 3.31Å; D264-V267 PolarHBondContact OD1-N 3.1Å; V267-K269 VanDerWaalsContact C-N 3.33Å; V267-K269 PolarHBondContact O-N 2.76Å; V267-N270 PolarHBondContact O-N 3.13Å; V267-C271 VanDerWaalsContact O-CB 3.22Å; V267-C271 WeakPolarHBondContact O-CB 3.44Å; V267-C271 PolarHBondContact O-N 3.32Å |
| 268 | R | 95.9 | Very high | 97.1 | Very high | 49 Ų | 49 | 40.7 Ų | 40.7 | 19% | 0.185 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.1 | -46.6 | 176.5 | -65.3 | -166 | -61 | -87.3 | 3.7 | 111.9 | L260 D262 V263 D264 E265 G272 | L260-R268 WeakPolarHBondContact O-CD 3.45Å; L260-R268 WeakPolarHBondContact O-CG 3.3Å; D262-R268 HydrophobicContact CB-CG 4.1Å; D262-R268 WeakPolarHBondContact O-CD 3.5Å; D262-R268 VanDerWaalsContact O-CG 3.25Å; D262-R268 WeakPolarHBondContact O-CG 3.48Å; D262-R268 PolarHBondContact O-NH1 2.66Å; V263-R268 PolarHBondContact O-NH1 2.86Å; D264-R268 PolarHBondContact O-N 3.39Å; E265-R268 PolarHBondContact O-N 3.25Å; R268-G272 PolarHBondContact O-N 3.05Å |
| 269 | K | 96.4 | Very high | 97.2 | Very high | 90 Ų | 90 | 35.5 Ų | 35.5 | 39% | 0.391 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.5 | -47.9 | 179.4 | -177.3 | -178.4 | 177 | -178.9 | 0 | 112.3 | E265 I266 V267 G272 N273 | E265-K269 WeakPolarHBondContact O-CB 3.5Å; E265-K269 PolarHBondContact O-N 3.46Å; I266-K269 PolarHBondContact O-N 3.21Å; V267-K269 VanDerWaalsContact C-N 3.33Å; V267-K269 PolarHBondContact O-N 2.76Å; K269-G272 PolarHBondContact O-N 3.35Å; K269-N273 PolarHBondContact O-N 3.3Å; K269-N273 PolarHBondContact O-ND2 3.22Å |
| 270 | N | 98.3 | Very high | 97.2 | Very high | 26 Ų | 26 | 37.6 Ų | 37.6 | 14% | 0.139 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -71.4 | -37.4 | -177.6 | -70.8 | -5.3 | 0 | 0 | 0 | 111.6 | R227 F230 I266 V267 N273 L274 | R227-N270 PolarHBondContact O-ND2 3.37Å; F230-N270 HydrophobicContact CB-CB 3.63Å; I266-N270 WeakPolarHBondContact O-CB 3.25Å; I266-N270 PolarHBondContact O-N 3.03Å; V267-N270 PolarHBondContact O-N 3.13Å; N270-N273 WeakPolarHBondContact O-CB 3.44Å; N270-N273 PolarHBondContact O-N 2.67Å; N270-L274 PolarHBondContact O-N 3Å |
| 271 | C | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.9 | -45 | 170.6 | -178.7 | 0 | 0 | 0 | 0 | 111.5 | F230 A256 C259 L260 V267 N273 L274 V275 | F230-C271 HydrophobicContact CD1-CB 4.03Å; F230-C271 HydrophobicContact CD2-CB 4.3Å; F230-C271 HydrophobicContact CE1-CB 4.06Å; F230-C271 HydrophobicContact CE2-CB 4.33Å; F230-C271 HydrophobicContact CG-CB 4.15Å; F230-C271 HydrophobicContact CZ-CB 4.2Å; A256-C271 PolarHBondContact O-SG 3.22Å; C259-C271 HydrophobicContact CB-CB 4.28Å; L260-C271 HydrophobicContact CD2-CB 4.28Å; V267-C271 VanDerWaalsContact O-CB 3.22Å; V267-C271 WeakPolarHBondContact O-CB 3.44Å; V267-C271 PolarHBondContact O-N 3.32Å; C271-N273 VanDerWaalsContact C-N 3.29Å; C271-N273 PolarHBondContact O-N 3.36Å; C271-L274 WeakPolarHBondContact O-CB 3.47Å; C271-L274 PolarHBondContact O-N 3.48Å; C271-V275 WeakPolarHBondContact O-CG2 3.31Å; C271-V275 PolarHBondContact O-N 3.25Å |
| 272 | G | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.4 | -39.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R268 K269 V275 K276 P312 | R268-G272 PolarHBondContact O-N 3.05Å; K269-G272 PolarHBondContact O-N 3.35Å; G272-V275 PolarHBondContact O-N 3.46Å; G272-K276 VanDerWaalsContact O-CB 3.32Å; G272-K276 WeakPolarHBondContact O-CB 3.17Å; G272-K276 PolarHBondContact O-N 2.81Å; G272-P312 VanDerWaalsContact O-CB 3.29Å; G272-P312 WeakPolarHBondContact O-CB 3.2Å |
| 273 | N | 98.7 | Very high | 97.7 | Very high | 36 Ų | 36 | 36.2 Ų | 36.2 | 19% | 0.193 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62 | -47.4 | 172.7 | -80.5 | -40.4 | 0 | 0 | 0 | 111.3 | S234 K269 N270 C271 V275 K276 E277 P312 | S234-N273 WeakPolarHBondContact OG-CB 3.11Å; K269-N273 PolarHBondContact O-N 3.3Å; K269-N273 PolarHBondContact O-ND2 3.22Å; N270-N273 WeakPolarHBondContact O-CB 3.44Å; N270-N273 PolarHBondContact O-N 2.67Å; C271-N273 VanDerWaalsContact C-N 3.29Å; C271-N273 PolarHBondContact O-N 3.36Å; N273-V275 VanDerWaalsContact C-N 3.34Å; N273-V275 PolarHBondContact O-N 2.93Å; N273-K276 WeakPolarHBondContact O-CB 3.47Å; N273-K276 PolarHBondContact O-N 3.18Å; N273-K276 VanDerWaalsContact O-N 3.15Å; N273-E277 WeakPolarHBondContact O-CB 3.45Å; N273-E277 VanDerWaalsContact O-CG 3.25Å; N273-E277 WeakPolarHBondContact O-CG 3.39Å; N273-E277 PolarHBondContact O-N 3.12Å; N273-P312 WeakPolarHBondContact OD1-CG 3.29Å |
| 274 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54.4 | -50.1 | 176.6 | 173.6 | 57.6 | 0 | 0 | 0 | 111.8 | F230 L233 S234 A237 V247 I252 N270 C271 K276 E277 I278 | F230-L274 HydrophobicContact CD1-CD2 3.75Å; F230-L274 HydrophobicContact CE1-CD2 4.13Å; L233-L274 HydrophobicContact CB-CD1 4.02Å; L233-L274 HydrophobicContact CB-CD2 3.94Å; L233-L274 HydrophobicContact CD1-CD2 4.28Å; S234-L274 PolarHBondContact OG-N 3.36Å; A237-L274 HydrophobicContact CB-CD1 4.11Å; V247-L274 HydrophobicContact CG1-CD1 3.93Å; I252-L274 HydrophobicContact CD1-CD2 3.63Å; I252-L274 HydrophobicContact CD1-CG 4.42Å; N270-L274 PolarHBondContact O-N 3Å; C271-L274 WeakPolarHBondContact O-CB 3.47Å; C271-L274 PolarHBondContact O-N 3.48Å; L274-K276 VanDerWaalsContact C-N 3.34Å; L274-K276 PolarHBondContact O-N 3.38Å; L274-E277 PolarHBondContact O-N 3.42Å; L274-I278 HydrophobicContact CD1-CD1 3.65Å; L274-I278 HydrophobicContact CD1-CG1 4.17Å; L274-I278 HydrophobicContact CG-CD1 4Å; L274-I278 WeakPolarHBondContact O-CG1 3.09Å; L274-I278 PolarHBondContact O-N 2.95Å |
| 275 | V | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.3 | -47.4 | 177.4 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | F253 L257 C271 G272 N273 E277 I278 V279 I289 I298 | F253-V275 HydrophobicContact CE1-CG2 4.15Å; F253-V275 HydrophobicContact CZ-CG2 4.31Å; L257-V275 HydrophobicContact CD2-CG2 4.15Å; C271-V275 WeakPolarHBondContact O-CG2 3.31Å; C271-V275 PolarHBondContact O-N 3.25Å; G272-V275 PolarHBondContact O-N 3.46Å; N273-V275 VanDerWaalsContact C-N 3.34Å; N273-V275 PolarHBondContact O-N 2.93Å; V275-E277 PolarHBondContact O-N 3.18Å; V275-I278 PolarHBondContact O-N 3.41Å; V275-V279 HydrophobicContact CG1-CG1 4.36Å; V275-V279 WeakPolarHBondContact O-CG1 3.34Å; V275-V279 WeakPolarHBondContact O-CG2 3.43Å; V275-V279 PolarHBondContact O-N 3.36Å; V275-I289 HydrophobicContact CG1-CG2 4.1Å; V275-I298 HydrophobicContact CG1-CD1 3.86Å; V275-I298 HydrophobicContact CG1-CG1 4.35Å |
| 276 | K | 98.8 | Very high | 98.3 | Very high | 26 Ų | 26 | 30 Ų | 30 | 11% | 0.113 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.9 | -44.7 | 177.5 | -176.1 | -149.1 | 72.5 | -169.8 | 0 | 112.5 | G272 N273 L274 I278 K280 P312 M315 S316 Y319 | G272-K276 VanDerWaalsContact O-CB 3.32Å; G272-K276 WeakPolarHBondContact O-CB 3.17Å; G272-K276 PolarHBondContact O-N 2.81Å; N273-K276 WeakPolarHBondContact O-CB 3.47Å; N273-K276 PolarHBondContact O-N 3.18Å; N273-K276 VanDerWaalsContact O-N 3.15Å; L274-K276 VanDerWaalsContact C-N 3.34Å; L274-K276 PolarHBondContact O-N 3.38Å; K276-I278 VanDerWaalsContact C-N 3.29Å; K276-I278 PolarHBondContact O-N 2.9Å; K276-K280 WeakPolarHBondContact O-CB 3.24Å; K276-K280 PolarHBondContact O-N 2.9Å; K276-P312 HydrophobicContact CB-CB 4.29Å; K276-M315 HydrophobicContact CD-CB 3.9Å; K276-M315 HydrophobicContact CD-CE 4.07Å; K276-M315 HydrophobicContact CD-CG 4.5Å; K276-M315 HydrophobicContact CD-SD 3.82Å; K276-M315 HydrophobicContact CG-CB 3.8Å; K276-S316 VanDerWaalsContact CA-OG 3.24Å; K276-S316 WeakPolarHBondContact CA-OG 3.34Å; K276-S316 WeakPolarHBondContact CB-OG 3.37Å; K276-S316 PolarHBondContact N-OG 3.15Å; K276-Y319 HydrophobicContact CG-CD2 4.21Å; K276-Y319 HydrophobicContact CG-CE2 4.07Å |
| 277 | E | 98.8 | Very high | 98.4 | Very high | 26 Ų | 26 | 29.8 Ų | 29.8 | 12% | 0.121 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.7 | -28 | 179.9 | -64.6 | -53.9 | 155.8 | 0 | 0 | 112.4 | A237 K238 N273 L274 V275 K280 H281 | A237-E277 HydrophobicContact CB-CB 4.35Å; K238-E277 HydrophobicContact CB-CB 4.19Å; K238-E277 VanDerWaalsContact CB-CD 3.48Å; K238-E277 HydrophobicContact CB-CG 3.77Å; K238-E277 WeakPolarHBondContact CB-OE2 3.11Å; N273-E277 WeakPolarHBondContact O-CB 3.45Å; N273-E277 VanDerWaalsContact O-CG 3.25Å; N273-E277 WeakPolarHBondContact O-CG 3.39Å; N273-E277 PolarHBondContact O-N 3.12Å; L274-E277 PolarHBondContact O-N 3.42Å; V275-E277 PolarHBondContact O-N 3.18Å; E277-K280 WeakPolarHBondContact O-CG 2.79Å; E277-K280 WeakPolarHBondContact OE2-CD 3.49Å; E277-K280 WeakPolarHBondContact OE2-CE 3.41Å; E277-K280 IonicContact OE2-NZ 2.65Å; E277-H281 PolarHBondContact O-CD2 2.84Å; E277-H281 PolarHBondContact O-NE2 3.13Å |
| 278 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -76.5 | -53.6 | 174.8 | -69.6 | 166.5 | 0 | 0 | 0 | 110.8 | A237 V247 V248 F253 L274 V275 K276 K280 H281 L285 I289 | A237-I278 HydrophobicContact CB-CG1 4.13Å; V247-I278 HydrophobicContact CG1-CD1 4.43Å; V248-I278 HydrophobicContact CG2-CD1 3.78Å; V248-I278 HydrophobicContact CG2-CG1 4.24Å; V248-I278 HydrophobicContact CG2-CG2 3.87Å; F253-I278 HydrophobicContact CE2-CD1 3.65Å; F253-I278 HydrophobicContact CZ-CD1 3.85Å; L274-I278 HydrophobicContact CD1-CD1 3.65Å; L274-I278 HydrophobicContact CD1-CG1 4.17Å; L274-I278 HydrophobicContact CG-CD1 4Å; L274-I278 WeakPolarHBondContact O-CG1 3.09Å; L274-I278 PolarHBondContact O-N 2.95Å; V275-I278 PolarHBondContact O-N 3.41Å; K276-I278 VanDerWaalsContact C-N 3.29Å; K276-I278 PolarHBondContact O-N 2.9Å; I278-K280 PolarHBondContact O-N 3.36Å; I278-H281 PolarHBondContact O-N 2.97Å; I278-L285 HydrophobicContact CG2-CB 4.05Å; I278-L285 HydrophobicContact CG2-CD2 4.29Å; I278-I289 HydrophobicContact CG2-CD1 4.11Å; I278-I289 HydrophobicContact CG2-CG1 3.88Å |
| 279 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.4 | -17.4 | -172.4 | -56.7 | 0 | 0 | 0 | 0 | 113.4 | V275 H281 S286 I289 I320 H323 | V275-V279 HydrophobicContact CG1-CG1 4.36Å; V275-V279 WeakPolarHBondContact O-CG1 3.34Å; V275-V279 WeakPolarHBondContact O-CG2 3.43Å; V275-V279 PolarHBondContact O-N 3.36Å; V279-H281 PolarHBondContact O-N 2.61Å; V279-S286 PolarHBondContact O-OG 2.85Å; V279-I289 HydrophobicContact CG1-CB 3.8Å; V279-I289 HydrophobicContact CG1-CG1 3.68Å; V279-I289 HydrophobicContact CG1-CG2 3.92Å; V279-I320 HydrophobicContact CB-CD1 4.43Å; V279-I320 HydrophobicContact CB-CG1 3.83Å; V279-I320 HydrophobicContact CG1-CD1 4.15Å; V279-I320 HydrophobicContact CG1-CG1 4.02Å; V279-I320 HydrophobicContact CG2-CD1 4.49Å; V279-I320 HydrophobicContact CG2-CG1 4.07Å; V279-H323 PolarHBondContact O-NE2 3.31Å |
| 280 | K | 98.7 | Very high | 98.7 | Very high | 56 Ų | 56 | 27.4 Ų | 27.4 | 24% | 0.243 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -21.9 | 178 | 73 | 176.5 | 177.7 | 70.6 | 0 | 114 | K238 K276 E277 I278 Y319 | K238-K280 WeakPolarHBondContact O-CE 3.27Å; K238-K280 PolarHBondContact O-NZ 3.04Å; K276-K280 WeakPolarHBondContact O-CB 3.24Å; K276-K280 PolarHBondContact O-N 2.9Å; E277-K280 WeakPolarHBondContact O-CG 2.79Å; E277-K280 WeakPolarHBondContact OE2-CD 3.49Å; E277-K280 WeakPolarHBondContact OE2-CE 3.41Å; E277-K280 IonicContact OE2-NZ 2.65Å; I278-K280 PolarHBondContact O-N 3.36Å; K280-Y319 HydrophobicContact CB-CD1 3.83Å; K280-Y319 HydrophobicContact CB-CD2 3.71Å; K280-Y319 HydrophobicContact CB-CE1 3.92Å; K280-Y319 HydrophobicContact CB-CE2 3.79Å; K280-Y319 HydrophobicContact CB-CG 3.75Å |
| 281 | H | 98.6 | Very high | 98.7 | Very high | 38 Ų | 38 | 31.8 Ų | 31.8 | 18% | 0.176 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -61.8 | -166.5 | -77.5 | -62.4 | 0 | 0 | 0 | 113.1 | A237 S240 V241 E277 I278 V279 L285 | A237-H281 PolarHBondContact O-NE2 3.43Å; S240-H281 PolarHBondContact O-CE1 2.96Å; S240-H281 VanDerWaalsContact O-CE1 3.31Å; S240-H281 PolarHBondContact O-NE2 3.45Å; S240-H281 VanDerWaalsContact O-NE2 3.1Å; V241-H281 HydrophobicContact CG2-CB 4.19Å; E277-H281 PolarHBondContact O-CD2 2.84Å; E277-H281 PolarHBondContact O-NE2 3.13Å; I278-H281 PolarHBondContact O-N 2.97Å; V279-H281 PolarHBondContact O-N 2.61Å; H281-L285 HydrophobicContact CB-CD1 3.86Å |
| 282 | T | 98.7 | Very high | 98.7 | Very high | 22 Ų | 22 | 34 Ų | 34 | 14% | 0.135 | 18% | 0.177 | C | C | . | . | trans | -137.4 | 156.8 | -172.9 | 68.2 | 0 | 0 | 0 | 0 | 112.7 | V241 E284 L285 S286 H323 | V241-T282 HydrophobicContact CG1-CG2 3.68Å; V241-T282 HydrophobicContact CG2-CG2 3.97Å; T282-E284 WeakPolarHBondContact CB-OE2 2.71Å; T282-E284 PolarHBondContact O-N 3.39Å; T282-L285 WeakPolarHBondContact OG1-CB 3.35Å; T282-L285 WeakPolarHBondContact OG1-CG 3.48Å; T282-L285 PolarHBondContact OG1-N 2.93Å; T282-L285 VanDerWaalsContact OG1-N 3.13Å; T282-S286 WeakPolarHBondContact O-CB 3.42Å; T282-S286 PolarHBondContact O-N 3.47Å; T282-S286 PolarHBondContact O-OG 2.99Å; T282-S286 VanDerWaalsContact O-OG 3.09Å; T282-H323 PolarHBondContact O-NE2 3.41Å | ||
| 283 | P | 98.6 | Very high | 98.6 | Very high | 51 Ų | 51 | 35.7 Ų | 35.7 | 33% | 0.331 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.6 | -34.3 | 170.4 | 16.8 | -25.1 | 0 | 0 | 0 | 112.5 | S286 Q287 H323 L327 | P283-S286 PolarHBondContact O-N 3.36Å; P283-Q287 VanDerWaalsContact O-CB 3.24Å; P283-Q287 WeakPolarHBondContact O-CB 3.3Å; P283-Q287 PolarHBondContact O-N 3.05Å; P283-H323 HydrophobicContact CB-CB 4.05Å; P283-L327 HydrophobicContact CB-CD1 4.5Å |
| 284 | E | 98.7 | Very high | 98.6 | Very high | 129 Ų | 129 | 34 Ų | 34 | 60% | 0.603 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -66.1 | -48.3 | -179.8 | -64.4 | 69.7 | -150.8 | 0 | 0 | 111.2 | T282 S286 Q287 L288 | T282-E284 WeakPolarHBondContact CB-OE2 2.71Å; T282-E284 PolarHBondContact O-N 3.39Å; E284-S286 VanDerWaalsContact C-N 3.33Å; E284-S286 PolarHBondContact O-N 3.23Å; E284-Q287 PolarHBondContact O-N 3.16Å; E284-L288 PolarHBondContact O-N 3.09Å |
| 285 | L | 98.8 | Very high | 98.6 | Very high | 8 Ų | 8 | 34.2 Ų | 34.2 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.1 | -41.3 | 175.3 | -73.7 | 173.7 | 0 | 0 | 0 | 111.2 | V241 A244 E245 V248 I278 H281 T282 L288 I289 | V241-L285 HydrophobicContact CG1-CD1 4.33Å; A244-L285 HydrophobicContact CB-CD1 3.89Å; E245-L285 HydrophobicContact CG-CD1 4.4Å; E245-L285 HydrophobicContact CG-CD2 4.02Å; E245-L285 HydrophobicContact CG-CG 4.47Å; V248-L285 HydrophobicContact CG2-CD2 4.15Å; I278-L285 HydrophobicContact CG2-CB 4.05Å; I278-L285 HydrophobicContact CG2-CD2 4.29Å; H281-L285 HydrophobicContact CB-CD1 3.86Å; T282-L285 WeakPolarHBondContact OG1-CB 3.35Å; T282-L285 WeakPolarHBondContact OG1-CG 3.48Å; T282-L285 PolarHBondContact OG1-N 2.93Å; T282-L285 VanDerWaalsContact OG1-N 3.13Å; L285-L288 PolarHBondContact O-N 3.47Å; L285-I289 WeakPolarHBondContact O-CG1 3.45Å; L285-I289 PolarHBondContact O-N 2.79Å; L285-I289 VanDerWaalsContact O-N 3.16Å |
| 286 | S | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.3 | -48.7 | 173.1 | -67.2 | 0 | 0 | 0 | 0 | 111.5 | V279 T282 P283 E284 L288 I289 V290 H323 | V279-S286 PolarHBondContact O-OG 2.85Å; T282-S286 WeakPolarHBondContact O-CB 3.42Å; T282-S286 PolarHBondContact O-N 3.47Å; T282-S286 PolarHBondContact O-OG 2.99Å; T282-S286 VanDerWaalsContact O-OG 3.09Å; P283-S286 PolarHBondContact O-N 3.36Å; E284-S286 VanDerWaalsContact C-N 3.33Å; E284-S286 PolarHBondContact O-N 3.23Å; S286-L288 VanDerWaalsContact C-N 3.29Å; S286-L288 PolarHBondContact O-N 3.34Å; S286-I289 PolarHBondContact O-N 3.21Å; S286-V290 VanDerWaalsContact O-CG2 3.3Å; S286-V290 WeakPolarHBondContact O-CG2 3.4Å; S286-V290 PolarHBondContact O-N 2.85Å; S286-H323 PolarHBondContact OG-CD2 3.4Å; S286-H323 PolarHBondContact OG-NE2 3.42Å |
| 287 | Q | 98.8 | Very high | 98.6 | Very high | 66 Ų | 66 | 36.6 Ų | 36.6 | 31% | 0.308 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.9 | -38.5 | -179.4 | -173.7 | 62.2 | 64.4 | 0 | 0 | 111.7 | P283 E284 V290 N291 L327 | P283-Q287 VanDerWaalsContact O-CB 3.24Å; P283-Q287 WeakPolarHBondContact O-CB 3.3Å; P283-Q287 PolarHBondContact O-N 3.05Å; E284-Q287 PolarHBondContact O-N 3.16Å; Q287-V290 PolarHBondContact O-N 2.99Å; Q287-N291 PolarHBondContact NE2-OD1 2.91Å; Q287-N291 WeakPolarHBondContact O-CB 3.24Å; Q287-N291 PolarHBondContact O-N 2.83Å; Q287-N291 PolarHBondContact O-ND2 2.84Å; Q287-N291 PolarHBondContact O-OD1 3.3Å; Q287-L327 HydrophobicContact CB-CD2 4.49Å |
| 288 | L | 98.6 | Very high | 98.6 | Very high | 64 Ų | 64 | 35.4 Ų | 35.4 | 34% | 0.335 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.3 | -49.9 | 174.5 | -173.7 | 153.1 | 0 | 0 | 0 | 111.2 | V248 E284 L285 S286 V290 N291 C292 | V248-L288 HydrophobicContact CG1-CD1 3.44Å; V248-L288 VanDerWaalsContact CG1-CD1 3.44Å; V248-L288 HydrophobicContact CG1-CD2 3.49Å; V248-L288 VanDerWaalsContact CG1-CD2 3.49Å; V248-L288 HydrophobicContact CG1-CG 4.1Å; E284-L288 PolarHBondContact O-N 3.09Å; L285-L288 PolarHBondContact O-N 3.47Å; S286-L288 VanDerWaalsContact C-N 3.29Å; S286-L288 PolarHBondContact O-N 3.34Å; L288-V290 VanDerWaalsContact C-N 3.28Å; L288-V290 PolarHBondContact O-N 3.33Å; L288-N291 WeakPolarHBondContact O-CB 3.27Å; L288-N291 PolarHBondContact O-N 3.2Å; L288-N291 VanDerWaalsContact O-N 3.12Å; L288-C292 PolarHBondContact O-N 2.87Å; L288-C292 PolarHBondContact O-SG 3.44Å; L288-C292 VanDerWaalsContact O-SG 3.36Å |
| 289 | I | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.6 | -39.6 | 176.9 | -61.7 | -54.6 | 0 | 0 | 0 | 111.4 | F253 V275 I278 V279 L285 S286 C292 G294 | F253-I289 HydrophobicContact CD1-CD1 4.06Å; F253-I289 HydrophobicContact CD2-CD1 3.62Å; F253-I289 HydrophobicContact CE1-CD1 3.73Å; F253-I289 HydrophobicContact CE2-CD1 3.28Å; F253-I289 HydrophobicContact CG-CD1 4.02Å; F253-I289 HydrophobicContact CZ-CD1 3.33Å; V275-I289 HydrophobicContact CG1-CG2 4.1Å; I278-I289 HydrophobicContact CG2-CD1 4.11Å; I278-I289 HydrophobicContact CG2-CG1 3.88Å; V279-I289 HydrophobicContact CG1-CB 3.8Å; V279-I289 HydrophobicContact CG1-CG1 3.68Å; V279-I289 HydrophobicContact CG1-CG2 3.92Å; L285-I289 WeakPolarHBondContact O-CG1 3.45Å; L285-I289 PolarHBondContact O-N 2.79Å; L285-I289 VanDerWaalsContact O-N 3.16Å; S286-I289 PolarHBondContact O-N 3.21Å; I289-C292 PolarHBondContact O-N 3.36Å; I289-G294 VanDerWaalsContact O-CA 3.27Å; I289-G294 WeakPolarHBondContact O-CA 3.46Å; I289-G294 PolarHBondContact O-N 2.86Å |
| 290 | V | 98.6 | Very high | 98.4 | Very high | 25 Ų | 25 | 38.6 Ų | 38.6 | 15% | 0.152 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.8 | -45.2 | 174.3 | 175 | 0 | 0 | 0 | 0 | 111.2 | S286 Q287 L288 C292 G293 I295 I320 L327 A330 | S286-V290 VanDerWaalsContact O-CG2 3.3Å; S286-V290 WeakPolarHBondContact O-CG2 3.4Å; S286-V290 PolarHBondContact O-N 2.85Å; Q287-V290 PolarHBondContact O-N 2.99Å; L288-V290 VanDerWaalsContact C-N 3.28Å; L288-V290 PolarHBondContact O-N 3.33Å; V290-C292 PolarHBondContact O-N 2.96Å; V290-G293 PolarHBondContact O-N 3.33Å; V290-I295 HydrophobicContact CB-CD1 4.35Å; V290-I295 HydrophobicContact CB-CG1 4.4Å; V290-I295 HydrophobicContact CG1-CD1 3.81Å; V290-I295 HydrophobicContact CG1-CG1 4.22Å; V290-I295 HydrophobicContact CG2-CD1 3.65Å; V290-I295 HydrophobicContact CG2-CG1 3.71Å; V290-I320 HydrophobicContact CG2-CD1 4.46Å; V290-I320 HydrophobicContact CG2-CG2 3.98Å; V290-L327 HydrophobicContact CB-CD2 4.4Å; V290-L327 HydrophobicContact CG2-CD2 3.78Å; V290-A330 HydrophobicContact CG1-CB 4.39Å |
| 291 | N | 98.3 | Very high | 98.2 | Very high | 118 Ų | 118 | 36.1 Ų | 36.1 | 63% | 0.631 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -63 | -29.7 | 179.3 | -69.1 | -12.2 | 0 | 0 | 0 | 112.5 | Q287 L288 G293 | Q287-N291 PolarHBondContact NE2-OD1 2.91Å; Q287-N291 WeakPolarHBondContact O-CB 3.24Å; Q287-N291 PolarHBondContact O-N 2.83Å; Q287-N291 PolarHBondContact O-ND2 2.84Å; Q287-N291 PolarHBondContact O-OD1 3.3Å; L288-N291 WeakPolarHBondContact O-CB 3.27Å; L288-N291 PolarHBondContact O-N 3.2Å; L288-N291 VanDerWaalsContact O-N 3.12Å; N291-G293 PolarHBondContact O-N 3.3Å |
| 292 | C | 98 | Very high | 98.1 | Very high | 46 Ų | 46 | 34.3 Ų | 34.3 | 31% | 0.311 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 4.3 | 173.4 | -62.5 | 0 | 0 | 0 | 0 | 114 | F253 L257 L288 I289 V290 | F253-C292 HydrophobicContact CB-CB 4.3Å; L257-C292 HydrophobicContact CD1-CB 3.83Å; L257-C292 WeakPolarHBondContact CD1-O 3.32Å; L288-C292 PolarHBondContact O-N 2.87Å; L288-C292 PolarHBondContact O-SG 3.44Å; L288-C292 VanDerWaalsContact O-SG 3.36Å; I289-C292 PolarHBondContact O-N 3.36Å; V290-C292 PolarHBondContact O-N 2.96Å |
| 293 | G | 97.8 | Very high | 97.8 | Very high | 38 Ų | 38 | 34.3 Ų | 34.3 | 39% | 0.392 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | 17.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V290 N291 I295 A296 A297 | V290-G293 PolarHBondContact O-N 3.33Å; N291-G293 PolarHBondContact O-N 3.3Å; G293-I295 PolarHBondContact O-N 2.69Å; G293-A296 PolarHBondContact O-N 3.35Å; G293-A297 PolarHBondContact O-N 3.24Å |
| 294 | G | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.6 | -37.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | I289 A297 I298 | I289-G294 VanDerWaalsContact O-CA 3.27Å; I289-G294 WeakPolarHBondContact O-CA 3.46Å; I289-G294 PolarHBondContact O-N 2.86Å; G294-A297 PolarHBondContact O-N 2.89Å; G294-I298 WeakPolarHBondContact O-CB 3.43Å; G294-I298 VanDerWaalsContact O-CD1 3.29Å; G294-I298 WeakPolarHBondContact O-CD1 3.33Å; G294-I298 WeakPolarHBondContact O-CG1 3.49Å; G294-I298 PolarHBondContact O-N 3.35Å |
| 295 | I | 98.7 | Very high | 96.8 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.5 | -49.1 | -179.9 | -55.4 | -177.6 | 0 | 0 | 0 | 110.7 | V290 G293 A297 I298 V299 L317 I320 A330 V331 S334 | V290-I295 HydrophobicContact CB-CD1 4.35Å; V290-I295 HydrophobicContact CB-CG1 4.4Å; V290-I295 HydrophobicContact CG1-CD1 3.81Å; V290-I295 HydrophobicContact CG1-CG1 4.22Å; V290-I295 HydrophobicContact CG2-CD1 3.65Å; V290-I295 HydrophobicContact CG2-CG1 3.71Å; G293-I295 PolarHBondContact O-N 2.69Å; I295-A297 VanDerWaalsContact C-N 3.3Å; I295-A297 PolarHBondContact O-N 3.05Å; I295-I298 PolarHBondContact O-N 2.87Å; I295-V299 HydrophobicContact CG2-CG2 4.03Å; I295-V299 WeakPolarHBondContact O-CB 3.41Å; I295-V299 WeakPolarHBondContact O-CG2 3.29Å; I295-V299 PolarHBondContact O-N 3.23Å; I295-L317 HydrophobicContact CG2-CD2 3.96Å; I295-I320 HydrophobicContact CD1-CG2 4.38Å; I295-I320 HydrophobicContact CG1-CD1 4.44Å; I295-A330 HydrophobicContact CD1-CB 3.53Å; I295-V331 HydrophobicContact CD1-CG2 4Å; I295-V331 HydrophobicContact CG2-CG2 4.4Å; I295-S334 WeakPolarHBondContact CG2-OG 3.49Å |
| 296 | A | 98.2 | Very high | 96.2 | Very high | 60 Ų | 60 | 39.3 Ų | 39.3 | 50% | 0.496 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.8 | -42 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G293 V299 D300 | G293-A296 PolarHBondContact O-N 3.35Å; A296-V299 PolarHBondContact O-N 2.99Å; A296-D300 WeakPolarHBondContact O-CB 3.14Å; A296-D300 PolarHBondContact O-N 3.35Å |
| 297 | A | 98.3 | Very high | 95.8 | Very high | 17 Ų | 17 | 40.4 Ų | 40.4 | 14% | 0.14 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.7 | -41.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L257 L260 G293 G294 I295 Q301 | L257-A297 HydrophobicContact CB-CB 4.15Å; L257-A297 HydrophobicContact CD2-CB 4.36Å; L260-A297 HydrophobicContact CD1-CB 3.89Å; G293-A297 PolarHBondContact O-N 3.24Å; G294-A297 PolarHBondContact O-N 2.89Å; I295-A297 VanDerWaalsContact C-N 3.3Å; I295-A297 PolarHBondContact O-N 3.05Å; A297-Q301 VanDerWaalsContact O-CB 3.29Å; A297-Q301 WeakPolarHBondContact O-CB 3.43Å; A297-Q301 PolarHBondContact O-N 3.46Å |
| 298 | I | 98.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.4 | -46.2 | 177 | -66.9 | 159 | 0 | 0 | 0 | 111.2 | L260 V275 G294 I295 D300 Q301 I302 G313 L317 I320 | L260-I298 HydrophobicContact CD1-CG1 4.16Å; V275-I298 HydrophobicContact CG1-CD1 3.86Å; V275-I298 HydrophobicContact CG1-CG1 4.35Å; G294-I298 WeakPolarHBondContact O-CB 3.43Å; G294-I298 VanDerWaalsContact O-CD1 3.29Å; G294-I298 WeakPolarHBondContact O-CD1 3.33Å; G294-I298 WeakPolarHBondContact O-CG1 3.49Å; G294-I298 PolarHBondContact O-N 3.35Å; I295-I298 PolarHBondContact O-N 2.87Å; I298-D300 VanDerWaalsContact C-N 3.29Å; I298-D300 PolarHBondContact O-N 3.47Å; I298-Q301 PolarHBondContact O-N 2.84Å; I298-I302 HydrophobicContact CG2-CG2 4.42Å; I298-I302 WeakPolarHBondContact O-CG1 3.37Å; I298-I302 WeakPolarHBondContact O-CG2 3.29Å; I298-I302 PolarHBondContact O-N 3.42Å; I298-G313 VanDerWaalsContact CG2-O 3.29Å; I298-G313 WeakPolarHBondContact CG2-O 3.29Å; I298-L317 HydrophobicContact CB-CD2 4.26Å; I298-L317 HydrophobicContact CG2-CD1 4.28Å; I298-L317 HydrophobicContact CG2-CD2 3.84Å; I298-L317 HydrophobicContact CG2-CG 3.74Å; I298-I320 HydrophobicContact CD1-CD1 4.21Å |
| 299 | V | 98.4 | Very high | 95.1 | Very high | 13 Ų | 13 | 39.8 Ų | 39.8 | 8% | 0.079 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.3 | -43.8 | 179.7 | 164.7 | 0 | 0 | 0 | 0 | 110.9 | I295 A296 I302 G303 L317 S334 Q339 | I295-V299 HydrophobicContact CG2-CG2 4.03Å; I295-V299 WeakPolarHBondContact O-CB 3.41Å; I295-V299 WeakPolarHBondContact O-CG2 3.29Å; I295-V299 PolarHBondContact O-N 3.23Å; A296-V299 PolarHBondContact O-N 2.99Å; V299-I302 WeakPolarHBondContact O-CG1 3.45Å; V299-G303 PolarHBondContact O-N 3.4Å; V299-L317 HydrophobicContact CG2-CD1 4.12Å; V299-L317 HydrophobicContact CG2-CD2 4.3Å; V299-S334 WeakPolarHBondContact CG1-O 3.44Å; V299-Q339 HydrophobicContact CG1-CB 4.34Å; V299-Q339 HydrophobicContact CG1-CG 3.51Å |
| 300 | D | 96 | Very high | 94.9 | Very high | 55 Ų | 55 | 39.8 Ų | 39.8 | 29% | 0.294 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.9 | -45.1 | 175.6 | -178.3 | 110.2 | 0 | 0 | 0 | 111.5 | K261 A296 I298 I302 G303 D304 | K261-D300 WeakPolarHBondContact CD-OD2 3.48Å; K261-D300 VanDerWaalsContact CE-CG 3.46Å; K261-D300 WeakPolarHBondContact CE-OD2 3.43Å; K261-D300 IonicContact NZ-OD1 2.85Å; K261-D300 PolarHBondContact NZ-OD1 3.36Å; K261-D300 IonicContact NZ-OD2 2.57Å; K261-D300 PolarHBondContact NZ-OD2 2.98Å; A296-D300 WeakPolarHBondContact O-CB 3.14Å; A296-D300 PolarHBondContact O-N 3.35Å; I298-D300 VanDerWaalsContact C-N 3.29Å; I298-D300 PolarHBondContact O-N 3.47Å; D300-I302 PolarHBondContact O-N 3.11Å; D300-G303 WeakPolarHBondContact O-CA 3.22Å; D300-G303 PolarHBondContact O-N 3.03Å; D300-D304 PolarHBondContact O-N 2.9Å |
| 301 | Q | 95.5 | Very high | 94.8 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 1% | 0.014 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.3 | -42.8 | 177.8 | -175.1 | -110.9 | -48.5 | 0 | 0 | 113.2 | L260 A297 I298 G303 D304 T305 T309 | L260-Q301 HydrophobicContact CB-CB 4.18Å; L260-Q301 HydrophobicContact CB-CG 4.1Å; L260-Q301 HydrophobicContact CD2-CG 4.48Å; L260-Q301 WeakPolarHBondContact O-CG 3.36Å; A297-Q301 VanDerWaalsContact O-CB 3.29Å; A297-Q301 WeakPolarHBondContact O-CB 3.43Å; A297-Q301 PolarHBondContact O-N 3.46Å; I298-Q301 PolarHBondContact O-N 2.84Å; Q301-G303 VanDerWaalsContact C-N 3.3Å; Q301-G303 PolarHBondContact O-N 2.93Å; Q301-D304 PolarHBondContact O-N 3.11Å; Q301-T305 HydrophobicContact CG-CG2 4.48Å; Q301-T305 WeakPolarHBondContact O-CB 3.35Å; Q301-T305 VanDerWaalsContact O-CG2 3.32Å; Q301-T305 WeakPolarHBondContact O-CG2 3.5Å; Q301-T305 PolarHBondContact O-N 3.34Å; Q301-T305 VanDerWaalsContact O-N 3.16Å; Q301-T305 PolarHBondContact O-OG1 3.19Å; Q301-T309 PolarHBondContact NE2-O 2.64Å |
| 302 | I | 95.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.9 | -26.9 | 177.5 | 63.7 | 175.6 | 0 | 0 | 0 | 112.7 | I298 V299 D300 C310 V314 L317 Q339 V343 R346 | I298-I302 HydrophobicContact CG2-CG2 4.42Å; I298-I302 WeakPolarHBondContact O-CG1 3.37Å; I298-I302 WeakPolarHBondContact O-CG2 3.29Å; I298-I302 PolarHBondContact O-N 3.42Å; V299-I302 WeakPolarHBondContact O-CG1 3.45Å; D300-I302 PolarHBondContact O-N 3.11Å; I302-C310 HydrophobicContact CB-CB 4.34Å; I302-C310 HydrophobicContact CG2-CB 4.23Å; I302-V314 HydrophobicContact CG2-CG2 4.2Å; I302-L317 HydrophobicContact CD1-CD1 3.74Å; I302-Q339 HydrophobicContact CD1-CB 3.54Å; I302-Q339 HydrophobicContact CG1-CB 3.94Å; I302-V343 HydrophobicContact CB-CG2 4.33Å; I302-R346 PolarHBondContact O-NH2 2.96Å |
| 303 | G | 91.6 | Very high | 94.8 | Very high | 23 Ų | 23 | 32.7 Ų | 32.7 | 24% | 0.237 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.2 | -45.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V299 D300 Q301 R346 | V299-G303 PolarHBondContact O-N 3.4Å; D300-G303 WeakPolarHBondContact O-CA 3.22Å; D300-G303 PolarHBondContact O-N 3.03Å; Q301-G303 VanDerWaalsContact C-N 3.3Å; Q301-G303 PolarHBondContact O-N 2.93Å; G303-R346 PolarHBondContact O-NH1 2.91Å; G303-R346 VanDerWaalsContact O-NH1 3.12Å |
| 304 | D | 89.2 | Confident | 94.8 | Very high | 127 Ų | 127 | 30.9 Ų | 30.9 | 68% | 0.679 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -84.5 | -12.9 | -174.4 | -73.6 | -8.5 | 0 | 0 | 0 | 114.5 | D300 Q301 | D300-D304 PolarHBondContact O-N 2.9Å; Q301-D304 PolarHBondContact O-N 3.11Å |
| 305 | T | 87.7 | Confident | 94.9 | Very high | 8 Ų | 8 | 33.1 Ų | 33.1 | 5% | 0.049 | 19% | 0.186 | C | C | . | . | trans | -109.3 | 152.7 | -176.8 | 57.1 | 0 | 0 | 0 | 0 | 112.8 | Q301 T309 C310 R346 | Q301-T305 HydrophobicContact CG-CG2 4.48Å; Q301-T305 WeakPolarHBondContact O-CB 3.35Å; Q301-T305 VanDerWaalsContact O-CG2 3.32Å; Q301-T305 WeakPolarHBondContact O-CG2 3.5Å; Q301-T305 PolarHBondContact O-N 3.34Å; Q301-T305 VanDerWaalsContact O-N 3.16Å; Q301-T305 PolarHBondContact O-OG1 3.19Å; T305-T309 WeakPolarHBondContact CB-OG1 3.32Å; T305-C310 WeakPolarHBondContact OG1-CB 3.37Å; T305-R346 VanDerWaalsContact O-CZ 3.3Å; T305-R346 PolarHBondContact O-NH2 3.47Å | ||
| 306 | K | 86.3 | Confident | 94.9 | Very high | 157 Ų | 157 | 33 Ų | 33 | 68% | 0.683 | 19% | 0.186 | S | C | * | . | trans | -126.2 | 154.4 | 174.6 | -64.7 | -176.5 | -177.3 | 178.9 | 0 | 110.1 | T309 | K306-T309 PolarHBondContact O-OG1 3.16Š| ||
| 307 | G | 91.4 | Very high | 94.9 | Very high | 23 Ų | 23 | 30.1 Ų | 30.1 | 24% | 0.237 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | 67 | -158 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | T309 C310 E347 I352 | G307-T309 PolarHBondContact O-N 3.49Å; G307-C310 PolarHBondContact O-N 3.04Å; G307-C310 VanDerWaalsContact O-N 3.11Å; G307-C310 PolarHBondContact O-SG 3.05Å; G307-E347 WeakPolarHBondContact CA-OE2 3.21Å; G307-E347 PolarHBondContact N-OE2 3.39Å; G307-I352 WeakPolarHBondContact O-CD1 3.47Å |
| 308 | F | 91.7 | Very high | 94.9 | Very high | 109 Ų | 109 | 29.3 Ų | 29.3 | 48% | 0.478 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -64.5 | -4.8 | -168 | -77.6 | -83.6 | 0 | 0 | 0 | 115.7 | L311 E351 I352 | F308-L311 HydrophobicContact CD1-CD2 3.96Å; F308-L311 HydrophobicContact CE1-CD2 4.35Å; F308-E351 HydrophobicContact CE1-CB 4.35Å; F308-I352 HydrophobicContact CE1-CG1 4.47Å; F308-I352 HydrophobicContact CG-CD1 4.48Å |
| 309 | T | 90.9 | Very high | 95 | Very high | 8 Ų | 8 | 32.3 Ų | 32.3 | 5% | 0.049 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -76.2 | -26.8 | 173.6 | 51.5 | 0 | 0 | 0 | 0 | 113.3 | E265 Q301 T305 K306 G307 L311 P312 | E265-T309 HydrophobicContact CG-CG2 3.46Å; E265-T309 VanDerWaalsContact CG-CG2 3.46Å; E265-T309 WeakPolarHBondContact OE1-CG2 3.47Å; Q301-T309 PolarHBondContact NE2-O 2.64Å; T305-T309 WeakPolarHBondContact CB-OG1 3.32Å; K306-T309 PolarHBondContact O-OG1 3.16Å; G307-T309 PolarHBondContact O-N 3.49Å; T309-L311 VanDerWaalsContact C-N 3.33Å; T309-P312 WeakPolarHBondContact O-CD 3.48Å |
| 310 | C | 94.2 | Very high | 95 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -77.9 | -20 | 175.1 | 73.2 | 0 | 0 | 0 | 0 | 112.7 | I302 T305 G307 G313 V314 | I302-C310 HydrophobicContact CB-CB 4.34Å; I302-C310 HydrophobicContact CG2-CB 4.23Å; T305-C310 WeakPolarHBondContact OG1-CB 3.37Å; G307-C310 PolarHBondContact O-N 3.04Å; G307-C310 VanDerWaalsContact O-N 3.11Å; G307-C310 PolarHBondContact O-SG 3.05Å; C310-G313 PolarHBondContact O-N 3.04Å; C310-V314 WeakPolarHBondContact O-CG2 3.46Å; C310-V314 PolarHBondContact O-N 3.36Å |
| 311 | L | 96.2 | Very high | 95.1 | Very high | 36 Ų | 36 | 29 Ų | 29 | 19% | 0.188 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.6 | -45.4 | -171 | -179.8 | 63.3 | 0 | 0 | 0 | 113.8 | F308 T309 G313 V314 M315 A355 | F308-L311 HydrophobicContact CD1-CD2 3.96Å; F308-L311 HydrophobicContact CE1-CD2 4.35Å; T309-L311 VanDerWaalsContact C-N 3.33Å; L311-G313 VanDerWaalsContact C-N 3.28Å; L311-G313 PolarHBondContact O-N 3.12Å; L311-V314 PolarHBondContact O-N 3.02Å; L311-M315 HydrophobicContact CD1-CG 4.08Å; L311-M315 HydrophobicContact CD1-SD 4.18Å; L311-M315 HydrophobicContact CG-CG 4.41Å; L311-M315 HydrophobicContact CG-SD 4.08Å; L311-M315 WeakPolarHBondContact O-CB 3.36Å; L311-M315 VanDerWaalsContact O-CG 3.31Å; L311-M315 WeakPolarHBondContact O-CG 3.48Å; L311-M315 PolarHBondContact O-N 3.37Å; L311-A355 HydrophobicContact CD1-CB 3.42Å; L311-A355 VanDerWaalsContact CD1-CB 3.42Å |
| 312 | P | 98 | Very high | 95.3 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.4 | -36.6 | 176.7 | -22.3 | 34.3 | 0 | 0 | 0 | 112.9 | G272 N273 K276 T309 M315 S316 | G272-P312 VanDerWaalsContact O-CB 3.29Å; G272-P312 WeakPolarHBondContact O-CB 3.2Å; N273-P312 WeakPolarHBondContact OD1-CG 3.29Å; K276-P312 HydrophobicContact CB-CB 4.29Å; T309-P312 WeakPolarHBondContact O-CD 3.48Å; P312-M315 PolarHBondContact O-N 3.01Å; P312-S316 WeakPolarHBondContact O-CB 3.22Å; P312-S316 PolarHBondContact O-N 2.76Å; P312-S316 PolarHBondContact O-OG 3.37Å |
| 313 | G | 98.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66 | -46.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I298 C310 L311 M315 S316 L317 | I298-G313 VanDerWaalsContact CG2-O 3.29Å; I298-G313 WeakPolarHBondContact CG2-O 3.29Å; C310-G313 PolarHBondContact O-N 3.04Å; L311-G313 VanDerWaalsContact C-N 3.28Å; L311-G313 PolarHBondContact O-N 3.12Å; G313-M315 VanDerWaalsContact C-N 3.32Å; G313-M315 PolarHBondContact O-N 3.35Å; G313-S316 WeakPolarHBondContact O-CB 3.22Å; G313-S316 PolarHBondContact O-N 3.28Å; G313-S316 VanDerWaalsContact O-N 3.17Å; G313-L317 PolarHBondContact O-N 3.18Å |
| 314 | V | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56 | -47.5 | 174 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | I302 C310 L311 S316 L317 G318 L340 V343 A355 A359 | I302-V314 HydrophobicContact CG2-CG2 4.2Å; C310-V314 WeakPolarHBondContact O-CG2 3.46Å; C310-V314 PolarHBondContact O-N 3.36Å; L311-V314 PolarHBondContact O-N 3.02Å; V314-S316 VanDerWaalsContact C-N 3.35Å; V314-L317 PolarHBondContact O-N 3.5Å; V314-G318 PolarHBondContact O-N 2.85Å; V314-L340 HydrophobicContact CB-CD2 4.25Å; V314-L340 HydrophobicContact CG1-CD2 3.78Å; V314-L340 HydrophobicContact CG2-CD2 4.17Å; V314-V343 HydrophobicContact CG2-CG1 4.05Å; V314-V343 HydrophobicContact CG2-CG2 4.42Å; V314-A355 HydrophobicContact CG1-CB 3.93Å; V314-A359 HydrophobicContact CG1-CB 4.42Å |
| 315 | M | 98.8 | Very high | 96.2 | Very high | 46 Ų | 46 | 31.9 Ų | 31.9 | 23% | 0.227 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.8 | -39.7 | 178.6 | -69.8 | -178.8 | 76.5 | 0 | 0 | 111.8 | K276 L311 P312 G313 L317 G318 Y319 | K276-M315 HydrophobicContact CD-CB 3.9Å; K276-M315 HydrophobicContact CD-CE 4.07Å; K276-M315 HydrophobicContact CD-CG 4.5Å; K276-M315 HydrophobicContact CD-SD 3.82Å; K276-M315 HydrophobicContact CG-CB 3.8Å; L311-M315 HydrophobicContact CD1-CG 4.08Å; L311-M315 HydrophobicContact CD1-SD 4.18Å; L311-M315 HydrophobicContact CG-CG 4.41Å; L311-M315 HydrophobicContact CG-SD 4.08Å; L311-M315 WeakPolarHBondContact O-CB 3.36Å; L311-M315 VanDerWaalsContact O-CG 3.31Å; L311-M315 WeakPolarHBondContact O-CG 3.48Å; L311-M315 PolarHBondContact O-N 3.37Å; P312-M315 PolarHBondContact O-N 3.01Å; G313-M315 VanDerWaalsContact C-N 3.32Å; G313-M315 PolarHBondContact O-N 3.35Å; M315-L317 PolarHBondContact O-N 3.32Å; M315-G318 PolarHBondContact O-N 2.9Å; M315-Y319 HydrophobicContact CB-CD2 4.41Å; M315-Y319 HydrophobicContact CB-CE2 4.24Å; M315-Y319 HydrophobicContact CE-CE2 4.05Å; M315-Y319 WeakPolarHBondContact O-CD2 3.42Å; M315-Y319 PolarHBondContact O-N 3.13Å |
| 316 | S | 98.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.5 | -47.1 | 177.5 | -60.2 | 0 | 0 | 0 | 0 | 111.5 | K276 P312 G313 V314 G318 Y319 I320 | K276-S316 VanDerWaalsContact CA-OG 3.24Å; K276-S316 WeakPolarHBondContact CA-OG 3.34Å; K276-S316 WeakPolarHBondContact CB-OG 3.37Å; K276-S316 PolarHBondContact N-OG 3.15Å; P312-S316 WeakPolarHBondContact O-CB 3.22Å; P312-S316 PolarHBondContact O-N 2.76Å; P312-S316 PolarHBondContact O-OG 3.37Å; G313-S316 WeakPolarHBondContact O-CB 3.22Å; G313-S316 PolarHBondContact O-N 3.28Å; G313-S316 VanDerWaalsContact O-N 3.17Å; V314-S316 VanDerWaalsContact C-N 3.35Å; S316-G318 VanDerWaalsContact C-N 3.29Å; S316-G318 PolarHBondContact O-N 2.88Å; S316-Y319 PolarHBondContact O-N 3.18Å; S316-I320 WeakPolarHBondContact O-CB 3.17Å; S316-I320 WeakPolarHBondContact O-CG1 3.49Å; S316-I320 PolarHBondContact O-N 2.98Å |
| 317 | L | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.2 | -40.2 | 175.7 | -64.6 | -176.3 | 0 | 0 | 0 | 112 | I295 I298 V299 I302 G313 V314 M315 A321 V331 L340 | I295-L317 HydrophobicContact CG2-CD2 3.96Å; I298-L317 HydrophobicContact CB-CD2 4.26Å; I298-L317 HydrophobicContact CG2-CD1 4.28Å; I298-L317 HydrophobicContact CG2-CD2 3.84Å; I298-L317 HydrophobicContact CG2-CG 3.74Å; V299-L317 HydrophobicContact CG2-CD1 4.12Å; V299-L317 HydrophobicContact CG2-CD2 4.3Å; I302-L317 HydrophobicContact CD1-CD1 3.74Å; G313-L317 PolarHBondContact O-N 3.18Å; V314-L317 PolarHBondContact O-N 3.5Å; M315-L317 PolarHBondContact O-N 3.32Å; L317-A321 WeakPolarHBondContact O-CB 3.4Å; L317-A321 PolarHBondContact O-N 3.39Å; L317-V331 HydrophobicContact CB-CG1 4.33Å; L317-V331 HydrophobicContact CD2-CG1 4.19Å; L317-V331 HydrophobicContact CD2-CG2 4.26Å; L317-L340 HydrophobicContact CB-CD1 4.41Å; L317-L340 HydrophobicContact CD1-CD1 4.25Å; L317-L340 HydrophobicContact CD1-CD2 4.3Å; L317-L340 HydrophobicContact CD1-CG 4.12Å |
| 318 | G | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.3 | -41.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V314 M315 S316 A322 Q362 | V314-G318 PolarHBondContact O-N 2.85Å; M315-G318 PolarHBondContact O-N 2.9Å; S316-G318 VanDerWaalsContact C-N 3.29Å; S316-G318 PolarHBondContact O-N 2.88Å; G318-A322 WeakPolarHBondContact O-CB 3.31Å; G318-A322 PolarHBondContact O-N 2.92Å; G318-Q362 WeakPolarHBondContact O-CB 3.18Å |
| 319 | Y | 98.9 | Very high | 98 | Very high | 64 Ų | 64 | 25.7 Ų | 25.7 | 25% | 0.251 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -67.1 | -48.1 | 175.4 | -75.6 | -56.5 | 0 | 0 | 0 | 112 | K276 K280 M315 S316 A321 A322 H323 W358 | K276-Y319 HydrophobicContact CG-CD2 4.21Å; K276-Y319 HydrophobicContact CG-CE2 4.07Å; K280-Y319 HydrophobicContact CB-CD1 3.83Å; K280-Y319 HydrophobicContact CB-CD2 3.71Å; K280-Y319 HydrophobicContact CB-CE1 3.92Å; K280-Y319 HydrophobicContact CB-CE2 3.79Å; K280-Y319 HydrophobicContact CB-CG 3.75Å; M315-Y319 HydrophobicContact CB-CD2 4.41Å; M315-Y319 HydrophobicContact CB-CE2 4.24Å; M315-Y319 HydrophobicContact CE-CE2 4.05Å; M315-Y319 WeakPolarHBondContact O-CD2 3.42Å; M315-Y319 PolarHBondContact O-N 3.13Å; S316-Y319 PolarHBondContact O-N 3.18Å; Y319-A321 VanDerWaalsContact C-N 3.31Å; Y319-A321 PolarHBondContact O-N 3.44Å; Y319-A322 WeakPolarHBondContact O-CB 3.42Å; Y319-A322 PolarHBondContact O-N 3.05Å; Y319-H323 PolarHBondContact O-CD2 3.25Å; Y319-H323 PolarHBondContact O-N 3.17Å; Y319-W358 AromaticContact CD1-CH2 3.77Å; Y319-W358 HydrophobicContact CD1-CH2 3.77Å; Y319-W358 HydrophobicContact CD1-CZ2 4.27Å; Y319-W358 HydrophobicContact CD2-CH2 4.31Å; Y319-W358 AromaticContact CE1-CH2 3.85Å; Y319-W358 HydrophobicContact CE1-CH2 3.85Å; Y319-W358 HydrophobicContact CE1-CZ2 4.17Å; Y319-W358 HydrophobicContact CE2-CH2 4.39Å; Y319-W358 AromaticContact CG-CH2 3.99Å; Y319-W358 HydrophobicContact CG-CH2 3.99Å |
| 320 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -54.1 | -51.1 | 175.5 | -69.5 | 166.9 | 0 | 0 | 0 | 109.7 | V279 V290 I295 I298 S316 A322 H323 L327 V331 | V279-I320 HydrophobicContact CB-CD1 4.43Å; V279-I320 HydrophobicContact CB-CG1 3.83Å; V279-I320 HydrophobicContact CG1-CD1 4.15Å; V279-I320 HydrophobicContact CG1-CG1 4.02Å; V279-I320 HydrophobicContact CG2-CD1 4.49Å; V279-I320 HydrophobicContact CG2-CG1 4.07Å; V290-I320 HydrophobicContact CG2-CD1 4.46Å; V290-I320 HydrophobicContact CG2-CG2 3.98Å; I295-I320 HydrophobicContact CD1-CG2 4.38Å; I295-I320 HydrophobicContact CG1-CD1 4.44Å; I298-I320 HydrophobicContact CD1-CD1 4.21Å; S316-I320 WeakPolarHBondContact O-CB 3.17Å; S316-I320 WeakPolarHBondContact O-CG1 3.49Å; S316-I320 PolarHBondContact O-N 2.98Å; I320-A322 VanDerWaalsContact C-N 3.26Å; I320-A322 PolarHBondContact O-N 3.3Å; I320-H323 PolarHBondContact O-N 2.64Å; I320-L327 HydrophobicContact CG2-CB 3.9Å; I320-L327 HydrophobicContact CG2-CD2 4.24Å; I320-L327 WeakPolarHBondContact O-CB 3.33Å; I320-V331 HydrophobicContact CB-CG2 4.43Å; I320-V331 HydrophobicContact CG2-CG2 3.88Å |
| 321 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.1 | -26.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L317 Y319 H323 A328 V331 Q362 I363 H366 | L317-A321 WeakPolarHBondContact O-CB 3.4Å; L317-A321 PolarHBondContact O-N 3.39Å; Y319-A321 VanDerWaalsContact C-N 3.31Å; Y319-A321 PolarHBondContact O-N 3.44Å; A321-H323 VanDerWaalsContact C-N 3.34Å; A321-H323 PolarHBondContact O-N 3.44Å; A321-A328 HydrophobicContact CB-CB 4Å; A321-V331 HydrophobicContact CB-CG2 4.41Å; A321-Q362 HydrophobicContact CB-CB 4.29Å; A321-I363 HydrophobicContact CB-CB 4.35Å; A321-I363 HydrophobicContact CB-CG1 3.47Å; A321-I363 VanDerWaalsContact CB-CG1 3.47Å; A321-H366 PolarHBondContact O-NE2 2.86Å |
| 322 | A | 98.9 | Very high | 98.8 | Very high | 19 Ų | 19 | 26.2 Ų | 26.2 | 16% | 0.157 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.6 | -33.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G318 Y319 I320 Q362 R365 | G318-A322 WeakPolarHBondContact O-CB 3.31Å; G318-A322 PolarHBondContact O-N 2.92Å; Y319-A322 WeakPolarHBondContact O-CB 3.42Å; Y319-A322 PolarHBondContact O-N 3.05Å; I320-A322 VanDerWaalsContact C-N 3.26Å; I320-A322 PolarHBondContact O-N 3.3Å; A322-Q362 HydrophobicContact CB-CB 4.26Å; A322-Q362 HydrophobicContact CB-CG 4.12Å; A322-R365 PolarHBondContact O-NH2 3.27Å |
| 323 | H | 98.7 | Very high | 98.8 | Very high | 57 Ų | 57 | 31.2 Ų | 31.2 | 26% | 0.264 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -66.6 | -42.7 | -170.9 | -76.5 | -59.9 | 0 | 0 | 0 | 114.5 | V279 T282 P283 S286 Y319 I320 A321 L327 | V279-H323 PolarHBondContact O-NE2 3.31Å; T282-H323 PolarHBondContact O-NE2 3.41Å; P283-H323 HydrophobicContact CB-CB 4.05Å; S286-H323 PolarHBondContact OG-CD2 3.4Å; S286-H323 PolarHBondContact OG-NE2 3.42Å; Y319-H323 PolarHBondContact O-CD2 3.25Å; Y319-H323 PolarHBondContact O-N 3.17Å; I320-H323 PolarHBondContact O-N 2.64Å; A321-H323 VanDerWaalsContact C-N 3.34Å; A321-H323 PolarHBondContact O-N 3.44Å; H323-L327 HydrophobicContact CB-CD1 3.73Å |
| 324 | S | 98.5 | Very high | 98.8 | Very high | 36 Ų | 36 | 33 Ų | 33 | 25% | 0.252 | 18% | 0.184 | S | C | . | . | trans | -157.4 | 163.8 | -177.4 | 74.4 | 0 | 0 | 0 | 0 | 113.3 | T326 L327 A328 H366 | S324-T326 VanDerWaalsContact C-N 3.34Å; S324-L327 PolarHBondContact O-N 3.2Å; S324-L327 WeakPolarHBondContact OG-CB 3.38Å; S324-L327 WeakPolarHBondContact OG-CG 3.4Å; S324-L327 PolarHBondContact OG-N 3.14Å; S324-L327 VanDerWaalsContact OG-N 3.14Å; S324-A328 WeakPolarHBondContact O-CB 3.49Å; S324-A328 PolarHBondContact O-N 3.12Å; S324-H366 PolarHBondContact O-NE2 2.88Å | ||
| 325 | E | 98.7 | Very high | 98.7 | Very high | 100 Ų | 100 | 37.5 Ų | 37.5 | 47% | 0.467 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60 | -43.9 | 173.1 | -168.9 | 174.2 | 166.9 | 0 | 0 | 111.5 | L327 A328 M329 H366 H370 | E325-L327 PolarHBondContact O-N 3.5Å; E325-A328 PolarHBondContact O-N 2.65Å; E325-M329 WeakPolarHBondContact O-CB 3.34Å; E325-M329 PolarHBondContact O-N 3.49Å; E325-H366 HydrophobicContact CB-CB 4.32Å; E325-H366 HydrophobicContact CG-CB 4.09Å; E325-H370 WeakPolarHBondContact CG-CE1 3.15Å; E325-H370 PolarHBondContact O-NE2 3.01Å; E325-H370 VanDerWaalsContact O-NE2 3.14Å; E325-H370 IonicContact OE1-CE1 3.67Å |
| 326 | T | 98.7 | Very high | 98.7 | Very high | 103 Ų | 103 | 35.3 Ų | 35.3 | 63% | 0.632 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -61.3 | -44.4 | 178.9 | -52.1 | 0 | 0 | 0 | 0 | 112.1 | S324 M329 A330 | S324-T326 VanDerWaalsContact C-N 3.34Å; T326-M329 PolarHBondContact O-N 3.37Å; T326-A330 PolarHBondContact O-N 3.45Å |
| 327 | L | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.2 | -38.4 | 179.4 | -70.6 | 172.8 | 0 | 0 | 0 | 111.8 | P283 Q287 V290 I320 H323 S324 E325 M329 A330 V331 | P283-L327 HydrophobicContact CB-CD1 4.5Å; Q287-L327 HydrophobicContact CB-CD2 4.49Å; V290-L327 HydrophobicContact CB-CD2 4.4Å; V290-L327 HydrophobicContact CG2-CD2 3.78Å; I320-L327 HydrophobicContact CG2-CB 3.9Å; I320-L327 HydrophobicContact CG2-CD2 4.24Å; I320-L327 WeakPolarHBondContact O-CB 3.33Å; H323-L327 HydrophobicContact CB-CD1 3.73Å; S324-L327 PolarHBondContact O-N 3.2Å; S324-L327 WeakPolarHBondContact OG-CB 3.38Å; S324-L327 WeakPolarHBondContact OG-CG 3.4Å; S324-L327 PolarHBondContact OG-N 3.14Å; S324-L327 VanDerWaalsContact OG-N 3.14Å; E325-L327 PolarHBondContact O-N 3.5Å; L327-M329 VanDerWaalsContact C-N 3.33Å; L327-M329 PolarHBondContact O-N 2.9Å; L327-A330 WeakPolarHBondContact O-CB 3.48Å; L327-A330 PolarHBondContact O-N 3.5Å; L327-V331 WeakPolarHBondContact O-CG2 3.37Å; L327-V331 PolarHBondContact O-N 3.34Å; L327-V331 VanDerWaalsContact O-N 3.12Å |
| 328 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.2 | -41 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A321 S324 E325 A330 V331 I332 H366 | A321-A328 HydrophobicContact CB-CB 4Å; S324-A328 WeakPolarHBondContact O-CB 3.49Å; S324-A328 PolarHBondContact O-N 3.12Å; E325-A328 PolarHBondContact O-N 2.65Å; A328-A330 VanDerWaalsContact C-N 3.35Å; A328-V331 WeakPolarHBondContact O-CB 3.48Å; A328-V331 PolarHBondContact O-N 3.12Å; A328-I332 WeakPolarHBondContact O-CG1 3.42Å; A328-I332 PolarHBondContact O-N 3.14Å; A328-I332 VanDerWaalsContact O-N 3.08Å; A328-H366 VanDerWaalsContact CB-CD2 3.44Å; A328-H366 WeakPolarHBondContact CB-CD2 3.3Å |
| 329 | M | 98.8 | Very high | 98.6 | Very high | 63 Ų | 63 | 42.2 Ų | 42.2 | 31% | 0.31 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.3 | -38.9 | 174.6 | -169.7 | 57.2 | 64.1 | 0 | 0 | 111.9 | E325 T326 L327 V331 I332 V333 E369 H370 | E325-M329 WeakPolarHBondContact O-CB 3.34Å; E325-M329 PolarHBondContact O-N 3.49Å; T326-M329 PolarHBondContact O-N 3.37Å; L327-M329 VanDerWaalsContact C-N 3.33Å; L327-M329 PolarHBondContact O-N 2.9Å; M329-V331 VanDerWaalsContact C-N 3.27Å; M329-V331 PolarHBondContact O-N 3.25Å; M329-I332 HydrophobicContact CE-CD1 4.28Å; M329-I332 WeakPolarHBondContact O-CB 3.45Å; M329-I332 PolarHBondContact O-N 2.96Å; M329-I332 VanDerWaalsContact O-N 3.08Å; M329-I332 HydrophobicContact SD-CB 4.24Å; M329-I332 HydrophobicContact SD-CD1 4.17Å; M329-I332 HydrophobicContact SD-CG2 4.34Å; M329-V333 HydrophobicContact CG-CG2 4.35Å; M329-V333 WeakPolarHBondContact O-CG2 3.41Å; M329-V333 PolarHBondContact O-N 2.95Å; M329-V333 HydrophobicContact SD-CG2 4.47Å; M329-E369 HydrophobicContact CE-CB 4.1Å; M329-H370 PolarHBondContact N-NE2 3.45Å |
| 330 | A | 98.8 | Very high | 98.6 | Very high | 26 Ų | 26 | 39.2 Ų | 39.2 | 22% | 0.215 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.6 | -36.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | V290 I295 T326 L327 A328 S334 | V290-A330 HydrophobicContact CG1-CB 4.39Å; I295-A330 HydrophobicContact CD1-CB 3.53Å; T326-A330 PolarHBondContact O-N 3.45Å; L327-A330 WeakPolarHBondContact O-CB 3.48Å; L327-A330 PolarHBondContact O-N 3.5Å; A328-A330 VanDerWaalsContact C-N 3.35Å; A330-S334 WeakPolarHBondContact O-CB 3.44Å; A330-S334 PolarHBondContact O-N 3.35Å; A330-S334 VanDerWaalsContact O-N 3.13Å; A330-S334 PolarHBondContact O-OG 3.08Å |
| 331 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.3 | -41.4 | 172.6 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | I295 L317 I320 A321 L327 A328 M329 S334 G336 I363 | I295-V331 HydrophobicContact CD1-CG2 4Å; I295-V331 HydrophobicContact CG2-CG2 4.4Å; L317-V331 HydrophobicContact CB-CG1 4.33Å; L317-V331 HydrophobicContact CD2-CG1 4.19Å; L317-V331 HydrophobicContact CD2-CG2 4.26Å; I320-V331 HydrophobicContact CB-CG2 4.43Å; I320-V331 HydrophobicContact CG2-CG2 3.88Å; A321-V331 HydrophobicContact CB-CG2 4.41Å; L327-V331 WeakPolarHBondContact O-CG2 3.37Å; L327-V331 PolarHBondContact O-N 3.34Å; L327-V331 VanDerWaalsContact O-N 3.12Å; A328-V331 WeakPolarHBondContact O-CB 3.48Å; A328-V331 PolarHBondContact O-N 3.12Å; M329-V331 VanDerWaalsContact C-N 3.27Å; M329-V331 PolarHBondContact O-N 3.25Å; V331-S334 PolarHBondContact O-N 3.44Å; V331-G336 WeakPolarHBondContact O-CA 3.2Å; V331-G336 PolarHBondContact O-N 2.97Å; V331-I363 HydrophobicContact CG1-CD1 3.64Å; V331-I363 HydrophobicContact CG1-CG1 4.18Å |
| 332 | I | 98.8 | Very high | 98.5 | Very high | 28 Ų | 28 | 43.9 Ų | 43.9 | 14% | 0.144 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.9 | -51.9 | 176.3 | -67.7 | 165.9 | 0 | 0 | 0 | 110.9 | A328 M329 S334 N335 V337 I363 H370 A373 | A328-I332 WeakPolarHBondContact O-CG1 3.42Å; A328-I332 PolarHBondContact O-N 3.14Å; A328-I332 VanDerWaalsContact O-N 3.08Å; M329-I332 HydrophobicContact CE-CD1 4.28Å; M329-I332 WeakPolarHBondContact O-CB 3.45Å; M329-I332 PolarHBondContact O-N 2.96Å; M329-I332 VanDerWaalsContact O-N 3.08Å; M329-I332 HydrophobicContact SD-CB 4.24Å; M329-I332 HydrophobicContact SD-CD1 4.17Å; M329-I332 HydrophobicContact SD-CG2 4.34Å; I332-S334 PolarHBondContact O-N 2.89Å; I332-N335 PolarHBondContact O-N 3.08Å; I332-V337 HydrophobicContact CG1-CG2 3.88Å; I332-I363 HydrophobicContact CD1-CG2 3.72Å; I332-I363 HydrophobicContact CG1-CG2 3.56Å; I332-H370 HydrophobicContact CD1-CB 4.19Å; I332-A373 HydrophobicContact CD1-CB 3.89Å; I332-A373 HydrophobicContact CG1-CB 4.2Å; I332-A373 HydrophobicContact CG2-CB 3.65Å |
| 333 | V | 98.5 | Very high | 98.4 | Very high | 110 Ų | 110 | 43 Ų | 43 | 67% | 0.667 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -60.1 | -32.2 | -178 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | M329 N335 | M329-V333 HydrophobicContact CG-CG2 4.35Å; M329-V333 WeakPolarHBondContact O-CG2 3.41Å; M329-V333 PolarHBondContact O-N 2.95Å; M329-V333 HydrophobicContact SD-CG2 4.47Å; V333-N335 PolarHBondContact O-N 2.7Å |
| 334 | S | 98.4 | Very high | 98.4 | Very high | 38 Ų | 38 | 40.3 Ų | 40.3 | 27% | 0.266 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 16.1 | 177.2 | -52.5 | 0 | 0 | 0 | 0 | 113.8 | I295 V299 A330 V331 I332 G336 | I295-S334 WeakPolarHBondContact CG2-OG 3.49Å; V299-S334 WeakPolarHBondContact CG1-O 3.44Å; A330-S334 WeakPolarHBondContact O-CB 3.44Å; A330-S334 PolarHBondContact O-N 3.35Å; A330-S334 VanDerWaalsContact O-N 3.13Å; A330-S334 PolarHBondContact O-OG 3.08Å; V331-S334 PolarHBondContact O-N 3.44Å; I332-S334 PolarHBondContact O-N 2.89Å; S334-G336 PolarHBondContact O-N 2.87Å |
| 335 | N | 98 | Very high | 98.3 | Very high | 95 Ų | 95 | 43.1 Ų | 43.1 | 51% | 0.508 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 21.3 | -177.1 | -61.8 | -53.5 | 0 | 0 | 0 | 115.4 | I332 V333 V337 L338 Q339 | I332-N335 PolarHBondContact O-N 3.08Å; V333-N335 PolarHBondContact O-N 2.7Å; N335-V337 VanDerWaalsContact C-N 3.27Å; N335-V337 PolarHBondContact O-N 3.24Å; N335-L338 PolarHBondContact O-N 3.36Å; N335-Q339 PolarHBondContact O-N 3.46Å |
| 336 | G | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.6 | -33.7 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | V331 S334 Q339 L340 | V331-G336 WeakPolarHBondContact O-CA 3.2Å; V331-G336 PolarHBondContact O-N 2.97Å; S334-G336 PolarHBondContact O-N 2.87Å; G336-Q339 PolarHBondContact O-N 2.86Å; G336-L340 WeakPolarHBondContact O-CB 3.4Å; G336-L340 WeakPolarHBondContact O-CG 3.14Å; G336-L340 PolarHBondContact O-N 3.35Å |
| 337 | V | 98.7 | Very high | 97.9 | Very high | 7 Ų | 7 | 38.1 Ų | 38.1 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.8 | -46.8 | 175.6 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | I332 N335 L340 K341 L360 I363 I374 A377 V379 | I332-V337 HydrophobicContact CG1-CG2 3.88Å; N335-V337 VanDerWaalsContact C-N 3.27Å; N335-V337 PolarHBondContact O-N 3.24Å; V337-L340 PolarHBondContact O-N 2.92Å; V337-K341 PolarHBondContact O-N 3.28Å; V337-L360 HydrophobicContact CG1-CD2 4.21Å; V337-I363 HydrophobicContact CG2-CD1 4.17Å; V337-I363 HydrophobicContact CG2-CG2 4.01Å; V337-I374 HydrophobicContact CB-CD1 4.35Å; V337-I374 HydrophobicContact CG1-CD1 3.8Å; V337-I374 HydrophobicContact CG2-CD1 3.64Å; V337-A377 HydrophobicContact CG1-CB 3.57Å; V337-V379 HydrophobicContact CG1-CG2 4.09Å |
| 338 | L | 98 | Very high | 97.7 | Very high | 84 Ų | 84 | 43.5 Ų | 43.5 | 44% | 0.44 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65 | -43.9 | -179.1 | -69.3 | 175.2 | 0 | 0 | 0 | 110.8 | N335 K341 C342 A377 | N335-L338 PolarHBondContact O-N 3.36Å; L338-K341 WeakPolarHBondContact O-CB 3.38Å; L338-K341 PolarHBondContact O-N 2.92Å; L338-C342 PolarHBondContact O-N 2.94Å; L338-C342 PolarHBondContact O-SG 3.4Å; L338-C342 VanDerWaalsContact O-SG 3.34Å; L338-A377 HydrophobicContact CD2-CB 3.94Å |
| 339 | Q | 97.5 | Very high | 97.5 | Very high | 55 Ų | 55 | 44.6 Ų | 44.6 | 26% | 0.257 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.2 | -41.4 | 177.7 | -69.1 | -57.7 | -22.2 | 0 | 0 | 112.4 | V299 I302 N335 G336 K341 C342 V343 | V299-Q339 HydrophobicContact CG1-CB 4.34Å; V299-Q339 HydrophobicContact CG1-CG 3.51Å; I302-Q339 HydrophobicContact CD1-CB 3.54Å; I302-Q339 HydrophobicContact CG1-CB 3.94Å; N335-Q339 PolarHBondContact O-N 3.46Å; G336-Q339 PolarHBondContact O-N 2.86Å; Q339-K341 VanDerWaalsContact C-N 3.3Å; Q339-K341 PolarHBondContact O-N 3.49Å; Q339-C342 WeakPolarHBondContact O-CB 3.48Å; Q339-C342 PolarHBondContact O-N 3.4Å; Q339-C342 VanDerWaalsContact O-N 3.11Å; Q339-V343 WeakPolarHBondContact O-CG2 3.3Å; Q339-V343 PolarHBondContact O-N 3.29Å |
| 340 | L | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.7 | -36.1 | 174.8 | -73 | 169.5 | 0 | 0 | 0 | 112.4 | V314 L317 G336 V337 V343 L344 A359 L360 I363 | V314-L340 HydrophobicContact CB-CD2 4.25Å; V314-L340 HydrophobicContact CG1-CD2 3.78Å; V314-L340 HydrophobicContact CG2-CD2 4.17Å; L317-L340 HydrophobicContact CB-CD1 4.41Å; L317-L340 HydrophobicContact CD1-CD1 4.25Å; L317-L340 HydrophobicContact CD1-CD2 4.3Å; L317-L340 HydrophobicContact CD1-CG 4.12Å; G336-L340 WeakPolarHBondContact O-CB 3.4Å; G336-L340 WeakPolarHBondContact O-CG 3.14Å; G336-L340 PolarHBondContact O-N 3.35Å; V337-L340 PolarHBondContact O-N 2.92Å; L340-V343 PolarHBondContact O-N 3.48Å; L340-L344 WeakPolarHBondContact O-CB 3.39Å; L340-L344 PolarHBondContact O-N 2.93Å; L340-A359 HydrophobicContact CD1-CB 3.9Å; L340-A359 HydrophobicContact CD2-CB 4Å; L340-L360 HydrophobicContact CB-CD1 4.28Å; L340-L360 HydrophobicContact CB-CD2 3.76Å; L340-L360 HydrophobicContact CB-CG 3.87Å; L340-L360 HydrophobicContact CD1-CD2 4.22Å; L340-L360 HydrophobicContact CD1-CG 4.31Å; L340-I363 HydrophobicContact CD1-CD1 3.51Å |
| 341 | K | 98.3 | Very high | 97.3 | Very high | 36 Ų | 36 | 47.9 Ų | 47.9 | 16% | 0.157 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.5 | -48 | 169.9 | 172.9 | 170 | 167.3 | 151.1 | 0 | 111.2 | V337 L338 Q339 V343 L344 I345 A377 D378 V379 N382 | V337-K341 PolarHBondContact O-N 3.28Å; L338-K341 WeakPolarHBondContact O-CB 3.38Å; L338-K341 PolarHBondContact O-N 2.92Å; Q339-K341 VanDerWaalsContact C-N 3.3Å; Q339-K341 PolarHBondContact O-N 3.49Å; K341-V343 VanDerWaalsContact C-N 3.3Å; K341-V343 PolarHBondContact O-N 3.44Å; K341-L344 WeakPolarHBondContact O-CB 3.43Å; K341-L344 PolarHBondContact O-N 3.23Å; K341-I345 HydrophobicContact CD-CD1 4.36Å; K341-I345 HydrophobicContact CG-CD1 3.7Å; K341-I345 WeakPolarHBondContact O-CG1 3.42Å; K341-I345 PolarHBondContact O-N 3.35Å; K341-I345 VanDerWaalsContact O-N 3.07Å; K341-A377 WeakPolarHBondContact CD-O 3.46Å; K341-A377 WeakPolarHBondContact CE-O 3.47Å; K341-A377 PolarHBondContact NZ-O 3.42Å; K341-D378 PolarHBondContact NZ-O 2.99Å; K341-D378 IonicContact NZ-OD2 3.46Å; K341-D378 PolarHBondContact NZ-OD2 3.3Å; K341-V379 HydrophobicContact CB-CG2 4.04Å; K341-V379 HydrophobicContact CD-CG2 4.08Å; K341-V379 HydrophobicContact CG-CG2 4.43Å; K341-N382 WeakPolarHBondContact CE-OD1 3.43Å; K341-N382 PolarHBondContact NZ-OD1 3.18Å; K341-N382 VanDerWaalsContact NZ-OD1 3.11Å |
| 342 | C | 97.2 | Very high | 97.3 | Very high | 63 Ų | 63 | 47.9 Ų | 47.9 | 43% | 0.426 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57 | -44.8 | 177.3 | -70.5 | 0 | 0 | 0 | 0 | 111.3 | L338 Q339 I345 R346 | L338-C342 PolarHBondContact O-N 2.94Å; L338-C342 PolarHBondContact O-SG 3.4Å; L338-C342 VanDerWaalsContact O-SG 3.34Å; Q339-C342 WeakPolarHBondContact O-CB 3.48Å; Q339-C342 PolarHBondContact O-N 3.4Å; Q339-C342 VanDerWaalsContact O-N 3.11Å; C342-I345 PolarHBondContact O-N 2.89Å; C342-R346 WeakPolarHBondContact O-CB 3.48Å; C342-R346 PolarHBondContact O-N 3.29Å |
| 343 | V | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 175.7 | 178.4 | 0 | 0 | 0 | 0 | 111.4 | I302 V314 Q339 L340 K341 I345 R346 E347 I352 S356 | I302-V343 HydrophobicContact CB-CG2 4.33Å; V314-V343 HydrophobicContact CG2-CG1 4.05Å; V314-V343 HydrophobicContact CG2-CG2 4.42Å; Q339-V343 WeakPolarHBondContact O-CG2 3.3Å; Q339-V343 PolarHBondContact O-N 3.29Å; L340-V343 PolarHBondContact O-N 3.48Å; K341-V343 VanDerWaalsContact C-N 3.3Å; K341-V343 PolarHBondContact O-N 3.44Å; V343-I345 PolarHBondContact O-N 3.3Å; V343-R346 PolarHBondContact O-N 3.44Å; V343-E347 HydrophobicContact CG1-CG 3.73Å; V343-E347 WeakPolarHBondContact O-CB 3.47Å; V343-E347 VanDerWaalsContact O-CG 3.3Å; V343-E347 WeakPolarHBondContact O-CG 3.33Å; V343-E347 PolarHBondContact O-N 2.98Å; V343-I352 HydrophobicContact CG1-CG2 3.55Å; V343-S356 WeakPolarHBondContact CG1-OG 3.16Å |
| 344 | L | 97.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -55.6 | -38.8 | 179 | -178.1 | 68 | 0 | 0 | 0 | 112.7 | L340 K341 Q353 A357 L360 N382 L383 | L340-L344 WeakPolarHBondContact O-CB 3.39Å; L340-L344 PolarHBondContact O-N 2.93Å; K341-L344 WeakPolarHBondContact O-CB 3.43Å; K341-L344 PolarHBondContact O-N 3.23Å; L344-Q353 HydrophobicContact CD1-CB 4Å; L344-Q353 HydrophobicContact CD1-CG 4.44Å; L344-Q353 WeakPolarHBondContact CD1-O 3.13Å; L344-Q353 WeakPolarHBondContact O-CG 3.38Å; L344-Q353 PolarHBondContact O-NE2 3.21Å; L344-A357 HydrophobicContact CD1-CB 4.33Å; L344-L360 HydrophobicContact CD2-CD1 4.15Å; L344-N382 HydrophobicContact CD2-CB 4.02Å; L344-L383 HydrophobicContact CD2-CD2 3.86Å; L344-L383 HydrophobicContact CD2-CG 4.3Å |
| 345 | I | 96.5 | Very high | 97.3 | Very high | 94 Ų | 94 | 40.2 Ų | 40.2 | 48% | 0.482 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -84.5 | -43.8 | -178.2 | -62.1 | 167.6 | 0 | 0 | 0 | 111.7 | K341 C342 V343 N382 | K341-I345 HydrophobicContact CD-CD1 4.36Å; K341-I345 HydrophobicContact CG-CD1 3.7Å; K341-I345 WeakPolarHBondContact O-CG1 3.42Å; K341-I345 PolarHBondContact O-N 3.35Å; K341-I345 VanDerWaalsContact O-N 3.07Å; C342-I345 PolarHBondContact O-N 2.89Å; V343-I345 PolarHBondContact O-N 3.3Å; I345-N382 HydrophobicContact CG1-CB 4.4Å |
| 346 | R | 95 | Very high | 97.3 | Very high | 84 Ų | 84 | 35.7 Ų | 35.7 | 32% | 0.317 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -71.6 | -38.5 | -172.4 | -178.4 | -175 | 70.4 | -157.8 | -5.1 | 112.6 | I302 G303 T305 C342 V343 | I302-R346 PolarHBondContact O-NH2 2.96Å; G303-R346 PolarHBondContact O-NH1 2.91Å; G303-R346 VanDerWaalsContact O-NH1 3.12Å; T305-R346 VanDerWaalsContact O-CZ 3.3Å; T305-R346 PolarHBondContact O-NH2 3.47Å; C342-R346 WeakPolarHBondContact O-CB 3.48Å; C342-R346 PolarHBondContact O-N 3.29Å; V343-R346 PolarHBondContact O-N 3.44Å |
| 347 | E | 94.9 | Very high | 97.3 | Very high | 14 Ų | 14 | 35.7 Ų | 35.7 | 7% | 0.065 | 19% | 0.19 | C | C | . | . | trans | -82.3 | 135.3 | -171.4 | -59.4 | -63 | 143.2 | 0 | 0 | 111.8 | G307 V343 I352 Q353 | G307-E347 WeakPolarHBondContact CA-OE2 3.21Å; G307-E347 PolarHBondContact N-OE2 3.39Å; V343-E347 HydrophobicContact CG1-CG 3.73Å; V343-E347 WeakPolarHBondContact O-CB 3.47Å; V343-E347 VanDerWaalsContact O-CG 3.3Å; V343-E347 WeakPolarHBondContact O-CG 3.33Å; V343-E347 PolarHBondContact O-N 2.98Å; E347-I352 HydrophobicContact CB-CB 4.25Å; E347-I352 HydrophobicContact CB-CG2 4.08Å; E347-I352 HydrophobicContact CG-CB 4.44Å; E347-I352 HydrophobicContact CG-CG2 3.79Å; E347-Q353 VanDerWaalsContact O-CD 3.3Å; E347-Q353 PolarHBondContact O-NE2 3.19Å | ||
| 348 | S | 93.1 | Very high | 97.3 | Very high | 116 Ų | 116 | 37.9 Ų | 37.9 | 81% | 0.811 | 20% | 0.198 | S | C | * | . | trans | -86.5 | -22.7 | 175.5 | 55.7 | 0 | 0 | 0 | 0 | 113.2 | E350 | S348-E350 PolarHBondContact O-N 3.42Š| ||
| 349 | S | 95.8 | Very high | 97.4 | Very high | 22 Ų | 22 | 33.9 Ų | 33.9 | 15% | 0.154 | 18% | 0.177 | C | C | . | . | trans | -70 | 121.7 | 176 | 158.3 | 0 | 0 | 0 | 0 | 110.2 | E351 I352 Q353 | S349-E351 PolarHBondContact O-N 3.28Å; S349-E351 PolarHBondContact OG-N 2.95Å; S349-E351 PolarHBondContact OG-OE2 2.93Å; S349-I352 PolarHBondContact O-N 2.77Å; S349-I352 PolarHBondContact OG-N 3.45Å; S349-Q353 WeakPolarHBondContact O-CG 3.2Å; S349-Q353 PolarHBondContact O-N 3.39Å | ||
| 350 | E | 96.6 | Very high | 97.4 | Very high | 50 Ų | 50 | 31.3 Ų | 31.3 | 23% | 0.234 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67 | -28.4 | 179.7 | -62.5 | -165.5 | 165.6 | 0 | 0 | 112.1 | S348 Q353 A354 A392 S393 L396 | S348-E350 PolarHBondContact O-N 3.42Å; E350-Q353 PolarHBondContact O-N 3.06Å; E350-A354 WeakPolarHBondContact O-CB 3.43Å; E350-A354 PolarHBondContact O-N 3.25Å; E350-A392 WeakPolarHBondContact OE1-CA 3.34Å; E350-S393 WeakPolarHBondContact OE2-CA 3.27Å; E350-S393 WeakPolarHBondContact OE2-CB 3.31Å; E350-S393 PolarHBondContact OE2-N 2.81Å; E350-S393 PolarHBondContact OE2-OG 3.17Å; E350-L396 HydrophobicContact CB-CB 4.45Å; E350-L396 HydrophobicContact CB-CD2 4.07Å; E350-L396 HydrophobicContact CG-CD2 4.05Å |
| 351 | E | 97.5 | Very high | 97.4 | Very high | 109 Ų | 109 | 31.3 Ų | 31.3 | 51% | 0.509 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -63.6 | -42.5 | 174.9 | -58.6 | 84.2 | 171.4 | 0 | 0 | 111.4 | F308 S349 A354 A355 | F308-E351 HydrophobicContact CE1-CB 4.35Å; S349-E351 PolarHBondContact O-N 3.28Å; S349-E351 PolarHBondContact OG-N 2.95Å; S349-E351 PolarHBondContact OG-OE2 2.93Å; E351-A354 PolarHBondContact O-N 3.47Å; E351-A355 WeakPolarHBondContact O-CB 3.46Å; E351-A355 PolarHBondContact O-N 3.11Å |
| 352 | I | 97.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -71.1 | -40.3 | 177.4 | -57.7 | 172.2 | 0 | 0 | 0 | 110.5 | G307 F308 V343 E347 S349 A354 A355 S356 | G307-I352 WeakPolarHBondContact O-CD1 3.47Å; F308-I352 HydrophobicContact CE1-CG1 4.47Å; F308-I352 HydrophobicContact CG-CD1 4.48Å; V343-I352 HydrophobicContact CG1-CG2 3.55Å; E347-I352 HydrophobicContact CB-CB 4.25Å; E347-I352 HydrophobicContact CB-CG2 4.08Å; E347-I352 HydrophobicContact CG-CB 4.44Å; E347-I352 HydrophobicContact CG-CG2 3.79Å; S349-I352 PolarHBondContact O-N 2.77Å; S349-I352 PolarHBondContact OG-N 3.45Å; I352-A354 VanDerWaalsContact C-N 3.32Å; I352-A354 PolarHBondContact O-N 3.37Å; I352-A355 PolarHBondContact O-N 2.93Å; I352-S356 WeakPolarHBondContact O-CB 3.4Å; I352-S356 PolarHBondContact O-N 3.4Å; I352-S356 PolarHBondContact O-OG 3.39Å |
| 353 | Q | 98.1 | Very high | 97.5 | Very high | 6 Ų | 6 | 27.1 Ų | 27.1 | 3% | 0.028 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.6 | -43.2 | 173.4 | -69.7 | -174.8 | -34.3 | 0 | 0 | 111.3 | L344 E347 S349 E350 S356 A357 K389 L396 | L344-Q353 HydrophobicContact CD1-CB 4Å; L344-Q353 HydrophobicContact CD1-CG 4.44Å; L344-Q353 WeakPolarHBondContact CD1-O 3.13Å; L344-Q353 WeakPolarHBondContact O-CG 3.38Å; L344-Q353 PolarHBondContact O-NE2 3.21Å; E347-Q353 VanDerWaalsContact O-CD 3.3Å; E347-Q353 PolarHBondContact O-NE2 3.19Å; S349-Q353 WeakPolarHBondContact O-CG 3.2Å; S349-Q353 PolarHBondContact O-N 3.39Å; E350-Q353 PolarHBondContact O-N 3.06Å; Q353-S356 PolarHBondContact O-N 2.83Å; Q353-A357 WeakPolarHBondContact O-CB 3.4Å; Q353-A357 PolarHBondContact O-N 3.39Å; Q353-K389 VanDerWaalsContact CD-NZ 3.34Å; Q353-L396 HydrophobicContact CB-CD1 3.75Å; Q353-L396 HydrophobicContact CB-CD2 4.49Å |
| 354 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.9 | -43 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E350 E351 I352 S356 A357 W358 D395 L396 K399 | E350-A354 WeakPolarHBondContact O-CB 3.43Å; E350-A354 PolarHBondContact O-N 3.25Å; E351-A354 PolarHBondContact O-N 3.47Å; I352-A354 VanDerWaalsContact C-N 3.32Å; I352-A354 PolarHBondContact O-N 3.37Å; A354-S356 VanDerWaalsContact C-N 3.34Å; A354-S356 PolarHBondContact O-N 3.2Å; A354-A357 PolarHBondContact O-N 3.38Å; A354-W358 WeakPolarHBondContact O-CB 3.33Å; A354-W358 PolarHBondContact O-N 3.34Å; A354-D395 WeakPolarHBondContact CB-OD2 3.42Å; A354-L396 HydrophobicContact CB-CB 4.22Å; A354-L396 HydrophobicContact CB-CD1 4Å; A354-K399 HydrophobicContact CB-CD 3.8Å; A354-K399 WeakPolarHBondContact O-CD 3.29Å |
| 355 | A | 98.7 | Very high | 97.6 | Very high | 8 Ų | 8 | 31.4 Ų | 31.4 | 7% | 0.066 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.7 | -42.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L311 V314 E351 I352 W358 A359 | L311-A355 HydrophobicContact CD1-CB 3.42Å; L311-A355 VanDerWaalsContact CD1-CB 3.42Å; V314-A355 HydrophobicContact CG1-CB 3.93Å; E351-A355 WeakPolarHBondContact O-CB 3.46Å; E351-A355 PolarHBondContact O-N 3.11Å; I352-A355 PolarHBondContact O-N 2.93Å; A355-W358 PolarHBondContact O-N 2.9Å; A355-A359 WeakPolarHBondContact O-CB 3.43Å; A355-A359 PolarHBondContact O-N 3.48Å |
| 356 | S | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.7 | -44.8 | 177.5 | -56.5 | 0 | 0 | 0 | 0 | 111.6 | V343 I352 Q353 A354 W358 A359 L360 | V343-S356 WeakPolarHBondContact CG1-OG 3.16Å; I352-S356 WeakPolarHBondContact O-CB 3.4Å; I352-S356 PolarHBondContact O-N 3.4Å; I352-S356 PolarHBondContact O-OG 3.39Å; Q353-S356 PolarHBondContact O-N 2.83Å; A354-S356 VanDerWaalsContact C-N 3.34Å; A354-S356 PolarHBondContact O-N 3.2Å; S356-W358 PolarHBondContact O-N 3.23Å; S356-A359 PolarHBondContact O-N 2.72Å; S356-L360 WeakPolarHBondContact O-CB 3.41Å; S356-L360 WeakPolarHBondContact O-CD1 3.02Å; S356-L360 VanDerWaalsContact O-CG 3.3Å; S356-L360 WeakPolarHBondContact O-CG 3.38Å; S356-L360 PolarHBondContact O-N 3.05Å |
| 357 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.9 | -44.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L344 Q353 A354 L360 G361 L383 T400 A403 | L344-A357 HydrophobicContact CD1-CB 4.33Å; Q353-A357 WeakPolarHBondContact O-CB 3.4Å; Q353-A357 PolarHBondContact O-N 3.39Å; A354-A357 PolarHBondContact O-N 3.38Å; A357-L360 PolarHBondContact O-N 3.43Å; A357-G361 PolarHBondContact O-N 3.49Å; A357-L383 HydrophobicContact CB-CD2 3.55Å; A357-T400 HydrophobicContact CB-CG2 3.67Å; A357-A403 WeakPolarHBondContact O-CB 3.48Å |
| 358 | W | 98.9 | Very high | 98 | Very high | 54 Ų | 54 | 26.4 Ų | 26.4 | 21% | 0.205 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.2 | -47.4 | 174.8 | 169.1 | 83.6 | 0 | 0 | 0 | 111.7 | Y319 A354 A355 S356 G361 Q362 K399 | Y319-W358 AromaticContact CD1-CH2 3.77Å; Y319-W358 HydrophobicContact CD1-CH2 3.77Å; Y319-W358 HydrophobicContact CD1-CZ2 4.27Å; Y319-W358 HydrophobicContact CD2-CH2 4.31Å; Y319-W358 AromaticContact CE1-CH2 3.85Å; Y319-W358 HydrophobicContact CE1-CH2 3.85Å; Y319-W358 HydrophobicContact CE1-CZ2 4.17Å; Y319-W358 HydrophobicContact CE2-CH2 4.39Å; Y319-W358 AromaticContact CG-CH2 3.99Å; Y319-W358 HydrophobicContact CG-CH2 3.99Å; A354-W358 WeakPolarHBondContact O-CB 3.33Å; A354-W358 PolarHBondContact O-N 3.34Å; A355-W358 PolarHBondContact O-N 2.9Å; S356-W358 PolarHBondContact O-N 3.23Å; W358-G361 WeakPolarHBondContact O-CA 3.49Å; W358-G361 PolarHBondContact O-N 2.83Å; W358-Q362 HydrophobicContact CD2-CG 4.22Å; W358-Q362 HydrophobicContact CH2-CG 4.47Å; W358-Q362 HydrophobicContact CZ2-CG 3.96Å; W358-Q362 WeakPolarHBondContact O-CG 3.19Å; W358-Q362 PolarHBondContact O-N 3.25Å; W358-K399 HydrophobicContact CB-CB 4.34Å; W358-K399 HydrophobicContact CB-CD 4.07Å; W358-K399 HydrophobicContact CB-CG 4.12Å |
| 359 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.9 | -45 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | V314 L340 A355 S356 G361 Q362 I363 | V314-A359 HydrophobicContact CG1-CB 4.42Å; L340-A359 HydrophobicContact CD1-CB 3.9Å; L340-A359 HydrophobicContact CD2-CB 4Å; A355-A359 WeakPolarHBondContact O-CB 3.43Å; A355-A359 PolarHBondContact O-N 3.48Å; S356-A359 PolarHBondContact O-N 2.72Å; A359-G361 VanDerWaalsContact C-N 3.27Å; A359-G361 PolarHBondContact O-N 2.8Å; A359-Q362 WeakPolarHBondContact O-CB 3.4Å; A359-Q362 PolarHBondContact O-N 3.37Å; A359-I363 WeakPolarHBondContact O-CG1 3.39Å; A359-I363 PolarHBondContact O-N 3.02Å |
| 360 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.9 | -39.5 | 173.8 | -72.2 | 162 | 0 | 0 | 0 | 112 | V337 L340 L344 S356 A357 I363 G364 I374 V379 L383 | V337-L360 HydrophobicContact CG1-CD2 4.21Å; L340-L360 HydrophobicContact CB-CD1 4.28Å; L340-L360 HydrophobicContact CB-CD2 3.76Å; L340-L360 HydrophobicContact CB-CG 3.87Å; L340-L360 HydrophobicContact CD1-CD2 4.22Å; L340-L360 HydrophobicContact CD1-CG 4.31Å; L344-L360 HydrophobicContact CD2-CD1 4.15Å; S356-L360 WeakPolarHBondContact O-CB 3.41Å; S356-L360 WeakPolarHBondContact O-CD1 3.02Å; S356-L360 VanDerWaalsContact O-CG 3.3Å; S356-L360 WeakPolarHBondContact O-CG 3.38Å; S356-L360 PolarHBondContact O-N 3.05Å; A357-L360 PolarHBondContact O-N 3.43Å; L360-I363 PolarHBondContact O-N 3.05Å; L360-G364 PolarHBondContact O-N 3.38Å; L360-I374 HydrophobicContact CD2-CD1 3.81Å; L360-V379 HydrophobicContact CB-CG1 4.43Å; L360-V379 HydrophobicContact CD1-CG1 3.71Å; L360-V379 HydrophobicContact CD2-CG1 4.12Å; L360-V379 HydrophobicContact CD2-CG2 4.24Å; L360-V379 HydrophobicContact CG-CG1 4.3Å; L360-L383 HydrophobicContact CD1-CD2 4.46Å |
| 361 | G | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.9 | -37.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A357 W358 A359 R365 | A357-G361 PolarHBondContact O-N 3.49Å; W358-G361 WeakPolarHBondContact O-CA 3.49Å; W358-G361 PolarHBondContact O-N 2.83Å; A359-G361 VanDerWaalsContact C-N 3.27Å; A359-G361 PolarHBondContact O-N 2.8Å; G361-R365 WeakPolarHBondContact O-CB 3.44Å; G361-R365 PolarHBondContact O-N 3.02Å |
| 362 | Q | 98.9 | Very high | 98.5 | Very high | 10 Ų | 10 | 22.1 Ų | 22.1 | 5% | 0.047 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66.9 | -37.4 | 174.9 | -60.2 | -45.9 | -35 | 0 | 0 | 112.2 | G318 A321 A322 W358 A359 R365 H366 | G318-Q362 WeakPolarHBondContact O-CB 3.18Å; A321-Q362 HydrophobicContact CB-CB 4.29Å; A322-Q362 HydrophobicContact CB-CB 4.26Å; A322-Q362 HydrophobicContact CB-CG 4.12Å; W358-Q362 HydrophobicContact CD2-CG 4.22Å; W358-Q362 HydrophobicContact CH2-CG 4.47Å; W358-Q362 HydrophobicContact CZ2-CG 3.96Å; W358-Q362 WeakPolarHBondContact O-CG 3.19Å; W358-Q362 PolarHBondContact O-N 3.25Å; A359-Q362 WeakPolarHBondContact O-CB 3.4Å; A359-Q362 PolarHBondContact O-N 3.37Å; Q362-R365 WeakPolarHBondContact O-CG 3.46Å; Q362-H366 PolarHBondContact O-CD2 2.97Å; Q362-H366 PolarHBondContact O-NE2 3.5Å |
| 363 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66 | -52.1 | 176.6 | -64 | 164.1 | 0 | 0 | 0 | 110.4 | A321 V331 I332 V337 L340 A359 L360 R365 H370 I374 | A321-I363 HydrophobicContact CB-CB 4.35Å; A321-I363 HydrophobicContact CB-CG1 3.47Å; A321-I363 VanDerWaalsContact CB-CG1 3.47Å; V331-I363 HydrophobicContact CG1-CD1 3.64Å; V331-I363 HydrophobicContact CG1-CG1 4.18Å; I332-I363 HydrophobicContact CD1-CG2 3.72Å; I332-I363 HydrophobicContact CG1-CG2 3.56Å; V337-I363 HydrophobicContact CG2-CD1 4.17Å; V337-I363 HydrophobicContact CG2-CG2 4.01Å; L340-I363 HydrophobicContact CD1-CD1 3.51Å; A359-I363 WeakPolarHBondContact O-CG1 3.39Å; A359-I363 PolarHBondContact O-N 3.02Å; L360-I363 PolarHBondContact O-N 3.05Å; I363-R365 VanDerWaalsContact C-N 3.3Å; I363-R365 PolarHBondContact O-N 2.94Å; I363-H370 WeakPolarHBondContact O-CB 3.43Å; I363-H370 PolarHBondContact O-CD2 3.49Å; I363-I374 HydrophobicContact CB-CD1 4.14Å; I363-I374 HydrophobicContact CG2-CD1 3.94Å; I363-I374 HydrophobicContact CG2-CG1 4.39Å |
| 364 | G | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -76 | -5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | L360 | L360-G364 PolarHBondContact O-N 3.38Å |
| 365 | R | 98.5 | Very high | 98.5 | Very high | 91 Ų | 91 | 23.2 Ų | 23.2 | 34% | 0.343 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -15.2 | -171.2 | 76.7 | -172.1 | -173.7 | 162.5 | 12.8 | 115.4 | A322 G361 Q362 I363 L406 K410 | A322-R365 PolarHBondContact O-NH2 3.27Å; G361-R365 WeakPolarHBondContact O-CB 3.44Å; G361-R365 PolarHBondContact O-N 3.02Å; Q362-R365 WeakPolarHBondContact O-CG 3.46Å; I363-R365 VanDerWaalsContact C-N 3.3Å; I363-R365 PolarHBondContact O-N 2.94Å; R365-L406 HydrophobicContact CB-CB 3.95Å; R365-L406 HydrophobicContact CB-CD1 4.23Å; R365-L406 HydrophobicContact CB-CD2 4.18Å; R365-L406 HydrophobicContact CB-CG 4.34Å; R365-K410 VanDerWaalsContact O-CE 3.25Å; R365-K410 WeakPolarHBondContact O-CE 3.4Å |
| 366 | H | 98.6 | Very high | 98.4 | Very high | 37 Ų | 37 | 29.1 Ų | 29.1 | 17% | 0.171 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -79.8 | -65.9 | -167 | -66.8 | -77 | 0 | 0 | 0 | 112.4 | A321 S324 E325 A328 Q362 K410 | A321-H366 PolarHBondContact O-NE2 2.86Å; S324-H366 PolarHBondContact O-NE2 2.88Å; E325-H366 HydrophobicContact CB-CB 4.32Å; E325-H366 HydrophobicContact CG-CB 4.09Å; A328-H366 VanDerWaalsContact CB-CD2 3.44Å; A328-H366 WeakPolarHBondContact CB-CD2 3.3Å; Q362-H366 PolarHBondContact O-CD2 2.97Å; Q362-H366 PolarHBondContact O-NE2 3.5Å; H366-K410 WeakPolarHBondContact O-CE 3.25Å; H366-K410 PolarHBondContact O-NZ 3.17Å |
| 367 | S | 98.4 | Very high | 98.3 | Very high | 9 Ų | 9 | 29.8 Ų | 29.8 | 6% | 0.063 | 14% | 0.144 | C | C | . | . | trans | -136.3 | 169.7 | -172.9 | 89.4 | 0 | 0 | 0 | 0 | 112.8 | E369 H370 A371 | S367-E369 VanDerWaalsContact C-N 3.25Å; S367-E369 VanDerWaalsContact CB-OE2 3.31Å; S367-E369 WeakPolarHBondContact CB-OE2 3.34Å; S367-E369 PolarHBondContact O-N 2.85Å; S367-E369 PolarHBondContact OG-N 2.68Å; S367-E369 PolarHBondContact OG-OE2 2.95Å; S367-H370 WeakPolarHBondContact O-CB 3.01Å; S367-H370 PolarHBondContact O-N 2.95Å; S367-H370 PolarHBondContact OG-ND1 3.23Å; S367-A371 PolarHBondContact O-N 3.44Å; S367-A371 VanDerWaalsContact O-N 3.13Å | ||
| 368 | P | 97.9 | Very high | 98.1 | Very high | 41 Ų | 41 | 34 Ų | 34 | 27% | 0.266 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -57 | -34.3 | 171.7 | -25.2 | 36.3 | 0 | 0 | 0 | 114.7 | H370 A371 K372 K410 I412 | P368-H370 VanDerWaalsContact C-N 3.32Å; P368-H370 PolarHBondContact O-N 3.48Å; P368-A371 PolarHBondContact O-N 3.33Å; P368-K372 WeakPolarHBondContact O-CB 3.34Å; P368-K372 PolarHBondContact O-N 3.22Å; P368-K410 VanDerWaalsContact CA-O 3.25Å; P368-K410 WeakPolarHBondContact CA-O 3.39Å; P368-I412 HydrophobicContact CB-CD1 3.78Å; P368-I412 HydrophobicContact CB-CG1 3.95Å; P368-I412 HydrophobicContact CB-CG2 4.11Å; P368-I412 HydrophobicContact CG-CG2 4.28Å |
| 369 | E | 98.3 | Very high | 98 | Very high | 109 Ų | 109 | 31.5 Ų | 31.5 | 51% | 0.509 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -62.8 | -40.7 | 176.6 | -64.8 | 66.5 | -143.8 | 0 | 0 | 111 | M329 S367 K372 A373 | M329-E369 HydrophobicContact CE-CB 4.1Å; S367-E369 VanDerWaalsContact C-N 3.25Å; S367-E369 VanDerWaalsContact CB-OE2 3.31Å; S367-E369 WeakPolarHBondContact CB-OE2 3.34Å; S367-E369 PolarHBondContact O-N 2.85Å; S367-E369 PolarHBondContact OG-N 2.68Å; S367-E369 PolarHBondContact OG-OE2 2.95Å; E369-K372 PolarHBondContact O-N 2.74Å; E369-A373 PolarHBondContact O-N 2.63Å |
| 370 | H | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.4 | -49 | 177.3 | -64 | 73.4 | 0 | 0 | 0 | 111.6 | E325 M329 I332 I363 S367 P368 K372 A373 I374 | E325-H370 WeakPolarHBondContact CG-CE1 3.15Å; E325-H370 PolarHBondContact O-NE2 3.01Å; E325-H370 VanDerWaalsContact O-NE2 3.14Å; E325-H370 IonicContact OE1-CE1 3.67Å; M329-H370 PolarHBondContact N-NE2 3.45Å; I332-H370 HydrophobicContact CD1-CB 4.19Å; I363-H370 WeakPolarHBondContact O-CB 3.43Å; I363-H370 PolarHBondContact O-CD2 3.49Å; S367-H370 WeakPolarHBondContact O-CB 3.01Å; S367-H370 PolarHBondContact O-N 2.95Å; S367-H370 PolarHBondContact OG-ND1 3.23Å; P368-H370 VanDerWaalsContact C-N 3.32Å; P368-H370 PolarHBondContact O-N 3.48Å; H370-K372 VanDerWaalsContact C-N 3.26Å; H370-K372 PolarHBondContact O-N 3.47Å; H370-A373 PolarHBondContact O-N 3.18Å; H370-I374 WeakPolarHBondContact O-CG1 3.49Å; H370-I374 PolarHBondContact O-N 3.38Å; H370-I374 VanDerWaalsContact O-N 3.14Å |
| 371 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.7 | -36.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S367 P368 I374 A375 I407 K410 C411 | S367-A371 PolarHBondContact O-N 3.44Å; S367-A371 VanDerWaalsContact O-N 3.13Å; P368-A371 PolarHBondContact O-N 3.33Å; A371-I374 PolarHBondContact O-N 2.66Å; A371-A375 VanDerWaalsContact O-CB 3.27Å; A371-A375 WeakPolarHBondContact O-CB 3.44Å; A371-A375 PolarHBondContact O-N 2.99Å; A371-I407 HydrophobicContact CB-CG2 4.17Å; A371-K410 HydrophobicContact CB-CB 3.68Å; A371-C411 HydrophobicContact CB-CB 4.05Å |
| 372 | K | 97.8 | Very high | 97.7 | Very high | 99 Ų | 99 | 34 Ų | 34 | 43% | 0.43 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.3 | -44.8 | 173.5 | -179.3 | -178.8 | 177.4 | -177.8 | 0 | 111.5 | P368 E369 H370 I374 A375 Q376 | P368-K372 WeakPolarHBondContact O-CB 3.34Å; P368-K372 PolarHBondContact O-N 3.22Å; E369-K372 PolarHBondContact O-N 2.74Å; H370-K372 VanDerWaalsContact C-N 3.26Å; H370-K372 PolarHBondContact O-N 3.47Å; K372-I374 VanDerWaalsContact C-N 3.33Å; K372-I374 PolarHBondContact O-N 3.07Å; K372-A375 PolarHBondContact O-N 2.95Å; K372-Q376 VanDerWaalsContact CE-NE2 3.32Å; K372-Q376 HydrophobicContact CG-CG 4.23Å; K372-Q376 WeakPolarHBondContact O-CB 3.41Å; K372-Q376 VanDerWaalsContact O-CG 3.29Å; K372-Q376 WeakPolarHBondContact O-CG 3.06Å; K372-Q376 PolarHBondContact O-N 2.92Å |
| 373 | A | 98.4 | Very high | 97.7 | Very high | 19 Ų | 19 | 33.5 Ų | 33.5 | 16% | 0.157 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.6 | -42.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I332 E369 H370 A377 | I332-A373 HydrophobicContact CD1-CB 3.89Å; I332-A373 HydrophobicContact CG1-CB 4.2Å; I332-A373 HydrophobicContact CG2-CB 3.65Å; E369-A373 PolarHBondContact O-N 2.63Å; H370-A373 PolarHBondContact O-N 3.18Å; A373-A377 PolarHBondContact O-N 3.35Å |
| 374 | I | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64 | -43.1 | 175.2 | -60.6 | -72.6 | 0 | 0 | 0 | 111.4 | V337 L360 I363 H370 A371 K372 A377 V379 I407 | V337-I374 HydrophobicContact CB-CD1 4.35Å; V337-I374 HydrophobicContact CG1-CD1 3.8Å; V337-I374 HydrophobicContact CG2-CD1 3.64Å; L360-I374 HydrophobicContact CD2-CD1 3.81Å; I363-I374 HydrophobicContact CB-CD1 4.14Å; I363-I374 HydrophobicContact CG2-CD1 3.94Å; I363-I374 HydrophobicContact CG2-CG1 4.39Å; H370-I374 WeakPolarHBondContact O-CG1 3.49Å; H370-I374 PolarHBondContact O-N 3.38Å; H370-I374 VanDerWaalsContact O-N 3.14Å; A371-I374 PolarHBondContact O-N 2.66Å; K372-I374 VanDerWaalsContact C-N 3.33Å; K372-I374 PolarHBondContact O-N 3.07Å; I374-A377 PolarHBondContact O-N 3.13Å; I374-V379 HydrophobicContact CG2-CB 3.63Å; I374-V379 HydrophobicContact CG2-CG1 3.74Å; I374-V379 HydrophobicContact CG2-CG2 4.23Å; I374-V379 WeakPolarHBondContact O-CB 3.47Å; I374-V379 PolarHBondContact O-N 3.19Å; I374-I407 HydrophobicContact CB-CG2 4.2Å; I374-I407 HydrophobicContact CG2-CD1 3.78Å; I374-I407 HydrophobicContact CG2-CG1 4.23Å; I374-I407 HydrophobicContact CG2-CG2 3.94Å |
| 375 | A | 96.4 | Very high | 97.5 | Very high | 10 Ų | 10 | 37.9 Ų | 37.9 | 8% | 0.083 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66 | -42.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A371 K372 A377 D378 L380 A416 | A371-A375 VanDerWaalsContact O-CB 3.27Å; A371-A375 WeakPolarHBondContact O-CB 3.44Å; A371-A375 PolarHBondContact O-N 2.99Å; K372-A375 PolarHBondContact O-N 2.95Å; A375-A377 PolarHBondContact O-N 3.38Å; A375-D378 WeakPolarHBondContact O-CA 3.13Å; A375-D378 PolarHBondContact O-N 2.93Å; A375-L380 HydrophobicContact CB-CD1 4.42Å; A375-A416 HydrophobicContact CB-CB 3.65Å |
| 376 | Q | 96.1 | Very high | 97.4 | Very high | 132 Ų | 132 | 33.9 Ų | 33.9 | 62% | 0.617 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -65.8 | -26.8 | 177.3 | -74.6 | 179 | -37.1 | 0 | 0 | 112.7 | K372 D378 | K372-Q376 VanDerWaalsContact CE-NE2 3.32Å; K372-Q376 HydrophobicContact CG-CG 4.23Å; K372-Q376 WeakPolarHBondContact O-CB 3.41Å; K372-Q376 VanDerWaalsContact O-CG 3.29Å; K372-Q376 WeakPolarHBondContact O-CG 3.06Å; K372-Q376 PolarHBondContact O-N 2.92Å; Q376-D378 PolarHBondContact O-N 3.14Å |
| 377 | A | 96.4 | Very high | 97.3 | Very high | 14 Ų | 14 | 34.1 Ų | 34.1 | 12% | 0.116 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V337 L338 K341 A373 I374 A375 V379 | V337-A377 HydrophobicContact CG1-CB 3.57Å; L338-A377 HydrophobicContact CD2-CB 3.94Å; K341-A377 WeakPolarHBondContact CD-O 3.46Å; K341-A377 WeakPolarHBondContact CE-O 3.47Å; K341-A377 PolarHBondContact NZ-O 3.42Å; A373-A377 PolarHBondContact O-N 3.35Å; I374-A377 PolarHBondContact O-N 3.13Å; A375-A377 PolarHBondContact O-N 3.38Å; A377-V379 VanDerWaalsContact C-N 3.27Å; A377-V379 HydrophobicContact CB-CG2 3.87Å; A377-V379 PolarHBondContact O-N 2.86Å |
| 378 | D | 95 | Very high | 97.2 | Very high | 89 Ų | 89 | 37.7 Ų | 37.7 | 48% | 0.476 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 42.9 | -178.1 | -179 | 45.7 | 0 | 0 | 0 | 112.2 | K341 A375 Q376 N382 | K341-D378 PolarHBondContact NZ-O 2.99Å; K341-D378 IonicContact NZ-OD2 3.46Å; K341-D378 PolarHBondContact NZ-OD2 3.3Å; A375-D378 WeakPolarHBondContact O-CA 3.13Å; A375-D378 PolarHBondContact O-N 2.93Å; Q376-D378 PolarHBondContact O-N 3.14Å; D378-N382 PolarHBondContact O-OD1 3.46Å |
| 379 | V | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -82.1 | -30.1 | -179.6 | 168.4 | 0 | 0 | 0 | 0 | 111.9 | V337 K341 L360 I374 A377 Q381 N382 L383 | V337-V379 HydrophobicContact CG1-CG2 4.09Å; K341-V379 HydrophobicContact CB-CG2 4.04Å; K341-V379 HydrophobicContact CD-CG2 4.08Å; K341-V379 HydrophobicContact CG-CG2 4.43Å; L360-V379 HydrophobicContact CB-CG1 4.43Å; L360-V379 HydrophobicContact CD1-CG1 3.71Å; L360-V379 HydrophobicContact CD2-CG1 4.12Å; L360-V379 HydrophobicContact CD2-CG2 4.24Å; L360-V379 HydrophobicContact CG-CG1 4.3Å; I374-V379 HydrophobicContact CG2-CB 3.63Å; I374-V379 HydrophobicContact CG2-CG1 3.74Å; I374-V379 HydrophobicContact CG2-CG2 4.23Å; I374-V379 WeakPolarHBondContact O-CB 3.47Å; I374-V379 PolarHBondContact O-N 3.19Å; A377-V379 VanDerWaalsContact C-N 3.27Å; A377-V379 HydrophobicContact CB-CG2 3.87Å; A377-V379 PolarHBondContact O-N 2.86Å; V379-Q381 VanDerWaalsContact C-N 3.31Å; V379-Q381 PolarHBondContact O-N 3.4Å; V379-N382 PolarHBondContact O-N 3.44Å; V379-L383 HydrophobicContact CG1-CD1 3.71Å; V379-L383 HydrophobicContact CG1-CG 3.82Å; V379-L383 WeakPolarHBondContact O-CG 3.38Å; V379-L383 PolarHBondContact O-N 3.4Å |
| 380 | L | 97.5 | Very high | 96.6 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.2 | -42 | -175.4 | -70 | 177.1 | 0 | 0 | 0 | 112.2 | A375 L383 L384 L404 I407 I408 L417 | A375-L380 HydrophobicContact CB-CD1 4.42Å; L380-L383 PolarHBondContact O-N 2.82Å; L380-L384 WeakPolarHBondContact O-CB 3.43Å; L380-L384 PolarHBondContact O-N 2.87Å; L380-L404 HydrophobicContact CD2-CD2 3.91Å; L380-I407 HydrophobicContact CD2-CB 4.13Å; L380-I407 HydrophobicContact CD2-CD1 4.45Å; L380-I407 HydrophobicContact CD2-CG2 3.69Å; L380-I408 HydrophobicContact CD2-CG1 4.43Å; L380-L417 HydrophobicContact CD1-CD2 3.76Å |
| 381 | Q | 95.3 | Very high | 96.2 | Very high | 28 Ų | 28 | 46.8 Ų | 46.8 | 13% | 0.131 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.8 | -43.8 | 177.2 | 179.5 | 58.7 | 49.7 | 0 | 0 | 111.2 | V379 L383 L384 E385 | V379-Q381 VanDerWaalsContact C-N 3.31Å; V379-Q381 PolarHBondContact O-N 3.4Å; Q381-L383 PolarHBondContact O-N 3.38Å; Q381-L384 PolarHBondContact O-N 3.35Å; Q381-E385 WeakPolarHBondContact CG-OE1 3.29Å; Q381-E385 PolarHBondContact NE2-OE1 3.14Å; Q381-E385 WeakPolarHBondContact O-CG 3.31Å; Q381-E385 PolarHBondContact O-N 2.96Å |
| 382 | N | 96.9 | Very high | 96 | Very high | 19 Ų | 19 | 47 Ų | 47 | 10% | 0.102 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.1 | -37.3 | 178.2 | -61.7 | 124.7 | 0 | 0 | 0 | 112.7 | K341 L344 I345 D378 V379 L384 E385 C386 | K341-N382 WeakPolarHBondContact CE-OD1 3.43Å; K341-N382 PolarHBondContact NZ-OD1 3.18Å; K341-N382 VanDerWaalsContact NZ-OD1 3.11Å; L344-N382 HydrophobicContact CD2-CB 4.02Å; I345-N382 HydrophobicContact CG1-CB 4.4Å; D378-N382 PolarHBondContact O-OD1 3.46Å; V379-N382 PolarHBondContact O-N 3.44Å; N382-L384 VanDerWaalsContact C-N 3.34Å; N382-E385 PolarHBondContact ND2-OE2 2.88Å; N382-E385 PolarHBondContact O-N 2.97Å; N382-C386 PolarHBondContact O-N 3.04Å; N382-C386 PolarHBondContact O-SG 3.08Å |
| 383 | L | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.1 | -41.2 | 172.7 | -72.7 | 174.9 | 0 | 0 | 0 | 111.5 | L344 A357 L360 V379 L380 Q381 C386 Y387 T400 A403 L404 I407 | L344-L383 HydrophobicContact CD2-CD2 3.86Å; L344-L383 HydrophobicContact CD2-CG 4.3Å; A357-L383 HydrophobicContact CB-CD2 3.55Å; L360-L383 HydrophobicContact CD1-CD2 4.46Å; V379-L383 HydrophobicContact CG1-CD1 3.71Å; V379-L383 HydrophobicContact CG1-CG 3.82Å; V379-L383 WeakPolarHBondContact O-CG 3.38Å; V379-L383 PolarHBondContact O-N 3.4Å; L380-L383 PolarHBondContact O-N 2.82Å; Q381-L383 PolarHBondContact O-N 3.38Å; L383-C386 PolarHBondContact O-N 3.45Å; L383-Y387 PolarHBondContact O-N 3.47Å; L383-T400 HydrophobicContact CD2-CG2 4.3Å; L383-A403 HydrophobicContact CD1-CB 4.09Å; L383-A403 HydrophobicContact CD2-CB 4.4Å; L383-L404 HydrophobicContact CB-CD1 4.28Å; L383-L404 HydrophobicContact CB-CD2 3.75Å; L383-L404 HydrophobicContact CB-CG 3.84Å; L383-L404 HydrophobicContact CD1-CD2 4.21Å; L383-L404 HydrophobicContact CD1-CG 4.33Å; L383-I407 HydrophobicContact CD1-CD1 3.6Å |
| 384 | L | 97.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 176.9 | 179.9 | 63.1 | 0 | 0 | 0 | 111.5 | L380 Q381 N382 C386 Y387 L388 L404 L420 K423 A424 | L380-L384 WeakPolarHBondContact O-CB 3.43Å; L380-L384 PolarHBondContact O-N 2.87Å; Q381-L384 PolarHBondContact O-N 3.35Å; N382-L384 VanDerWaalsContact C-N 3.34Å; L384-C386 VanDerWaalsContact C-N 3.34Å; L384-C386 PolarHBondContact O-N 3Å; L384-Y387 WeakPolarHBondContact O-CB 3.29Å; L384-Y387 PolarHBondContact O-N 3.08Å; L384-Y387 VanDerWaalsContact O-N 3.17Å; L384-L388 HydrophobicContact CD1-CD1 3.92Å; L384-L388 HydrophobicContact CD1-CG 4.01Å; L384-L388 HydrophobicContact CD2-CD1 4.36Å; L384-L388 HydrophobicContact CG-CD1 3.82Å; L384-L388 HydrophobicContact CG-CG 4.29Å; L384-L388 WeakPolarHBondContact O-CB 3.43Å; L384-L388 VanDerWaalsContact O-CG 3.32Å; L384-L388 WeakPolarHBondContact O-CG 3.12Å; L384-L388 PolarHBondContact O-N 3.44Å; L384-L404 HydrophobicContact CB-CD1 4.49Å; L384-L420 HydrophobicContact CB-CD2 4.44Å; L384-L420 HydrophobicContact CD2-CD2 3.74Å; L384-K423 HydrophobicContact CD2-CB 3.77Å; L384-A424 HydrophobicContact CD1-CB 4.23Å; L384-A424 HydrophobicContact CD2-CB 4.29Å |
| 385 | E | 96.1 | Very high | 95.8 | Very high | 91 Ų | 91 | 53.9 Ų | 53.9 | 43% | 0.425 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.6 | -45.5 | 174.8 | -76.3 | 163.1 | -171.3 | 0 | 0 | 111.6 | Q381 N382 Y387 L388 K389 | Q381-E385 WeakPolarHBondContact CG-OE1 3.29Å; Q381-E385 PolarHBondContact NE2-OE1 3.14Å; Q381-E385 WeakPolarHBondContact O-CG 3.31Å; Q381-E385 PolarHBondContact O-N 2.96Å; N382-E385 PolarHBondContact ND2-OE2 2.88Å; N382-E385 PolarHBondContact O-N 2.97Å; E385-Y387 VanDerWaalsContact C-N 3.31Å; E385-Y387 PolarHBondContact O-N 2.83Å; E385-L388 PolarHBondContact O-N 2.94Å; E385-K389 WeakPolarHBondContact O-CG 3.25Å; E385-K389 PolarHBondContact O-N 3.35Å; E385-K389 VanDerWaalsContact O-N 3.11Å |
| 386 | C | 96.9 | Very high | 95.9 | Very high | 8 Ų | 8 | 53.4 Ų | 53.4 | 5% | 0.054 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.6 | -39.3 | 175.7 | -67.6 | 0 | 0 | 0 | 0 | 112.2 | N382 L383 L384 L388 L396 T400 | N382-C386 PolarHBondContact O-N 3.04Å; N382-C386 PolarHBondContact O-SG 3.08Å; L383-C386 PolarHBondContact O-N 3.45Å; L384-C386 VanDerWaalsContact C-N 3.34Å; L384-C386 PolarHBondContact O-N 3Å; C386-L388 VanDerWaalsContact C-N 3.35Å; C386-L396 HydrophobicContact CB-CD1 4.37Å; C386-T400 HydrophobicContact CB-CG2 3.72Å |
| 387 | Y | 97 | Very high | 96 | Very high | 42 Ų | 42 | 49.6 Ų | 49.6 | 17% | 0.165 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.5 | -35.6 | 176.1 | -179.6 | -97 | 0 | 0 | 0 | 112.8 | L383 L384 E385 K397 K401 P425 S427 I428 | L383-Y387 PolarHBondContact O-N 3.47Å; L384-Y387 WeakPolarHBondContact O-CB 3.29Å; L384-Y387 PolarHBondContact O-N 3.08Å; L384-Y387 VanDerWaalsContact O-N 3.17Å; E385-Y387 VanDerWaalsContact C-N 3.31Å; E385-Y387 PolarHBondContact O-N 2.83Å; Y387-K397 HydrophobicContact CD2-CB 4.31Å; Y387-K397 WeakPolarHBondContact CD2-O 3.46Å; Y387-K397 HydrophobicContact CE2-CB 4.31Å; Y387-K401 HydrophobicContact CD2-CB 3.91Å; Y387-K401 HydrophobicContact CE2-CB 3.69Å; Y387-K401 HydrophobicContact CE2-CD 4.03Å; Y387-K401 HydrophobicContact CE2-CG 4.26Å; Y387-P425 HydrophobicContact CD1-CG 4.01Å; Y387-P425 HydrophobicContact CE1-CG 3.54Å; Y387-S427 PolarHBondContact OH-OG 3.23Å; Y387-I428 HydrophobicContact CD1-CG1 4.27Å; Y387-I428 HydrophobicContact CE1-CG1 4.17Å |
| 388 | L | 96.1 | Very high | 96.1 | Very high | 83 Ų | 83 | 51.6 Ų | 51.6 | 44% | 0.435 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -85.7 | -6.6 | -176.6 | -71.6 | 178.8 | 0 | 0 | 0 | 114.4 | L384 E385 C386 P390 P425 | L384-L388 HydrophobicContact CD1-CD1 3.92Å; L384-L388 HydrophobicContact CD1-CG 4.01Å; L384-L388 HydrophobicContact CD2-CD1 4.36Å; L384-L388 HydrophobicContact CG-CD1 3.82Å; L384-L388 HydrophobicContact CG-CG 4.29Å; L384-L388 WeakPolarHBondContact O-CB 3.43Å; L384-L388 VanDerWaalsContact O-CG 3.32Å; L384-L388 WeakPolarHBondContact O-CG 3.12Å; L384-L388 PolarHBondContact O-N 3.44Å; E385-L388 PolarHBondContact O-N 2.94Å; C386-L388 VanDerWaalsContact C-N 3.35Å; L388-P390 WeakPolarHBondContact O-CD 3.17Å; L388-P425 HydrophobicContact CD2-CG 3.84Å |
| 389 | K | 94.7 | Very high | 96.3 | Very high | 73 Ų | 73 | 50.3 Ų | 50.3 | 32% | 0.317 | 27% | 0.267 | S | S | . | . | trans | -53.6 | 121.3 | 174 | -78.3 | 179.8 | -174.5 | -177.6 | 0 | 109.5 | Q353 E385 N391 A392 | Q353-K389 VanDerWaalsContact CD-NZ 3.34Å; E385-K389 WeakPolarHBondContact O-CG 3.25Å; E385-K389 PolarHBondContact O-N 3.35Å; E385-K389 VanDerWaalsContact O-N 3.11Å; K389-N391 VanDerWaalsContact C-N 3.25Å; K389-N391 PolarHBondContact O-N 3.37Å; K389-N391 VanDerWaalsContact O-N 3.15Å; K389-A392 HydrophobicContact CB-CB 3.74Å; K389-A392 PolarHBondContact O-N 3.32Å; K389-A392 VanDerWaalsContact O-N 3.13Å | ||
| 390 | P | 89.5 | Confident | 96.3 | Very high | 116 Ų | 116 | 50.3 Ų | 50.3 | 75% | 0.753 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -40.6 | -173.7 | -29.5 | 34.5 | 0 | 0 | 0 | 113.9 | L388 | L388-P390 WeakPolarHBondContact O-CD 3.17Š|
| 391 | N | 90.2 | Very high | 96.4 | Very high | 152 Ų | 152 | 54 Ų | 54 | 81% | 0.813 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | 18.5 | -175.4 | -60.9 | -24.5 | 0 | 0 | 0 | 113.4 | K389 S393 | K389-N391 VanDerWaalsContact C-N 3.25Å; K389-N391 PolarHBondContact O-N 3.37Å; K389-N391 VanDerWaalsContact O-N 3.15Å; N391-S393 PolarHBondContact O-N 3.2Å |
| 392 | A | 93.6 | Very high | 96.5 | Very high | 4 Ų | 4 | 58.5 Ų | 58.5 | 3% | 0.033 | 30% | 0.302 | C | S | . | . | trans | -62.3 | 137.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E350 K389 L396 K397 | E350-A392 WeakPolarHBondContact OE1-CA 3.34Å; K389-A392 HydrophobicContact CB-CB 3.74Å; K389-A392 PolarHBondContact O-N 3.32Å; K389-A392 VanDerWaalsContact O-N 3.13Å; A392-L396 HydrophobicContact CB-CD2 3.92Å; A392-L396 HydrophobicContact CB-CG 4.42Å; A392-K397 HydrophobicContact CB-CG 4.02Å; A392-K397 WeakPolarHBondContact O-CE 3.46Å; A392-K397 PolarHBondContact O-NZ 3.04Å; A392-K397 VanDerWaalsContact O-NZ 3.08Å | ||
| 393 | S | 96.7 | Very high | 96.6 | Very high | 44 Ų | 44 | 57.7 Ų | 57.7 | 31% | 0.308 | 30% | 0.298 | S | S | . | . | trans | -56.7 | 153.8 | 173.1 | 56 | 0 | 0 | 0 | 0 | 112.4 | E350 N391 D395 L396 K397 | E350-S393 WeakPolarHBondContact OE2-CA 3.27Å; E350-S393 WeakPolarHBondContact OE2-CB 3.31Å; E350-S393 PolarHBondContact OE2-N 2.81Å; E350-S393 PolarHBondContact OE2-OG 3.17Å; N391-S393 PolarHBondContact O-N 3.2Å; S393-D395 VanDerWaalsContact C-N 3.26Å; S393-D395 PolarHBondContact O-N 2.99Å; S393-L396 PolarHBondContact O-N 2.99Å; S393-L396 WeakPolarHBondContact OG-CB 3.29Å; S393-L396 PolarHBondContact OG-N 3.41Å; S393-K397 PolarHBondContact O-N 3.35Å | ||
| 394 | E | 96.9 | Very high | 96.6 | Very high | 146 Ų | 146 | 57.7 Ų | 57.7 | 68% | 0.682 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -60.1 | -36.3 | 178.2 | -67.7 | -56 | 122.3 | 0 | 0 | 112.2 | K397 A398 | E394-K397 PolarHBondContact O-N 2.89Å; E394-A398 WeakPolarHBondContact O-CB 3.24Å; E394-A398 PolarHBondContact O-N 3.33Å |
| 395 | D | 97.8 | Very high | 96.7 | Very high | 73 Ų | 73 | 61.9 Ų | 61.9 | 39% | 0.39 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.1 | -45.3 | 176.8 | -174.6 | 60.4 | 0 | 0 | 0 | 111.8 | A354 S393 A398 K399 | A354-D395 WeakPolarHBondContact CB-OD2 3.42Å; S393-D395 VanDerWaalsContact C-N 3.26Å; S393-D395 PolarHBondContact O-N 2.99Å; D395-A398 PolarHBondContact O-N 3.19Å; D395-K399 WeakPolarHBondContact O-CB 3.17Å; D395-K399 PolarHBondContact O-N 3.17Å; D395-K399 WeakPolarHBondContact OD1-CE 3.39Å; D395-K399 IonicContact OD1-NZ 3.44Å; D395-K399 PolarHBondContact OD1-NZ 3.41Å; D395-K399 IonicContact OD2-NZ 3.39Å; D395-K399 PolarHBondContact OD2-NZ 3.46Å |
| 396 | L | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.1 | -47.1 | 176.4 | 179 | 59.4 | 0 | 0 | 0 | 111.3 | E350 Q353 A354 C386 A392 S393 A398 T400 | E350-L396 HydrophobicContact CB-CB 4.45Å; E350-L396 HydrophobicContact CB-CD2 4.07Å; E350-L396 HydrophobicContact CG-CD2 4.05Å; Q353-L396 HydrophobicContact CB-CD1 3.75Å; Q353-L396 HydrophobicContact CB-CD2 4.49Å; A354-L396 HydrophobicContact CB-CB 4.22Å; A354-L396 HydrophobicContact CB-CD1 4Å; C386-L396 HydrophobicContact CB-CD1 4.37Å; A392-L396 HydrophobicContact CB-CD2 3.92Å; A392-L396 HydrophobicContact CB-CG 4.42Å; S393-L396 PolarHBondContact O-N 2.99Å; S393-L396 WeakPolarHBondContact OG-CB 3.29Å; S393-L396 PolarHBondContact OG-N 3.41Å; L396-A398 PolarHBondContact O-N 3.49Å; L396-T400 HydrophobicContact CD1-CG2 3.75Å; L396-T400 HydrophobicContact CG-CG2 4.35Å; L396-T400 WeakPolarHBondContact O-CB 3.39Å; L396-T400 VanDerWaalsContact O-CG2 3.25Å; L396-T400 WeakPolarHBondContact O-CG2 3.44Å; L396-T400 PolarHBondContact O-N 3.47Å; L396-T400 PolarHBondContact O-OG1 3.47Å |
| 397 | K | 97.9 | Very high | 96.9 | Very high | 53 Ų | 53 | 59 Ų | 59 | 23% | 0.23 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 176.8 | -74.9 | 175.9 | 178.6 | 158.4 | 0 | 111.9 | Y387 A392 S393 E394 T400 K401 | Y387-K397 HydrophobicContact CD2-CB 4.31Å; Y387-K397 WeakPolarHBondContact CD2-O 3.46Å; Y387-K397 HydrophobicContact CE2-CB 4.31Å; A392-K397 HydrophobicContact CB-CG 4.02Å; A392-K397 WeakPolarHBondContact O-CE 3.46Å; A392-K397 PolarHBondContact O-NZ 3.04Å; A392-K397 VanDerWaalsContact O-NZ 3.08Å; S393-K397 PolarHBondContact O-N 3.35Å; E394-K397 PolarHBondContact O-N 2.89Å; K397-T400 WeakPolarHBondContact CA-OG1 3.44Å; K397-T400 PolarHBondContact O-OG1 3.13Å; K397-T400 VanDerWaalsContact O-OG1 3.08Å; K397-K401 WeakPolarHBondContact O-CB 3.49Å; K397-K401 PolarHBondContact O-N 3.15Å |
| 398 | A | 98.3 | Very high | 96.9 | Very high | 56 Ų | 56 | 57 Ų | 57 | 46% | 0.463 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.6 | -47.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | E394 D395 L396 K402 | E394-A398 WeakPolarHBondContact O-CB 3.24Å; E394-A398 PolarHBondContact O-N 3.33Å; D395-A398 PolarHBondContact O-N 3.19Å; L396-A398 PolarHBondContact O-N 3.49Å; A398-K402 VanDerWaalsContact O-CB 3.29Å; A398-K402 WeakPolarHBondContact O-CB 3.23Å; A398-K402 PolarHBondContact O-N 3.41Å |
| 399 | K | 98.7 | Very high | 97 | Very high | 61 Ų | 61 | 56.8 Ų | 56.8 | 27% | 0.265 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -70.4 | -40.8 | -178.9 | -76.8 | 166.3 | 176.3 | 159.8 | 0 | 112.4 | A354 W358 D395 K402 A403 | A354-K399 HydrophobicContact CB-CD 3.8Å; A354-K399 WeakPolarHBondContact O-CD 3.29Å; W358-K399 HydrophobicContact CB-CB 4.34Å; W358-K399 HydrophobicContact CB-CD 4.07Å; W358-K399 HydrophobicContact CB-CG 4.12Å; D395-K399 WeakPolarHBondContact O-CB 3.17Å; D395-K399 PolarHBondContact O-N 3.17Å; D395-K399 WeakPolarHBondContact OD1-CE 3.39Å; D395-K399 IonicContact OD1-NZ 3.44Å; D395-K399 PolarHBondContact OD1-NZ 3.41Å; D395-K399 IonicContact OD2-NZ 3.39Å; D395-K399 PolarHBondContact OD2-NZ 3.46Å; K399-K402 PolarHBondContact O-N 2.77Å; K399-A403 VanDerWaalsContact O-CB 3.29Å; K399-A403 WeakPolarHBondContact O-CB 3.48Å; K399-A403 PolarHBondContact O-N 3.46Å |
| 400 | T | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 174.9 | 51.1 | 0 | 0 | 0 | 0 | 111.9 | A357 L383 C386 L396 K397 K402 A403 L404 | A357-T400 HydrophobicContact CB-CG2 3.67Å; L383-T400 HydrophobicContact CD2-CG2 4.3Å; C386-T400 HydrophobicContact CB-CG2 3.72Å; L396-T400 HydrophobicContact CD1-CG2 3.75Å; L396-T400 HydrophobicContact CG-CG2 4.35Å; L396-T400 WeakPolarHBondContact O-CB 3.39Å; L396-T400 VanDerWaalsContact O-CG2 3.25Å; L396-T400 WeakPolarHBondContact O-CG2 3.44Å; L396-T400 PolarHBondContact O-N 3.47Å; L396-T400 PolarHBondContact O-OG1 3.47Å; K397-T400 WeakPolarHBondContact CA-OG1 3.44Å; K397-T400 PolarHBondContact O-OG1 3.13Å; K397-T400 VanDerWaalsContact O-OG1 3.08Å; T400-K402 PolarHBondContact O-N 2.9Å; T400-A403 PolarHBondContact O-N 2.9Å; T400-L404 WeakPolarHBondContact O-CB 3.48Å; T400-L404 WeakPolarHBondContact O-CG 3.44Å; T400-L404 PolarHBondContact O-N 3.41Å |
| 401 | K | 98.3 | Very high | 97.5 | Very high | 83 Ų | 83 | 51.6 Ų | 51.6 | 36% | 0.361 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.4 | -46 | 174.1 | 177.6 | 173.2 | -179.2 | -177.9 | 0 | 112.3 | Y387 K397 K405 I428 | Y387-K401 HydrophobicContact CD2-CB 3.91Å; Y387-K401 HydrophobicContact CE2-CB 3.69Å; Y387-K401 HydrophobicContact CE2-CD 4.03Å; Y387-K401 HydrophobicContact CE2-CG 4.26Å; K397-K401 WeakPolarHBondContact O-CB 3.49Å; K397-K401 PolarHBondContact O-N 3.15Å; K401-K405 WeakPolarHBondContact O-CB 3.25Å; K401-K405 PolarHBondContact O-N 3.11Å; K401-I428 HydrophobicContact CB-CD1 4.15Å; K401-I428 HydrophobicContact CG-CD1 3.76Å |
| 402 | K | 98.7 | Very high | 97.7 | Very high | 124 Ų | 124 | 48.7 Ų | 48.7 | 54% | 0.539 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.3 | -43.7 | 178.6 | -173.2 | 173.3 | -178.7 | 176.3 | 0 | 111.1 | A398 K399 T400 K405 L406 | A398-K402 VanDerWaalsContact O-CB 3.29Å; A398-K402 WeakPolarHBondContact O-CB 3.23Å; A398-K402 PolarHBondContact O-N 3.41Å; K399-K402 PolarHBondContact O-N 2.77Å; T400-K402 PolarHBondContact O-N 2.9Å; K402-K405 PolarHBondContact O-N 3.11Å; K402-L406 HydrophobicContact CG-CD1 4.12Å; K402-L406 VanDerWaalsContact O-CG 3.29Å; K402-L406 WeakPolarHBondContact O-CG 3.18Å; K402-L406 PolarHBondContact O-N 3.13Å |
| 403 | A | 98.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 2% | 0.017 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.9 | -52.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A357 L383 K399 T400 K405 L406 I407 | A357-A403 WeakPolarHBondContact O-CB 3.48Å; L383-A403 HydrophobicContact CD1-CB 4.09Å; L383-A403 HydrophobicContact CD2-CB 4.4Å; K399-A403 VanDerWaalsContact O-CB 3.29Å; K399-A403 WeakPolarHBondContact O-CB 3.48Å; K399-A403 PolarHBondContact O-N 3.46Å; T400-A403 PolarHBondContact O-N 2.9Å; A403-K405 VanDerWaalsContact C-N 3.33Å; A403-K405 PolarHBondContact O-N 3.24Å; A403-L406 PolarHBondContact O-N 2.93Å; A403-L406 VanDerWaalsContact O-N 3.14Å; A403-I407 HydrophobicContact CB-CD1 4.37Å; A403-I407 VanDerWaalsContact O-CD1 3.31Å; A403-I407 WeakPolarHBondContact O-CD1 3.08Å; A403-I407 VanDerWaalsContact O-CG1 3.24Å; A403-I407 WeakPolarHBondContact O-CG1 3.31Å; A403-I407 PolarHBondContact O-N 3.06Å |
| 404 | L | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -53 | -50 | 175.9 | -77.2 | 167.5 | 0 | 0 | 0 | 111.3 | L380 L383 L384 T400 L406 I407 I408 I428 | L380-L404 HydrophobicContact CD2-CD2 3.91Å; L383-L404 HydrophobicContact CB-CD1 4.28Å; L383-L404 HydrophobicContact CB-CD2 3.75Å; L383-L404 HydrophobicContact CB-CG 3.84Å; L383-L404 HydrophobicContact CD1-CD2 4.21Å; L383-L404 HydrophobicContact CD1-CG 4.33Å; L384-L404 HydrophobicContact CB-CD1 4.49Å; T400-L404 WeakPolarHBondContact O-CB 3.48Å; T400-L404 WeakPolarHBondContact O-CG 3.44Å; T400-L404 PolarHBondContact O-N 3.41Å; L404-L406 PolarHBondContact O-N 3.07Å; L404-I407 PolarHBondContact O-N 3.35Å; L404-I408 HydrophobicContact CB-CD1 4.2Å; L404-I408 VanDerWaalsContact O-CB 3.25Å; L404-I408 WeakPolarHBondContact O-CB 3.25Å; L404-I408 VanDerWaalsContact O-CD1 3.31Å; L404-I408 WeakPolarHBondContact O-CD1 3.4Å; L404-I408 WeakPolarHBondContact O-CG1 3.32Å; L404-I408 PolarHBondContact O-N 3.13Å; L404-I428 HydrophobicContact CB-CD1 4.23Å; L404-I428 HydrophobicContact CB-CG2 4.47Å; L404-I428 HydrophobicContact CD1-CD1 3.93Å; L404-I428 HydrophobicContact CD1-CG1 4.21Å; L404-I428 HydrophobicContact CD1-CG2 4.19Å |
| 405 | K | 98.3 | Very high | 97.2 | Very high | 89 Ų | 89 | 47.3 Ų | 47.3 | 39% | 0.387 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -55.7 | -50.7 | 177.3 | 177.4 | -175.5 | 172 | -173.3 | 0 | 111.9 | K401 K402 A403 Q409 | K401-K405 WeakPolarHBondContact O-CB 3.25Å; K401-K405 PolarHBondContact O-N 3.11Å; K402-K405 PolarHBondContact O-N 3.11Å; A403-K405 VanDerWaalsContact C-N 3.33Å; A403-K405 PolarHBondContact O-N 3.24Å; K405-Q409 WeakPolarHBondContact O-CB 3.46Å; K405-Q409 WeakPolarHBondContact O-CG 3.43Å; K405-Q409 PolarHBondContact O-N 3.35Å; K405-Q409 VanDerWaalsContact O-N 3.13Å |
| 406 | L | 98.7 | Very high | 97 | Very high | 39 Ų | 39 | 45 Ų | 45 | 20% | 0.204 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.1 | -42.4 | -177 | -71.1 | 172.2 | 0 | 0 | 0 | 112 | R365 K402 A403 L404 | R365-L406 HydrophobicContact CB-CB 3.95Å; R365-L406 HydrophobicContact CB-CD1 4.23Å; R365-L406 HydrophobicContact CB-CD2 4.18Å; R365-L406 HydrophobicContact CB-CG 4.34Å; K402-L406 HydrophobicContact CG-CD1 4.12Å; K402-L406 VanDerWaalsContact O-CG 3.29Å; K402-L406 WeakPolarHBondContact O-CG 3.18Å; K402-L406 PolarHBondContact O-N 3.13Å; A403-L406 PolarHBondContact O-N 2.93Å; A403-L406 VanDerWaalsContact O-N 3.14Å; L404-L406 PolarHBondContact O-N 3.07Å |
| 407 | I | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.3 | -48.5 | -179.7 | -60.7 | 154.8 | 0 | 0 | 0 | 110.5 | A371 I374 L380 L383 A403 L404 Q409 K410 C411 | A371-I407 HydrophobicContact CB-CG2 4.17Å; I374-I407 HydrophobicContact CB-CG2 4.2Å; I374-I407 HydrophobicContact CG2-CD1 3.78Å; I374-I407 HydrophobicContact CG2-CG1 4.23Å; I374-I407 HydrophobicContact CG2-CG2 3.94Å; L380-I407 HydrophobicContact CD2-CB 4.13Å; L380-I407 HydrophobicContact CD2-CD1 4.45Å; L380-I407 HydrophobicContact CD2-CG2 3.69Å; L383-I407 HydrophobicContact CD1-CD1 3.6Å; A403-I407 HydrophobicContact CB-CD1 4.37Å; A403-I407 VanDerWaalsContact O-CD1 3.31Å; A403-I407 WeakPolarHBondContact O-CD1 3.08Å; A403-I407 VanDerWaalsContact O-CG1 3.24Å; A403-I407 WeakPolarHBondContact O-CG1 3.31Å; A403-I407 PolarHBondContact O-N 3.06Å; L404-I407 PolarHBondContact O-N 3.35Å; I407-Q409 VanDerWaalsContact C-N 3.29Å; I407-Q409 PolarHBondContact O-N 3.33Å; I407-K410 PolarHBondContact O-N 2.87Å; I407-C411 WeakPolarHBondContact O-CB 3.41Å; I407-C411 PolarHBondContact O-N 3.21Å |
| 408 | I | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.1 | -42.2 | -177.9 | -68.2 | 164.3 | 0 | 0 | 0 | 110.8 | L380 L404 K410 C411 L417 L420 I428 H431 Q435 | L380-I408 HydrophobicContact CD2-CG1 4.43Å; L404-I408 HydrophobicContact CB-CD1 4.2Å; L404-I408 VanDerWaalsContact O-CB 3.25Å; L404-I408 WeakPolarHBondContact O-CB 3.25Å; L404-I408 VanDerWaalsContact O-CD1 3.31Å; L404-I408 WeakPolarHBondContact O-CD1 3.4Å; L404-I408 WeakPolarHBondContact O-CG1 3.32Å; L404-I408 PolarHBondContact O-N 3.13Å; I408-K410 PolarHBondContact O-N 2.93Å; I408-C411 PolarHBondContact O-N 2.85Å; I408-C411 VanDerWaalsContact O-N 3.13Å; I408-L417 HydrophobicContact CB-CD2 4.45Å; I408-L417 HydrophobicContact CG1-CD2 4Å; I408-L417 HydrophobicContact CG2-CD1 4.36Å; I408-L417 HydrophobicContact CG2-CD2 4.27Å; I408-L420 HydrophobicContact CD1-CD1 3.56Å; I408-L420 HydrophobicContact CG1-CD1 3.91Å; I408-I428 HydrophobicContact CD1-CG2 4.04Å; I408-H431 HydrophobicContact CD1-CB 4.45Å; I408-H431 HydrophobicContact CG2-CB 4.16Å; I408-H431 VanDerWaalsContact CG2-O 3.28Å; I408-H431 WeakPolarHBondContact CG2-O 3.37Å; I408-Q435 HydrophobicContact CG2-CB 4.04Å; I408-Q435 VanDerWaalsContact O-CD 3.29Å; I408-Q435 VanDerWaalsContact O-CG 3.23Å; I408-Q435 WeakPolarHBondContact O-CG 3.42Å |
| 409 | Q | 97.6 | Very high | 96.3 | Very high | 77 Ų | 77 | 43.6 Ų | 43.6 | 36% | 0.36 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -17 | 179.7 | -75.5 | 177.9 | -17.9 | 0 | 0 | 114.3 | K405 I407 Q435 | K405-Q409 WeakPolarHBondContact O-CB 3.46Å; K405-Q409 WeakPolarHBondContact O-CG 3.43Å; K405-Q409 PolarHBondContact O-N 3.35Å; K405-Q409 VanDerWaalsContact O-N 3.13Å; I407-Q409 VanDerWaalsContact C-N 3.29Å; I407-Q409 PolarHBondContact O-N 3.33Å; Q409-Q435 PolarHBondContact O-OE1 3.46Å |
| 410 | K | 97.9 | Very high | 96.1 | Very high | 81 Ų | 81 | 40.8 Ų | 40.8 | 35% | 0.352 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -16.9 | 178.1 | -63.2 | -64.9 | 178.9 | 151 | 0 | 112.4 | R365 H366 P368 A371 I407 I408 I412 | R365-K410 VanDerWaalsContact O-CE 3.25Å; R365-K410 WeakPolarHBondContact O-CE 3.4Å; H366-K410 WeakPolarHBondContact O-CE 3.25Å; H366-K410 PolarHBondContact O-NZ 3.17Å; P368-K410 VanDerWaalsContact CA-O 3.25Å; P368-K410 WeakPolarHBondContact CA-O 3.39Å; A371-K410 HydrophobicContact CB-CB 3.68Å; I407-K410 PolarHBondContact O-N 2.87Å; I408-K410 PolarHBondContact O-N 2.93Å; K410-I412 PolarHBondContact O-N 2.9Å |
| 411 | C | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -72.6 | 114.6 | -176.9 | -167.5 | 0 | 0 | 0 | 0 | 111.3 | A371 I407 I408 N413 L417 Q435 | A371-C411 HydrophobicContact CB-CB 4.05Å; I407-C411 WeakPolarHBondContact O-CB 3.41Å; I407-C411 PolarHBondContact O-N 3.21Å; I408-C411 PolarHBondContact O-N 2.85Å; I408-C411 VanDerWaalsContact O-N 3.13Å; C411-N413 PolarHBondContact SG-O 2.87Å; C411-L417 HydrophobicContact CB-CD1 4.14Å; C411-L417 HydrophobicContact CB-CD2 3.95Å; C411-L417 HydrophobicContact CB-CG 4.23Å; C411-Q435 VanDerWaalsContact O-CG 3.24Å; C411-Q435 WeakPolarHBondContact O-CG 3.28Å; C411-Q435 PolarHBondContact O-NE2 3.47Å | ||
| 412 | I | 94.6 | Very high | 95.4 | Very high | 91 Ų | 91 | 44.3 Ų | 44.3 | 47% | 0.467 | 22% | 0.217 | S | C | . | . | trans | -96.2 | -9.5 | 170.1 | 64.4 | 176.8 | 0 | 0 | 0 | 112.2 | P368 K410 L414 V439 | P368-I412 HydrophobicContact CB-CD1 3.78Å; P368-I412 HydrophobicContact CB-CG1 3.95Å; P368-I412 HydrophobicContact CB-CG2 4.11Å; P368-I412 HydrophobicContact CG-CG2 4.28Å; K410-I412 PolarHBondContact O-N 2.9Å; I412-L414 VanDerWaalsContact C-N 3.32Å; I412-L414 PolarHBondContact O-N 2.92Å; I412-V439 HydrophobicContact CG2-CG2 4.26Å | ||
| 413 | N | 90.4 | Very high | 95 | Very high | 42 Ų | 42 | 43.7 Ų | 43.7 | 23% | 0.225 | 21% | 0.214 | C | C | . | . | trans | -76.5 | 86.1 | 173.2 | -174.4 | -2.3 | 0 | 0 | 0 | 109.4 | C411 E415 A416 | C411-N413 PolarHBondContact SG-O 2.87Å; N413-E415 PolarHBondContact O-N 3.12Å; N413-E415 WeakPolarHBondContact OD1-CB 3.42Å; N413-E415 PolarHBondContact OD1-N 3.49Å; N413-A416 HydrophobicContact CB-CB 4.49Å; N413-A416 PolarHBondContact O-N 3.1Å; N413-A416 VanDerWaalsContact O-N 3.16Å | ||
| 414 | L | 92.2 | Very high | 94.7 | Very high | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.3 | -28 | -174.8 | -62.6 | -169 | 0 | 0 | 0 | 113.2 | I412 A416 L417 E418 F436 V439 L440 A446 W449 | I412-L414 VanDerWaalsContact C-N 3.32Å; I412-L414 PolarHBondContact O-N 2.92Å; L414-A416 PolarHBondContact O-N 2.91Å; L414-L417 HydrophobicContact CD2-CD1 4.15Å; L414-L417 PolarHBondContact O-N 3.32Å; L414-E418 PolarHBondContact O-N 2.98Å; L414-F436 HydrophobicContact CB-CD1 4.29Å; L414-F436 HydrophobicContact CB-CE1 3.65Å; L414-F436 HydrophobicContact CB-CZ 4.23Å; L414-F436 HydrophobicContact CD1-CD1 3.75Å; L414-F436 HydrophobicContact CD1-CE1 3.93Å; L414-F436 HydrophobicContact CD2-CD1 3.95Å; L414-F436 HydrophobicContact CD2-CE1 4.02Å; L414-F436 HydrophobicContact CD2-CG 4.43Å; L414-F436 HydrophobicContact CG-CD1 4.22Å; L414-F436 HydrophobicContact CG-CE1 4.08Å; L414-V439 HydrophobicContact CD1-CB 4.16Å; L414-V439 HydrophobicContact CD1-CG1 3.94Å; L414-V439 HydrophobicContact CD2-CB 4.02Å; L414-V439 HydrophobicContact CD2-CG1 4.17Å; L414-V439 HydrophobicContact CD2-CG2 4.2Å; L414-V439 HydrophobicContact CG-CB 4.39Å; L414-V439 HydrophobicContact CG-CG1 4.08Å; L414-L440 HydrophobicContact CD1-CD2 3.71Å; L414-L440 HydrophobicContact CD1-CG 4.05Å; L414-A446 HydrophobicContact CD1-CB 3.87Å; L414-W449 VanDerWaalsContact C-CH2 3.47Å; L414-W449 HydrophobicContact CB-CE3 4.37Å; L414-W449 HydrophobicContact CB-CH2 4.14Å; L414-W449 HydrophobicContact CB-CZ3 3.56Å; L414-W449 WeakPolarHBondContact O-CH2 3.44Å |
| 415 | E | 92.8 | Very high | 94.4 | Very high | 117 Ų | 117 | 45.5 Ų | 45.5 | 55% | 0.547 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -57.4 | -40.6 | 174.3 | -66.6 | 169.2 | 178 | 0 | 0 | 111.5 | N413 L417 P419 W449 | N413-E415 PolarHBondContact O-N 3.12Å; N413-E415 WeakPolarHBondContact OD1-CB 3.42Å; N413-E415 PolarHBondContact OD1-N 3.49Å; E415-L417 VanDerWaalsContact C-N 3.29Å; E415-L417 PolarHBondContact O-N 3.42Å; E415-P419 WeakPolarHBondContact O-CD 3.24Å; E415-W449 VanDerWaalsContact CA-CH2 3.46Å; E415-W449 VanDerWaalsContact CA-CZ2 3.46Å; E415-W449 HydrophobicContact CB-CH2 4.34Å; E415-W449 HydrophobicContact CB-CZ2 3.93Å; E415-W449 HydrophobicContact CG-CD2 4.07Å; E415-W449 VanDerWaalsContact CG-CE2 3.44Å; E415-W449 HydrophobicContact CG-CH2 4.05Å; E415-W449 HydrophobicContact CG-CZ2 3.46Å; E415-W449 VanDerWaalsContact CG-CZ2 3.46Å |
| 416 | A | 93.1 | Very high | 94 | Very high | 25 Ų | 25 | 45.8 Ų | 45.8 | 21% | 0.207 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -73.8 | -19.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A375 N413 L414 | A375-A416 HydrophobicContact CB-CB 3.65Å; N413-A416 HydrophobicContact CB-CB 4.49Å; N413-A416 PolarHBondContact O-N 3.1Å; N413-A416 VanDerWaalsContact O-N 3.16Å; L414-A416 PolarHBondContact O-N 2.91Å |
| 417 | L | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -89.7 | -23.2 | 178.2 | -62.4 | -174.2 | 0 | 0 | 0 | 112.9 | L380 I408 C411 L414 E415 P419 L420 Q435 F436 | L380-L417 HydrophobicContact CD1-CD2 3.76Å; I408-L417 HydrophobicContact CB-CD2 4.45Å; I408-L417 HydrophobicContact CG1-CD2 4Å; I408-L417 HydrophobicContact CG2-CD1 4.36Å; I408-L417 HydrophobicContact CG2-CD2 4.27Å; C411-L417 HydrophobicContact CB-CD1 4.14Å; C411-L417 HydrophobicContact CB-CD2 3.95Å; C411-L417 HydrophobicContact CB-CG 4.23Å; L414-L417 HydrophobicContact CD2-CD1 4.15Å; L414-L417 PolarHBondContact O-N 3.32Å; E415-L417 VanDerWaalsContact C-N 3.29Å; E415-L417 PolarHBondContact O-N 3.42Å; L417-P419 VanDerWaalsContact C-CD 3.47Å; L417-L420 HydrophobicContact CD2-CD1 4.12Å; L417-L420 VanDerWaalsContact O-CB 3.25Å; L417-L420 WeakPolarHBondContact O-CB 3.43Å; L417-L420 PolarHBondContact O-N 2.88Å; L417-Q435 HydrophobicContact CD1-CB 4.04Å; L417-Q435 HydrophobicContact CD1-CG 3.74Å; L417-F436 HydrophobicContact CB-CE2 3.71Å; L417-F436 HydrophobicContact CB-CZ 3.87Å |
| 418 | E | 93.5 | Very high | 93.4 | Very high | 26 Ų | 26 | 45.1 Ų | 45.1 | 12% | 0.121 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55.1 | -41 | -176.7 | 177.6 | 174.5 | -150.4 | 0 | 0 | 114.4 | L414 L420 L421 F436 W449 S453 G455 K458 | L414-E418 PolarHBondContact O-N 2.98Å; E418-L420 PolarHBondContact O-N 2.95Å; E418-L420 VanDerWaalsContact O-N 3.12Å; E418-L421 WeakPolarHBondContact O-CB 3.46Å; E418-L421 PolarHBondContact O-N 3.31Å; E418-F436 HydrophobicContact CB-CZ 4.48Å; E418-W449 HydrophobicContact CB-CH2 3.98Å; E418-W449 HydrophobicContact CB-CZ2 4.33Å; E418-W449 VanDerWaalsContact OE2-CZ2 3.31Å; E418-W449 WeakPolarHBondContact OE2-CZ2 3.37Å; E418-S453 VanDerWaalsContact CD-OG 3.23Å; E418-S453 VanDerWaalsContact OE1-CB 3.27Å; E418-S453 WeakPolarHBondContact OE1-CB 3.26Å; E418-S453 PolarHBondContact OE1-OG 2.97Å; E418-S453 WeakPolarHBondContact OE2-CB 3.24Å; E418-S453 PolarHBondContact OE2-OG 2.86Å; E418-G455 PolarHBondContact OE1-N 2.73Å; E418-K458 VanDerWaalsContact CG-NZ 3.35Å; E418-K458 IonicContact OE1-NZ 2.84Å; E418-K458 PolarHBondContact OE1-NZ 3.46Å |
| 419 | P | 93.2 | Very high | 93.3 | Very high | 53 Ų | 53 | 45.7 Ų | 45.7 | 34% | 0.344 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.1 | -27.4 | 176.7 | -26.7 | 36.1 | 0 | 0 | 0 | 113.6 | E415 L417 L421 Q422 K423 | E415-P419 WeakPolarHBondContact O-CD 3.24Å; L417-P419 VanDerWaalsContact C-CD 3.47Å; P419-L421 VanDerWaalsContact C-N 3.3Å; P419-L421 PolarHBondContact O-N 3.04Å; P419-Q422 PolarHBondContact O-N 3.42Å; P419-K423 PolarHBondContact O-N 3.01Å; P419-K423 VanDerWaalsContact O-N 3.1Å |
| 420 | L | 94.3 | Very high | 93 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.3 | -26.9 | 177.8 | -55.7 | -179.6 | 0 | 0 | 0 | 112.1 | L384 I408 L417 E418 Q422 A424 A432 | L384-L420 HydrophobicContact CB-CD2 4.44Å; L384-L420 HydrophobicContact CD2-CD2 3.74Å; I408-L420 HydrophobicContact CD1-CD1 3.56Å; I408-L420 HydrophobicContact CG1-CD1 3.91Å; L417-L420 HydrophobicContact CD2-CD1 4.12Å; L417-L420 VanDerWaalsContact O-CB 3.25Å; L417-L420 WeakPolarHBondContact O-CB 3.43Å; L417-L420 PolarHBondContact O-N 2.88Å; E418-L420 PolarHBondContact O-N 2.95Å; E418-L420 VanDerWaalsContact O-N 3.12Å; L420-Q422 PolarHBondContact O-N 3.45Å; L420-A424 HydrophobicContact CB-CB 4.03Å; L420-A424 HydrophobicContact CD2-CB 4.49Å; L420-A424 WeakPolarHBondContact O-CB 3.28Å; L420-A424 PolarHBondContact O-N 3.34Å; L420-A432 HydrophobicContact CB-CB 4.13Å; L420-A432 HydrophobicContact CD1-CB 4.44Å |
| 421 | L | 92.5 | Very high | 92.9 | Very high | 9 Ų | 9 | 44.1 Ų | 44.1 | 5% | 0.047 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.3 | -25.8 | 177 | -63.8 | -178 | 0 | 0 | 0 | 112.5 | E418 P419 L429 A432 V433 F436 F450 K458 I459 | E418-L421 WeakPolarHBondContact O-CB 3.46Å; E418-L421 PolarHBondContact O-N 3.31Å; P419-L421 VanDerWaalsContact C-N 3.3Å; P419-L421 PolarHBondContact O-N 3.04Å; L421-L429 HydrophobicContact CD2-CD1 4.01Å; L421-A432 HydrophobicContact CD2-CB 4.26Å; L421-V433 HydrophobicContact CD2-CG2 3.76Å; L421-F436 HydrophobicContact CD1-CD2 4.19Å; L421-F436 HydrophobicContact CD1-CE2 3.74Å; L421-F436 HydrophobicContact CD1-CZ 4.03Å; L421-F436 HydrophobicContact CD2-CD2 4.03Å; L421-F436 HydrophobicContact CD2-CE2 3.95Å; L421-F436 HydrophobicContact CG-CD2 4.38Å; L421-F436 HydrophobicContact CG-CE2 3.84Å; L421-F436 HydrophobicContact CG-CZ 4.48Å; L421-F450 HydrophobicContact CD1-CE2 3.66Å; L421-F450 HydrophobicContact CD1-CZ 3.79Å; L421-K458 HydrophobicContact CB-CB 4.43Å; L421-K458 HydrophobicContact CB-CD 4.29Å; L421-I459 HydrophobicContact CD1-CD1 4.22Å; L421-I459 HydrophobicContact CD2-CD1 4.12Å |
| 422 | Q | 88.8 | Confident | 92.9 | Very high | 148 Ų | 148 | 44.1 Ų | 44.1 | 69% | 0.692 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -99.4 | -41.9 | -179.5 | -173.1 | 178.8 | 12.1 | 0 | 0 | 112.8 | P419 L420 | P419-Q422 PolarHBondContact O-N 3.42Å; L420-Q422 PolarHBondContact O-N 3.45Å |
| 423 | K | 90.3 | Very high | 92.9 | Very high | 110 Ų | 110 | 39.8 Ų | 39.8 | 48% | 0.478 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -97.7 | -20.8 | -169.6 | -62.1 | -178.5 | -175.5 | 176.5 | 0 | 113.8 | L384 P419 | L384-K423 HydrophobicContact CD2-CB 3.77Å; P419-K423 PolarHBondContact O-N 3.01Å; P419-K423 VanDerWaalsContact O-N 3.1Å |
| 424 | A | 93 | Very high | 93.2 | Very high | 10 Ų | 10 | 38.2 Ų | 38.2 | 8% | 0.083 | 20% | 0.202 | C | C | . | . | trans | -81 | 137.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L384 L420 I428 L429 | L384-A424 HydrophobicContact CD1-CB 4.23Å; L384-A424 HydrophobicContact CD2-CB 4.29Å; L420-A424 HydrophobicContact CB-CB 4.03Å; L420-A424 HydrophobicContact CD2-CB 4.49Å; L420-A424 WeakPolarHBondContact O-CB 3.28Å; L420-A424 PolarHBondContact O-N 3.34Å; A424-I428 HydrophobicContact CB-CB 4.02Å; A424-I428 HydrophobicContact CB-CG2 3.92Å; A424-L429 HydrophobicContact CB-CB 4.35Å | ||
| 425 | P | 92.5 | Very high | 93.4 | Very high | 31 Ų | 31 | 38.6 Ų | 38.6 | 20% | 0.201 | 20% | 0.204 | C | C | . | . | trans | -71.1 | 162.9 | 174.1 | 28.7 | -30.8 | 0 | 0 | 0 | 110.5 | Y387 L388 S427 I428 L429 | Y387-P425 HydrophobicContact CD1-CG 4.01Å; Y387-P425 HydrophobicContact CE1-CG 3.54Å; L388-P425 HydrophobicContact CD2-CG 3.84Å; P425-S427 PolarHBondContact O-N 3.12Å; P425-I428 HydrophobicContact CG-CG1 4.32Å; P425-I428 PolarHBondContact O-N 3.02Å; P425-L429 WeakPolarHBondContact O-CB 3.36Å; P425-L429 PolarHBondContact O-N 3.1Å | ||
| 426 | P | 90.1 | Very high | 93.7 | Very high | 94 Ų | 94 | 33 Ų | 33 | 61% | 0.61 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -51.1 | -32.5 | -175.2 | -30.6 | 35.8 | 0 | 0 | 0 | 114.9 | I428 K430 | P426-I428 VanDerWaalsContact C-N 3.27Å; P426-I428 PolarHBondContact O-N 3.16Å; P426-K430 PolarHBondContact O-N 3Å |
| 427 | S | 90.8 | Very high | 93.8 | Very high | 26 Ų | 26 | 32.5 Ų | 32.5 | 18% | 0.182 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64 | -27.2 | 178.7 | 62.9 | 0 | 0 | 0 | 0 | 114.3 | Y387 P425 H431 | Y387-S427 PolarHBondContact OH-OG 3.23Å; P425-S427 PolarHBondContact O-N 3.12Å; S427-H431 PolarHBondContact O-CD2 3.13Å |
| 428 | I | 94.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -105.3 | -42 | 178.5 | -57.6 | -59.2 | 0 | 0 | 0 | 110.4 | Y387 K401 L404 I408 A424 P425 P426 K430 H431 A432 | Y387-I428 HydrophobicContact CD1-CG1 4.27Å; Y387-I428 HydrophobicContact CE1-CG1 4.17Å; K401-I428 HydrophobicContact CB-CD1 4.15Å; K401-I428 HydrophobicContact CG-CD1 3.76Å; L404-I428 HydrophobicContact CB-CD1 4.23Å; L404-I428 HydrophobicContact CB-CG2 4.47Å; L404-I428 HydrophobicContact CD1-CD1 3.93Å; L404-I428 HydrophobicContact CD1-CG1 4.21Å; L404-I428 HydrophobicContact CD1-CG2 4.19Å; I408-I428 HydrophobicContact CD1-CG2 4.04Å; A424-I428 HydrophobicContact CB-CB 4.02Å; A424-I428 HydrophobicContact CB-CG2 3.92Å; P425-I428 HydrophobicContact CG-CG1 4.32Å; P425-I428 PolarHBondContact O-N 3.02Å; P426-I428 VanDerWaalsContact C-N 3.27Å; P426-I428 PolarHBondContact O-N 3.16Å; I428-K430 VanDerWaalsContact C-N 3.26Å; I428-K430 PolarHBondContact O-N 3.23Å; I428-H431 WeakPolarHBondContact O-CB 3.44Å; I428-H431 PolarHBondContact O-N 3.45Å; I428-A432 PolarHBondContact O-N 3.06Å |
| 429 | L | 94.3 | Very high | 94 | Very high | 11 Ų | 11 | 37.9 Ų | 37.9 | 6% | 0.058 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -50.6 | -44.9 | -177.6 | 178.6 | 62.4 | 0 | 0 | 0 | 112.3 | L421 A424 P425 H431 A432 V433 L462 | L421-L429 HydrophobicContact CD2-CD1 4.01Å; A424-L429 HydrophobicContact CB-CB 4.35Å; P425-L429 WeakPolarHBondContact O-CB 3.36Å; P425-L429 PolarHBondContact O-N 3.1Å; L429-H431 PolarHBondContact O-N 3.38Å; L429-H431 VanDerWaalsContact O-N 3.1Å; L429-A432 WeakPolarHBondContact O-CB 3.5Å; L429-A432 PolarHBondContact O-N 3Å; L429-V433 HydrophobicContact CD1-CG2 4.08Å; L429-V433 HydrophobicContact CG-CG2 4.22Å; L429-V433 WeakPolarHBondContact O-CG2 3.49Å; L429-V433 PolarHBondContact O-N 3.27Å; L429-L462 HydrophobicContact CD1-CD1 4.13Å; L429-L462 HydrophobicContact CD2-CD1 3.93Å; L429-L462 HydrophobicContact CD2-CD2 3.68Å; L429-L462 HydrophobicContact CD2-CG 4.46Å; L429-L462 HydrophobicContact CG-CD1 4.33Å |
| 430 | K | 93.3 | Very high | 94.2 | Very high | 95 Ų | 95 | 35.3 Ų | 35.3 | 41% | 0.413 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -55.8 | -30.8 | 178.2 | 68.7 | -176.6 | 179.7 | 178.9 | 0 | 113.8 | P426 I428 A434 | P426-K430 PolarHBondContact O-N 3Å; I428-K430 VanDerWaalsContact C-N 3.26Å; I428-K430 PolarHBondContact O-N 3.23Å; K430-A434 WeakPolarHBondContact O-CB 3.42Å; K430-A434 PolarHBondContact O-N 3.08Å |
| 431 | H | 95.5 | Very high | 94.2 | Very high | 30 Ų | 30 | 37.9 Ų | 37.9 | 14% | 0.139 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -75.8 | -36.4 | 177.6 | -62.7 | -51.6 | 0 | 0 | 0 | 111.6 | I408 S427 I428 L429 Q435 | I408-H431 HydrophobicContact CD1-CB 4.45Å; I408-H431 HydrophobicContact CG2-CB 4.16Å; I408-H431 VanDerWaalsContact CG2-O 3.28Å; I408-H431 WeakPolarHBondContact CG2-O 3.37Å; S427-H431 PolarHBondContact O-CD2 3.13Å; I428-H431 WeakPolarHBondContact O-CB 3.44Å; I428-H431 PolarHBondContact O-N 3.45Å; L429-H431 PolarHBondContact O-N 3.38Å; L429-H431 VanDerWaalsContact O-N 3.1Å; H431-Q435 PolarHBondContact O-N 3.25Å; H431-Q435 VanDerWaalsContact O-N 3.12Å |
| 432 | A | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.4 | -51.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | L420 L421 I428 L429 A434 Q435 F436 | L420-A432 HydrophobicContact CB-CB 4.13Å; L420-A432 HydrophobicContact CD1-CB 4.44Å; L421-A432 HydrophobicContact CD2-CB 4.26Å; I428-A432 PolarHBondContact O-N 3.06Å; L429-A432 WeakPolarHBondContact O-CB 3.5Å; L429-A432 PolarHBondContact O-N 3Å; A432-A434 VanDerWaalsContact C-N 3.31Å; A432-A434 PolarHBondContact O-N 3.21Å; A432-Q435 WeakPolarHBondContact O-CA 3.25Å; A432-Q435 WeakPolarHBondContact O-CB 2.98Å; A432-Q435 PolarHBondContact O-N 3.14Å; A432-F436 VanDerWaalsContact O-CD2 3.22Å; A432-F436 WeakPolarHBondContact O-CD2 3.5Å; A432-F436 PolarHBondContact O-N 3.41Å |
| 433 | V | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.6 | -42.1 | 178.6 | -176 | 0 | 0 | 0 | 0 | 111.3 | L421 L429 Q435 F436 S437 I459 L462 L470 I474 I477 | L421-V433 HydrophobicContact CD2-CG2 3.76Å; L429-V433 HydrophobicContact CD1-CG2 4.08Å; L429-V433 HydrophobicContact CG-CG2 4.22Å; L429-V433 WeakPolarHBondContact O-CG2 3.49Å; L429-V433 PolarHBondContact O-N 3.27Å; V433-Q435 PolarHBondContact O-N 2.97Å; V433-F436 PolarHBondContact O-N 2.97Å; V433-S437 PolarHBondContact O-N 2.97Å; V433-S437 PolarHBondContact O-OG 3.26Å; V433-I459 HydrophobicContact CG1-CD1 4.13Å; V433-I459 HydrophobicContact CG2-CD1 4.08Å; V433-L462 HydrophobicContact CG2-CD1 4.21Å; V433-L470 HydrophobicContact CB-CD1 3.79Å; V433-L470 HydrophobicContact CG1-CD1 3.83Å; V433-L470 HydrophobicContact CG2-CD1 3.92Å; V433-I474 HydrophobicContact CG1-CG1 4.12Å; V433-I477 HydrophobicContact CG1-CD1 3.7Å |
| 434 | A | 96.2 | Very high | 94.5 | Very high | 10 Ų | 10 | 39.9 Ų | 39.9 | 8% | 0.083 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.9 | -26.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | K430 A432 S437 K438 Y473 | K430-A434 WeakPolarHBondContact O-CB 3.42Å; K430-A434 PolarHBondContact O-N 3.08Å; A432-A434 VanDerWaalsContact C-N 3.31Å; A432-A434 PolarHBondContact O-N 3.21Å; A434-S437 WeakPolarHBondContact CA-OG 3.25Å; A434-S437 PolarHBondContact O-OG 2.93Å; A434-K438 WeakPolarHBondContact O-CD 3.12Å; A434-K438 VanDerWaalsContact O-CG 3.28Å; A434-K438 WeakPolarHBondContact O-CG 3.33Å; A434-Y473 HydrophobicContact CB-CD1 4.16Å; A434-Y473 HydrophobicContact CB-CD2 3.68Å; A434-Y473 HydrophobicContact CB-CE1 3.99Å; A434-Y473 HydrophobicContact CB-CE2 3.53Å; A434-Y473 HydrophobicContact CB-CG 4.02Å |
| 435 | Q | 97.2 | Very high | 94.5 | Very high | 13 Ų | 13 | 49.6 Ų | 49.6 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -82 | -41.2 | 176.8 | -171.6 | 65.8 | 4 | 0 | 0 | 111.3 | I408 Q409 C411 L417 H431 A432 V433 S437 K438 V439 | I408-Q435 HydrophobicContact CG2-CB 4.04Å; I408-Q435 VanDerWaalsContact O-CD 3.29Å; I408-Q435 VanDerWaalsContact O-CG 3.23Å; I408-Q435 WeakPolarHBondContact O-CG 3.42Å; Q409-Q435 PolarHBondContact O-OE1 3.46Å; C411-Q435 VanDerWaalsContact O-CG 3.24Å; C411-Q435 WeakPolarHBondContact O-CG 3.28Å; C411-Q435 PolarHBondContact O-NE2 3.47Å; L417-Q435 HydrophobicContact CD1-CB 4.04Å; L417-Q435 HydrophobicContact CD1-CG 3.74Å; H431-Q435 PolarHBondContact O-N 3.25Å; H431-Q435 VanDerWaalsContact O-N 3.12Å; A432-Q435 WeakPolarHBondContact O-CA 3.25Å; A432-Q435 WeakPolarHBondContact O-CB 2.98Å; A432-Q435 PolarHBondContact O-N 3.14Å; V433-Q435 PolarHBondContact O-N 2.97Å; Q435-S437 VanDerWaalsContact C-N 3.3Å; Q435-S437 PolarHBondContact O-N 3.3Å; Q435-K438 PolarHBondContact O-N 3.35Å; Q435-K438 VanDerWaalsContact O-N 3.14Å; Q435-V439 HydrophobicContact CG-CG2 4.4Å; Q435-V439 WeakPolarHBondContact O-CG2 3.45Å; Q435-V439 PolarHBondContact O-N 3.2Å; Q435-V439 VanDerWaalsContact O-N 3.08Å |
| 436 | F | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.9 | -45.6 | 171.2 | -81.1 | -79.9 | 0 | 0 | 0 | 111.4 | L414 L417 E418 L421 A432 V433 K438 V439 L440 W449 F450 I477 | L414-F436 HydrophobicContact CB-CD1 4.29Å; L414-F436 HydrophobicContact CB-CE1 3.65Å; L414-F436 HydrophobicContact CB-CZ 4.23Å; L414-F436 HydrophobicContact CD1-CD1 3.75Å; L414-F436 HydrophobicContact CD1-CE1 3.93Å; L414-F436 HydrophobicContact CD2-CD1 3.95Å; L414-F436 HydrophobicContact CD2-CE1 4.02Å; L414-F436 HydrophobicContact CD2-CG 4.43Å; L414-F436 HydrophobicContact CG-CD1 4.22Å; L414-F436 HydrophobicContact CG-CE1 4.08Å; L417-F436 HydrophobicContact CB-CE2 3.71Å; L417-F436 HydrophobicContact CB-CZ 3.87Å; E418-F436 HydrophobicContact CB-CZ 4.48Å; L421-F436 HydrophobicContact CD1-CD2 4.19Å; L421-F436 HydrophobicContact CD1-CE2 3.74Å; L421-F436 HydrophobicContact CD1-CZ 4.03Å; L421-F436 HydrophobicContact CD2-CD2 4.03Å; L421-F436 HydrophobicContact CD2-CE2 3.95Å; L421-F436 HydrophobicContact CG-CD2 4.38Å; L421-F436 HydrophobicContact CG-CE2 3.84Å; L421-F436 HydrophobicContact CG-CZ 4.48Å; A432-F436 VanDerWaalsContact O-CD2 3.22Å; A432-F436 WeakPolarHBondContact O-CD2 3.5Å; A432-F436 PolarHBondContact O-N 3.41Å; V433-F436 PolarHBondContact O-N 2.97Å; F436-K438 PolarHBondContact O-N 3.02Å; F436-V439 PolarHBondContact O-N 2.89Å; F436-L440 HydrophobicContact CB-CD1 4.13Å; F436-L440 HydrophobicContact CD1-CD1 4.2Å; F436-L440 HydrophobicContact CD1-CG 4.44Å; F436-L440 WeakPolarHBondContact O-CB 3Å; F436-L440 VanDerWaalsContact O-CG 3.25Å; F436-L440 WeakPolarHBondContact O-CG 3.4Å; F436-L440 PolarHBondContact O-N 3.42Å; F436-W449 HydrophobicContact CE1-CZ3 4.16Å; F436-F450 AromaticContact CD1-CD2 3.82Å; F436-F450 HydrophobicContact CD1-CD2 3.82Å; F436-F450 AromaticContact CD1-CE2 3.47Å; F436-F450 HydrophobicContact CD1-CE2 3.47Å; F436-F450 VanDerWaalsContact CD1-CE2 3.47Å; F436-F450 AromaticContact CD1-CZ 3.95Å; F436-F450 HydrophobicContact CD1-CZ 3.95Å; F436-F450 AromaticContact CE1-CD2 3.45Å; F436-F450 HydrophobicContact CE1-CD2 3.45Å; F436-F450 VanDerWaalsContact CE1-CD2 3.45Å; F436-F450 AromaticContact CE1-CE2 3.2Å; F436-F450 HydrophobicContact CE1-CE2 3.2Å; F436-F450 HydrophobicContact CE1-CZ 4.12Å; F436-F450 HydrophobicContact CE2-CE2 4.44Å; F436-F450 HydrophobicContact CG-CE2 4.21Å; F436-F450 HydrophobicContact CG-CZ 4.37Å; F436-F450 HydrophobicContact CZ-CD2 4.31Å; F436-F450 AromaticContact CZ-CE2 3.78Å; F436-F450 HydrophobicContact CZ-CE2 3.78Å; F436-I477 HydrophobicContact CB-CD1 3.73Å; F436-I477 HydrophobicContact CB-CG1 4.31Å |
| 437 | S | 96.4 | Very high | 94.8 | Very high | 14 Ų | 14 | 48.2 Ų | 48.2 | 10% | 0.098 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.3 | -24.2 | 179.3 | 69.2 | 0 | 0 | 0 | 0 | 114 | V433 A434 Q435 P441 | V433-S437 PolarHBondContact O-N 2.97Å; V433-S437 PolarHBondContact O-OG 3.26Å; A434-S437 WeakPolarHBondContact CA-OG 3.25Å; A434-S437 PolarHBondContact O-OG 2.93Å; Q435-S437 VanDerWaalsContact C-N 3.3Å; Q435-S437 PolarHBondContact O-N 3.3Å; S437-P441 VanDerWaalsContact O-CD 3.24Å; S437-P441 WeakPolarHBondContact O-CD 3.27Å; S437-P441 VanDerWaalsContact O-CG 3.27Å; S437-P441 WeakPolarHBondContact O-CG 3.24Å |
| 438 | K | 96 | Very high | 94.9 | Very high | 120 Ų | 120 | 56.7 Ų | 56.7 | 52% | 0.522 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -84.7 | -36.9 | 176.1 | -71.7 | 172.9 | -175.7 | -177.3 | 0 | 113.4 | A434 Q435 F436 H442 | A434-K438 WeakPolarHBondContact O-CD 3.12Å; A434-K438 VanDerWaalsContact O-CG 3.28Å; A434-K438 WeakPolarHBondContact O-CG 3.33Å; Q435-K438 PolarHBondContact O-N 3.35Å; Q435-K438 VanDerWaalsContact O-N 3.14Å; F436-K438 PolarHBondContact O-N 3.02Å; K438-H442 PolarHBondContact O-CD2 3.47Å |
| 439 | V | 96 | Very high | 94.9 | Very high | 19 Ų | 19 | 59.6 Ų | 59.6 | 12% | 0.115 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -88.7 | -42.5 | -172.2 | 179.6 | 0 | 0 | 0 | 0 | 111.8 | I412 L414 Q435 F436 P441 H442 D443 | I412-V439 HydrophobicContact CG2-CG2 4.26Å; L414-V439 HydrophobicContact CD1-CB 4.16Å; L414-V439 HydrophobicContact CD1-CG1 3.94Å; L414-V439 HydrophobicContact CD2-CB 4.02Å; L414-V439 HydrophobicContact CD2-CG1 4.17Å; L414-V439 HydrophobicContact CD2-CG2 4.2Å; L414-V439 HydrophobicContact CG-CB 4.39Å; L414-V439 HydrophobicContact CG-CG1 4.08Å; Q435-V439 HydrophobicContact CG-CG2 4.4Å; Q435-V439 WeakPolarHBondContact O-CG2 3.45Å; Q435-V439 PolarHBondContact O-N 3.2Å; Q435-V439 VanDerWaalsContact O-N 3.08Å; F436-V439 PolarHBondContact O-N 2.89Å; V439-P441 VanDerWaalsContact C-CD 3.43Å; V439-H442 PolarHBondContact O-N 2.96Å; V439-D443 HydrophobicContact CG1-CB 4.47Å; V439-D443 PolarHBondContact O-N 3.35Å |
| 440 | L | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -56.4 | -39.3 | -175.7 | -70.5 | 172.8 | 0 | 0 | 0 | 114.6 | L414 F436 H442 D443 A446 R447 F450 I477 | L414-L440 HydrophobicContact CD1-CD2 3.71Å; L414-L440 HydrophobicContact CD1-CG 4.05Å; F436-L440 HydrophobicContact CB-CD1 4.13Å; F436-L440 HydrophobicContact CD1-CD1 4.2Å; F436-L440 HydrophobicContact CD1-CG 4.44Å; F436-L440 WeakPolarHBondContact O-CB 3Å; F436-L440 VanDerWaalsContact O-CG 3.25Å; F436-L440 WeakPolarHBondContact O-CG 3.4Å; F436-L440 PolarHBondContact O-N 3.42Å; L440-H442 PolarHBondContact O-N 2.98Å; L440-H442 VanDerWaalsContact O-N 3.13Å; L440-D443 PolarHBondContact O-N 3.33Å; L440-A446 HydrophobicContact CD2-CB 4.15Å; L440-R447 HydrophobicContact CB-CG 4.08Å; L440-R447 HydrophobicContact CD2-CG 4Å; L440-R447 VanDerWaalsContact O-CD 3.26Å; L440-R447 WeakPolarHBondContact O-CD 3.48Å; L440-R447 VanDerWaalsContact O-CG 3.24Å; L440-R447 WeakPolarHBondContact O-CG 3.22Å; L440-R447 PolarHBondContact O-NE 2.96Å; L440-F450 HydrophobicContact CD1-CD1 3.96Å; L440-F450 HydrophobicContact CD1-CE1 4.13Å; L440-F450 HydrophobicContact CD1-CG 4.39Å; L440-F450 HydrophobicContact CD2-CB 4.1Å; L440-F450 HydrophobicContact CD2-CG 4.36Å; L440-I477 HydrophobicContact CD1-CG1 4.21Å; L440-I477 HydrophobicContact CD1-CG2 3.85Å |
| 441 | P | 95.4 | Very high | 94.9 | Very high | 56 Ų | 56 | 55.9 Ų | 55.9 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -58.1 | -28 | 177.5 | -25.7 | 34.3 | 0 | 0 | 0 | 113.9 | S437 V439 | S437-P441 VanDerWaalsContact O-CD 3.24Å; S437-P441 WeakPolarHBondContact O-CD 3.27Å; S437-P441 VanDerWaalsContact O-CG 3.27Å; S437-P441 WeakPolarHBondContact O-CG 3.24Å; V439-P441 VanDerWaalsContact C-CD 3.43Å |
| 442 | H | 93.9 | Very high | 94.8 | Very high | 168 Ų | 168 | 58.7 Ų | 58.7 | 78% | 0.778 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -106.5 | -4.6 | -172.7 | -56.6 | -57.6 | 0 | 0 | 0 | 113.9 | K438 V439 L440 | K438-H442 PolarHBondContact O-CD2 3.47Å; V439-H442 PolarHBondContact O-N 2.96Å; L440-H442 PolarHBondContact O-N 2.98Å; L440-H442 VanDerWaalsContact O-N 3.13Å |
| 443 | D | 92.8 | Very high | 94.6 | Very high | 62 Ų | 62 | 60.5 Ų | 60.5 | 33% | 0.332 | 30% | 0.299 | S | S | . | . | trans | -128 | 100.6 | -179.1 | -171 | -22.4 | 0 | 0 | 0 | 111.5 | V439 L440 R445 A446 R447 | V439-D443 HydrophobicContact CG1-CB 4.47Å; V439-D443 PolarHBondContact O-N 3.35Å; L440-D443 PolarHBondContact O-N 3.33Å; D443-R445 VanDerWaalsContact C-N 3.32Å; D443-R445 PolarHBondContact O-N 3.27Å; D443-R445 WeakPolarHBondContact OD1-CB 3.31Å; D443-R445 PolarHBondContact OD1-N 2.84Å; D443-A446 HydrophobicContact CB-CB 3.69Å; D443-A446 PolarHBondContact O-N 2.93Å; D443-A446 PolarHBondContact OD1-N 3.38Å; D443-R447 WeakPolarHBondContact O-CG 3.48Å; D443-R447 PolarHBondContact O-N 2.69Å | ||
| 444 | S | 91.1 | Very high | 94.5 | Very high | 79 Ų | 79 | 61.5 Ų | 61.5 | 55% | 0.552 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -67.5 | -30.2 | 179.4 | 58.9 | 0 | 0 | 0 | 0 | 113.4 | R448 | S444-R448 PolarHBondContact O-N 3.44Å |
| 445 | R | 93 | Very high | 94.4 | Very high | 214 Ų | 214 | 61 Ų | 61 | 81% | 0.808 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -71 | -44.7 | 176.6 | -67.4 | -178.3 | 179.3 | 177.7 | 0.5 | 109.7 | D443 R447 R448 W449 | D443-R445 VanDerWaalsContact C-N 3.32Å; D443-R445 PolarHBondContact O-N 3.27Å; D443-R445 WeakPolarHBondContact OD1-CB 3.31Å; D443-R445 PolarHBondContact OD1-N 2.84Å; R445-R447 VanDerWaalsContact C-N 3.31Å; R445-R447 PolarHBondContact O-N 3.38Å; R445-R448 PolarHBondContact O-N 3.49Å; R445-W449 WeakPolarHBondContact O-CB 3.38Å; R445-W449 PolarHBondContact O-N 3.08Å |
| 446 | A | 93.8 | Very high | 94.2 | Very high | 10 Ų | 10 | 60.4 Ų | 60.4 | 8% | 0.083 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | L414 L440 D443 R448 W449 F450 | L414-A446 HydrophobicContact CD1-CB 3.87Å; L440-A446 HydrophobicContact CD2-CB 4.15Å; D443-A446 HydrophobicContact CB-CB 3.69Å; D443-A446 PolarHBondContact O-N 2.93Å; D443-A446 PolarHBondContact OD1-N 3.38Å; A446-R448 PolarHBondContact O-N 3.08Å; A446-W449 PolarHBondContact O-N 3.32Å; A446-F450 VanDerWaalsContact O-CB 3.24Å; A446-F450 WeakPolarHBondContact O-CB 3.27Å; A446-F450 PolarHBondContact O-N 3.2Å |
| 447 | R | 94.3 | Very high | 94 | Very high | 85 Ų | 85 | 65.5 Ų | 65.5 | 32% | 0.321 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.5 | -47.5 | 175.5 | -76.3 | -172.4 | -69.6 | 162 | -9 | 112.9 | L440 D443 R445 F450 V451 C480 Y481 | L440-R447 HydrophobicContact CB-CG 4.08Å; L440-R447 HydrophobicContact CD2-CG 4Å; L440-R447 VanDerWaalsContact O-CD 3.26Å; L440-R447 WeakPolarHBondContact O-CD 3.48Å; L440-R447 VanDerWaalsContact O-CG 3.24Å; L440-R447 WeakPolarHBondContact O-CG 3.22Å; L440-R447 PolarHBondContact O-NE 2.96Å; D443-R447 WeakPolarHBondContact O-CG 3.48Å; D443-R447 PolarHBondContact O-N 2.69Å; R445-R447 VanDerWaalsContact C-N 3.31Å; R445-R447 PolarHBondContact O-N 3.38Å; R447-F450 PolarHBondContact O-N 3Å; R447-V451 PolarHBondContact O-N 2.96Å; R447-C480 HydrophobicContact CG-CB 4.42Å; R447-C480 PolarHBondContact NH1-O 3.24Å; R447-Y481 WeakPolarHBondContact CA-OH 3.48Å; R447-Y481 HydrophobicContact CB-CE1 3.92Å; R447-Y481 HydrophobicContact CG-CE1 4.33Å; R447-Y481 WeakPolarHBondContact O-CE1 3.49Å; R447-Y481 PolarHBondContact O-OH 3.28Å; R447-Y481 VanDerWaalsContact O-OH 3.05Å |
| 448 | R | 93.4 | Very high | 93.8 | Very high | 205 Ų | 205 | 67 Ų | 67 | 77% | 0.774 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.1 | -45.6 | 178.8 | -172.3 | 177.7 | -168.4 | 163.3 | 4.4 | 111.4 | S444 R445 A446 V451 A452 | S444-R448 PolarHBondContact O-N 3.44Å; R445-R448 PolarHBondContact O-N 3.49Å; A446-R448 PolarHBondContact O-N 3.08Å; R448-V451 PolarHBondContact O-N 3.34Å; R448-A452 PolarHBondContact O-N 2.97Å; R448-A452 VanDerWaalsContact O-N 3.14Å |
| 449 | W | 94.5 | Very high | 93.7 | Very high | 60 Ų | 60 | 61.2 Ų | 61.2 | 23% | 0.227 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.4 | -44.9 | 177.2 | 163.5 | 82.4 | 0 | 0 | 0 | 111.6 | L414 E415 E418 F436 R445 A446 V451 A452 S453 | L414-W449 VanDerWaalsContact C-CH2 3.47Å; L414-W449 HydrophobicContact CB-CE3 4.37Å; L414-W449 HydrophobicContact CB-CH2 4.14Å; L414-W449 HydrophobicContact CB-CZ3 3.56Å; L414-W449 WeakPolarHBondContact O-CH2 3.44Å; E415-W449 VanDerWaalsContact CA-CH2 3.46Å; E415-W449 VanDerWaalsContact CA-CZ2 3.46Å; E415-W449 HydrophobicContact CB-CH2 4.34Å; E415-W449 HydrophobicContact CB-CZ2 3.93Å; E415-W449 HydrophobicContact CG-CD2 4.07Å; E415-W449 VanDerWaalsContact CG-CE2 3.44Å; E415-W449 HydrophobicContact CG-CH2 4.05Å; E415-W449 HydrophobicContact CG-CZ2 3.46Å; E415-W449 VanDerWaalsContact CG-CZ2 3.46Å; E418-W449 HydrophobicContact CB-CH2 3.98Å; E418-W449 HydrophobicContact CB-CZ2 4.33Å; E418-W449 VanDerWaalsContact OE2-CZ2 3.31Å; E418-W449 WeakPolarHBondContact OE2-CZ2 3.37Å; F436-W449 HydrophobicContact CE1-CZ3 4.16Å; R445-W449 WeakPolarHBondContact O-CB 3.38Å; R445-W449 PolarHBondContact O-N 3.08Å; A446-W449 PolarHBondContact O-N 3.32Å; W449-V451 PolarHBondContact O-N 3.46Å; W449-A452 CarbonylContact O-C 3.55Å; W449-A452 WeakPolarHBondContact O-CA 3.3Å; W449-A452 PolarHBondContact O-N 3.27Å; W449-S453 WeakPolarHBondContact O-CB 3.33Å; W449-S453 PolarHBondContact O-N 3.48Å; W449-S453 PolarHBondContact O-OG 3.43Å |
| 450 | F | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.4 | -28.9 | -177.2 | -170.3 | -113.3 | 0 | 0 | 0 | 113.4 | L421 F436 L440 A446 R447 S453 G455 L456 I459 I477 Y481 | L421-F450 HydrophobicContact CD1-CE2 3.66Å; L421-F450 HydrophobicContact CD1-CZ 3.79Å; F436-F450 AromaticContact CD1-CD2 3.82Å; F436-F450 HydrophobicContact CD1-CD2 3.82Å; F436-F450 AromaticContact CD1-CE2 3.47Å; F436-F450 HydrophobicContact CD1-CE2 3.47Å; F436-F450 VanDerWaalsContact CD1-CE2 3.47Å; F436-F450 AromaticContact CD1-CZ 3.95Å; F436-F450 HydrophobicContact CD1-CZ 3.95Å; F436-F450 AromaticContact CE1-CD2 3.45Å; F436-F450 HydrophobicContact CE1-CD2 3.45Å; F436-F450 VanDerWaalsContact CE1-CD2 3.45Å; F436-F450 AromaticContact CE1-CE2 3.2Å; F436-F450 HydrophobicContact CE1-CE2 3.2Å; F436-F450 HydrophobicContact CE1-CZ 4.12Å; F436-F450 HydrophobicContact CE2-CE2 4.44Å; F436-F450 HydrophobicContact CG-CE2 4.21Å; F436-F450 HydrophobicContact CG-CZ 4.37Å; F436-F450 HydrophobicContact CZ-CD2 4.31Å; F436-F450 AromaticContact CZ-CE2 3.78Å; F436-F450 HydrophobicContact CZ-CE2 3.78Å; L440-F450 HydrophobicContact CD1-CD1 3.96Å; L440-F450 HydrophobicContact CD1-CE1 4.13Å; L440-F450 HydrophobicContact CD1-CG 4.39Å; L440-F450 HydrophobicContact CD2-CB 4.1Å; L440-F450 HydrophobicContact CD2-CG 4.36Å; A446-F450 VanDerWaalsContact O-CB 3.24Å; A446-F450 WeakPolarHBondContact O-CB 3.27Å; A446-F450 PolarHBondContact O-N 3.2Å; R447-F450 PolarHBondContact O-N 3Å; F450-S453 PolarHBondContact O-OG 3.28Å; F450-G455 VanDerWaalsContact CE1-C 3.4Å; F450-G455 VanDerWaalsContact CE2-CA 3.45Å; F450-G455 WeakPolarHBondContact CZ-O 3.49Å; F450-G455 VanDerWaalsContact O-CA 3.25Å; F450-G455 WeakPolarHBondContact O-CA 3.35Å; F450-G455 PolarHBondContact O-N 3.26Å; F450-L456 HydrophobicContact CD1-CB 4.2Å; F450-L456 HydrophobicContact CE1-CB 4.29Å; F450-L456 PolarHBondContact O-N 3.42Å; F450-L456 VanDerWaalsContact O-N 3.11Å; F450-I459 HydrophobicContact CE1-CG1 3.81Å; F450-I459 HydrophobicContact CZ-CD1 4.3Å; F450-I459 HydrophobicContact CZ-CG1 3.56Å; F450-I477 HydrophobicContact CE1-CG2 4.06Å; F450-Y481 HydrophobicContact CD1-CE2 4.45Å; F450-Y481 WeakPolarHBondContact CD1-OH 3.44Å |
| 451 | V | 93.1 | Very high | 93.1 | Very high | 29 Ų | 29 | 65.1 Ų | 65.1 | 18% | 0.176 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -72.7 | -48.8 | 169.9 | 173.9 | 0 | 0 | 0 | 0 | 110.2 | R447 R448 W449 S453 G454 L456 Y481 V485 Y489 | R447-V451 PolarHBondContact O-N 2.96Å; R448-V451 PolarHBondContact O-N 3.34Å; W449-V451 PolarHBondContact O-N 3.46Å; V451-S453 VanDerWaalsContact C-N 3.32Å; V451-S453 PolarHBondContact O-N 3.05Å; V451-G454 PolarHBondContact O-N 3.41Å; V451-G454 VanDerWaalsContact O-N 3.16Å; V451-L456 HydrophobicContact CG2-CB 4.3Å; V451-L456 HydrophobicContact CG2-CD2 3.96Å; V451-Y481 HydrophobicContact CG2-CD1 3.8Å; V451-Y481 HydrophobicContact CG2-CE1 3.33Å; V451-V485 HydrophobicContact CG2-CG1 4.47Å; V451-Y489 HydrophobicContact CG1-CE2 3.62Å; V451-Y489 WeakPolarHBondContact CG1-OH 3.46Å |
| 452 | A | 92.2 | Very high | 92.7 | Very high | 88 Ų | 88 | 64 Ų | 64 | 73% | 0.727 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64.4 | -32.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R448 W449 G454 | R448-A452 PolarHBondContact O-N 2.97Å; R448-A452 VanDerWaalsContact O-N 3.14Å; W449-A452 CarbonylContact O-C 3.55Å; W449-A452 WeakPolarHBondContact O-CA 3.3Å; W449-A452 PolarHBondContact O-N 3.27Å; A452-G454 VanDerWaalsContact C-N 3.26Å; A452-G454 PolarHBondContact O-N 3.03Å |
| 453 | S | 93.1 | Very high | 91.9 | Very high | 38 Ų | 38 | 61 Ų | 61 | 27% | 0.266 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -10.2 | 178.2 | 77.2 | 0 | 0 | 0 | 0 | 113.4 | E418 W449 F450 V451 G455 | E418-S453 VanDerWaalsContact CD-OG 3.23Å; E418-S453 VanDerWaalsContact OE1-CB 3.27Å; E418-S453 WeakPolarHBondContact OE1-CB 3.26Å; E418-S453 PolarHBondContact OE1-OG 2.97Å; E418-S453 WeakPolarHBondContact OE2-CB 3.24Å; E418-S453 PolarHBondContact OE2-OG 2.86Å; W449-S453 WeakPolarHBondContact O-CB 3.33Å; W449-S453 PolarHBondContact O-N 3.48Å; W449-S453 PolarHBondContact O-OG 3.43Å; F450-S453 PolarHBondContact O-OG 3.28Å; V451-S453 VanDerWaalsContact C-N 3.32Å; V451-S453 PolarHBondContact O-N 3.05Å; S453-G455 VanDerWaalsContact C-N 3.34Å; S453-G455 PolarHBondContact OG-N 3.45Å |
| 454 | G | 91.9 | Very high | 90.5 | Very high | 22 Ų | 22 | 63.8 Ų | 63.8 | 23% | 0.227 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 10 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V451 A452 L456 K457 K458 | V451-G454 PolarHBondContact O-N 3.41Å; V451-G454 VanDerWaalsContact O-N 3.16Å; A452-G454 VanDerWaalsContact C-N 3.26Å; A452-G454 PolarHBondContact O-N 3.03Å; G454-L456 PolarHBondContact O-N 3.33Å; G454-K457 WeakPolarHBondContact O-CB 3.29Å; G454-K457 PolarHBondContact O-N 3.23Å; G454-K458 WeakPolarHBondContact O-CG 3.47Å; G454-K458 PolarHBondContact O-N 2.84Å; G454-K458 VanDerWaalsContact O-N 3.15Å |
| 455 | G | 94.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.9 | -44 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E418 F450 S453 K457 K458 I459 | E418-G455 PolarHBondContact OE1-N 2.73Å; F450-G455 VanDerWaalsContact CE1-C 3.4Å; F450-G455 VanDerWaalsContact CE2-CA 3.45Å; F450-G455 WeakPolarHBondContact CZ-O 3.49Å; F450-G455 VanDerWaalsContact O-CA 3.25Å; F450-G455 WeakPolarHBondContact O-CA 3.35Å; F450-G455 PolarHBondContact O-N 3.26Å; S453-G455 VanDerWaalsContact C-N 3.34Å; S453-G455 PolarHBondContact OG-N 3.45Å; G455-K457 VanDerWaalsContact C-N 3.31Å; G455-K457 PolarHBondContact O-N 2.95Å; G455-K458 WeakPolarHBondContact O-CB 3.38Å; G455-K458 PolarHBondContact O-N 3.36Å; G455-I459 WeakPolarHBondContact O-CG1 3.36Å; G455-I459 PolarHBondContact O-N 3.48Å |
| 456 | L | 94.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.4 | -36.8 | 178.2 | -176.5 | 60.3 | 0 | 0 | 0 | 112.5 | F450 V451 G454 I459 Q460 I477 Y481 V485 Y489 | F450-L456 HydrophobicContact CD1-CB 4.2Å; F450-L456 HydrophobicContact CE1-CB 4.29Å; F450-L456 PolarHBondContact O-N 3.42Å; F450-L456 VanDerWaalsContact O-N 3.11Å; V451-L456 HydrophobicContact CG2-CB 4.3Å; V451-L456 HydrophobicContact CG2-CD2 3.96Å; G454-L456 PolarHBondContact O-N 3.33Å; L456-I459 WeakPolarHBondContact O-CB 3.49Å; L456-I459 PolarHBondContact O-N 2.88Å; L456-Q460 WeakPolarHBondContact O-CG 3.25Å; L456-Q460 PolarHBondContact O-N 3.45Å; L456-Q460 PolarHBondContact O-NE2 3.25Å; L456-I477 HydrophobicContact CD1-CG2 4.4Å; L456-Y481 HydrophobicContact CD1-CD2 3.91Å; L456-Y481 HydrophobicContact CD1-CE2 4Å; L456-Y481 HydrophobicContact CD2-CD1 4.34Å; L456-Y481 HydrophobicContact CD2-CD2 4.09Å; L456-Y481 HydrophobicContact CD2-CE2 4.44Å; L456-Y481 HydrophobicContact CD2-CG 4.04Å; L456-V485 HydrophobicContact CD2-CG1 3.83Å; L456-Y489 HydrophobicContact CB-CD2 4.5Å; L456-Y489 HydrophobicContact CD2-CD2 3.78Å; L456-Y489 HydrophobicContact CD2-CE2 4.35Å; L456-Y489 HydrophobicContact CG-CD2 4.22Å |
| 457 | K | 92.8 | Very high | 86.9 | Confident | 107 Ų | 107 | 67.5 Ų | 67.5 | 47% | 0.465 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.9 | -48.4 | 174.2 | -173.5 | -177.9 | 175.5 | -175.6 | 0 | 111.2 | G454 G455 I459 Q460 E461 Y489 | G454-K457 WeakPolarHBondContact O-CB 3.29Å; G454-K457 PolarHBondContact O-N 3.23Å; G455-K457 VanDerWaalsContact C-N 3.31Å; G455-K457 PolarHBondContact O-N 2.95Å; K457-I459 PolarHBondContact O-N 3.29Å; K457-Q460 PolarHBondContact O-N 3.05Å; K457-E461 WeakPolarHBondContact CE-OE1 3.36Å; K457-E461 WeakPolarHBondContact O-CG 3.5Å; K457-E461 PolarHBondContact O-N 3.44Å; K457-Y489 HydrophobicContact CB-CD1 3.83Å; K457-Y489 HydrophobicContact CB-CG 4.38Å; K457-Y489 HydrophobicContact CG-CD1 4.35Å |
| 458 | K | 92.3 | Very high | 86.3 | Confident | 44 Ų | 44 | 65.7 Ų | 65.7 | 19% | 0.191 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.5 | -37.6 | 176 | -64.6 | 166.4 | -171.1 | 161.6 | 0 | 111.6 | E418 L421 G454 G455 E461 L462 | E418-K458 VanDerWaalsContact CG-NZ 3.35Å; E418-K458 IonicContact OE1-NZ 2.84Å; E418-K458 PolarHBondContact OE1-NZ 3.46Å; L421-K458 HydrophobicContact CB-CB 4.43Å; L421-K458 HydrophobicContact CB-CD 4.29Å; G454-K458 WeakPolarHBondContact O-CG 3.47Å; G454-K458 PolarHBondContact O-N 2.84Å; G454-K458 VanDerWaalsContact O-N 3.15Å; G455-K458 WeakPolarHBondContact O-CB 3.38Å; G455-K458 PolarHBondContact O-N 3.36Å; K458-E461 PolarHBondContact O-N 3.14Å; K458-L462 WeakPolarHBondContact O-CG 3.34Å; K458-L462 PolarHBondContact O-N 3.11Å |
| 459 | I | 93.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66 | -39.7 | 175.3 | -67.1 | -62.8 | 0 | 0 | 0 | 112 | L421 V433 F450 G455 L456 K457 E461 L462 I474 I477 | L421-I459 HydrophobicContact CD1-CD1 4.22Å; L421-I459 HydrophobicContact CD2-CD1 4.12Å; V433-I459 HydrophobicContact CG1-CD1 4.13Å; V433-I459 HydrophobicContact CG2-CD1 4.08Å; F450-I459 HydrophobicContact CE1-CG1 3.81Å; F450-I459 HydrophobicContact CZ-CD1 4.3Å; F450-I459 HydrophobicContact CZ-CG1 3.56Å; G455-I459 WeakPolarHBondContact O-CG1 3.36Å; G455-I459 PolarHBondContact O-N 3.48Å; L456-I459 WeakPolarHBondContact O-CB 3.49Å; L456-I459 PolarHBondContact O-N 2.88Å; K457-I459 PolarHBondContact O-N 3.29Å; I459-E461 VanDerWaalsContact C-N 3.35Å; I459-L462 HydrophobicContact CD1-CD1 4.37Å; I459-L462 PolarHBondContact O-N 3.49Å; I459-I474 HydrophobicContact CG2-CB 4.4Å; I459-I474 HydrophobicContact CG2-CG1 4.24Å; I459-I474 HydrophobicContact CG2-CG2 3.87Å; I459-I477 HydrophobicContact CD1-CD1 3.85Å; I459-I477 HydrophobicContact CG1-CD1 4.22Å; I459-I477 HydrophobicContact CG1-CG2 4.44Å; I459-I477 HydrophobicContact CG2-CG2 4.26Å |
| 460 | Q | 92.5 | Very high | 85.6 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.9 | -36.9 | 176.7 | -59.4 | -37.2 | -68.7 | 0 | 0 | 112.1 | L456 K457 L462 K463 N478 Y489 | L456-Q460 WeakPolarHBondContact O-CG 3.25Å; L456-Q460 PolarHBondContact O-N 3.45Å; L456-Q460 PolarHBondContact O-NE2 3.25Å; K457-Q460 PolarHBondContact O-N 3.05Å; Q460-L462 PolarHBondContact O-N 3.26Å; Q460-K463 VanDerWaalsContact O-CB 3.25Å; Q460-K463 WeakPolarHBondContact O-CB 3.47Å; Q460-K463 PolarHBondContact O-N 3.15Å; Q460-N478 PolarHBondContact NE2-OD1 3.03Å; Q460-N478 PolarHBondContact OE1-ND2 3.46Å; Q460-Y489 WeakPolarHBondContact CB-O 3.24Å |
| 461 | E | 89.1 | Confident | 85.3 | Confident | 100 Ų | 100 | 60.9 Ų | 60.9 | 47% | 0.467 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.1 | -21.5 | 174.9 | -69.2 | 168.2 | 175.1 | 0 | 0 | 112.7 | K457 K458 I459 P491 | K457-E461 WeakPolarHBondContact CE-OE1 3.36Å; K457-E461 WeakPolarHBondContact O-CG 3.5Å; K457-E461 PolarHBondContact O-N 3.44Å; K458-E461 PolarHBondContact O-N 3.14Å; I459-E461 VanDerWaalsContact C-N 3.35Å; E461-P491 HydrophobicContact CG-CG 4.46Å |
| 462 | L | 87 | Confident | 85.2 | Confident | 31 Ų | 31 | 65.1 Ų | 65.1 | 16% | 0.162 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -9.5 | 175.2 | -65.5 | 173.5 | 0 | 0 | 0 | 113.8 | L429 V433 K458 I459 Q460 N466 I474 | L429-L462 HydrophobicContact CD1-CD1 4.13Å; L429-L462 HydrophobicContact CD2-CD1 3.93Å; L429-L462 HydrophobicContact CD2-CD2 3.68Å; L429-L462 HydrophobicContact CD2-CG 4.46Å; L429-L462 HydrophobicContact CG-CD1 4.33Å; V433-L462 HydrophobicContact CG2-CD1 4.21Å; K458-L462 WeakPolarHBondContact O-CG 3.34Å; K458-L462 PolarHBondContact O-N 3.11Å; I459-L462 HydrophobicContact CD1-CD1 4.37Å; I459-L462 PolarHBondContact O-N 3.49Å; Q460-L462 PolarHBondContact O-N 3.26Å; L462-N466 PolarHBondContact O-ND2 3.23Å; L462-I474 HydrophobicContact CB-CD1 4.02Å |
| 463 | K | 75.1 | Confident | 85.3 | Confident | 105 Ų | 105 | 64 Ų | 64 | 46% | 0.457 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -71.1 | -37.3 | -170 | -171.3 | -177.1 | 175.9 | -172.9 | 0 | 113 | Q460 D465 | Q460-K463 VanDerWaalsContact O-CB 3.25Å; Q460-K463 WeakPolarHBondContact O-CB 3.47Å; Q460-K463 PolarHBondContact O-N 3.15Å; K463-D465 PolarHBondContact O-N 3.39Å |
| 464 | D | 64.6 | Low | 85.3 | Confident | 122 Ų | 122 | 62.3 Ų | 62.3 | 65% | 0.652 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -17 | -167.1 | -68.3 | -19.8 | 0 | 0 | 0 | 113.9 | ||
| 465 | D | 62.8 | Low | 85.4 | Confident | 144 Ų | 144 | 64.5 Ų | 64.5 | 77% | 0.77 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.1 | -0.6 | -170.6 | -69.3 | -33.8 | 0 | 0 | 0 | 115.5 | K463 | K463-D465 PolarHBondContact O-N 3.39Š|
| 466 | N | 65.6 | Low | 85.4 | Confident | 47 Ų | 47 | 66.3 Ų | 66.3 | 25% | 0.251 | 34% | 0.343 | S | S | . | . | trans | -122.5 | 121.7 | -163.7 | -70.7 | -63.4 | 0 | 0 | 0 | 115.4 | L462 L470 | L462-N466 PolarHBondContact O-ND2 3.23Å; N466-L470 HydrophobicContact CB-CB 4.36Å; N466-L470 HydrophobicContact CB-CD2 3.93Å; N466-L470 HydrophobicContact CB-CG 4.1Å; N466-L470 WeakPolarHBondContact OD1-CD2 3.44Å | ||
| 467 | E | 72.8 | Confident | 85.5 | Confident | 189 Ų | 189 | 66.3 Ų | 66.3 | 88% | 0.883 | 34% | 0.343 | S | S | * | . | trans | -101.9 | 162.3 | 169.2 | -65.1 | -175.2 | 172 | 0 | 0 | 112.5 | ||||
| 468 | G | 82.5 | Confident | 85.6 | Confident | 47 Ų | 47 | 61.9 Ų | 61.9 | 49% | 0.485 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | -146.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115 | L470 S471 E472 | G468-L470 PolarHBondContact O-N 3.44Å; G468-L470 VanDerWaalsContact O-N 3.08Å; G468-S471 VanDerWaalsContact O-CB 3.3Å; G468-S471 WeakPolarHBondContact O-CB 3.48Å; G468-S471 PolarHBondContact O-N 3.34Å; G468-E472 PolarHBondContact O-N 3.46Å |
| 469 | L | 85.5 | Confident | 85.8 | Confident | 108 Ų | 108 | 66.4 Ų | 66.4 | 57% | 0.565 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -54.3 | -33.3 | -172.2 | -72.8 | 174.8 | 0 | 0 | 0 | 114 | E472 Y473 | L469-E472 PolarHBondContact O-N 2.98Å; L469-Y473 HydrophobicContact CB-CE2 4.03Å; L469-Y473 WeakPolarHBondContact O-CD2 3.44Å; L469-Y473 WeakPolarHBondContact O-CE2 3.45Å; L469-Y473 VanDerWaalsContact O-CG 3.28Å; L469-Y473 PolarHBondContact O-N 3.38Å; L469-Y473 VanDerWaalsContact O-N 3.08Å |
| 470 | L | 87.7 | Confident | 85.9 | Confident | 17 Ų | 17 | 67.2 Ų | 67.2 | 9% | 0.089 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 179 | -177.2 | 53.3 | 0 | 0 | 0 | 111.3 | V433 N466 G468 E472 Y473 I474 | V433-L470 HydrophobicContact CB-CD1 3.79Å; V433-L470 HydrophobicContact CG1-CD1 3.83Å; V433-L470 HydrophobicContact CG2-CD1 3.92Å; N466-L470 HydrophobicContact CB-CB 4.36Å; N466-L470 HydrophobicContact CB-CD2 3.93Å; N466-L470 HydrophobicContact CB-CG 4.1Å; N466-L470 WeakPolarHBondContact OD1-CD2 3.44Å; G468-L470 PolarHBondContact O-N 3.44Å; G468-L470 VanDerWaalsContact O-N 3.08Å; L470-E472 VanDerWaalsContact C-N 3.34Å; L470-E472 PolarHBondContact O-N 3.49Å; L470-Y473 PolarHBondContact O-N 3.32Å; L470-I474 HydrophobicContact CD1-CD1 4.39Å; L470-I474 HydrophobicContact CD1-CG1 4.47Å; L470-I474 HydrophobicContact CG-CD1 4.14Å; L470-I474 VanDerWaalsContact O-CG1 3.29Å; L470-I474 WeakPolarHBondContact O-CG1 3.13Å; L470-I474 PolarHBondContact O-N 3.04Å |
| 471 | S | 88.3 | Confident | 86.1 | Confident | 39 Ų | 39 | 68.4 Ų | 68.4 | 27% | 0.273 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 174.1 | -167.5 | 0 | 0 | 0 | 0 | 111.6 | G468 Y473 I474 N475 | G468-S471 VanDerWaalsContact O-CB 3.3Å; G468-S471 WeakPolarHBondContact O-CB 3.48Å; G468-S471 PolarHBondContact O-N 3.34Å; S471-Y473 PolarHBondContact O-N 3.15Å; S471-I474 PolarHBondContact O-N 2.98Å; S471-N475 WeakPolarHBondContact O-CB 3.47Å; S471-N475 VanDerWaalsContact O-CG 3.23Å; S471-N475 PolarHBondContact O-N 3.33Å; S471-N475 PolarHBondContact O-ND2 2.93Å; S471-N475 VanDerWaalsContact O-ND2 3.15Å |
| 472 | E | 91.4 | Very high | 86.3 | Confident | 119 Ų | 119 | 67.2 Ų | 67.2 | 56% | 0.556 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -59.9 | -44 | 174.9 | -66.8 | 175.3 | -154.2 | 0 | 0 | 112.2 | G468 L469 L470 N475 A476 | G468-E472 PolarHBondContact O-N 3.46Å; L469-E472 PolarHBondContact O-N 2.98Å; L470-E472 VanDerWaalsContact C-N 3.34Å; L470-E472 PolarHBondContact O-N 3.49Å; E472-N475 PolarHBondContact O-N 2.8Å; E472-A476 WeakPolarHBondContact O-CB 3.48Å; E472-A476 PolarHBondContact O-N 3.16Å |
| 473 | Y | 94.3 | Very high | 86.5 | Confident | 64 Ų | 64 | 71.2 Ų | 71.2 | 25% | 0.251 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.2 | -39.4 | 177 | -58.1 | -44 | 0 | 0 | 0 | 112.5 | A434 L469 L470 S471 N475 A476 I477 | A434-Y473 HydrophobicContact CB-CD1 4.16Å; A434-Y473 HydrophobicContact CB-CD2 3.68Å; A434-Y473 HydrophobicContact CB-CE1 3.99Å; A434-Y473 HydrophobicContact CB-CE2 3.53Å; A434-Y473 HydrophobicContact CB-CG 4.02Å; L469-Y473 HydrophobicContact CB-CE2 4.03Å; L469-Y473 WeakPolarHBondContact O-CD2 3.44Å; L469-Y473 WeakPolarHBondContact O-CE2 3.45Å; L469-Y473 VanDerWaalsContact O-CG 3.28Å; L469-Y473 PolarHBondContact O-N 3.38Å; L469-Y473 VanDerWaalsContact O-N 3.08Å; L470-Y473 PolarHBondContact O-N 3.32Å; S471-Y473 PolarHBondContact O-N 3.15Å; Y473-N475 VanDerWaalsContact C-N 3.34Å; Y473-A476 PolarHBondContact O-N 3.06Å; Y473-I477 WeakPolarHBondContact O-CG1 3.25Å; Y473-I477 PolarHBondContact O-N 3.23Å |
| 474 | I | 93.8 | Very high | 87.3 | Confident | 2 Ų | 2 | 72.5 Ų | 72.5 | 1% | 0.01 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 174.6 | -70.3 | 169.4 | 0 | 0 | 0 | 110 | V433 I459 L462 L470 S471 A476 I477 N478 | V433-I474 HydrophobicContact CG1-CG1 4.12Å; I459-I474 HydrophobicContact CG2-CB 4.4Å; I459-I474 HydrophobicContact CG2-CG1 4.24Å; I459-I474 HydrophobicContact CG2-CG2 3.87Å; L462-I474 HydrophobicContact CB-CD1 4.02Å; L470-I474 HydrophobicContact CD1-CD1 4.39Å; L470-I474 HydrophobicContact CD1-CG1 4.47Å; L470-I474 HydrophobicContact CG-CD1 4.14Å; L470-I474 VanDerWaalsContact O-CG1 3.29Å; L470-I474 WeakPolarHBondContact O-CG1 3.13Å; L470-I474 PolarHBondContact O-N 3.04Å; S471-I474 PolarHBondContact O-N 2.98Å; I474-A476 PolarHBondContact O-N 2.99Å; I474-I477 PolarHBondContact O-N 2.89Å; I474-N478 VanDerWaalsContact O-CG 3.32Å; I474-N478 PolarHBondContact O-N 3.47Å |
| 475 | N | 93 | Very high | 88.5 | Confident | 69 Ų | 69 | 68.9 Ų | 68.9 | 37% | 0.369 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 177.6 | -69.6 | -30.5 | 0 | 0 | 0 | 112.1 | S471 E472 Y473 I477 N478 N479 | S471-N475 WeakPolarHBondContact O-CB 3.47Å; S471-N475 VanDerWaalsContact O-CG 3.23Å; S471-N475 PolarHBondContact O-N 3.33Å; S471-N475 PolarHBondContact O-ND2 2.93Å; S471-N475 VanDerWaalsContact O-ND2 3.15Å; E472-N475 PolarHBondContact O-N 2.8Å; Y473-N475 VanDerWaalsContact C-N 3.34Å; N475-I477 VanDerWaalsContact C-N 3.32Å; N475-I477 PolarHBondContact O-N 3.46Å; N475-N478 PolarHBondContact O-N 2.89Å; N475-N479 WeakPolarHBondContact O-CB 3.33Å; N475-N479 PolarHBondContact O-N 3.2Å; N475-N479 PolarHBondContact O-ND2 3.18Å |
| 476 | A | 95 | Very high | 90 | Very high | 37 Ų | 37 | 62.8 Ų | 62.8 | 31% | 0.306 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.7 | -38.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E472 Y473 I474 C480 | E472-A476 WeakPolarHBondContact O-CB 3.48Å; E472-A476 PolarHBondContact O-N 3.16Å; Y473-A476 PolarHBondContact O-N 3.06Å; I474-A476 PolarHBondContact O-N 2.99Å; A476-C480 PolarHBondContact O-SG 2.98Å |
| 477 | I | 96.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.8 | -46.7 | 172.8 | -66.9 | 168.5 | 0 | 0 | 0 | 110.4 | V433 F436 L440 F450 L456 I459 Y473 I474 N475 N479 C480 Y481 | V433-I477 HydrophobicContact CG1-CD1 3.7Å; F436-I477 HydrophobicContact CB-CD1 3.73Å; F436-I477 HydrophobicContact CB-CG1 4.31Å; L440-I477 HydrophobicContact CD1-CG1 4.21Å; L440-I477 HydrophobicContact CD1-CG2 3.85Å; F450-I477 HydrophobicContact CE1-CG2 4.06Å; L456-I477 HydrophobicContact CD1-CG2 4.4Å; I459-I477 HydrophobicContact CD1-CD1 3.85Å; I459-I477 HydrophobicContact CG1-CD1 4.22Å; I459-I477 HydrophobicContact CG1-CG2 4.44Å; I459-I477 HydrophobicContact CG2-CG2 4.26Å; Y473-I477 WeakPolarHBondContact O-CG1 3.25Å; Y473-I477 PolarHBondContact O-N 3.23Å; I474-I477 PolarHBondContact O-N 2.89Å; N475-I477 VanDerWaalsContact C-N 3.32Å; N475-I477 PolarHBondContact O-N 3.46Å; I477-N479 VanDerWaalsContact C-N 3.28Å; I477-N479 PolarHBondContact O-N 3.24Å; I477-C480 WeakPolarHBondContact O-CB 3.23Å; I477-C480 PolarHBondContact O-N 3.01Å; I477-Y481 HydrophobicContact CG2-CE2 4.12Å; I477-Y481 VanDerWaalsContact O-CD2 3.23Å; I477-Y481 WeakPolarHBondContact O-CD2 3.23Å; I477-Y481 WeakPolarHBondContact O-CE2 3.39Å |
| 478 | N | 95.3 | Very high | 91.9 | Very high | 15 Ų | 15 | 64.1 Ų | 64.1 | 8% | 0.08 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.1 | -39.3 | -179.6 | -72.5 | -11.1 | 0 | 0 | 0 | 112.1 | Q460 I474 N475 C480 Y481 V486 | Q460-N478 PolarHBondContact NE2-OD1 3.03Å; Q460-N478 PolarHBondContact OE1-ND2 3.46Å; I474-N478 VanDerWaalsContact O-CG 3.32Å; I474-N478 PolarHBondContact O-N 3.47Å; N475-N478 PolarHBondContact O-N 2.89Å; N478-C480 PolarHBondContact O-N 3.06Å; N478-Y481 PolarHBondContact O-N 2.76Å; N478-V486 HydrophobicContact CB-CG1 4.25Å; N478-V486 HydrophobicContact CB-CG2 4.15Å |
| 479 | N | 95.9 | Very high | 92.3 | Very high | 139 Ų | 139 | 64.7 Ų | 64.7 | 74% | 0.743 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -9.3 | 176.3 | -68.7 | -17.9 | 0 | 0 | 0 | 113.8 | N475 I477 Y481 | N475-N479 WeakPolarHBondContact O-CB 3.33Å; N475-N479 PolarHBondContact O-N 3.2Å; N475-N479 PolarHBondContact O-ND2 3.18Å; I477-N479 VanDerWaalsContact C-N 3.28Å; I477-N479 PolarHBondContact O-N 3.24Å; N479-Y481 VanDerWaalsContact C-N 3.27Å |
| 480 | C | 95.7 | Very high | 92.5 | Very high | 16 Ų | 16 | 61 Ų | 61 | 11% | 0.108 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -9.1 | 172.5 | -63.8 | 0 | 0 | 0 | 0 | 113.6 | R447 A476 I477 N478 | R447-C480 HydrophobicContact CG-CB 4.42Å; R447-C480 PolarHBondContact NH1-O 3.24Å; A476-C480 PolarHBondContact O-SG 2.98Å; I477-C480 WeakPolarHBondContact O-CB 3.23Å; I477-C480 PolarHBondContact O-N 3.01Å; N478-C480 PolarHBondContact O-N 3.06Å |
| 481 | Y | 95.9 | Very high | 92.5 | Very high | 27 Ų | 27 | 63.5 Ų | 63.5 | 11% | 0.106 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -128.6 | 151.8 | -171.5 | -59.5 | -78.2 | 0 | 0 | 0 | 111.9 | R447 F450 V451 L456 I477 N478 N479 | R447-Y481 WeakPolarHBondContact CA-OH 3.48Å; R447-Y481 HydrophobicContact CB-CE1 3.92Å; R447-Y481 HydrophobicContact CG-CE1 4.33Å; R447-Y481 WeakPolarHBondContact O-CE1 3.49Å; R447-Y481 PolarHBondContact O-OH 3.28Å; R447-Y481 VanDerWaalsContact O-OH 3.05Å; F450-Y481 HydrophobicContact CD1-CE2 4.45Å; F450-Y481 WeakPolarHBondContact CD1-OH 3.44Å; V451-Y481 HydrophobicContact CG2-CD1 3.8Å; V451-Y481 HydrophobicContact CG2-CE1 3.33Å; L456-Y481 HydrophobicContact CD1-CD2 3.91Å; L456-Y481 HydrophobicContact CD1-CE2 4Å; L456-Y481 HydrophobicContact CD2-CD1 4.34Å; L456-Y481 HydrophobicContact CD2-CD2 4.09Å; L456-Y481 HydrophobicContact CD2-CE2 4.44Å; L456-Y481 HydrophobicContact CD2-CG 4.04Å; I477-Y481 HydrophobicContact CG2-CE2 4.12Å; I477-Y481 VanDerWaalsContact O-CD2 3.23Å; I477-Y481 WeakPolarHBondContact O-CD2 3.23Å; I477-Y481 WeakPolarHBondContact O-CE2 3.39Å; N478-Y481 PolarHBondContact O-N 2.76Å; N479-Y481 VanDerWaalsContact C-N 3.27Å |
| 482 | P | 94.3 | Very high | 92.4 | Very high | 74 Ų | 74 | 63.4 Ų | 63.4 | 48% | 0.481 | 33% | 0.325 | S | S | . | . | trans | -58 | 146.5 | 169 | -21 | 32.4 | 0 | 0 | 0 | 111.6 | E484 V485 V486 | P482-E484 WeakPolarHBondContact CB-OE2 3.19Å; P482-E484 PolarHBondContact O-N 2.85Å; P482-V485 HydrophobicContact CB-CG2 4.13Å; P482-V485 HydrophobicContact CG-CG2 4.12Å; P482-V485 WeakPolarHBondContact O-CB 3.4Å; P482-V485 PolarHBondContact O-N 3.11Å; P482-V486 PolarHBondContact O-N 3.32Å; P482-V486 VanDerWaalsContact O-N 3.11Å | ||
| 483 | E | 91.3 | Very high | 92.1 | Very high | 116 Ų | 116 | 60.2 Ų | 60.2 | 54% | 0.542 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.4 | -35.6 | -176.2 | -169.5 | -178.7 | -178.5 | 0 | 0 | 112 | V485 V486 R487 | E483-V485 VanDerWaalsContact C-N 3.28Å; E483-V485 PolarHBondContact O-N 3.27Å; E483-V486 PolarHBondContact O-N 2.94Å; E483-R487 HydrophobicContact CG-CG 4.33Å; E483-R487 WeakPolarHBondContact O-CB 3.44Å; E483-R487 VanDerWaalsContact O-CG 3.3Å; E483-R487 WeakPolarHBondContact O-CG 3.3Å; E483-R487 PolarHBondContact O-N 3.41Å; E483-R487 IonicContact OE1-CZ 3.14Å; E483-R487 IonicContact OE1-NE 3.03Å; E483-R487 PolarHBondContact OE1-NE 3.25Å; E483-R487 IonicContact OE1-NH2 2.63Å; E483-R487 PolarHBondContact OE1-NH2 3.03Å; E483-R487 IonicContact OE2-NH2 3.73Å |
| 484 | E | 90.9 | Very high | 91.6 | Very high | 131 Ų | 131 | 60.1 Ų | 60.1 | 61% | 0.612 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.7 | -37.1 | 177.2 | -56.2 | 84.5 | 172.2 | 0 | 0 | 111.7 | P482 Y488 | P482-E484 WeakPolarHBondContact CB-OE2 3.19Å; P482-E484 PolarHBondContact O-N 2.85Å; E484-Y488 VanDerWaalsContact O-CB 3.3Å; E484-Y488 WeakPolarHBondContact O-CB 3.4Å; E484-Y488 PolarHBondContact O-N 3.38Å |
| 485 | V | 91.3 | Very high | 91.3 | Very high | 46 Ų | 46 | 65.6 Ų | 65.6 | 28% | 0.279 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -70.3 | -44.8 | 176.8 | -179.7 | 0 | 0 | 0 | 0 | 109.9 | V451 L456 P482 E483 Y488 Y489 | V451-V485 HydrophobicContact CG2-CG1 4.47Å; L456-V485 HydrophobicContact CD2-CG1 3.83Å; P482-V485 HydrophobicContact CB-CG2 4.13Å; P482-V485 HydrophobicContact CG-CG2 4.12Å; P482-V485 WeakPolarHBondContact O-CB 3.4Å; P482-V485 PolarHBondContact O-N 3.11Å; E483-V485 VanDerWaalsContact C-N 3.28Å; E483-V485 PolarHBondContact O-N 3.27Å; V485-Y488 PolarHBondContact O-N 3.25Å; V485-Y489 HydrophobicContact CG1-CD2 4.14Å; V485-Y489 HydrophobicContact CG1-CE2 3.98Å; V485-Y489 VanDerWaalsContact O-CD2 3.23Å; V485-Y489 WeakPolarHBondContact O-CD2 3.43Å; V485-Y489 PolarHBondContact O-N 3.12Å |
| 486 | V | 92.9 | Very high | 90.9 | Very high | 17 Ų | 17 | 64.9 Ų | 64.9 | 10% | 0.103 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.7 | -49.4 | 176.7 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | N478 P482 E483 Y488 Y489 S490 | N478-V486 HydrophobicContact CB-CG1 4.25Å; N478-V486 HydrophobicContact CB-CG2 4.15Å; P482-V486 PolarHBondContact O-N 3.32Å; P482-V486 VanDerWaalsContact O-N 3.11Å; E483-V486 PolarHBondContact O-N 2.94Å; V486-Y488 VanDerWaalsContact C-N 3.34Å; V486-Y488 PolarHBondContact O-N 3.46Å; V486-Y489 PolarHBondContact O-N 3.18Å; V486-S490 PolarHBondContact O-N 3.2Å; V486-S490 PolarHBondContact O-OG 3.03Å; V486-S490 VanDerWaalsContact O-OG 3.12Å |
| 487 | R | 89.2 | Confident | 90.5 | Very high | 111 Ų | 111 | 66.8 Ų | 66.8 | 42% | 0.419 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.7 | -43.4 | 177.4 | -72.9 | 176.5 | -178.9 | -170.8 | 0.2 | 111.9 | E483 Y489 S490 Y493 | E483-R487 HydrophobicContact CG-CG 4.33Å; E483-R487 WeakPolarHBondContact O-CB 3.44Å; E483-R487 VanDerWaalsContact O-CG 3.3Å; E483-R487 WeakPolarHBondContact O-CG 3.3Å; E483-R487 PolarHBondContact O-N 3.41Å; E483-R487 IonicContact OE1-CZ 3.14Å; E483-R487 IonicContact OE1-NE 3.03Å; E483-R487 PolarHBondContact OE1-NE 3.25Å; E483-R487 IonicContact OE1-NH2 2.63Å; E483-R487 PolarHBondContact OE1-NH2 3.03Å; E483-R487 IonicContact OE2-NH2 3.73Å; R487-Y489 PolarHBondContact O-N 3.04Å; R487-S490 WeakPolarHBondContact O-CB 3.3Å; R487-S490 PolarHBondContact O-N 3.17Å; R487-Y493 HydrophobicContact CB-CD2 3.96Å; R487-Y493 HydrophobicContact CB-CE2 3.83Å; R487-Y493 WeakPolarHBondContact O-CB 3.06Å; R487-Y493 WeakPolarHBondContact O-CD1 3.3Å |
| 488 | Y | 90.1 | Very high | 90 | Very high | 152 Ų | 152 | 72 Ų | 72 | 60% | 0.596 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -54.7 | -35.2 | 178.5 | -179.8 | -96.8 | 0 | 0 | 0 | 113.5 | E484 V485 V486 Y493 | E484-Y488 VanDerWaalsContact O-CB 3.3Å; E484-Y488 WeakPolarHBondContact O-CB 3.4Å; E484-Y488 PolarHBondContact O-N 3.38Å; V485-Y488 PolarHBondContact O-N 3.25Å; V486-Y488 VanDerWaalsContact C-N 3.34Å; V486-Y488 PolarHBondContact O-N 3.46Å; Y488-Y493 HydrophobicContact CD2-CE1 4.35Å |
| 489 | Y | 90.6 | Very high | 89.7 | Confident | 59 Ų | 59 | 77.3 Ų | 77.3 | 23% | 0.231 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -95.1 | -3.5 | 179.5 | -70.1 | -69.8 | 0 | 0 | 0 | 114.5 | V451 L456 K457 Q460 V485 V486 R487 | V451-Y489 HydrophobicContact CG1-CE2 3.62Å; V451-Y489 WeakPolarHBondContact CG1-OH 3.46Å; L456-Y489 HydrophobicContact CB-CD2 4.5Å; L456-Y489 HydrophobicContact CD2-CD2 3.78Å; L456-Y489 HydrophobicContact CD2-CE2 4.35Å; L456-Y489 HydrophobicContact CG-CD2 4.22Å; K457-Y489 HydrophobicContact CB-CD1 3.83Å; K457-Y489 HydrophobicContact CB-CG 4.38Å; K457-Y489 HydrophobicContact CG-CD1 4.35Å; Q460-Y489 WeakPolarHBondContact CB-O 3.24Å; V485-Y489 HydrophobicContact CG1-CD2 4.14Å; V485-Y489 HydrophobicContact CG1-CE2 3.98Å; V485-Y489 VanDerWaalsContact O-CD2 3.23Å; V485-Y489 WeakPolarHBondContact O-CD2 3.43Å; V485-Y489 PolarHBondContact O-N 3.12Å; V486-Y489 PolarHBondContact O-N 3.18Å; R487-Y489 PolarHBondContact O-N 3.04Å |
| 490 | S | 89.5 | Confident | 89.3 | Confident | 32 Ų | 32 | 77.5 Ų | 77.5 | 22% | 0.224 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -70.9 | 138.9 | 177.5 | -66.6 | 0 | 0 | 0 | 0 | 111.6 | V486 R487 G492 Y493 | V486-S490 PolarHBondContact O-N 3.2Å; V486-S490 PolarHBondContact O-OG 3.03Å; V486-S490 VanDerWaalsContact O-OG 3.12Å; R487-S490 WeakPolarHBondContact O-CB 3.3Å; R487-S490 PolarHBondContact O-N 3.17Å; S490-G492 PolarHBondContact O-N 3.37Å; S490-Y493 WeakPolarHBondContact O-CB 3.4Å; S490-Y493 PolarHBondContact O-N 2.63Å |
| 491 | P | 87.1 | Confident | 88.9 | Confident | 69 Ų | 69 | 81.1 Ų | 81.1 | 45% | 0.448 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 137.7 | 170.4 | -24.8 | 33.5 | 0 | 0 | 0 | 111.5 | E461 Y493 | E461-P491 HydrophobicContact CG-CG 4.46Å; P491-Y493 VanDerWaalsContact C-N 3.3Å; P491-Y493 PolarHBondContact O-N 3.4Å |
| 492 | G | 85.9 | Confident | 88.5 | Confident | 36 Ų | 36 | 87.5 Ų | 87.5 | 37% | 0.371 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | -6.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | S490 E495 T496 | S490-G492 PolarHBondContact O-N 3.37Å; G492-E495 WeakPolarHBondContact CA-OE2 3.48Å; G492-E495 PolarHBondContact O-N 2.98Å; G492-T496 PolarHBondContact O-N 2.83Å; G492-T496 PolarHBondContact O-OG1 3.12Å |
| 493 | Y | 86.7 | Confident | 88.2 | Confident | 53 Ų | 53 | 87.5 Ų | 87.5 | 21% | 0.208 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -69.5 | -36.1 | -176.3 | -178.4 | -104.6 | 0 | 0 | 0 | 113.1 | R487 Y488 S490 P491 E495 T496 L497 | R487-Y493 HydrophobicContact CB-CD2 3.96Å; R487-Y493 HydrophobicContact CB-CE2 3.83Å; R487-Y493 WeakPolarHBondContact O-CB 3.06Å; R487-Y493 WeakPolarHBondContact O-CD1 3.3Å; Y488-Y493 HydrophobicContact CD2-CE1 4.35Å; S490-Y493 WeakPolarHBondContact O-CB 3.4Å; S490-Y493 PolarHBondContact O-N 2.63Å; P491-Y493 VanDerWaalsContact C-N 3.3Å; P491-Y493 PolarHBondContact O-N 3.4Å; Y493-E495 VanDerWaalsContact C-N 3.3Å; Y493-E495 PolarHBondContact O-N 3.35Å; Y493-T496 PolarHBondContact O-N 3.48Å; Y493-L497 HydrophobicContact CE1-CD2 4.49Å; Y493-L497 VanDerWaalsContact O-CB 3.3Å; Y493-L497 WeakPolarHBondContact O-CB 3.06Å; Y493-L497 PolarHBondContact O-N 3.45Å |
| 494 | A | 83.4 | Confident | 88.1 | Confident | 62 Ų | 62 | 89.6 Ų | 89.6 | 51% | 0.512 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L497 M498 | A494-L497 PolarHBondContact O-N 3.01Å; A494-M498 VanDerWaalsContact O-CG 3.29Å; A494-M498 WeakPolarHBondContact O-CG 3.37Å; A494-M498 PolarHBondContact O-N 3.18Å |
| 495 | E | 86.7 | Confident | 87.9 | Confident | 116 Ų | 116 | 91.7 Ų | 91.7 | 54% | 0.542 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.7 | -48.6 | 175.8 | -63 | 77.3 | -174.6 | 0 | 0 | 110.6 | G492 Y493 L497 M498 E499 | G492-E495 WeakPolarHBondContact CA-OE2 3.48Å; G492-E495 PolarHBondContact O-N 2.98Å; Y493-E495 VanDerWaalsContact C-N 3.3Å; Y493-E495 PolarHBondContact O-N 3.35Å; E495-L497 PolarHBondContact O-N 3.25Å; E495-M498 PolarHBondContact O-N 2.89Å; E495-M498 VanDerWaalsContact O-N 3.12Å; E495-E499 WeakPolarHBondContact O-CG 3.49Å; E495-E499 PolarHBondContact O-N 2.83Å |
| 496 | T | 85.9 | Confident | 87.6 | Confident | 55 Ų | 55 | 96.3 Ų | 96.3 | 34% | 0.337 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.7 | -36.7 | 176.1 | -52.9 | 0 | 0 | 0 | 0 | 111.9 | G492 Y493 R500 | G492-T496 PolarHBondContact O-N 2.83Å; G492-T496 PolarHBondContact O-OG1 3.12Å; Y493-T496 PolarHBondContact O-N 3.48Å; T496-R500 WeakPolarHBondContact O-CG 3.29Å; T496-R500 PolarHBondContact O-N 2.9Å |
| 497 | L | 85.9 | Confident | 86.9 | Confident | 77 Ų | 77 | 100 Ų | 100 | 40% | 0.403 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.1 | -40 | 177.7 | -170 | 72.7 | 0 | 0 | 0 | 111.1 | Y493 A494 E495 R500 V501 | Y493-L497 HydrophobicContact CE1-CD2 4.49Å; Y493-L497 VanDerWaalsContact O-CB 3.3Å; Y493-L497 WeakPolarHBondContact O-CB 3.06Å; Y493-L497 PolarHBondContact O-N 3.45Å; A494-L497 PolarHBondContact O-N 3.01Å; E495-L497 PolarHBondContact O-N 3.25Å; L497-R500 WeakPolarHBondContact O-CB 3.29Å; L497-R500 PolarHBondContact O-N 3.28Å; L497-V501 WeakPolarHBondContact O-CG2 3.41Å; L497-V501 PolarHBondContact O-N 3.28Å |
| 498 | M | 85.6 | Confident | 85.9 | Confident | 110 Ų | 110 | 106.1 Ų | 106.1 | 54% | 0.542 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 174.8 | -71.6 | -60.3 | -65.6 | 0 | 0 | 111.6 | A494 E495 R500 V501 E502 | A494-M498 VanDerWaalsContact O-CG 3.29Å; A494-M498 WeakPolarHBondContact O-CG 3.37Å; A494-M498 PolarHBondContact O-N 3.18Å; E495-M498 PolarHBondContact O-N 2.89Å; E495-M498 VanDerWaalsContact O-N 3.12Å; M498-R500 VanDerWaalsContact C-N 3.25Å; M498-R500 PolarHBondContact O-N 2.89Å; M498-V501 WeakPolarHBondContact O-CB 3.36Å; M498-V501 PolarHBondContact O-N 3.48Å; M498-E502 WeakPolarHBondContact O-CG 3.48Å; M498-E502 PolarHBondContact O-N 3.06Å |
| 499 | E | 88.4 | Confident | 85.7 | Confident | 125 Ų | 125 | 103.9 Ų | 103.9 | 58% | 0.584 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -57.3 | -39.5 | 173.5 | -72.4 | 174.9 | -179.9 | 0 | 0 | 111.9 | E495 E502 A503 | E495-E499 WeakPolarHBondContact O-CG 3.49Å; E495-E499 PolarHBondContact O-N 2.83Å; E499-E502 PolarHBondContact O-N 3.05Å; E499-A503 VanDerWaalsContact O-CB 3.29Å; E499-A503 WeakPolarHBondContact O-CB 3.49Å; E499-A503 PolarHBondContact O-N 3.3Å |
| 500 | R | 87.7 | Confident | 85.4 | Confident | 144 Ų | 144 | 106.2 Ų | 106.2 | 54% | 0.543 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69 | -34.3 | 175.6 | -73.5 | 176.9 | -175.4 | -175.3 | 2.6 | 113.2 | T496 L497 M498 Y504 | T496-R500 WeakPolarHBondContact O-CG 3.29Å; T496-R500 PolarHBondContact O-N 2.9Å; L497-R500 WeakPolarHBondContact O-CB 3.29Å; L497-R500 PolarHBondContact O-N 3.28Å; M498-R500 VanDerWaalsContact C-N 3.25Å; M498-R500 PolarHBondContact O-N 2.89Å; R500-Y504 WeakPolarHBondContact O-CB 3.46Å; R500-Y504 PolarHBondContact O-N 2.94Å |
| 501 | V | 87.5 | Confident | 85.2 | Confident | 92 Ų | 92 | 110.3 Ų | 110.3 | 56% | 0.558 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.9 | -43 | 175.3 | 171.2 | 0 | 0 | 0 | 0 | 110.2 | L497 M498 A503 Y504 | L497-V501 WeakPolarHBondContact O-CG2 3.41Å; L497-V501 PolarHBondContact O-N 3.28Å; M498-V501 WeakPolarHBondContact O-CB 3.36Å; M498-V501 PolarHBondContact O-N 3.48Å; V501-A503 VanDerWaalsContact C-N 3.3Å; V501-A503 PolarHBondContact O-N 3.5Å; V501-Y504 VanDerWaalsContact O-CB 3.32Å; V501-Y504 WeakPolarHBondContact O-CB 3.32Å; V501-Y504 PolarHBondContact O-N 3.14Å; V501-Y504 VanDerWaalsContact O-N 3.11Å |
| 502 | E | 87.7 | Confident | 85.1 | Confident | 161 Ų | 161 | 112.8 Ų | 112.8 | 75% | 0.752 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.6 | -36.5 | 174.9 | -71.1 | 179.1 | -179.9 | 0 | 0 | 112.1 | M498 E499 Y504 | M498-E502 WeakPolarHBondContact O-CG 3.48Å; M498-E502 PolarHBondContact O-N 3.06Å; E499-E502 PolarHBondContact O-N 3.05Å; E502-Y504 VanDerWaalsContact C-N 3.3Å; E502-Y504 PolarHBondContact O-N 3.46Å |
| 503 | A | 88.5 | Confident | 85 | Confident | 74 Ų | 74 | 117.6 Ų | 117.6 | 61% | 0.612 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -6.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | E499 V501 Q505 | E499-A503 VanDerWaalsContact O-CB 3.29Å; E499-A503 WeakPolarHBondContact O-CB 3.49Å; E499-A503 PolarHBondContact O-N 3.3Å; V501-A503 VanDerWaalsContact C-N 3.3Å; V501-A503 PolarHBondContact O-N 3.5Å; A503-Q505 PolarHBondContact O-N 3.11Å; A503-Q505 VanDerWaalsContact O-N 3.14Å |
| 504 | Y | 89.3 | Confident | 84.9 | Confident | 159 Ų | 159 | 121.9 Ų | 121.9 | 62% | 0.624 | 63% | 0.627 | S | S | * | * | trans | -72.8 | 109.6 | -174.5 | -172.9 | -98.6 | 0 | 0 | 0 | 111.1 | R500 V501 E502 | R500-Y504 WeakPolarHBondContact O-CB 3.46Å; R500-Y504 PolarHBondContact O-N 2.94Å; V501-Y504 VanDerWaalsContact O-CB 3.32Å; V501-Y504 WeakPolarHBondContact O-CB 3.32Å; V501-Y504 PolarHBondContact O-N 3.14Å; V501-Y504 VanDerWaalsContact O-N 3.11Å; E502-Y504 VanDerWaalsContact C-N 3.3Å; E502-Y504 PolarHBondContact O-N 3.46Å | ||
| 505 | Q | 87.1 | Confident | 85 | Confident | 175 Ų | 175 | 126.1 Ų | 126.1 | 82% | 0.818 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 122.7 | 171.1 | -63.8 | -177.4 | -0.2 | 0 | 0 | 109.1 | A503 P507 | A503-Q505 PolarHBondContact O-N 3.11Å; A503-Q505 VanDerWaalsContact O-N 3.14Å; Q505-P507 WeakPolarHBondContact O-CD 3.39Å |
| 506 | I | 84.6 | Confident | 84.9 | Confident | 144 Ų | 144 | 126.9 Ų | 126.9 | 74% | 0.738 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 121.8 | 175 | -58.2 | 169.5 | 0 | 0 | 0 | 107.6 | I508 | I506-I508 PolarHBondContact O-N 3.21Š|
| 507 | P | 78.3 | Confident | 84.8 | Confident | 95 Ų | 95 | 132.9 Ų | 132.9 | 62% | 0.617 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 124.3 | 173.6 | 8.2 | -8.2 | 0 | 0 | 0 | 109 | Q505 | Q505-P507 WeakPolarHBondContact O-CD 3.39Š|
| 508 | I | 67.4 | Low | 84.7 | Confident | 239 Ų | 239 | 138 Ų | 138 | 100% | 1.226 | 69% | 0.692 | S | S | * | * | trans | -66.6 | 0 | 177.7 | -59.3 | 174.5 | 0 | 0 | 0 | 110.2 | I506 | I506-I508 PolarHBondContact O-N 3.21Š|
Retrieved 508 of 508 residues in 205.6 ms
(Link to these results)