| 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 | 75.4 | Confident | 89.6 | Confident | 206 Ų | 206 | 135.9 Ų | 135.9 | 100% | 1.015 | 64% | 0.64 | S | S | * | * | 0 | -58.5 | 0 | -68.8 | -57.6 | -82.8 | 0 | 0 | 112.2 | A4 A5 | M1-A4 PolarHBondContact O-N 3.34Å; M1-A5 PolarHBondContact O-N 2.89Å; M1-A5 VanDerWaalsContact O-N 3.11Å | |||
| 2 | R | 85.8 | Confident | 90 | Very high | 203 Ų | 203 | 134.5 Ų | 134.5 | 77% | 0.766 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -60.1 | -50.6 | 179.3 | -170.2 | -177.8 | -64.2 | 163.3 | -0.2 | 113.6 | A4 A5 E6 | R2-A4 VanDerWaalsContact C-N 3.28Å; R2-A4 PolarHBondContact O-N 3.2Å; R2-A5 WeakPolarHBondContact O-CB 3.34Å; R2-A5 PolarHBondContact O-N 3.42Å; R2-E6 WeakPolarHBondContact CG-OE1 3.45Å; R2-E6 PolarHBondContact O-N 3.42Å |
| 3 | E | 87.5 | Confident | 90.5 | Very high | 153 Ų | 153 | 131.7 Ų | 131.7 | 72% | 0.715 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -60.7 | -35.4 | 178.1 | -171 | -177.5 | 174.8 | 0 | 0 | 113.2 | R7 | E3-R7 WeakPolarHBondContact O-CB 2.99Å; E3-R7 PolarHBondContact O-N 2.95Å |
| 4 | A | 88.9 | Confident | 90.7 | Very high | 68 Ų | 68 | 128.9 Ų | 128.9 | 56% | 0.562 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -69.7 | -33.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | M1 R2 R8 | M1-A4 PolarHBondContact O-N 3.34Å; R2-A4 VanDerWaalsContact C-N 3.28Å; R2-A4 PolarHBondContact O-N 3.2Å; A4-R8 WeakPolarHBondContact O-CB 3.3Å; A4-R8 PolarHBondContact O-N 3.34Å; A4-R8 VanDerWaalsContact O-N 3.16Å |
| 5 | A | 90.4 | Very high | 90.9 | Very high | 57 Ų | 57 | 128.4 Ų | 128.4 | 47% | 0.471 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -71.7 | -41.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1 R2 R8 Q9 | M1-A5 PolarHBondContact O-N 2.89Å; M1-A5 VanDerWaalsContact O-N 3.11Å; R2-A5 WeakPolarHBondContact O-CB 3.34Å; R2-A5 PolarHBondContact O-N 3.42Å; A5-R8 PolarHBondContact O-N 2.79Å; A5-Q9 PolarHBondContact O-N 3.35Å |
| 6 | E | 91.5 | Very high | 91.3 | Very high | 110 Ų | 110 | 128.9 Ų | 128.9 | 51% | 0.514 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -62.5 | -43.8 | 175 | -72.8 | 168.8 | -169.7 | 0 | 0 | 111.4 | R2 R8 Q9 Q10 | R2-E6 WeakPolarHBondContact CG-OE1 3.45Å; R2-E6 PolarHBondContact O-N 3.42Å; E6-R8 VanDerWaalsContact C-N 3.31Å; E6-R8 PolarHBondContact O-N 3.32Å; E6-Q9 PolarHBondContact O-N 3.5Å; E6-Q10 PolarHBondContact O-N 3.19Å |
| 7 | R | 92.3 | Very high | 91.5 | Very high | 179 Ų | 179 | 128.8 Ų | 128.8 | 68% | 0.675 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.4 | -34.5 | 177 | -162.2 | 176.6 | -172.1 | 104.3 | 2.8 | 112.8 | E3 L11 | E3-R7 WeakPolarHBondContact O-CB 2.99Å; E3-R7 PolarHBondContact O-N 2.95Å; R7-L11 WeakPolarHBondContact O-CG 3.48Å; R7-L11 PolarHBondContact O-N 2.89Å; R7-L11 VanDerWaalsContact O-N 3.11Å |
| 8 | R | 92.9 | Very high | 91.7 | Very high | 182 Ų | 182 | 124.9 Ų | 124.9 | 69% | 0.687 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.7 | -44.1 | 174.6 | -179.4 | 179 | 171 | 178.8 | -1.5 | 111.5 | A4 A5 E6 Q10 L11 E12 | A4-R8 WeakPolarHBondContact O-CB 3.3Å; A4-R8 PolarHBondContact O-N 3.34Å; A4-R8 VanDerWaalsContact O-N 3.16Å; A5-R8 PolarHBondContact O-N 2.79Å; E6-R8 VanDerWaalsContact C-N 3.31Å; E6-R8 PolarHBondContact O-N 3.32Å; R8-Q10 VanDerWaalsContact C-N 3.32Å; R8-Q10 PolarHBondContact O-N 3.03Å; R8-L11 PolarHBondContact O-N 2.88Å; R8-E12 WeakPolarHBondContact O-CB 3.4Å; R8-E12 PolarHBondContact O-N 3.03Å |
| 9 | Q | 93.6 | Very high | 91.9 | Very high | 138 Ų | 138 | 123.1 Ų | 123.1 | 65% | 0.645 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.5 | -40.4 | 176.1 | -76.8 | -176.5 | -21 | 0 | 0 | 111.9 | A5 E6 E12 L13 | A5-Q9 PolarHBondContact O-N 3.35Å; E6-Q9 PolarHBondContact O-N 3.5Å; Q9-E12 PolarHBondContact O-N 3.18Å; Q9-L13 PolarHBondContact O-N 3.39Å |
| 10 | Q | 93.5 | Very high | 92.1 | Very high | 99 Ų | 99 | 120.1 Ų | 120.1 | 46% | 0.463 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62 | -44.2 | 176.5 | -177 | 60.1 | 27.8 | 0 | 0 | 112 | E6 R8 E12 L13 E14 | E6-Q10 PolarHBondContact O-N 3.19Å; R8-Q10 VanDerWaalsContact C-N 3.32Å; R8-Q10 PolarHBondContact O-N 3.03Å; Q10-E12 VanDerWaalsContact C-N 3.32Å; Q10-E12 PolarHBondContact O-N 3.42Å; Q10-L13 PolarHBondContact O-N 2.9Å; Q10-E14 PolarHBondContact NE2-OE1 2.87Å; Q10-E14 WeakPolarHBondContact O-CG 3.42Å; Q10-E14 PolarHBondContact O-N 3.25Å |
| 11 | L | 94.1 | Very high | 92.2 | Very high | 100 Ų | 100 | 118.5 Ų | 118.5 | 52% | 0.524 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.3 | -34.1 | 177.2 | -73.9 | 170.4 | 0 | 0 | 0 | 112.8 | R7 R8 E14 H15 | R7-L11 WeakPolarHBondContact O-CG 3.48Å; R7-L11 PolarHBondContact O-N 2.89Å; R7-L11 VanDerWaalsContact O-N 3.11Å; R8-L11 PolarHBondContact O-N 2.88Å; L11-E14 PolarHBondContact O-N 2.92Å; L11-H15 WeakPolarHBondContact O-CB 3.33Å; L11-H15 PolarHBondContact O-N 2.79Å |
| 12 | E | 94.3 | Very high | 93.2 | Very high | 119 Ų | 119 | 114.2 Ų | 114.2 | 56% | 0.556 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.9 | -41.2 | 176.6 | -167.7 | 163.1 | -165.5 | 0 | 0 | 111.2 | R8 Q9 Q10 H15 E16 | R8-E12 WeakPolarHBondContact O-CB 3.4Å; R8-E12 PolarHBondContact O-N 3.03Å; Q9-E12 PolarHBondContact O-N 3.18Å; Q10-E12 VanDerWaalsContact C-N 3.32Å; Q10-E12 PolarHBondContact O-N 3.42Å; E12-H15 PolarHBondContact O-N 3.36Å; E12-E16 PolarHBondContact O-N 3.49Å |
| 13 | L | 95.8 | Very high | 93.6 | Very high | 98 Ų | 98 | 109 Ų | 109 | 51% | 0.513 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.5 | -45 | 173.4 | -169.2 | 104.8 | 0 | 0 | 0 | 112.1 | Q9 Q10 H15 E16 Q17 | Q9-L13 PolarHBondContact O-N 3.39Å; Q10-L13 PolarHBondContact O-N 2.9Å; L13-H15 VanDerWaalsContact C-N 3.31Å; L13-H15 PolarHBondContact O-N 2.82Å; L13-E16 PolarHBondContact O-N 3.45Å; L13-Q17 WeakPolarHBondContact O-CB 3.37Å; L13-Q17 PolarHBondContact O-N 2.84Å |
| 14 | E | 93.4 | Very high | 94 | Very high | 92 Ų | 92 | 104.4 Ų | 104.4 | 43% | 0.43 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.3 | -38.1 | 177.3 | -75.3 | 173.5 | -166.6 | 0 | 0 | 111.8 | Q10 L11 A18 | Q10-E14 PolarHBondContact NE2-OE1 2.87Å; Q10-E14 WeakPolarHBondContact O-CG 3.42Å; Q10-E14 PolarHBondContact O-N 3.25Å; L11-E14 PolarHBondContact O-N 2.92Å; E14-A18 WeakPolarHBondContact O-CB 3.14Å; E14-A18 PolarHBondContact O-N 3.35Å |
| 15 | H | 94.7 | Very high | 94.2 | Very high | 122 Ų | 122 | 106.3 Ų | 106.3 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.5 | -45.2 | 175.2 | -178.7 | 62.4 | 0 | 0 | 0 | 112 | L11 E12 L13 Q17 A18 L19 | L11-H15 WeakPolarHBondContact O-CB 3.33Å; L11-H15 PolarHBondContact O-N 2.79Å; E12-H15 PolarHBondContact O-N 3.36Å; L13-H15 VanDerWaalsContact C-N 3.31Å; L13-H15 PolarHBondContact O-N 2.82Å; H15-Q17 VanDerWaalsContact C-N 3.34Å; H15-Q17 PolarHBondContact O-N 3.21Å; H15-A18 PolarHBondContact O-N 3.21Å; H15-L19 WeakPolarHBondContact NE2-CD1 3.32Å; H15-L19 WeakPolarHBondContact O-CG 3.48Å; H15-L19 PolarHBondContact O-N 2.87Å |
| 16 | E | 96.2 | Very high | 94.4 | Very high | 137 Ų | 137 | 108.1 Ų | 108.1 | 64% | 0.64 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.4 | -42 | 177 | -170.7 | 177.1 | -179.3 | 0 | 0 | 111.4 | E12 L13 A18 L19 A20 | E12-E16 PolarHBondContact O-N 3.49Å; L13-E16 PolarHBondContact O-N 3.45Å; E16-A18 PolarHBondContact O-N 3.21Å; E16-L19 PolarHBondContact O-N 2.81Å; E16-A20 PolarHBondContact O-N 2.87Å |
| 17 | Q | 95.1 | Very high | 94.6 | Very high | 127 Ų | 127 | 108.4 Ų | 108.4 | 59% | 0.593 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.5 | -42.3 | 175.4 | -170.7 | 176.5 | 15.8 | 0 | 0 | 112 | L13 H15 L19 A20 V21 | L13-Q17 WeakPolarHBondContact O-CB 3.37Å; L13-Q17 PolarHBondContact O-N 2.84Å; H15-Q17 VanDerWaalsContact C-N 3.34Å; H15-Q17 PolarHBondContact O-N 3.21Å; Q17-L19 VanDerWaalsContact C-N 3.34Å; Q17-L19 PolarHBondContact O-N 2.77Å; Q17-A20 PolarHBondContact O-N 2.96Å; Q17-V21 WeakPolarHBondContact O-CG2 3.33Å; Q17-V21 PolarHBondContact O-N 3.38Å; Q17-V21 VanDerWaalsContact O-N 3.08Å |
| 18 | A | 94.8 | Very high | 94.7 | Very high | 59 Ų | 59 | 104.3 Ų | 104.3 | 49% | 0.488 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E14 H15 E16 V21 L22 | E14-A18 WeakPolarHBondContact O-CB 3.14Å; E14-A18 PolarHBondContact O-N 3.35Å; H15-A18 PolarHBondContact O-N 3.21Å; E16-A18 PolarHBondContact O-N 3.21Å; A18-V21 PolarHBondContact O-N 2.87Å; A18-L22 WeakPolarHBondContact O-CB 3.42Å; A18-L22 PolarHBondContact O-N 2.97Å |
| 19 | L | 95.9 | Very high | 94.6 | Very high | 89 Ų | 89 | 99.3 Ų | 99.3 | 47% | 0.466 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 174.6 | -77.3 | 173.2 | 0 | 0 | 0 | 112.1 | H15 E16 Q17 L22 N23 | H15-L19 WeakPolarHBondContact NE2-CD1 3.32Å; H15-L19 WeakPolarHBondContact O-CG 3.48Å; H15-L19 PolarHBondContact O-N 2.87Å; E16-L19 PolarHBondContact O-N 2.81Å; Q17-L19 VanDerWaalsContact C-N 3.34Å; Q17-L19 PolarHBondContact O-N 2.77Å; L19-L22 PolarHBondContact O-N 3.01Å; L19-N23 WeakPolarHBondContact O-CB 3.21Å; L19-N23 PolarHBondContact O-N 3.48Å |
| 20 | A | 95.8 | Very high | 94.7 | Very high | 64 Ų | 64 | 96.6 Ų | 96.6 | 53% | 0.529 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E16 Q17 N23 A24 | E16-A20 PolarHBondContact O-N 2.87Å; Q17-A20 PolarHBondContact O-N 2.96Å; A20-N23 PolarHBondContact O-N 3.42Å; A20-A24 WeakPolarHBondContact O-CB 3.38Å; A20-A24 PolarHBondContact O-N 3.21Å |
| 21 | V | 95.4 | Very high | 94.8 | Very high | 86 Ų | 86 | 97.6 Ų | 97.6 | 52% | 0.521 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.9 | -42.3 | 176.2 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | Q17 A18 N23 A24 K25 | Q17-V21 WeakPolarHBondContact O-CG2 3.33Å; Q17-V21 PolarHBondContact O-N 3.38Å; Q17-V21 VanDerWaalsContact O-N 3.08Å; A18-V21 PolarHBondContact O-N 2.87Å; V21-N23 PolarHBondContact O-N 2.62Å; V21-A24 PolarHBondContact O-N 2.92Å; V21-K25 HydrophobicContact CG1-CG 4.44Å; V21-K25 WeakPolarHBondContact O-CB 3.39Å; V21-K25 WeakPolarHBondContact O-CG 3.49Å; V21-K25 PolarHBondContact O-N 2.8Å |
| 22 | L | 94.9 | Very high | 94.7 | Very high | 116 Ų | 116 | 98.1 Ų | 98.1 | 61% | 0.607 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.4 | -43.5 | 178 | -174.1 | 68.8 | 0 | 0 | 0 | 111.4 | A18 L19 K25 Q26 | A18-L22 WeakPolarHBondContact O-CB 3.42Å; A18-L22 PolarHBondContact O-N 2.97Å; L19-L22 PolarHBondContact O-N 3.01Å; L22-K25 PolarHBondContact O-N 2.84Å; L22-Q26 PolarHBondContact O-N 3.29Å |
| 23 | N | 95.3 | Very high | 94.6 | Very high | 95 Ų | 95 | 97.7 Ų | 97.7 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65 | -43.6 | 178.1 | -164.7 | -28.9 | 0 | 0 | 0 | 111.4 | L19 A20 V21 K25 Q26 Q27 | L19-N23 WeakPolarHBondContact O-CB 3.21Å; L19-N23 PolarHBondContact O-N 3.48Å; A20-N23 PolarHBondContact O-N 3.42Å; V21-N23 PolarHBondContact O-N 2.62Å; N23-K25 VanDerWaalsContact C-N 3.3Å; N23-K25 PolarHBondContact O-N 2.86Å; N23-Q26 WeakPolarHBondContact O-CB 3.3Å; N23-Q26 PolarHBondContact O-N 2.88Å; N23-Q26 VanDerWaalsContact O-N 3.15Å; N23-Q27 WeakPolarHBondContact O-CG 3.35Å; N23-Q27 PolarHBondContact O-N 2.83Å |
| 24 | A | 95.6 | Very high | 94.6 | Very high | 55 Ų | 55 | 100.2 Ų | 100.2 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A20 V21 Q27 E28 | A20-A24 WeakPolarHBondContact O-CB 3.38Å; A20-A24 PolarHBondContact O-N 3.21Å; V21-A24 PolarHBondContact O-N 2.92Å; A24-Q27 PolarHBondContact O-N 3.41Å; A24-E28 PolarHBondContact O-N 2.87Å; A24-E28 VanDerWaalsContact O-N 3.08Å |
| 25 | K | 93.1 | Very high | 94.5 | Very high | 108 Ų | 108 | 98.3 Ų | 98.3 | 47% | 0.47 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.8 | -36 | 175.5 | -73.3 | -73.9 | 162.6 | -157.7 | 0 | 112.5 | V21 L22 N23 E28 I29 | V21-K25 HydrophobicContact CG1-CG 4.44Å; V21-K25 WeakPolarHBondContact O-CB 3.39Å; V21-K25 WeakPolarHBondContact O-CG 3.49Å; V21-K25 PolarHBondContact O-N 2.8Å; L22-K25 PolarHBondContact O-N 2.84Å; N23-K25 VanDerWaalsContact C-N 3.3Å; N23-K25 PolarHBondContact O-N 2.86Å; K25-E28 IonicContact NZ-OE1 3.65Å; K25-E28 IonicContact NZ-OE2 2.94Å; K25-E28 PolarHBondContact NZ-OE2 2.81Å; K25-E28 PolarHBondContact O-N 2.9Å; K25-I29 WeakPolarHBondContact O-CG1 3.3Å; K25-I29 PolarHBondContact O-N 2.85Å |
| 26 | Q | 94.4 | Very high | 94.3 | Very high | 95 Ų | 95 | 99.3 Ų | 99.3 | 44% | 0.444 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 174.7 | -171.9 | 59.4 | 56.6 | 0 | 0 | 111.4 | L22 N23 E28 I29 D30 | L22-Q26 PolarHBondContact O-N 3.29Å; N23-Q26 WeakPolarHBondContact O-CB 3.3Å; N23-Q26 PolarHBondContact O-N 2.88Å; N23-Q26 VanDerWaalsContact O-N 3.15Å; Q26-E28 VanDerWaalsContact C-N 3.32Å; Q26-E28 PolarHBondContact O-N 2.92Å; Q26-I29 PolarHBondContact O-N 2.68Å; Q26-D30 PolarHBondContact NE2-OD1 2.67Å; Q26-D30 VanDerWaalsContact NE2-OD1 3.08Å; Q26-D30 VanDerWaalsContact O-CG 3.29Å; Q26-D30 PolarHBondContact O-N 3.15Å |
| 27 | Q | 95.4 | Very high | 94.1 | Very high | 117 Ų | 117 | 97.7 Ų | 97.7 | 55% | 0.547 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.1 | -37.2 | 175.8 | -68.9 | -180 | -4.5 | 0 | 0 | 112.7 | N23 A24 D30 L31 | N23-Q27 WeakPolarHBondContact O-CG 3.35Å; N23-Q27 PolarHBondContact O-N 2.83Å; A24-Q27 PolarHBondContact O-N 3.41Å; Q27-D30 PolarHBondContact O-N 2.81Å; Q27-L31 WeakPolarHBondContact O-CG 3.32Å; Q27-L31 PolarHBondContact O-N 3.06Å |
| 28 | E | 93.8 | Very high | 94 | Very high | 92 Ų | 92 | 97.2 Ų | 97.2 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 174.6 | -171.4 | 179.3 | -179.2 | 0 | 0 | 111.5 | A24 K25 Q26 L31 L32 | A24-E28 PolarHBondContact O-N 2.87Å; A24-E28 VanDerWaalsContact O-N 3.08Å; K25-E28 IonicContact NZ-OE1 3.65Å; K25-E28 IonicContact NZ-OE2 2.94Å; K25-E28 PolarHBondContact NZ-OE2 2.81Å; K25-E28 PolarHBondContact O-N 2.9Å; Q26-E28 VanDerWaalsContact C-N 3.32Å; Q26-E28 PolarHBondContact O-N 2.92Å; E28-L31 PolarHBondContact O-N 3.23Å; E28-L32 HydrophobicContact CG-CD1 4.45Å; E28-L32 WeakPolarHBondContact O-CG 3.34Å; E28-L32 PolarHBondContact O-N 2.94Å |
| 29 | I | 92.8 | Very high | 93.8 | Very high | 78 Ų | 78 | 97 Ų | 97 | 40% | 0.4 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 175.4 | -69.1 | 165.8 | 0 | 0 | 0 | 110.8 | K25 Q26 L31 L32 Q33 | K25-I29 WeakPolarHBondContact O-CG1 3.3Å; K25-I29 PolarHBondContact O-N 2.85Å; Q26-I29 PolarHBondContact O-N 2.68Å; I29-L31 VanDerWaalsContact C-N 3.31Å; I29-L31 PolarHBondContact O-N 3.42Å; I29-L32 PolarHBondContact O-N 2.81Å; I29-Q33 HydrophobicContact CG2-CG 4.34Å; I29-Q33 WeakPolarHBondContact O-CG 3.3Å; I29-Q33 PolarHBondContact O-N 2.81Å |
| 30 | D | 94.8 | Very high | 93.5 | Very high | 80 Ų | 80 | 99.1 Ų | 99.1 | 43% | 0.428 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.3 | -38.6 | -179.4 | -64.3 | -10.3 | 0 | 0 | 0 | 111.5 | Q26 Q27 Q33 K34 | Q26-D30 PolarHBondContact NE2-OD1 2.67Å; Q26-D30 VanDerWaalsContact NE2-OD1 3.08Å; Q26-D30 VanDerWaalsContact O-CG 3.29Å; Q26-D30 PolarHBondContact O-N 3.15Å; Q27-D30 PolarHBondContact O-N 2.81Å; D30-Q33 PolarHBondContact O-N 2.86Å; D30-K34 PolarHBondContact O-N 2.84Å |
| 31 | L | 95.3 | Very high | 93.4 | Very high | 121 Ų | 121 | 103.6 Ų | 103.6 | 63% | 0.634 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.9 | -44.3 | 173.5 | -79.6 | 164.1 | 0 | 0 | 0 | 112.2 | Q27 E28 I29 K34 A35 | Q27-L31 WeakPolarHBondContact O-CG 3.32Å; Q27-L31 PolarHBondContact O-N 3.06Å; E28-L31 PolarHBondContact O-N 3.23Å; I29-L31 VanDerWaalsContact C-N 3.31Å; I29-L31 PolarHBondContact O-N 3.42Å; L31-K34 PolarHBondContact O-N 2.86Å; L31-A35 PolarHBondContact O-N 2.83Å |
| 32 | L | 92.6 | Very high | 93.2 | Very high | 111 Ų | 111 | 106.1 Ų | 106.1 | 58% | 0.581 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.2 | -40.1 | 177.8 | -72.2 | 172.4 | 0 | 0 | 0 | 112 | E28 I29 K34 A35 Q36 | E28-L32 HydrophobicContact CG-CD1 4.45Å; E28-L32 WeakPolarHBondContact O-CG 3.34Å; E28-L32 PolarHBondContact O-N 2.94Å; I29-L32 PolarHBondContact O-N 2.81Å; L32-K34 VanDerWaalsContact C-N 3.34Å; L32-K34 PolarHBondContact O-N 2.77Å; L32-A35 PolarHBondContact O-N 2.81Å; L32-Q36 WeakPolarHBondContact O-CB 3.4Å; L32-Q36 PolarHBondContact O-N 2.7Å |
| 33 | Q | 92.7 | Very high | 93 | Very high | 110 Ų | 110 | 106.6 Ų | 106.6 | 51% | 0.514 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 174.9 | -74.7 | 180 | -4.3 | 0 | 0 | 111.5 | I29 D30 Q36 V37 | I29-Q33 HydrophobicContact CG2-CG 4.34Å; I29-Q33 WeakPolarHBondContact O-CG 3.3Å; I29-Q33 PolarHBondContact O-N 2.81Å; D30-Q33 PolarHBondContact O-N 2.86Å; Q33-Q36 PolarHBondContact O-N 2.83Å; Q33-V37 WeakPolarHBondContact O-CG2 3.47Å; Q33-V37 PolarHBondContact O-N 3.39Å; Q33-V37 VanDerWaalsContact O-N 3.07Å |
| 34 | K | 94.8 | Very high | 92.8 | Very high | 151 Ų | 151 | 107.1 Ų | 107.1 | 66% | 0.657 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.3 | -45.9 | 175.8 | -172.8 | -178.7 | 176.9 | -174.1 | 0 | 111.8 | D30 L31 L32 Q36 V37 E38 | D30-K34 PolarHBondContact O-N 2.84Å; L31-K34 PolarHBondContact O-N 2.86Å; L32-K34 VanDerWaalsContact C-N 3.34Å; L32-K34 PolarHBondContact O-N 2.77Å; K34-Q36 VanDerWaalsContact C-N 3.3Å; K34-Q36 PolarHBondContact O-N 2.91Å; K34-V37 PolarHBondContact O-N 3.07Å; K34-E38 PolarHBondContact O-N 2.62Å; K34-E38 VanDerWaalsContact O-N 3.11Å |
| 35 | A | 92.3 | Very high | 92.6 | Very high | 52 Ų | 52 | 106.7 Ų | 106.7 | 43% | 0.43 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.3 | -37.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L31 L32 E38 A39 | L31-A35 PolarHBondContact O-N 2.83Å; L32-A35 PolarHBondContact O-N 2.81Å; A35-E38 PolarHBondContact O-N 2.82Å; A35-A39 WeakPolarHBondContact O-CB 3.21Å; A35-A39 PolarHBondContact O-N 3.16Å |
| 36 | Q | 89.3 | Confident | 92.5 | Very high | 142 Ų | 142 | 104 Ų | 104 | 66% | 0.664 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65 | -40.2 | 176.4 | -173.3 | 178.4 | 5.6 | 0 | 0 | 112.4 | L32 Q33 K34 K40 | L32-Q36 WeakPolarHBondContact O-CB 3.4Å; L32-Q36 PolarHBondContact O-N 2.7Å; Q33-Q36 PolarHBondContact O-N 2.83Å; K34-Q36 VanDerWaalsContact C-N 3.3Å; K34-Q36 PolarHBondContact O-N 2.91Å; Q36-K40 WeakPolarHBondContact O-CB 3.4Å; Q36-K40 PolarHBondContact O-N 2.69Å |
| 37 | V | 93.3 | Very high | 92.4 | Very high | 104 Ų | 104 | 102 Ų | 102 | 63% | 0.63 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.2 | -41 | 176.2 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | Q33 K34 K40 K41 | Q33-V37 WeakPolarHBondContact O-CG2 3.47Å; Q33-V37 PolarHBondContact O-N 3.39Å; Q33-V37 VanDerWaalsContact O-N 3.07Å; K34-V37 PolarHBondContact O-N 3.07Å; V37-K40 PolarHBondContact O-N 3.12Å; V37-K41 PolarHBondContact O-N 2.79Å |
| 38 | E | 93 | Very high | 92.2 | Very high | 116 Ų | 116 | 101.5 Ų | 101.5 | 54% | 0.542 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.5 | -47.3 | 176.5 | -174.4 | 166.3 | -156 | 0 | 0 | 111.7 | K34 A35 K40 K41 E42 | K34-E38 PolarHBondContact O-N 2.62Å; K34-E38 VanDerWaalsContact O-N 3.11Å; A35-E38 PolarHBondContact O-N 2.82Å; E38-K40 VanDerWaalsContact C-N 3.28Å; E38-K40 PolarHBondContact O-N 2.86Å; E38-K41 WeakPolarHBondContact O-CB 3.15Å; E38-K41 PolarHBondContact O-N 3.45Å; E38-K41 VanDerWaalsContact O-N 3.1Å; E38-E42 PolarHBondContact O-N 2.9Å |
| 39 | A | 89.6 | Confident | 92.2 | Very high | 56 Ų | 56 | 103 Ų | 103 | 46% | 0.463 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.6 | -38.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | A35 E42 H43 | A35-A39 WeakPolarHBondContact O-CB 3.21Å; A35-A39 PolarHBondContact O-N 3.16Å; A39-E42 PolarHBondContact O-N 3.26Å; A39-H43 WeakPolarHBondContact O-CB 3.17Å; A39-H43 PolarHBondContact O-N 3.2Å |
| 40 | K | 89.4 | Confident | 92.2 | Very high | 133 Ų | 133 | 105.2 Ų | 105.2 | 58% | 0.578 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.4 | -41.7 | 175.3 | -168.9 | -175.8 | -179.2 | -161.1 | 0 | 111.6 | Q36 V37 E38 H43 E44 | Q36-K40 WeakPolarHBondContact O-CB 3.4Å; Q36-K40 PolarHBondContact O-N 2.69Å; V37-K40 PolarHBondContact O-N 3.12Å; E38-K40 VanDerWaalsContact C-N 3.28Å; E38-K40 PolarHBondContact O-N 2.86Å; K40-H43 WeakPolarHBondContact O-CB 3.31Å; K40-H43 PolarHBondContact O-N 3.14Å; K40-E44 WeakPolarHBondContact CE-OE1 3.43Å; K40-E44 IonicContact NZ-OE1 2.6Å; K40-E44 WeakPolarHBondContact O-CG 3.28Å; K40-E44 PolarHBondContact O-N 3.13Å |
| 41 | K | 94.1 | Very high | 92 | Very high | 157 Ų | 157 | 106.4 Ų | 106.4 | 68% | 0.683 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.7 | -42.1 | 177.1 | -176.3 | -175.2 | 176.2 | -172.5 | 0 | 111.9 | V37 E38 H43 E44 G45 | V37-K41 PolarHBondContact O-N 2.79Å; E38-K41 WeakPolarHBondContact O-CB 3.15Å; E38-K41 PolarHBondContact O-N 3.45Å; E38-K41 VanDerWaalsContact O-N 3.1Å; K41-H43 VanDerWaalsContact C-N 3.34Å; K41-E44 PolarHBondContact O-N 2.9Å; K41-G45 PolarHBondContact O-N 2.66Å |
| 42 | E | 91.2 | Very high | 91.9 | Very high | 139 Ų | 139 | 104.6 Ų | 104.6 | 65% | 0.65 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.1 | -41 | 175 | -70.5 | -173.2 | 166.3 | 0 | 0 | 111.7 | E38 A39 G45 A46 | E38-E42 PolarHBondContact O-N 2.9Å; A39-E42 PolarHBondContact O-N 3.26Å; E42-G45 PolarHBondContact O-N 3.16Å; E42-A46 PolarHBondContact O-N 2.86Å |
| 43 | H | 91.1 | Very high | 91.9 | Very high | 127 Ų | 127 | 104.9 Ų | 104.9 | 59% | 0.588 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.3 | -48.1 | 175.3 | -179.6 | 66.9 | 0 | 0 | 0 | 112.1 | A39 K40 K41 G45 A46 V47 | A39-H43 WeakPolarHBondContact O-CB 3.17Å; A39-H43 PolarHBondContact O-N 3.2Å; K40-H43 WeakPolarHBondContact O-CB 3.31Å; K40-H43 PolarHBondContact O-N 3.14Å; K41-H43 VanDerWaalsContact C-N 3.34Å; H43-G45 VanDerWaalsContact C-N 3.27Å; H43-G45 PolarHBondContact O-N 3.08Å; H43-A46 PolarHBondContact O-N 2.68Å; H43-A46 VanDerWaalsContact O-N 3.13Å; H43-V47 WeakPolarHBondContact O-CG2 3.44Å; H43-V47 PolarHBondContact O-N 3.38Å |
| 44 | E | 89.5 | Confident | 91.9 | Very high | 106 Ų | 106 | 104 Ų | 104 | 50% | 0.495 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58 | -39.6 | 175.2 | -74.6 | 172.9 | -172 | 0 | 0 | 111.6 | K40 K41 V47 H48 | K40-E44 WeakPolarHBondContact CE-OE1 3.43Å; K40-E44 IonicContact NZ-OE1 2.6Å; K40-E44 WeakPolarHBondContact O-CG 3.28Å; K40-E44 PolarHBondContact O-N 3.13Å; K41-E44 PolarHBondContact O-N 2.9Å; E44-V47 PolarHBondContact O-N 2.85Å; E44-H48 PolarHBondContact O-N 2.99Å |
| 45 | G | 92.6 | Very high | 91.8 | Very high | 45 Ų | 45 | 101.3 Ų | 101.3 | 46% | 0.464 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | K41 E42 H43 L49 | K41-G45 PolarHBondContact O-N 2.66Å; E42-G45 PolarHBondContact O-N 3.16Å; H43-G45 VanDerWaalsContact C-N 3.27Å; H43-G45 PolarHBondContact O-N 3.08Å; G45-L49 PolarHBondContact O-N 3.16Å |
| 46 | A | 91 | Very high | 91.8 | Very high | 51 Ų | 51 | 101.6 Ų | 101.6 | 42% | 0.421 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.7 | -39.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E42 H43 L49 L50 | E42-A46 PolarHBondContact O-N 2.86Å; H43-A46 PolarHBondContact O-N 2.68Å; H43-A46 VanDerWaalsContact O-N 3.13Å; A46-L49 PolarHBondContact O-N 3.11Å; A46-L50 WeakPolarHBondContact O-CG 3.13Å; A46-L50 PolarHBondContact O-N 3.25Å; A46-L50 VanDerWaalsContact O-N 3.11Å |
| 47 | V | 92.2 | Very high | 92 | Very high | 53 Ų | 53 | 99.4 Ų | 99.4 | 32% | 0.321 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.3 | -48.2 | 175.8 | 172 | 0 | 0 | 0 | 0 | 110.5 | H43 E44 L49 L50 E51 | H43-V47 WeakPolarHBondContact O-CG2 3.44Å; H43-V47 PolarHBondContact O-N 3.38Å; E44-V47 PolarHBondContact O-N 2.85Å; V47-L49 PolarHBondContact O-N 3.42Å; V47-L50 WeakPolarHBondContact O-CB 3.41Å; V47-L50 PolarHBondContact O-N 3.07Å; V47-E51 HydrophobicContact CG1-CG 4.36Å; V47-E51 WeakPolarHBondContact O-CG 3.46Å; V47-E51 PolarHBondContact O-N 2.87Å |
| 48 | H | 91.3 | Very high | 91.9 | Very high | 107 Ų | 107 | 99.1 Ų | 99.1 | 50% | 0.495 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.9 | -33.9 | 178.8 | -166.7 | -48.3 | 0 | 0 | 0 | 112.5 | E44 N52 | E44-H48 PolarHBondContact O-N 2.99Å; H48-N52 PolarHBondContact CE1-ND2 3.4Å; H48-N52 PolarHBondContact ND1-ND2 2.99Å; H48-N52 VanDerWaalsContact ND1-ND2 3.13Å; H48-N52 WeakPolarHBondContact O-CB 3.43Å; H48-N52 VanDerWaalsContact O-CG 3.23Å; H48-N52 PolarHBondContact O-N 3.5Å; H48-N52 VanDerWaalsContact O-N 3.11Å; H48-N52 PolarHBondContact O-ND2 3.25Å |
| 49 | L | 93.6 | Very high | 91.9 | Very high | 125 Ų | 125 | 96.2 Ų | 96.2 | 65% | 0.654 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.1 | -40.2 | 175.4 | -172.1 | 70.2 | 0 | 0 | 0 | 111.8 | G45 A46 V47 H53 | G45-L49 PolarHBondContact O-N 3.16Å; A46-L49 PolarHBondContact O-N 3.11Å; V47-L49 PolarHBondContact O-N 3.42Å; L49-H53 PolarHBondContact O-N 3.26Å |
| 50 | L | 92.4 | Very high | 92.1 | Very high | 123 Ų | 123 | 99.6 Ų | 99.6 | 64% | 0.644 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.6 | -40.9 | 177.5 | -71.3 | 171.9 | 0 | 0 | 0 | 111.8 | A46 V47 H53 L54 | A46-L50 WeakPolarHBondContact O-CG 3.13Å; A46-L50 PolarHBondContact O-N 3.25Å; A46-L50 VanDerWaalsContact O-N 3.11Å; V47-L50 WeakPolarHBondContact O-CB 3.41Å; V47-L50 PolarHBondContact O-N 3.07Å; L50-H53 PolarHBondContact O-N 3.25Å; L50-L54 WeakPolarHBondContact O-CB 3.28Å; L50-L54 PolarHBondContact O-N 3.47Å |
| 51 | E | 90.3 | Very high | 92.3 | Very high | 105 Ų | 105 | 96.8 Ų | 96.8 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.4 | -48.9 | 174.3 | -71.5 | 174.8 | 157.5 | 0 | 0 | 111 | V47 H53 L54 D55 | V47-E51 HydrophobicContact CG1-CG 4.36Å; V47-E51 WeakPolarHBondContact O-CG 3.46Å; V47-E51 PolarHBondContact O-N 2.87Å; E51-H53 VanDerWaalsContact C-N 3.27Å; E51-H53 PolarHBondContact O-N 3.01Å; E51-L54 WeakPolarHBondContact O-CB 3.46Å; E51-L54 PolarHBondContact O-N 3.16Å; E51-L54 VanDerWaalsContact O-N 3.12Å; E51-D55 PolarHBondContact O-N 3.44Å |
| 52 | N | 93.4 | Very high | 92.3 | Very high | 84 Ų | 84 | 97.1 Ų | 97.1 | 45% | 0.449 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.3 | -38.8 | 175.6 | -74 | -22.8 | 0 | 0 | 0 | 112.5 | H48 S56 | H48-N52 PolarHBondContact CE1-ND2 3.4Å; H48-N52 PolarHBondContact ND1-ND2 2.99Å; H48-N52 VanDerWaalsContact ND1-ND2 3.13Å; H48-N52 WeakPolarHBondContact O-CB 3.43Å; H48-N52 VanDerWaalsContact O-CG 3.23Å; H48-N52 PolarHBondContact O-N 3.5Å; H48-N52 VanDerWaalsContact O-N 3.11Å; H48-N52 PolarHBondContact O-ND2 3.25Å; N52-S56 WeakPolarHBondContact O-CB 3.2Å; N52-S56 PolarHBondContact O-N 2.85Å; N52-S56 VanDerWaalsContact O-N 3.1Å |
| 53 | H | 93.1 | Very high | 92.5 | Very high | 116 Ų | 116 | 96.7 Ų | 96.7 | 54% | 0.537 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.9 | -39.2 | 178 | -173.4 | -95.8 | 0 | 0 | 0 | 111.8 | L49 L50 E51 S56 M57 | L49-H53 PolarHBondContact O-N 3.26Å; L50-H53 PolarHBondContact O-N 3.25Å; E51-H53 VanDerWaalsContact C-N 3.27Å; E51-H53 PolarHBondContact O-N 3.01Å; H53-S56 PolarHBondContact O-N 2.99Å; H53-M57 PolarHBondContact CE1-SD 3.36Å; H53-M57 WeakPolarHBondContact O-CG 3.34Å; H53-M57 PolarHBondContact O-N 3.07Å |
| 54 | L | 92.5 | Very high | 92.6 | Very high | 91 Ų | 91 | 96.1 Ų | 96.1 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 176.3 | -175.5 | 62.4 | 0 | 0 | 0 | 111.1 | L50 E51 S56 M57 Q58 | L50-L54 WeakPolarHBondContact O-CB 3.28Å; L50-L54 PolarHBondContact O-N 3.47Å; E51-L54 WeakPolarHBondContact O-CB 3.46Å; E51-L54 PolarHBondContact O-N 3.16Å; E51-L54 VanDerWaalsContact O-N 3.12Å; L54-S56 VanDerWaalsContact C-N 3.32Å; L54-S56 PolarHBondContact O-N 2.72Å; L54-M57 PolarHBondContact O-N 3.03Å; L54-Q58 WeakPolarHBondContact O-CG 3.44Å; L54-Q58 PolarHBondContact O-N 2.88Å |
| 55 | D | 92.6 | Very high | 92.7 | Very high | 96 Ų | 96 | 95.7 Ų | 95.7 | 51% | 0.513 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 176.1 | -75.3 | -14.8 | 0 | 0 | 0 | 111.7 | E51 M57 Q58 A59 | E51-D55 PolarHBondContact O-N 3.44Å; D55-M57 PolarHBondContact O-N 3.11Å; D55-Q58 PolarHBondContact O-N 3.1Å; D55-A59 WeakPolarHBondContact O-CB 3.47Å; D55-A59 PolarHBondContact O-N 3.14Å |
| 56 | S | 93.3 | Very high | 92.9 | Very high | 57 Ų | 57 | 99 Ų | 99 | 40% | 0.399 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 175.3 | -173.4 | 0 | 0 | 0 | 0 | 112.2 | N52 H53 L54 A59 K60 | N52-S56 WeakPolarHBondContact O-CB 3.2Å; N52-S56 PolarHBondContact O-N 2.85Å; N52-S56 VanDerWaalsContact O-N 3.1Å; H53-S56 PolarHBondContact O-N 2.99Å; L54-S56 VanDerWaalsContact C-N 3.32Å; L54-S56 PolarHBondContact O-N 2.72Å; S56-A59 PolarHBondContact O-N 2.82Å; S56-K60 WeakPolarHBondContact O-CG 3.37Å; S56-K60 PolarHBondContact O-N 3.43Å; S56-K60 VanDerWaalsContact O-N 3.08Å |
| 57 | M | 92.4 | Very high | 93 | Very high | 96 Ų | 96 | 103.6 Ų | 103.6 | 47% | 0.473 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65 | -44.3 | 176 | -79.7 | -176.3 | 47 | 0 | 0 | 111.9 | H53 L54 D55 A59 K60 V61 | H53-M57 PolarHBondContact CE1-SD 3.36Å; H53-M57 WeakPolarHBondContact O-CG 3.34Å; H53-M57 PolarHBondContact O-N 3.07Å; L54-M57 PolarHBondContact O-N 3.03Å; D55-M57 PolarHBondContact O-N 3.11Å; M57-A59 VanDerWaalsContact C-N 3.31Å; M57-A59 PolarHBondContact O-N 3.28Å; M57-K60 PolarHBondContact O-N 2.76Å; M57-V61 WeakPolarHBondContact O-CG2 3.44Å; M57-V61 PolarHBondContact O-N 3.31Å |
| 58 | Q | 91.3 | Very high | 93 | Very high | 99 Ų | 99 | 104.8 Ų | 104.8 | 46% | 0.463 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62 | -40 | 177.4 | -73.3 | -177.4 | 6.3 | 0 | 0 | 111.7 | L54 D55 V61 R62 | L54-Q58 WeakPolarHBondContact O-CG 3.44Å; L54-Q58 PolarHBondContact O-N 2.88Å; D55-Q58 PolarHBondContact O-N 3.1Å; Q58-V61 PolarHBondContact O-N 2.87Å; Q58-R62 WeakPolarHBondContact O-CB 3.48Å; Q58-R62 PolarHBondContact O-N 2.76Å |
| 59 | A | 94 | Very high | 93 | Very high | 54 Ų | 54 | 105.9 Ų | 105.9 | 45% | 0.446 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | D55 S56 M57 V61 R62 E63 | D55-A59 WeakPolarHBondContact O-CB 3.47Å; D55-A59 PolarHBondContact O-N 3.14Å; S56-A59 PolarHBondContact O-N 2.82Å; M57-A59 VanDerWaalsContact C-N 3.31Å; M57-A59 PolarHBondContact O-N 3.28Å; A59-V61 PolarHBondContact O-N 2.97Å; A59-R62 PolarHBondContact O-N 3.46Å; A59-E63 PolarHBondContact O-N 2.79Å |
| 60 | K | 93.1 | Very high | 93 | Very high | 127 Ų | 127 | 102.5 Ų | 102.5 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.7 | -39.6 | 176.4 | -75.3 | 178.3 | -179.9 | 174.7 | 0 | 112.9 | S56 M57 E63 L64 | S56-K60 WeakPolarHBondContact O-CG 3.37Å; S56-K60 PolarHBondContact O-N 3.43Å; S56-K60 VanDerWaalsContact O-N 3.08Å; M57-K60 PolarHBondContact O-N 2.76Å; K60-E63 PolarHBondContact O-N 3.05Å; K60-L64 WeakPolarHBondContact O-CB 3.23Å; K60-L64 WeakPolarHBondContact O-CG 3.24Å; K60-L64 PolarHBondContact O-N 3.31Å |
| 61 | V | 93.8 | Very high | 93 | Very high | 74 Ų | 74 | 102.9 Ų | 102.9 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 175.5 | 170.5 | 0 | 0 | 0 | 0 | 110 | M57 Q58 A59 E63 L64 E65 | M57-V61 WeakPolarHBondContact O-CG2 3.44Å; M57-V61 PolarHBondContact O-N 3.31Å; Q58-V61 PolarHBondContact O-N 2.87Å; A59-V61 PolarHBondContact O-N 2.97Å; V61-E63 VanDerWaalsContact C-N 3.31Å; V61-E63 PolarHBondContact O-N 2.94Å; V61-L64 PolarHBondContact O-N 3.43Å; V61-E65 HydrophobicContact CG1-CG 4.35Å; V61-E65 WeakPolarHBondContact O-CG 3.23Å; V61-E65 PolarHBondContact O-N 3.32Å |
| 62 | R | 94.1 | Very high | 93.1 | Very high | 165 Ų | 165 | 101.4 Ų | 101.4 | 62% | 0.623 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.1 | -41.8 | 177.7 | -170.1 | -178.6 | -65.4 | 155 | 2.2 | 112.2 | Q58 A59 E65 E66 | Q58-R62 WeakPolarHBondContact O-CB 3.48Å; Q58-R62 PolarHBondContact O-N 2.76Å; A59-R62 PolarHBondContact O-N 3.46Å; R62-E65 PolarHBondContact O-N 3.04Å; R62-E66 PolarHBondContact O-N 2.79Å |
| 63 | E | 95.1 | Very high | 93.1 | Very high | 129 Ų | 129 | 104 Ų | 104 | 60% | 0.603 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.7 | -45.6 | 175.6 | -171.4 | -169.2 | 161 | 0 | 0 | 111.8 | A59 K60 V61 E65 E66 K67 | A59-E63 PolarHBondContact O-N 2.79Å; K60-E63 PolarHBondContact O-N 3.05Å; V61-E63 VanDerWaalsContact C-N 3.31Å; V61-E63 PolarHBondContact O-N 2.94Å; E63-E65 VanDerWaalsContact C-N 3.35Å; E63-E65 PolarHBondContact O-N 2.93Å; E63-E66 PolarHBondContact O-N 2.82Å; E63-K67 WeakPolarHBondContact O-CB 3.44Å; E63-K67 PolarHBondContact O-N 3.38Å |
| 64 | L | 93.3 | Very high | 93.1 | Very high | 115 Ų | 115 | 105 Ų | 105 | 60% | 0.602 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.5 | -39.2 | 178.1 | -75.8 | 173.1 | 0 | 0 | 0 | 112.3 | K60 V61 K67 C68 | K60-L64 WeakPolarHBondContact O-CB 3.23Å; K60-L64 WeakPolarHBondContact O-CG 3.24Å; K60-L64 PolarHBondContact O-N 3.31Å; V61-L64 PolarHBondContact O-N 3.43Å; L64-K67 PolarHBondContact O-N 2.6Å; L64-C68 WeakPolarHBondContact O-CB 3.49Å; L64-C68 PolarHBondContact O-N 2.65Å |
| 65 | E | 92.3 | Very high | 93 | Very high | 97 Ų | 97 | 107.5 Ų | 107.5 | 45% | 0.453 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 174.2 | -75 | -179.5 | -179.1 | 0 | 0 | 111.9 | V61 R62 E63 K67 C68 R69 | V61-E65 HydrophobicContact CG1-CG 4.35Å; V61-E65 WeakPolarHBondContact O-CG 3.23Å; V61-E65 PolarHBondContact O-N 3.32Å; R62-E65 PolarHBondContact O-N 3.04Å; E63-E65 VanDerWaalsContact C-N 3.35Å; E63-E65 PolarHBondContact O-N 2.93Å; E65-K67 VanDerWaalsContact C-N 3.31Å; E65-K67 PolarHBondContact O-N 3.14Å; E65-C68 PolarHBondContact O-N 3.13Å; E65-R69 WeakPolarHBondContact O-CB 3.31Å; E65-R69 WeakPolarHBondContact O-CG 3.33Å; E65-R69 PolarHBondContact O-N 3.03Å; E65-R69 IonicContact OE2-NH1 3.84Å; E65-R69 PolarHBondContact OE2-NH1 2.85Å |
| 66 | E | 94.9 | Very high | 93 | Very high | 116 Ų | 116 | 106.7 Ų | 106.7 | 54% | 0.542 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.1 | -40 | 176.6 | -173.2 | 173.6 | -175.3 | 0 | 0 | 111.7 | R62 E63 R69 S70 | R62-E66 PolarHBondContact O-N 2.79Å; E63-E66 PolarHBondContact O-N 2.82Å; E66-R69 PolarHBondContact O-N 3.14Å; E66-S70 WeakPolarHBondContact O-CB 3.43Å; E66-S70 PolarHBondContact O-N 3.27Å; E66-S70 PolarHBondContact O-OG 2.88Å |
| 67 | K | 93.9 | Very high | 92.9 | Very high | 147 Ų | 147 | 109.6 Ų | 109.6 | 64% | 0.639 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64 | -40.9 | 174.4 | -165.6 | 172.3 | -173.7 | 170.4 | 0 | 112.1 | E63 L64 E65 S70 Q71 | E63-K67 WeakPolarHBondContact O-CB 3.44Å; E63-K67 PolarHBondContact O-N 3.38Å; L64-K67 PolarHBondContact O-N 2.6Å; E65-K67 VanDerWaalsContact C-N 3.31Å; E65-K67 PolarHBondContact O-N 3.14Å; K67-S70 PolarHBondContact O-N 3.05Å; K67-Q71 WeakPolarHBondContact O-CB 3.49Å; K67-Q71 PolarHBondContact O-N 3.07Å |
| 68 | C | 91.8 | Very high | 92.7 | Very high | 78 Ų | 78 | 109.1 Ų | 109.1 | 53% | 0.527 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 176 | -170.8 | 0 | 0 | 0 | 0 | 111.8 | L64 E65 Q71 S72 | L64-C68 WeakPolarHBondContact O-CB 3.49Å; L64-C68 PolarHBondContact O-N 2.65Å; E65-C68 PolarHBondContact O-N 3.13Å; C68-Q71 PolarHBondContact O-N 3.02Å; C68-S72 WeakPolarHBondContact O-CB 3.26Å; C68-S72 PolarHBondContact O-N 2.99Å |
| 69 | R | 92.8 | Very high | 92.6 | Very high | 130 Ų | 130 | 106.5 Ų | 106.5 | 49% | 0.491 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -57.4 | -49.8 | 173.5 | -76.3 | -172.6 | -71.1 | -99.2 | -0.9 | 111 | E65 E66 Q71 S72 E73 | E65-R69 WeakPolarHBondContact O-CB 3.31Å; E65-R69 WeakPolarHBondContact O-CG 3.33Å; E65-R69 PolarHBondContact O-N 3.03Å; E65-R69 IonicContact OE2-NH1 3.84Å; E65-R69 PolarHBondContact OE2-NH1 2.85Å; E66-R69 PolarHBondContact O-N 3.14Å; R69-Q71 VanDerWaalsContact C-N 3.34Å; R69-Q71 PolarHBondContact O-N 3.16Å; R69-S72 WeakPolarHBondContact O-CB 3.29Å; R69-S72 PolarHBondContact O-N 2.91Å; R69-S72 VanDerWaalsContact O-N 3.17Å; R69-E73 WeakPolarHBondContact O-CG 3.22Å; R69-E73 PolarHBondContact O-N 3.04Å |
| 70 | S | 92.9 | Very high | 92.3 | Very high | 54 Ų | 54 | 110.5 Ų | 110.5 | 38% | 0.378 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.7 | -43.1 | 178 | -58.1 | 0 | 0 | 0 | 0 | 112.3 | E66 K67 S72 E73 Q74 | E66-S70 WeakPolarHBondContact O-CB 3.43Å; E66-S70 PolarHBondContact O-N 3.27Å; E66-S70 PolarHBondContact O-OG 2.88Å; K67-S70 PolarHBondContact O-N 3.05Å; S70-S72 PolarHBondContact O-N 3.43Å; S70-E73 PolarHBondContact O-N 3.07Å; S70-Q74 WeakPolarHBondContact O-CG 3.42Å; S70-Q74 PolarHBondContact O-N 3.16Å |
| 71 | Q | 91.6 | Very high | 92.1 | Very high | 131 Ų | 131 | 108.4 Ų | 108.4 | 61% | 0.612 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.6 | -38.9 | 177.2 | -169.5 | 178.9 | 25 | 0 | 0 | 112.2 | K67 C68 R69 E73 Q74 F75 | K67-Q71 WeakPolarHBondContact O-CB 3.49Å; K67-Q71 PolarHBondContact O-N 3.07Å; C68-Q71 PolarHBondContact O-N 3.02Å; R69-Q71 VanDerWaalsContact C-N 3.34Å; R69-Q71 PolarHBondContact O-N 3.16Å; Q71-E73 VanDerWaalsContact C-N 3.34Å; Q71-Q74 PolarHBondContact O-N 3.16Å; Q71-F75 PolarHBondContact O-N 2.96Å |
| 72 | S | 93 | Very high | 91.7 | Very high | 74 Ų | 74 | 110.3 Ų | 110.3 | 52% | 0.517 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64 | -39.9 | 175.5 | -178.5 | 0 | 0 | 0 | 0 | 111.7 | C68 R69 S70 F75 N76 | C68-S72 WeakPolarHBondContact O-CB 3.26Å; C68-S72 PolarHBondContact O-N 2.99Å; R69-S72 WeakPolarHBondContact O-CB 3.29Å; R69-S72 PolarHBondContact O-N 2.91Å; R69-S72 VanDerWaalsContact O-N 3.17Å; S70-S72 PolarHBondContact O-N 3.43Å; S72-F75 PolarHBondContact O-N 3.06Å; S72-N76 WeakPolarHBondContact O-CB 2.93Å; S72-N76 PolarHBondContact O-N 3.42Å |
| 73 | E | 93.1 | Very high | 91.3 | Very high | 138 Ų | 138 | 107.8 Ų | 107.8 | 65% | 0.645 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.9 | -42.6 | 174.1 | -71.9 | 176.7 | -179 | 0 | 0 | 112 | R69 S70 Q71 F75 N76 L77 | R69-E73 WeakPolarHBondContact O-CG 3.22Å; R69-E73 PolarHBondContact O-N 3.04Å; S70-E73 PolarHBondContact O-N 3.07Å; Q71-E73 VanDerWaalsContact C-N 3.34Å; E73-F75 PolarHBondContact O-N 3.19Å; E73-N76 WeakPolarHBondContact O-CB 3.35Å; E73-N76 PolarHBondContact O-N 2.76Å; E73-L77 PolarHBondContact O-N 2.87Å |
| 74 | Q | 92.6 | Very high | 90.7 | Very high | 138 Ų | 138 | 108.6 Ų | 108.6 | 65% | 0.645 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.9 | -44 | 174.4 | -72.4 | -174.8 | -19.6 | 0 | 0 | 112.1 | S70 Q71 N76 L77 L78 | S70-Q74 WeakPolarHBondContact O-CG 3.42Å; S70-Q74 PolarHBondContact O-N 3.16Å; Q71-Q74 PolarHBondContact O-N 3.16Å; Q74-N76 VanDerWaalsContact C-N 3.32Å; Q74-N76 PolarHBondContact O-N 2.79Å; Q74-L77 PolarHBondContact O-N 2.52Å; Q74-L78 PolarHBondContact O-N 3.49Å |
| 75 | F | 91.6 | Very high | 90 | Very high | 143 Ų | 143 | 107.7 Ų | 107.7 | 63% | 0.627 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.3 | -37.5 | 176.2 | -175.9 | -95.7 | 0 | 0 | 0 | 112.2 | Q71 S72 E73 L78 S79 | Q71-F75 PolarHBondContact O-N 2.96Å; S72-F75 PolarHBondContact O-N 3.06Å; E73-F75 PolarHBondContact O-N 3.19Å; F75-L78 PolarHBondContact O-N 3.08Å; F75-S79 WeakPolarHBondContact CE1-OG 2.99Å; F75-S79 WeakPolarHBondContact O-CB 3.39Å; F75-S79 PolarHBondContact O-N 2.95Å; F75-S79 PolarHBondContact O-OG 2.89Å |
| 76 | N | 92.1 | Very high | 89.3 | Confident | 79 Ų | 79 | 111.7 Ų | 111.7 | 42% | 0.422 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64 | -43.4 | 175.9 | -166.7 | -67 | 0 | 0 | 0 | 111.4 | S72 E73 Q74 S79 K80 | S72-N76 WeakPolarHBondContact O-CB 2.93Å; S72-N76 PolarHBondContact O-N 3.42Å; E73-N76 WeakPolarHBondContact O-CB 3.35Å; E73-N76 PolarHBondContact O-N 2.76Å; Q74-N76 VanDerWaalsContact C-N 3.32Å; Q74-N76 PolarHBondContact O-N 2.79Å; N76-S79 PolarHBondContact O-N 3.38Å; N76-K80 WeakPolarHBondContact O-CG 3.43Å; N76-K80 PolarHBondContact O-N 2.86Å; N76-K80 WeakPolarHBondContact OD1-CE 3.48Å; N76-K80 PolarHBondContact OD1-NZ 3.35Å; N76-K80 VanDerWaalsContact OD1-NZ 3.15Å |
| 77 | L | 91.6 | Very high | 88.4 | Confident | 118 Ų | 118 | 112.5 Ų | 112.5 | 62% | 0.618 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.4 | -47 | 177 | -171.9 | 65 | 0 | 0 | 0 | 111.3 | E73 Q74 S79 K80 E81 | E73-L77 PolarHBondContact O-N 2.87Å; Q74-L77 PolarHBondContact O-N 2.52Å; L77-S79 VanDerWaalsContact C-N 3.29Å; L77-S79 PolarHBondContact O-N 2.74Å; L77-K80 PolarHBondContact O-N 2.9Å; L77-E81 PolarHBondContact O-N 3.48Å |
| 78 | L | 88.9 | Confident | 87 | Confident | 85 Ų | 85 | 112 Ų | 112 | 45% | 0.445 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.3 | -38.1 | 177.3 | -170.5 | 66.8 | 0 | 0 | 0 | 111.9 | Q74 F75 E81 L82 L116 | Q74-L78 PolarHBondContact O-N 3.49Å; F75-L78 PolarHBondContact O-N 3.08Å; L78-E81 PolarHBondContact O-N 2.89Å; L78-L82 WeakPolarHBondContact O-CB 3.47Å; L78-L82 PolarHBondContact O-N 2.99Å; L78-L116 HydrophobicContact CD1-CD2 3.6Å |
| 79 | S | 87.7 | Confident | 85.4 | Confident | 44 Ų | 44 | 111.9 Ų | 111.9 | 31% | 0.308 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.5 | -43 | 175.9 | -63.1 | 0 | 0 | 0 | 0 | 111.9 | F75 N76 L77 E81 L82 E83 | F75-S79 WeakPolarHBondContact CE1-OG 2.99Å; F75-S79 WeakPolarHBondContact O-CB 3.39Å; F75-S79 PolarHBondContact O-N 2.95Å; F75-S79 PolarHBondContact O-OG 2.89Å; N76-S79 PolarHBondContact O-N 3.38Å; L77-S79 VanDerWaalsContact C-N 3.29Å; L77-S79 PolarHBondContact O-N 2.74Å; S79-E81 VanDerWaalsContact C-N 3.32Å; S79-E81 PolarHBondContact O-N 3.12Å; S79-L82 PolarHBondContact O-N 3.36Å; S79-E83 PolarHBondContact O-N 2.53Å |
| 80 | K | 88.9 | Confident | 83.4 | Confident | 138 Ų | 138 | 109 Ų | 109 | 60% | 0.6 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.3 | -38.7 | 174.9 | -74.8 | 172 | 176.2 | 163.1 | 0 | 112 | N76 L77 E83 K84 | N76-K80 WeakPolarHBondContact O-CG 3.43Å; N76-K80 PolarHBondContact O-N 2.86Å; N76-K80 WeakPolarHBondContact OD1-CE 3.48Å; N76-K80 PolarHBondContact OD1-NZ 3.35Å; N76-K80 VanDerWaalsContact OD1-NZ 3.15Å; L77-K80 PolarHBondContact O-N 2.9Å; K80-E83 PolarHBondContact O-N 2.75Å; K80-K84 PolarHBondContact O-N 3.22Å; K80-K84 VanDerWaalsContact O-N 3.08Å |
| 81 | E | 88.9 | Confident | 81.2 | Confident | 84 Ų | 84 | 115.2 Ų | 115.2 | 39% | 0.393 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.1 | -42.1 | 176.8 | -167.2 | 165.7 | -155.5 | 0 | 0 | 111.5 | L77 L78 S79 E83 K84 F85 | L77-E81 PolarHBondContact O-N 3.48Å; L78-E81 PolarHBondContact O-N 2.89Å; S79-E81 VanDerWaalsContact C-N 3.32Å; S79-E81 PolarHBondContact O-N 3.12Å; E81-E83 PolarHBondContact O-N 2.99Å; E81-K84 WeakPolarHBondContact O-CB 3.49Å; E81-K84 PolarHBondContact O-N 2.88Å; E81-F85 HydrophobicContact CG-CD2 4.32Å; E81-F85 HydrophobicContact CG-CE2 3.96Å; E81-F85 WeakPolarHBondContact O-CD2 3.37Å; E81-F85 PolarHBondContact O-N 2.98Å |
| 82 | L | 85.8 | Confident | 79 | Confident | 113 Ų | 113 | 117.9 Ų | 117.9 | 59% | 0.592 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.3 | -41.3 | 174.3 | -170.6 | 69.8 | 0 | 0 | 0 | 112.4 | L78 S79 K84 F85 R86 | L78-L82 WeakPolarHBondContact O-CB 3.47Å; L78-L82 PolarHBondContact O-N 2.99Å; S79-L82 PolarHBondContact O-N 3.36Å; L82-K84 VanDerWaalsContact C-N 3.3Å; L82-K84 PolarHBondContact O-N 3.35Å; L82-F85 WeakPolarHBondContact O-CB 2.92Å; L82-F85 PolarHBondContact O-N 3.22Å; L82-R86 WeakPolarHBondContact O-CG 3.43Å; L82-R86 PolarHBondContact O-N 2.88Å |
| 83 | E | 84.3 | Confident | 76.3 | Confident | 112 Ų | 112 | 122.6 Ų | 122.6 | 52% | 0.523 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -61.3 | -40.5 | 175.5 | -157.6 | 87.3 | -143.6 | 0 | 0 | 111 | S79 K80 E81 F85 R86 L87 | S79-E83 PolarHBondContact O-N 2.53Å; K80-E83 PolarHBondContact O-N 2.75Å; E81-E83 PolarHBondContact O-N 2.99Å; E83-F85 PolarHBondContact O-N 2.73Å; E83-R86 PolarHBondContact O-N 2.83Å; E83-L87 WeakPolarHBondContact O-CG 3.49Å; E83-L87 PolarHBondContact O-N 2.79Å |
| 84 | K | 83.3 | Confident | 74 | Confident | 147 Ų | 147 | 123.4 Ų | 123.4 | 64% | 0.639 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -62.6 | -40.3 | 175.5 | -169.9 | -177.6 | 177.7 | -174.7 | 0 | 111.9 | K80 E81 L82 L87 Q88 | K80-K84 PolarHBondContact O-N 3.22Å; K80-K84 VanDerWaalsContact O-N 3.08Å; E81-K84 WeakPolarHBondContact O-CB 3.49Å; E81-K84 PolarHBondContact O-N 2.88Å; L82-K84 VanDerWaalsContact C-N 3.3Å; L82-K84 PolarHBondContact O-N 3.35Å; K84-L87 PolarHBondContact O-N 2.89Å; K84-Q88 WeakPolarHBondContact O-CB 3.18Å; K84-Q88 PolarHBondContact O-N 3.4Å; K84-Q88 VanDerWaalsContact O-N 3.09Å |
| 85 | F | 78.2 | Confident | 71.5 | Confident | 96 Ų | 96 | 124.8 Ų | 124.8 | 42% | 0.421 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -61.9 | -42 | 172.8 | -84.6 | -70.3 | 0 | 0 | 0 | 112.6 | E81 L82 E83 Q88 A89 S112 | E81-F85 HydrophobicContact CG-CD2 4.32Å; E81-F85 HydrophobicContact CG-CE2 3.96Å; E81-F85 WeakPolarHBondContact O-CD2 3.37Å; E81-F85 PolarHBondContact O-N 2.98Å; L82-F85 WeakPolarHBondContact O-CB 2.92Å; L82-F85 PolarHBondContact O-N 3.22Å; E83-F85 PolarHBondContact O-N 2.73Å; F85-Q88 PolarHBondContact O-N 2.8Å; F85-A89 PolarHBondContact O-N 2.86Å; F85-S112 VanDerWaalsContact CZ-OG 3.22Å; F85-S112 WeakPolarHBondContact CZ-OG 3.49Å |
| 86 | R | 78.6 | Confident | 68.5 | Low | 181 Ų | 181 | 123.1 Ų | 123.1 | 68% | 0.683 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.7 | -41.5 | 178.2 | -69 | -175.3 | 72.7 | 120.4 | 4.6 | 112.3 | L82 E83 Q88 A89 G90 | L82-R86 WeakPolarHBondContact O-CG 3.43Å; L82-R86 PolarHBondContact O-N 2.88Å; E83-R86 PolarHBondContact O-N 2.83Å; R86-Q88 VanDerWaalsContact C-N 3.28Å; R86-Q88 PolarHBondContact O-N 2.91Å; R86-A89 PolarHBondContact O-N 2.76Å; R86-G90 PolarHBondContact O-N 3.18Å; R86-G90 VanDerWaalsContact O-N 3.08Å |
| 87 | L | 74.1 | Confident | 65.4 | Low | 133 Ų | 133 | 126.1 Ų | 126.1 | 70% | 0.696 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -65.9 | -31.8 | 176.8 | -72.3 | 168 | 0 | 0 | 0 | 112.4 | E83 K84 | E83-L87 WeakPolarHBondContact O-CG 3.49Å; E83-L87 PolarHBondContact O-N 2.79Å; K84-L87 PolarHBondContact O-N 2.89Å |
| 88 | Q | 64.5 | Low | 62.4 | Low | 136 Ų | 136 | 129 Ų | 129 | 64% | 0.636 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -75.9 | -30.5 | 175.7 | -164.3 | 162.5 | -2.9 | 0 | 0 | 112.7 | K84 F85 R86 | K84-Q88 WeakPolarHBondContact O-CB 3.18Å; K84-Q88 PolarHBondContact O-N 3.4Å; K84-Q88 VanDerWaalsContact O-N 3.09Å; F85-Q88 PolarHBondContact O-N 2.8Å; R86-Q88 VanDerWaalsContact C-N 3.28Å; R86-Q88 PolarHBondContact O-N 2.91Å |
| 89 | A | 59 | Low | 60.4 | Low | 75 Ų | 75 | 129.6 Ų | 129.6 | 62% | 0.62 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -77.4 | -25.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F85 R86 K91 | F85-A89 PolarHBondContact O-N 2.86Å; R86-A89 PolarHBondContact O-N 2.76Å; A89-K91 PolarHBondContact O-N 3.44Å |
| 90 | G | 50.3 | Low | 57.8 | Low | 71 Ų | 71 | 135 Ų | 135 | 73% | 0.732 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | 3.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | R86 | R86-G90 PolarHBondContact O-N 3.18Å; R86-G90 VanDerWaalsContact O-N 3.08Å |
| 91 | K | 46.9 | Very low | 54.7 | Low | 184 Ų | 184 | 135.3 Ų | 135.3 | 80% | 0.8 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | 31.4 | -179.1 | -157.5 | -176.8 | 174.2 | 177.3 | 0 | 113.2 | A89 | A89-K91 PolarHBondContact O-N 3.44Š|
| 92 | F | 45.8 | Very low | 52.1 | Low | 187 Ų | 187 | 139.6 Ų | 139.6 | 82% | 0.82 | 74% | 0.736 | S | S | * | * | trans | -128.7 | 94.9 | 169.1 | -87.6 | -86 | 0 | 0 | 0 | 108.7 | ||||
| 93 | D | 35.9 | Very low | 49.4 | Very low | 173 Ų | 173 | 139.5 Ų | 139.5 | 93% | 0.925 | 75% | 0.745 | S | S | * | * | trans | -103.5 | 130 | 167.8 | -129.6 | -10.6 | 0 | 0 | 0 | 108.7 | ||||
| 94 | I | 46.2 | Very low | 46.7 | Very low | 154 Ų | 154 | 143.2 Ų | 143.2 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | -94.7 | 113 | -164.7 | -67.6 | 165.3 | 0 | 0 | 0 | 109 | ||||
| 95 | L | 38.3 | Very low | 44.2 | Very low | 168 Ų | 168 | 141.5 Ų | 141.5 | 88% | 0.88 | 77% | 0.769 | S | S | * | * | trans | -155.4 | 127.8 | 155.9 | -86.9 | 178.5 | 0 | 0 | 0 | 111.6 | ||||
| 96 | S | 28.9 | Very low | 42.3 | Very low | 107 Ų | 107 | 142.9 Ų | 142.9 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | 107.4 | 99.2 | 166.5 | -48.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 97 | T | 28.1 | Very low | 39.9 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | 91 | 122.3 | 83.3 | -49.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 98 | E | 28.1 | Very low | 37.9 | Very low | 178 Ų | 178 | 135.8 Ų | 135.8 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -47.3 | -179.6 | -178.6 | -79.4 | -149.5 | 158.2 | 0 | 0 | 119.3 | ||||
| 99 | P | 46.5 | Very low | 36.8 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 63% | 0.63 | 80% | 0.796 | S | S | * | * | cis | -135.9 | 170.9 | -37 | 35.4 | -16.7 | 0 | 0 | 0 | 114.9 | ||||
| 100 | L | 32.5 | Very low | 35.9 | Very low | 158 Ų | 158 | 137.2 Ų | 137.2 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | 61.5 | 116.3 | 160.1 | -68.3 | 165.3 | 0 | 0 | 0 | 121.2 | ||||
| 101 | T | 25.6 | Very low | 35.5 | Very low | 144 Ų | 144 | 142.6 Ų | 142.6 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | 165.6 | 155.4 | 113.7 | 40.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 102 | L | 33.9 | Very low | 35.2 | Very low | 174 Ų | 174 | 136 Ų | 136 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | trans | -57.3 | 142 | -174.2 | -80.7 | 101.5 | 0 | 0 | 0 | 115.8 | ||||
| 103 | S | 29.4 | Very low | 34.9 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | 137.3 | 142.4 | 125.3 | -159.7 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 104 | E | 25.8 | Very low | 35.3 | Very low | 190 Ų | 190 | 128.2 Ų | 128.2 | 89% | 0.888 | 75% | 0.749 | S | S | * | * | trans | 84.7 | 131.3 | 167.8 | -58.7 | -159.6 | 138.5 | 0 | 0 | 120.8 | ||||
| 105 | S | 32.6 | Very low | 35.2 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | trans | -58.1 | 155.5 | -178.3 | -153.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 106 | P | 37.8 | Very low | 35.5 | Very low | 125 Ų | 125 | 124 Ų | 124 | 81% | 0.812 | 72% | 0.724 | S | S | * | * | -149.1 | 146.9 | 68.3 | 33.9 | -11.3 | 0 | 0 | 0 | 118.3 | |||||
| 107 | G | 27.5 | Very low | 36.2 | Very low | 73 Ų | 73 | 125.2 Ų | 125.2 | 75% | 0.753 | 72% | 0.721 | S | S | * | * | trans | 72.7 | 93.4 | 138.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 108 | S | 33.1 | Very low | 37 | Very low | 91 Ų | 91 | 124.9 Ų | 124.9 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | trans | -69.5 | 142.4 | 165.7 | 62.4 | 0 | 0 | 0 | 0 | 112.1 | N110 | S108-N110 VanDerWaalsContact C-N 3.26Å; S108-N110 PolarHBondContact O-N 3.19Å | ||
| 109 | P | 41.3 | Very low | 37.5 | Very low | 123 Ų | 123 | 119.6 Ų | 119.6 | 80% | 0.799 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -85.7 | 63.2 | -177.7 | 36.1 | -33.8 | 0 | 0 | 0 | 110.4 | ||
| 110 | N | 39 | Very low | 37.2 | Very low | 119 Ų | 119 | 122.3 Ų | 122.3 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | trans | -109.7 | 10 | 179.6 | -87.1 | -38.9 | 0 | 0 | 0 | 114.4 | S108 | S108-N110 VanDerWaalsContact C-N 3.26Å; S108-N110 PolarHBondContact O-N 3.19Å | ||
| 111 | K | 42.8 | Very low | 37.3 | Very low | 184 Ų | 184 | 119 Ų | 119 | 80% | 0.8 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -91.5 | -8.6 | 177.6 | -69.5 | -171.7 | 178.4 | -178.6 | 0 | 114.9 | S114 | K111-S114 PolarHBondContact O-OG 2.95Š|
| 112 | S | 40.6 | Very low | 37.8 | Very low | 46 Ų | 46 | 116.1 Ų | 116.1 | 32% | 0.322 | 70% | 0.702 | S | S | . | * | S | Bend | trans | -91.6 | -15.8 | -175.2 | -162.4 | 0 | 0 | 0 | 0 | 115.3 | F85 | F85-S112 VanDerWaalsContact CZ-OG 3.22Å; F85-S112 WeakPolarHBondContact CZ-OG 3.49Å |
| 113 | L | 38.7 | Very low | 37.8 | Very low | 121 Ų | 121 | 114.1 Ų | 114.1 | 63% | 0.634 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -89.9 | -21.2 | -178.5 | -75.5 | 169.5 | 0 | 0 | 0 | 113.2 | Q115 | L113-Q115 VanDerWaalsContact C-N 3.34Å |
| 114 | S | 44.8 | Very low | 38.1 | Very low | 74 Ų | 74 | 116.1 Ų | 116.1 | 52% | 0.517 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -76.6 | -19.3 | 176 | 52.1 | 0 | 0 | 0 | 0 | 113.5 | K111 | K111-S114 PolarHBondContact O-OG 2.95Å |
| 115 | Q | 44.8 | Very low | 38.2 | Very low | 158 Ų | 158 | 116.4 Ų | 116.4 | 74% | 0.738 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -83.6 | -26.1 | 178.6 | -125.7 | 161.4 | -33.3 | 0 | 0 | 112.9 | L113 | L113-Q115 VanDerWaalsContact C-N 3.34Å |
| 116 | L | 43.7 | Very low | 38.2 | Very low | 77 Ų | 77 | 120.8 Ų | 120.8 | 40% | 0.403 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -75.4 | -26.9 | 178.2 | -89.1 | 161.4 | 0 | 0 | 0 | 113.8 | L78 | L78-L116 HydrophobicContact CD1-CD2 3.6Å |
| 117 | L | 42.8 | Very low | 37.6 | Very low | 131 Ų | 131 | 118.3 Ų | 118.3 | 69% | 0.686 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -83.4 | -11.8 | -178.7 | -75.2 | 166.6 | 0 | 0 | 0 | 114 | ||
| 118 | N | 45.9 | Very low | 37.6 | Very low | 137 Ų | 137 | 120.1 Ų | 120.1 | 73% | 0.733 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -85.3 | -5.5 | 177.4 | -78.6 | -16.1 | 0 | 0 | 0 | 114 | ||
| 119 | G | 38.5 | Very low | 37.3 | Very low | 66 Ų | 66 | 124.9 Ų | 124.9 | 68% | 0.68 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -87.4 | 0.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 120 | L | 40.1 | Very low | 36.7 | Very low | 155 Ų | 155 | 122.5 Ų | 122.5 | 81% | 0.812 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -100.1 | 7.6 | -175.5 | -73.9 | 170.9 | 0 | 0 | 0 | 114.6 | ||
| 121 | A | 35.6 | Very low | 36.8 | Very low | 88 Ų | 88 | 122.6 Ų | 122.6 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | trans | -94.8 | 110.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 122 | A | 36 | Very low | 36.1 | Very low | 84 Ų | 84 | 119.7 Ų | 119.7 | 69% | 0.694 | 72% | 0.719 | S | S | * | * | trans | -62.4 | 146.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | I124 | A122-I124 PolarHBondContact O-N 2.88Š| ||
| 123 | P | 33.7 | Very low | 35.5 | Very low | 131 Ų | 131 | 122.2 Ų | 122.2 | 85% | 0.851 | 74% | 0.737 | S | S | * | * | trans | -71.9 | 120.2 | 174.6 | 12.6 | -1.9 | 0 | 0 | 0 | 109.7 | E125 | P123-E125 PolarHBondContact O-N 3.21Š| ||
| 124 | I | 34.7 | Very low | 35.1 | Very low | 154 Ų | 154 | 128 Ų | 128 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | -72.1 | 115.2 | 163.9 | -74.8 | 166.9 | 0 | 0 | 0 | 107.4 | A122 | A122-I124 PolarHBondContact O-N 2.88Š| ||
| 125 | E | 28 | Very low | 34.3 | Very low | 196 Ų | 196 | 128.9 Ų | 128.9 | 92% | 0.916 | 76% | 0.757 | S | S | * | * | trans | -71.3 | 129.8 | 167 | -140.5 | 177 | -169.5 | 0 | 0 | 109 | P123 | P123-E125 PolarHBondContact O-N 3.21Š| ||
| 126 | K | 33.2 | Very low | 33.7 | Very low | 204 Ų | 204 | 128.3 Ų | 128.3 | 89% | 0.887 | 76% | 0.758 | S | S | * | * | trans | -115.9 | 123.9 | -176.5 | -118.4 | -169.5 | -177.9 | -176.2 | 0 | 110.2 | ||||
| 127 | G | 25 | Very low | 32.9 | Very low | 73 Ų | 73 | 131.7 Ų | 131.7 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | -153.2 | 99.3 | 150.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 128 | S | 26.9 | Very low | 32.1 | Very low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | 74.7 | 118.8 | 100.9 | -155.3 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 129 | E | 28 | Very low | 31.4 | Very low | 190 Ų | 190 | 130.7 Ų | 130.7 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | cis | -149.4 | 164 | 29.6 | -70.1 | -172.7 | 141.4 | 0 | 0 | 112.1 | ||||
| 130 | G | 27.9 | Very low | 30.8 | Very low | 73 Ų | 73 | 135.4 Ų | 135.4 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | -87.4 | -154.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 131 | P | 40.6 | Very low | 30.2 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | cis | -141.3 | 176.2 | 8.3 | 37.6 | -15.7 | 0 | 0 | 0 | 118.1 | ||||
| 132 | T | 28.1 | Very low | 29.7 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | 87.1 | 103.2 | 147.9 | 2.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 133 | S | 28.8 | Very low | 30.1 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | 139.1 | 117.5 | 100.2 | 64 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 134 | R | 29.9 | Very low | 29.7 | Very low | 242 Ų | 242 | 143.4 Ų | 143.4 | 91% | 0.913 | 77% | 0.773 | S | S | * | * | trans | 54.1 | 146.4 | 135.1 | -65.5 | 177.9 | 173.5 | 160.9 | -2.2 | 119.3 | ||||
| 135 | S | 28.9 | Very low | 29.3 | Very low | 94 Ų | 94 | 143.9 Ų | 143.9 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | cis | 177.7 | 139.3 | -11.6 | -100.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 136 | L | 31.7 | Very low | 29.3 | Very low | 146 Ų | 146 | 141.7 Ų | 141.7 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | 66.5 | 120.2 | 142.9 | -53.5 | 174.3 | 0 | 0 | 0 | 123 | ||||
| 137 | I | 27 | Very low | 28.9 | Very low | 148 Ų | 148 | 137.5 Ų | 137.5 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | 52.4 | 120 | 123.5 | -49.7 | 168.8 | 0 | 0 | 0 | 118.2 | |||||
| 138 | S | 26.1 | Very low | 29 | Very low | 94 Ų | 94 | 137.3 Ų | 137.3 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | 157.2 | 130.2 | 111 | -156.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 139 | E | 29.6 | Very low | 28.9 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 72% | 0.715 | 77% | 0.767 | S | S | * | * | trans | 19.3 | 134.2 | 143.1 | -55.6 | -176.8 | 140.9 | 0 | 0 | 121.4 | ||||
| 140 | F | 27.1 | Very low | 29.1 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | 173.3 | 125.1 | 100.4 | -107.9 | -96.2 | 0 | 0 | 0 | 112.3 | |||||
| 141 | I | 27.9 | Very low | 29.1 | Very low | 136 Ų | 136 | 143 Ų | 143 | 70% | 0.697 | 77% | 0.767 | S | S | * | * | trans | 42 | 114.3 | 136.7 | -53.7 | -170.4 | 0 | 0 | 0 | 121.3 | ||||
| 142 | R | 25.5 | Very low | 28.6 | Very low | 232 Ų | 232 | 145.9 Ų | 145.9 | 88% | 0.875 | 77% | 0.77 | S | S | * | * | 20.4 | 168.1 | 129.8 | -82.5 | -168.5 | -174.1 | -160.9 | 3.4 | 120.9 | |||||
| 143 | P | 44.1 | Very low | 28.6 | Very low | 102 Ų | 102 | 148.1 Ų | 148.1 | 66% | 0.662 | 78% | 0.776 | S | S | * | * | cis | -139.3 | -166.3 | -50 | 40.1 | -19.3 | 0 | 0 | 0 | 112.4 | ||||
| 144 | L | 23.6 | Very low | 28.4 | Very low | 155 Ų | 155 | 151.2 Ų | 151.2 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | 107.2 | 111.2 | 167.5 | -63.2 | 156 | 0 | 0 | 0 | 115.1 | ||||
| 145 | Q | 27.8 | Very low | 28.2 | Very low | 165 Ų | 165 | 144.5 Ų | 144.5 | 77% | 0.771 | 77% | 0.774 | S | S | * | * | 60.8 | 116.5 | 89.3 | -71.2 | -101.6 | -9.2 | 0 | 0 | 110.8 | |||||
| 146 | I | 26.5 | Very low | 28 | Very low | 149 Ų | 149 | 146.5 Ų | 146.5 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | cis | -165.3 | 155.4 | 37.2 | -75 | 127.4 | 0 | 0 | 0 | 108.5 | ||||
| 147 | S | 25.4 | Very low | 27.7 | Very low | 117 Ų | 117 | 147.8 Ų | 147.8 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 127.9 | 123.1 | 138.2 | -159.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 148 | G | 26.7 | Very low | 27.6 | Very low | 68 Ų | 68 | 146 Ų | 146 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | 94.6 | 110.5 | 140.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 149 | D | 26.8 | Very low | 27.7 | Very low | 176 Ų | 176 | 147.1 Ų | 147.1 | 94% | 0.941 | 78% | 0.783 | S | S | * | * | trans | 72.1 | 125.1 | 159.4 | -78.3 | -9.9 | 0 | 0 | 0 | 121.3 | ||||
| 150 | K | 30.3 | Very low | 27.5 | Very low | 197 Ų | 197 | 149 Ų | 149 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | trans | -139.1 | 124.4 | -171.9 | -166.5 | -177.1 | -169.8 | -179.3 | 0 | 108.8 | ||||
| 151 | P | 29.5 | Very low | 27.5 | Very low | 121 Ų | 121 | 149.3 Ų | 149.3 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | -89.7 | 141.5 | 150.1 | 6.1 | 13 | 0 | 0 | 0 | 109.7 | ||||
| 152 | E | 29.5 | Very low | 27.5 | Very low | 183 Ų | 183 | 148 Ų | 148 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | -52.8 | 147.5 | 170.3 | -75.3 | 169 | 116.3 | 0 | 0 | 112.7 | ||||
| 153 | L | 28.1 | Very low | 27.5 | Very low | 168 Ų | 168 | 148.9 Ų | 148.9 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | -174.8 | 109.2 | 122.3 | -90.3 | -179.8 | 0 | 0 | 0 | 108.9 | |||||
| 154 | L | 25.2 | Very low | 26.6 | Very low | 164 Ų | 164 | 148.5 Ų | 148.5 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | trans | -101.3 | 123.3 | 157.8 | -68.9 | 172.5 | 0 | 0 | 0 | 105.5 | ||||
| 155 | S | 24.9 | Very low | 26.9 | Very low | 101 Ų | 101 | 152.3 Ų | 152.3 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | 54.7 | 101.1 | 75 | -176.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 156 | V | 25.6 | Very low | 26.8 | Very low | 137 Ų | 137 | 148.8 Ų | 148.8 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | trans | -161.3 | 105.9 | 136.9 | -162.3 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 157 | K | 24.5 | Very low | 26.7 | Very low | 173 Ų | 173 | 146.7 Ų | 146.7 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | 62.9 | 109 | 71.7 | -148.6 | 179.9 | -171.5 | 178.3 | 0 | 114.5 | |||||
| 158 | P | 25.6 | Very low | 26.9 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 136 | 165.1 | 31.5 | -27.3 | 0 | 0 | 0 | 110.1 | ||
| 159 | T | 28.1 | Very low | 27.7 | Very low | 117 Ų | 117 | 148.8 Ų | 148.8 | 72% | 0.718 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 116.2 | 174.6 | -61.7 | 0 | 0 | 0 | 0 | 108.8 | L161 | T159-L161 HydrophobicContact CG2-CG 4.41Š|
| 160 | F | 24.9 | Very low | 27.8 | Very low | 192 Ų | 192 | 145 Ų | 145 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 134.2 | 160.1 | -76.6 | -92.1 | 0 | 0 | 0 | 108.9 | ||
| 161 | L | 28.1 | Very low | 27.5 | Very low | 172 Ų | 172 | 146.9 Ų | 146.9 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | trans | -125.6 | 127.3 | 154.8 | -77.4 | 178.2 | 0 | 0 | 0 | 109.4 | T159 | T159-L161 HydrophobicContact CG2-CG 4.41Š| ||
| 162 | S | 27.6 | Very low | 27.4 | Very low | 107 Ų | 107 | 145 Ų | 145 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -91.2 | 148.8 | -177 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 163 | R | 25 | Very low | 27.1 | Very low | 251 Ų | 251 | 146.2 Ų | 146.2 | 95% | 0.947 | 80% | 0.798 | S | S | * | * | trans | -154.4 | 138.8 | 145 | -153.1 | 170.5 | -167.7 | 172.1 | 3.3 | 111.6 | ||||
| 164 | S | 25.4 | Very low | 27.2 | Very low | 95 Ų | 95 | 146.2 Ų | 146.2 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | trans | -127.7 | 169.5 | -164 | 39.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 165 | R | 29.6 | Very low | 27.2 | Very low | 235 Ų | 235 | 144.3 Ų | 144.3 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | 89.3 | 141 | 165.8 | -75.1 | -172.1 | 179.1 | -176.3 | 0.7 | 118.2 | ||||
| 166 | A | 25.8 | Very low | 27.6 | Very low | 90 Ų | 90 | 147.9 Ų | 147.9 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | cis | -172.1 | 159.8 | -0.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 167 | S | 24.6 | Very low | 28 | Very low | 106 Ų | 106 | 149.3 Ų | 149.3 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | 104.5 | 97.2 | 133.9 | -158.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 168 | S | 28.9 | Very low | 28.3 | Very low | 109 Ų | 109 | 147.8 Ų | 147.8 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | 66.1 | 161.5 | 117.7 | -62.4 | 0 | 0 | 0 | 0 | 124 | |||||
| 169 | P | 44 | Very low | 28.9 | Very low | 119 Ų | 119 | 151.4 Ų | 151.4 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | cis | -143.8 | 175.1 | -18.5 | 32.2 | -9.6 | 0 | 0 | 0 | 118.5 | ||||
| 170 | A | 28 | Very low | 29 | Very low | 96 Ų | 96 | 154.9 Ų | 154.9 | 79% | 0.793 | 82% | 0.816 | S | S | * | * | trans | 79.3 | 136.5 | 147.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 171 | R | 25.6 | Very low | 29.3 | Very low | 238 Ų | 238 | 152.9 Ų | 152.9 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | cis | -163.5 | 142.4 | 46 | -151 | 172.9 | -171.4 | 162.6 | 0.7 | 111.4 | ||||
| 172 | A | 26.2 | Very low | 29.4 | Very low | 82 Ų | 82 | 149.7 Ų | 149.7 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | trans | -76.3 | 158.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 173 | F | 24.2 | Very low | 29.4 | Very low | 208 Ų | 208 | 149.8 Ų | 149.8 | 91% | 0.912 | 81% | 0.806 | S | S | * | * | -162.8 | 136.7 | 123.1 | -97.2 | -70.7 | 0 | 0 | 0 | 111.4 | |||||
| 174 | L | 28.3 | Very low | 29.5 | Very low | 168 Ų | 168 | 143.9 Ų | 143.9 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | trans | -83.7 | 151.2 | 175.6 | -71.2 | 159.9 | 0 | 0 | 0 | 111.2 | ||||
| 175 | S | 26.4 | Very low | 29.6 | Very low | 123 Ų | 123 | 146.5 Ų | 146.5 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -163.9 | 118 | 136.1 | -169.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 176 | E | 33.8 | Very low | 29.9 | Very low | 176 Ų | 176 | 145.3 Ų | 145.3 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | -68.9 | 145.4 | 161 | -70.3 | 164 | 117.5 | 0 | 0 | 110.5 | ||||
| 177 | M | 34.1 | Very low | 30.1 | Very low | 167 Ų | 167 | 145.9 Ų | 145.9 | 82% | 0.823 | 80% | 0.804 | S | S | * | * | 164.9 | 126.4 | 102.4 | -112.3 | 178.4 | 67.5 | 0 | 0 | 112.4 | |||||
| 178 | D | 30.1 | Very low | 30.5 | Very low | 141 Ų | 141 | 150.6 Ų | 150.6 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | trans | 79.5 | 141.3 | 133.6 | -128 | -5.7 | 0 | 0 | 0 | 124.7 | ||||
| 179 | K | 38.4 | Very low | 30.8 | Very low | 188 Ų | 188 | 149.9 Ų | 149.9 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | trans | -78.9 | 141 | 178.6 | -68.8 | 170.6 | 170.8 | -178.6 | 0 | 111 | ||||
| 180 | E | 29.2 | Very low | 30.9 | Very low | 189 Ų | 189 | 154.7 Ų | 154.7 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | -173.1 | 166 | 120.8 | -107.5 | -166.7 | 173.5 | 0 | 0 | 112.7 | |||||
| 181 | L | 32 | Very low | 32 | Very low | 151 Ų | 151 | 154 Ų | 154 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -74.4 | 147.9 | -155 | -81.1 | 110.4 | 0 | 0 | 0 | 117.3 | ||||
| 182 | S | 29.3 | Very low | 33.2 | Very low | 104 Ų | 104 | 148.7 Ų | 148.7 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 72 | 123.8 | 138.8 | 65.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 183 | S | 27.8 | Very low | 34.8 | Very low | 109 Ų | 109 | 146.6 Ų | 146.6 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | 95.2 | 115.7 | 155.7 | 75 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 184 | T | 28.3 | Very low | 37.2 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | trans | 76.5 | 91.8 | 160.6 | 37 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 185 | T | 26.8 | Very low | 39.9 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 93% | 0.926 | 74% | 0.738 | S | S | * | * | -148.8 | 74 | 117.7 | -1.3 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 186 | R | 35.2 | Very low | 42.8 | Very low | 210 Ų | 210 | 138.2 Ų | 138.2 | 79% | 0.792 | 71% | 0.711 | S | S | * | * | trans | -63.8 | 143.9 | 155.3 | -178.2 | 177.5 | 179.2 | 176 | 1 | 108 | ||||
| 187 | S | 31.3 | Very low | 45.5 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | trans | 97.5 | 98.8 | 164.3 | 77.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 188 | K | 32.7 | Very low | 48.2 | Very low | 205 Ų | 205 | 124.9 Ų | 124.9 | 89% | 0.891 | 65% | 0.649 | S | S | * | * | -114.5 | 124 | 104.8 | -80.8 | -177.5 | 178.3 | 175.7 | 0 | 108 | R190 | K188-R190 PolarHBondContact O-N 3.32Š| |||
| 189 | P | 35.9 | Very low | 51.2 | Low | 94 Ų | 94 | 119.7 Ų | 119.7 | 61% | 0.61 | 62% | 0.622 | S | S | * | * | trans | -73.2 | 123.4 | 174.9 | 30.8 | -28.5 | 0 | 0 | 0 | 107.6 | F191 | P189-F191 VanDerWaalsContact C-N 3.27Š| ||
| 190 | R | 45.3 | Very low | 53.8 | Low | 221 Ų | 221 | 110.9 Ų | 110.9 | 83% | 0.834 | 58% | 0.584 | S | S | * | * | trans | -89.2 | 1.2 | 157 | -70.8 | -165.9 | -166 | 160.5 | 3.9 | 112.6 | K188 T192 | K188-R190 PolarHBondContact O-N 3.32Å; R190-T192 PolarHBondContact O-N 3.39Å; R190-T192 VanDerWaalsContact O-N 3.14Å | ||
| 191 | F | 51.5 | Low | 56.6 | Low | 81 Ų | 81 | 108.2 Ų | 108.2 | 36% | 0.355 | 57% | 0.566 | S | S | . | * | trans | -90.4 | 74.1 | 178.7 | -63.8 | -90.1 | 0 | 0 | 0 | 110.2 | P189 Y229 E239 | P189-F191 VanDerWaalsContact C-N 3.27Å; F191-Y229 HydrophobicContact CD1-CD1 4.45Å; F191-Y229 AromaticContact CD1-CD2 3.96Å; F191-Y229 HydrophobicContact CD1-CD2 3.96Å; F191-Y229 AromaticContact CD1-CG 3.82Å; F191-Y229 HydrophobicContact CD1-CG 3.82Å; F191-Y229 HydrophobicContact CE1-CD2 4.16Å; F191-Y229 HydrophobicContact CE1-CG 4.44Å; F191-E239 HydrophobicContact CD1-CB 4.4Å; F191-E239 VanDerWaalsContact CD1-OE2 3.24Å; F191-E239 WeakPolarHBondContact CD1-OE2 3.48Å; F191-E239 HydrophobicContact CE1-CB 3.76Å; F191-E239 HydrophobicContact CE1-CG 4.41Å; F191-E239 WeakPolarHBondContact CE1-OE2 3.43Å | ||
| 192 | T | 50.4 | Low | 59.3 | Low | 126 Ų | 126 | 107 Ų | 107 | 77% | 0.773 | 55% | 0.552 | S | S | * | * | trans | -111.8 | 98.2 | 166.9 | 54.8 | 0 | 0 | 0 | 0 | 108.2 | R190 | R190-T192 PolarHBondContact O-N 3.39Å; R190-T192 VanDerWaalsContact O-N 3.14Å | ||
| 193 | G | 60.2 | Low | 62.1 | Low | 38 Ų | 38 | 105.8 Ų | 105.8 | 39% | 0.392 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -173.7 | 160.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V195 | G193-V195 PolarHBondContact O-N 3.44Š|
| 194 | K | 75.3 | Confident | 64.9 | Low | 167 Ų | 167 | 102.4 Ų | 102.4 | 73% | 0.726 | 51% | 0.514 | S | S | * | . | trans | -60.6 | 121.7 | 175.4 | -174.1 | 175.7 | -179.9 | 177.5 | 0 | 109.2 | R196 G230 | K194-R196 HydrophobicContact CG-CG 4.3Å; K194-G230 PolarHBondContact O-N 2.95Å | ||
| 195 | V | 83.4 | Confident | 67.7 | Low | 79 Ų | 79 | 99.4 Ų | 99.4 | 48% | 0.479 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 132.8 | 173.4 | -170.7 | 0 | 0 | 0 | 0 | 108.4 | G193 Y227 V228 Y229 | G193-V195 PolarHBondContact O-N 3.44Å; V195-Y227 HydrophobicContact CG1-CD1 4.05Å; V195-V228 WeakPolarHBondContact CA-O 3.39Å; V195-Y229 HydrophobicContact CB-CD1 4.44Å; V195-Y229 HydrophobicContact CB-CE1 4.42Å; V195-Y229 HydrophobicContact CG1-CD1 4.3Å; V195-Y229 HydrophobicContact CG1-CE1 3.99Å; V195-Y229 HydrophobicContact CG2-CD1 3.66Å; V195-Y229 HydrophobicContact CG2-CE1 3.62Å |
| 196 | R | 88.4 | Confident | 70.5 | Confident | 77 Ų | 77 | 92.3 Ų | 92.3 | 29% | 0.291 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 135.5 | 177.6 | -66.2 | 177.8 | -77.2 | 168.1 | -0.7 | 109.9 | K194 V228 G230 F257 | K194-R196 HydrophobicContact CG-CG 4.3Å; R196-V228 PolarHBondContact N-O 3.04Å; R196-V228 PolarHBondContact O-N 2.82Å; R196-G230 PolarHBondContact NH2-O 2.84Å; R196-F257 HydrophobicContact CB-CD1 3.66Å; R196-F257 HydrophobicContact CB-CE1 3.74Å; R196-F257 HydrophobicContact CG-CD1 4.43Å; R196-F257 HydrophobicContact CG-CE1 4.45Å |
| 197 | L | 90.9 | Very high | 72.6 | Confident | 63 Ų | 63 | 89.6 Ų | 89.6 | 33% | 0.33 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 131.1 | 175.1 | -171.9 | 68.1 | 0 | 0 | 0 | 109.6 | Y225 Y227 V258 | L197-Y225 HydrophobicContact CD1-CD1 4.49Å; L197-Y225 HydrophobicContact CD2-CD1 4.12Å; L197-Y225 HydrophobicContact CG-CD1 4.17Å; L197-Y227 HydrophobicContact CD1-CD1 3.94Å; L197-Y227 HydrophobicContact CD1-CE1 3.67Å; L197-V258 HydrophobicContact CD2-CG2 4.41Å; L197-V258 HydrophobicContact CG-CG2 4.3Å; L197-V258 PolarHBondContact O-N 3.17Å |
| 198 | C | 90.4 | Very high | 74.9 | Confident | 0 Ų | 0 | 91.3 Ų | 91.3 | 0% | 0 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 155 | 176.8 | -53 | 0 | 0 | 0 | 0 | 110.5 | Y225 L226 V228 V255 E256 F257 | C198-Y225 CarbonylContact O-C 3.49Å; C198-Y225 VanDerWaalsContact O-CA 3.24Å; C198-Y225 WeakPolarHBondContact O-CA 3.1Å; C198-L226 HydrophobicContact CB-CD2 4.41Å; C198-L226 HydrophobicContact CB-CG 4.32Å; C198-L226 PolarHBondContact N-O 3.23Å; C198-L226 PolarHBondContact O-N 3.46Å; C198-V228 HydrophobicContact CB-CG2 4.42Å; C198-V255 HydrophobicContact CB-CB 4.12Å; C198-E256 CarbonylContact C-O 3.5Å; C198-E256 WeakPolarHBondContact CA-O 3.23Å; C198-F257 WeakPolarHBondContact SG-CD1 3.36Å; C198-F257 WeakPolarHBondContact SG-CE1 3.23Å |
| 199 | V | 92.8 | Very high | 76.4 | Confident | 33 Ų | 33 | 83.3 Ų | 83.3 | 20% | 0.2 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 135.1 | 167 | 64.3 | 0 | 0 | 0 | 0 | 109.4 | R201 K224 Y225 V255 E256 | V199-R201 PolarHBondContact O-N 3.44Å; V199-K224 WeakPolarHBondContact CA-O 3.18Å; V199-Y225 HydrophobicContact CB-CD1 4.1Å; V199-Y225 HydrophobicContact CB-CE1 4.09Å; V199-Y225 HydrophobicContact CG2-CE1 4.41Å; V199-V255 CarbonylContact O-C 3.49Å; V199-V255 WeakPolarHBondContact O-CA 3.12Å; V199-E256 HydrophobicContact CG1-CB 4.04Å; V199-E256 PolarHBondContact N-O 2.77Å; V199-E256 PolarHBondContact O-N 2.86Å |
| 200 | A | 92.6 | Very high | 77.3 | Confident | 2 Ų | 2 | 85.2 Ų | 85.2 | 2% | 0.017 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 120.9 | 173 | 0 | 0 | 0 | 0 | 0 | 109.9 | L220 V221 A222 G223 K224 L226 F254 | A200-L220 HydrophobicContact CB-CB 3.96Å; A200-V221 WeakPolarHBondContact CB-O 3.48Å; A200-A222 CarbonylContact O-C 3.49Å; A200-A222 WeakPolarHBondContact O-CA 3.15Å; A200-G223 PolarHBondContact O-N 2.93Å; A200-K224 PolarHBondContact N-O 2.97Å; A200-L226 HydrophobicContact CB-CD2 4.18Å; A200-F254 CarbonylContact C-O 3.58Å; A200-F254 WeakPolarHBondContact CA-O 3.42Å |
| 201 | R | 88.8 | Confident | 78.6 | Confident | 134 Ų | 134 | 77.1 Ų | 77.1 | 51% | 0.506 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -75.2 | -31.9 | 178.4 | -61.4 | -171.3 | 76.3 | -176.7 | -0.7 | 112.4 | V199 F254 E256 | V199-R201 PolarHBondContact O-N 3.44Å; R201-F254 PolarHBondContact N-O 2.88Å; R201-E256 HydrophobicContact CG-CB 3.75Å; R201-E256 IonicContact CZ-OE2 3.34Å; R201-E256 IonicContact NE-OE2 2.92Å; R201-E256 PolarHBondContact NE-OE2 2.86Å |
| 202 | Y | 87.5 | Confident | 79.4 | Confident | 126 Ų | 126 | 81.8 Ų | 81.8 | 49% | 0.494 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -135 | 154.5 | -177.5 | -53.1 | -71.2 | 0 | 0 | 0 | 109.7 | F254 | Y202-F254 HydrophobicContact CD2-CD1 4.43Š|
| 203 | S | 88.8 | Confident | 80.7 | Confident | 77 Ų | 77 | 81 Ų | 81 | 54% | 0.538 | 41% | 0.413 | S | S | . | . | trans | -75.2 | 137.6 | 169.7 | -58.8 | 0 | 0 | 0 | 0 | 108.9 | L220 A222 | S203-L220 CarbonylContact C-O 3.52Å; S203-L220 VanDerWaalsContact CA-O 3.25Å; S203-L220 WeakPolarHBondContact CA-O 3.38Å; S203-A222 PolarHBondContact OG-N 3.21Å | ||
| 204 | Y | 87.3 | Confident | 81.7 | Confident | 39 Ų | 39 | 80.3 Ų | 80.3 | 15% | 0.153 | 40% | 0.402 | C | S | . | . | B | Isolated β-bridge | trans | -134.5 | 127.8 | -178.7 | 179.6 | -115.9 | 0 | 0 | 0 | 109.1 | P206 N211 E217 P219 L220 P251 F254 | Y204-P206 HydrophobicContact CD1-CG 4.19Å; Y204-P206 HydrophobicContact CE1-CB 4.31Å; Y204-P206 HydrophobicContact CE1-CG 3.81Å; Y204-N211 PolarHBondContact OH-ND2 2.71Å; Y204-E217 HydrophobicContact CE1-CB 4.48Å; Y204-E217 WeakPolarHBondContact CE1-OE2 3.37Å; Y204-E217 VanDerWaalsContact CZ-OE2 3.26Å; Y204-E217 PolarHBondContact OH-OE2 2.81Å; Y204-P219 CarbonylContact O-C 3.58Å; Y204-P219 WeakPolarHBondContact O-CA 3.36Å; Y204-L220 HydrophobicContact CD1-CG 4.45Å; Y204-L220 PolarHBondContact N-O 3.46Å; Y204-L220 PolarHBondContact O-N 2.77Å; Y204-P251 HydrophobicContact CD1-CG 3.89Å; Y204-P251 HydrophobicContact CE1-CG 3.82Å; Y204-P251 HydrophobicContact CG-CG 4.32Å; Y204-F254 HydrophobicContact CD2-CD1 4.29Å; Y204-F254 AromaticContact CD2-CE1 3.89Å; Y204-F254 HydrophobicContact CD2-CE1 3.89Å; Y204-F254 HydrophobicContact CD2-CE2 4.45Å; Y204-F254 AromaticContact CD2-CZ 3.98Å; Y204-F254 HydrophobicContact CD2-CZ 3.98Å; Y204-F254 HydrophobicContact CG-CD1 4.31Å; Y204-F254 HydrophobicContact CG-CE1 4.34Å |
| 205 | N | 86.9 | Confident | 82 | Confident | 64 Ų | 64 | 78.5 Ų | 78.5 | 34% | 0.342 | 40% | 0.396 | S | S | . | . | trans | -118.5 | 111 | 173 | -179.1 | 11.3 | 0 | 0 | 0 | 107.9 | Y207 D208 | N205-Y207 PolarHBondContact O-N 3Å; N205-Y207 PolarHBondContact OD1-N 3.21Å; N205-D208 HydrophobicContact CB-CB 4.27Å; N205-D208 VanDerWaalsContact CB-OD2 3.3Å; N205-D208 WeakPolarHBondContact CB-OD2 3.22Å; N205-D208 PolarHBondContact ND2-OD1 2.89Å; N205-D208 PolarHBondContact ND2-OD2 2.82Å; N205-D208 VanDerWaalsContact ND2-OD2 3.13Å; N205-D208 PolarHBondContact O-N 3.37Å; N205-D208 VanDerWaalsContact O-N 3.09Å | ||
| 206 | P | 84.8 | Confident | 81.9 | Confident | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.006 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -55 | -23.5 | -179.9 | -27 | 33.5 | 0 | 0 | 0 | 114.2 | Y204 P214 E217 | Y204-P206 HydrophobicContact CD1-CG 4.19Å; Y204-P206 HydrophobicContact CE1-CB 4.31Å; Y204-P206 HydrophobicContact CE1-CG 3.81Å; P206-P214 HydrophobicContact CB-CB 3.92Å; P206-P214 WeakPolarHBondContact CB-O 3.43Å; P206-E217 HydrophobicContact CB-CB 4Å; P206-E217 HydrophobicContact CG-CB 3.82Å |
| 207 | Y | 79.3 | Confident | 81.9 | Confident | 154 Ų | 154 | 74 Ų | 74 | 60% | 0.604 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -87.2 | -7.2 | -177.7 | -61.6 | -83.2 | 0 | 0 | 0 | 114.7 | N205 P214 | N205-Y207 PolarHBondContact O-N 3Å; N205-Y207 PolarHBondContact OD1-N 3.21Å; Y207-P214 HydrophobicContact CD1-CB 3.7Å; Y207-P214 HydrophobicContact CD1-CG 3.85Å; Y207-P214 HydrophobicContact CE1-CB 3.65Å; Y207-P214 HydrophobicContact CE1-CG 3.66Å; Y207-P214 HydrophobicContact CG-CB 4.18Å |
| 208 | D | 79.9 | Confident | 81.8 | Confident | 136 Ų | 136 | 71.1 Ų | 71.1 | 73% | 0.727 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -89.6 | -0.9 | -178.3 | -71.8 | -14.8 | 0 | 0 | 0 | 113.3 | N205 | N205-D208 HydrophobicContact CB-CB 4.27Å; N205-D208 VanDerWaalsContact CB-OD2 3.3Å; N205-D208 WeakPolarHBondContact CB-OD2 3.22Å; N205-D208 PolarHBondContact ND2-OD1 2.89Å; N205-D208 PolarHBondContact ND2-OD2 2.82Å; N205-D208 VanDerWaalsContact ND2-OD2 3.13Å; N205-D208 PolarHBondContact O-N 3.37Å; N205-D208 VanDerWaalsContact O-N 3.09Å |
| 209 | G | 64.4 | Low | 81.7 | Confident | 37 Ų | 37 | 73.6 Ų | 73.6 | 38% | 0.381 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -124.5 | 174.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | N211 | G209-N211 PolarHBondContact O-N 3.4Š|
| 210 | P | 55.3 | Low | 81.6 | Confident | 135 Ų | 135 | 72.3 Ų | 72.3 | 88% | 0.877 | 37% | 0.373 | S | S | * | . | trans | -79.4 | 41.3 | 177.8 | 37.5 | -36.8 | 0 | 0 | 0 | 111.7 | ||||
| 211 | N | 71.1 | Confident | 81.5 | Confident | 50 Ų | 50 | 75.3 Ų | 75.3 | 27% | 0.267 | 39% | 0.391 | S | S | . | . | trans | -72.2 | 133.8 | -176.3 | -69.4 | 19.4 | 0 | 0 | 0 | 109.7 | Y204 G209 H213 E217 | Y204-N211 PolarHBondContact OH-ND2 2.71Å; G209-N211 PolarHBondContact O-N 3.4Å; N211-H213 VanDerWaalsContact C-N 3.3Å; N211-H213 PolarHBondContact O-N 3.44Å; N211-E217 VanDerWaalsContact ND2-CD 3.34Å; N211-E217 PolarHBondContact ND2-OE1 2.91Å; N211-E217 PolarHBondContact ND2-OE2 2.77Å | ||
| 212 | E | 69.4 | Low | 81.6 | Confident | 179 Ų | 179 | 71.3 Ų | 71.3 | 84% | 0.836 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -72.7 | -24.7 | -179.4 | -64.6 | -170.7 | 156.7 | 0 | 0 | 112.4 | ||
| 213 | H | 77 | Confident | 81.5 | Confident | 110 Ų | 110 | 67.7 Ų | 67.7 | 51% | 0.509 | 39% | 0.388 | S | S | . | . | trans | -141 | 66.9 | -178.6 | -65.6 | -62.4 | 0 | 0 | 0 | 113.1 | N211 E215 A216 | N211-H213 VanDerWaalsContact C-N 3.3Å; N211-H213 PolarHBondContact O-N 3.44Å; H213-E215 IonicContact CG-OE1 3.98Å; H213-E215 IonicContact ND1-OE1 2.94Å; H213-E215 PolarHBondContact ND1-OE1 2.82Å; H213-E215 PolarHBondContact O-N 2.83Å; H213-E215 VanDerWaalsContact O-N 3.16Å; H213-A216 HydrophobicContact CB-CB 4.22Å; H213-A216 PolarHBondContact O-N 2.84Å; H213-A216 VanDerWaalsContact O-N 3.08Å | ||
| 214 | P | 80.9 | Confident | 81.6 | Confident | 24 Ų | 24 | 69.7 Ų | 69.7 | 16% | 0.156 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -60.9 | -23.9 | -179 | 27.5 | -36.4 | 0 | 0 | 0 | 113.5 | P206 Y207 A216 E217 | P206-P214 HydrophobicContact CB-CB 3.92Å; P206-P214 WeakPolarHBondContact CB-O 3.43Å; Y207-P214 HydrophobicContact CD1-CB 3.7Å; Y207-P214 HydrophobicContact CD1-CG 3.85Å; Y207-P214 HydrophobicContact CE1-CB 3.65Å; Y207-P214 HydrophobicContact CE1-CG 3.66Å; Y207-P214 HydrophobicContact CG-CB 4.18Å; P214-A216 VanDerWaalsContact C-N 3.27Å; P214-A216 PolarHBondContact O-N 2.83Å; P214-E217 PolarHBondContact O-N 3.39Å |
| 215 | E | 81.4 | Confident | 81.8 | Confident | 128 Ų | 128 | 73.4 Ų | 73.4 | 60% | 0.598 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -70.3 | -18 | 176.4 | 68.8 | -79.7 | -175 | 0 | 0 | 114.5 | H213 | H213-E215 IonicContact CG-OE1 3.98Å; H213-E215 IonicContact ND1-OE1 2.94Å; H213-E215 PolarHBondContact ND1-OE1 2.82Å; H213-E215 PolarHBondContact O-N 2.83Å; H213-E215 VanDerWaalsContact O-N 3.16Å |
| 216 | A | 81.7 | Confident | 82.1 | Confident | 40 Ų | 40 | 70.4 Ų | 70.4 | 33% | 0.331 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -87.8 | -15.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | H213 P214 G248 L249 | H213-A216 HydrophobicContact CB-CB 4.22Å; H213-A216 PolarHBondContact O-N 2.84Å; H213-A216 VanDerWaalsContact O-N 3.08Å; P214-A216 VanDerWaalsContact C-N 3.27Å; P214-A216 PolarHBondContact O-N 2.83Å; A216-G248 CarbonylContact O-C 3.56Å; A216-G248 WeakPolarHBondContact O-CA 3.49Å; A216-L249 HydrophobicContact CB-CD1 4.49Å; A216-L249 PolarHBondContact O-N 3.32Å |
| 217 | E | 88.7 | Confident | 82.4 | Confident | 23 Ų | 23 | 74.9 Ų | 74.9 | 11% | 0.107 | 40% | 0.403 | C | S | . | . | B | Isolated β-bridge | trans | -104.4 | 151.6 | -174.6 | -67.3 | 179.5 | -126.9 | 0 | 0 | 112.7 | Y204 P206 N211 P214 F237 L249 | Y204-E217 HydrophobicContact CE1-CB 4.48Å; Y204-E217 WeakPolarHBondContact CE1-OE2 3.37Å; Y204-E217 VanDerWaalsContact CZ-OE2 3.26Å; Y204-E217 PolarHBondContact OH-OE2 2.81Å; P206-E217 HydrophobicContact CB-CB 4Å; P206-E217 HydrophobicContact CG-CB 3.82Å; N211-E217 VanDerWaalsContact ND2-CD 3.34Å; N211-E217 PolarHBondContact ND2-OE1 2.91Å; N211-E217 PolarHBondContact ND2-OE2 2.77Å; P214-E217 PolarHBondContact O-N 3.39Å; E217-F237 HydrophobicContact CG-CE1 4.2Å; E217-L249 CarbonylContact C-O 3.53Å; E217-L249 WeakPolarHBondContact CA-O 3.15Å; E217-L249 HydrophobicContact CG-CB 4.13Å |
| 218 | L | 88.4 | Confident | 83 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.01 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -90.3 | 132.2 | -179.9 | -74.2 | 175.5 | 0 | 0 | 0 | 112.3 | L220 G240 L242 Q246 L249 V250 | L218-L220 HydrophobicContact CB-CD2 4.39Å; L218-L220 PolarHBondContact O-N 2.67Å; L218-G240 VanDerWaalsContact CD1-C 3.45Å; L218-G240 VanDerWaalsContact CD1-O 3.27Å; L218-G240 WeakPolarHBondContact CD1-O 3.28Å; L218-L242 HydrophobicContact CB-CD1 4.5Å; L218-L242 HydrophobicContact CB-CG 4.47Å; L218-L242 HydrophobicContact CD1-CG 4.19Å; L218-L242 HydrophobicContact CD2-CD1 4.02Å; L218-L242 HydrophobicContact CD2-CG 4.16Å; L218-Q246 HydrophobicContact CD2-CB 4.05Å; L218-Q246 HydrophobicContact CD2-CG 3.71Å; L218-L249 PolarHBondContact N-O 3.12Å; L218-V250 HydrophobicContact CB-CG2 4.25Å; L218-V250 HydrophobicContact CD1-CG2 3.73Å; L218-V250 HydrophobicContact CG-CG2 4.44Å |
| 219 | P | 89.6 | Confident | 83.3 | Confident | 52 Ų | 52 | 63 Ų | 63 | 34% | 0.338 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 121.2 | 169.2 | 28.9 | -32.4 | 0 | 0 | 0 | 109.9 | Y204 L242 | Y204-P219 CarbonylContact O-C 3.58Å; Y204-P219 WeakPolarHBondContact O-CA 3.36Å; P219-L242 HydrophobicContact CG-CD1 4.29Å |
| 220 | L | 90.4 | Very high | 84.1 | Confident | 5 Ų | 5 | 62.1 Ų | 62.1 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -100 | 145 | 179 | -50.6 | 176.1 | 0 | 0 | 0 | 110 | A200 S203 Y204 L218 L226 L242 V250 P251 F254 V255 | A200-L220 HydrophobicContact CB-CB 3.96Å; S203-L220 CarbonylContact C-O 3.52Å; S203-L220 VanDerWaalsContact CA-O 3.25Å; S203-L220 WeakPolarHBondContact CA-O 3.38Å; Y204-L220 HydrophobicContact CD1-CG 4.45Å; Y204-L220 PolarHBondContact N-O 3.46Å; Y204-L220 PolarHBondContact O-N 2.77Å; L218-L220 HydrophobicContact CB-CD2 4.39Å; L218-L220 PolarHBondContact O-N 2.67Å; L220-L226 HydrophobicContact CD2-CD1 4.09Å; L220-L226 HydrophobicContact CD2-CD2 4.28Å; L220-L242 HydrophobicContact CD2-CD2 4.44Å; L220-V250 HydrophobicContact CD1-CG1 4.17Å; L220-V250 HydrophobicContact CD2-CG1 4.31Å; L220-P251 HydrophobicContact CD1-CG 4.32Å; L220-F254 HydrophobicContact CD1-CB 3.6Å; L220-V255 HydrophobicContact CD1-CG1 3.91Å |
| 221 | V | 89.1 | Confident | 85.1 | Confident | 66 Ų | 66 | 61.6 Ų | 61.6 | 40% | 0.4 | 33% | 0.332 | S | S | . | . | trans | -121.1 | 125.4 | 171.2 | 180 | 0 | 0 | 0 | 0 | 107.5 | A200 G223 K224 | A200-V221 WeakPolarHBondContact CB-O 3.48Å; V221-G223 PolarHBondContact O-N 3.02Å; V221-K224 HydrophobicContact CB-CB 4.5Å; V221-K224 HydrophobicContact CB-CD 3.79Å; V221-K224 HydrophobicContact CB-CG 3.93Å; V221-K224 HydrophobicContact CG1-CD 4.27Å; V221-K224 HydrophobicContact CG1-CG 4.21Å; V221-K224 HydrophobicContact CG2-CD 4.31Å; V221-K224 WeakPolarHBondContact O-CB 3.46Å; V221-K224 PolarHBondContact O-N 2.79Å | ||
| 222 | A | 90.9 | Very high | 85.7 | Confident | 49 Ų | 49 | 63.7 Ų | 63.7 | 41% | 0.405 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | 132.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A200 S203 K224 | A200-A222 CarbonylContact O-C 3.49Å; A200-A222 WeakPolarHBondContact O-CA 3.15Å; S203-A222 PolarHBondContact OG-N 3.21Å; A222-K224 VanDerWaalsContact C-N 3.31Å; A222-K224 PolarHBondContact O-N 3.28Å |
| 223 | G | 85.8 | Confident | 86.3 | Confident | 51 Ų | 51 | 58 Ų | 58 | 53% | 0.526 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | -5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | A200 V221 | A200-G223 PolarHBondContact O-N 2.93Å; V221-G223 PolarHBondContact O-N 3.02Å |
| 224 | K | 91 | Very high | 86.3 | Confident | 119 Ų | 119 | 62.3 Ų | 62.3 | 52% | 0.517 | 34% | 0.337 | S | S | . | . | trans | -84.5 | 146.5 | 174 | -66.6 | -162.6 | -174.2 | 174.7 | 0 | 111.8 | V199 A200 V221 A222 | V199-K224 WeakPolarHBondContact CA-O 3.18Å; A200-K224 PolarHBondContact N-O 2.97Å; V221-K224 HydrophobicContact CB-CB 4.5Å; V221-K224 HydrophobicContact CB-CD 3.79Å; V221-K224 HydrophobicContact CB-CG 3.93Å; V221-K224 HydrophobicContact CG1-CD 4.27Å; V221-K224 HydrophobicContact CG1-CG 4.21Å; V221-K224 HydrophobicContact CG2-CD 4.31Å; V221-K224 WeakPolarHBondContact O-CB 3.46Å; V221-K224 PolarHBondContact O-N 2.79Å; A222-K224 VanDerWaalsContact C-N 3.31Å; A222-K224 PolarHBondContact O-N 3.28Å | ||
| 225 | Y | 90.9 | Very high | 86.2 | Confident | 116 Ų | 116 | 67.6 Ų | 67.6 | 46% | 0.455 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 150 | 175.4 | -61.6 | -87.6 | 0 | 0 | 0 | 111.4 | L197 C198 V199 L243 V258 | L197-Y225 HydrophobicContact CD1-CD1 4.49Å; L197-Y225 HydrophobicContact CD2-CD1 4.12Å; L197-Y225 HydrophobicContact CG-CD1 4.17Å; C198-Y225 CarbonylContact O-C 3.49Å; C198-Y225 VanDerWaalsContact O-CA 3.24Å; C198-Y225 WeakPolarHBondContact O-CA 3.1Å; V199-Y225 HydrophobicContact CB-CD1 4.1Å; V199-Y225 HydrophobicContact CB-CE1 4.09Å; V199-Y225 HydrophobicContact CG2-CE1 4.41Å; Y225-L243 WeakPolarHBondContact O-CG 3.46Å; Y225-V258 HydrophobicContact CD1-CG2 4.06Å; Y225-V258 HydrophobicContact CE1-CG2 3.81Å |
| 226 | L | 93.1 | Very high | 86.4 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 157.4 | 173.9 | 63.8 | 144.1 | 0 | 0 | 0 | 110.3 | C198 A200 L220 V228 E241 L242 V250 V255 | C198-L226 HydrophobicContact CB-CD2 4.41Å; C198-L226 HydrophobicContact CB-CG 4.32Å; C198-L226 PolarHBondContact N-O 3.23Å; C198-L226 PolarHBondContact O-N 3.46Å; A200-L226 HydrophobicContact CB-CD2 4.18Å; L220-L226 HydrophobicContact CD2-CD1 4.09Å; L220-L226 HydrophobicContact CD2-CD2 4.28Å; L226-V228 HydrophobicContact CD1-CG2 4.2Å; L226-E241 WeakPolarHBondContact CB-O 3.33Å; L226-L242 HydrophobicContact CB-CD2 4.3Å; L226-V250 HydrophobicContact CD1-CB 4.21Å; L226-V250 HydrophobicContact CD1-CG1 3.63Å; L226-V250 HydrophobicContact CD1-CG2 3.55Å; L226-V255 HydrophobicContact CD1-CG1 4.24Å; L226-V255 HydrophobicContact CD2-CG1 3.93Å |
| 227 | Y | 91.9 | Very high | 86.7 | Confident | 96 Ų | 96 | 62.8 Ų | 62.8 | 38% | 0.376 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 137.8 | 174 | -62.6 | -74.2 | 0 | 0 | 0 | 109.9 | V195 L197 G240 E241 L243 | V195-Y227 HydrophobicContact CG1-CD1 4.05Å; L197-Y227 HydrophobicContact CD1-CD1 3.94Å; L197-Y227 HydrophobicContact CD1-CE1 3.67Å; Y227-G240 CarbonylContact O-C 3.57Å; Y227-G240 WeakPolarHBondContact O-CA 3.29Å; Y227-E241 PolarHBondContact N-O 2.96Å; Y227-E241 PolarHBondContact O-N 3.2Å; Y227-L243 HydrophobicContact CE2-CD2 3.87Å |
| 228 | V | 91.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 134.9 | 172.3 | 162.5 | 0 | 0 | 0 | 0 | 109.1 | V195 R196 C198 L226 Y238 E239 F257 | V195-V228 WeakPolarHBondContact CA-O 3.39Å; R196-V228 PolarHBondContact N-O 3.04Å; R196-V228 PolarHBondContact O-N 2.82Å; C198-V228 HydrophobicContact CB-CG2 4.42Å; L226-V228 HydrophobicContact CD1-CG2 4.2Å; V228-Y238 HydrophobicContact CG1-CD1 3.61Å; V228-Y238 HydrophobicContact CG1-CD2 4.42Å; V228-Y238 HydrophobicContact CG1-CE1 4.42Å; V228-Y238 HydrophobicContact CG1-CG 3.62Å; V228-Y238 HydrophobicContact CG2-CG 4.43Å; V228-E239 CarbonylContact C-O 3.54Å; V228-E239 WeakPolarHBondContact CA-O 3.23Å; V228-F257 HydrophobicContact CB-CE1 4.3Å; V228-F257 HydrophobicContact CG1-CE1 4.14Å; V228-F257 HydrophobicContact CG1-CZ 4.33Å |
| 229 | Y | 86.6 | Confident | 86.8 | Confident | 41 Ų | 41 | 66.5 Ų | 66.5 | 16% | 0.161 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 130.6 | -179.1 | -59.5 | -84 | 0 | 0 | 0 | 110.2 | F191 V195 E239 E241 | F191-Y229 HydrophobicContact CD1-CD1 4.45Å; F191-Y229 AromaticContact CD1-CD2 3.96Å; F191-Y229 HydrophobicContact CD1-CD2 3.96Å; F191-Y229 AromaticContact CD1-CG 3.82Å; F191-Y229 HydrophobicContact CD1-CG 3.82Å; F191-Y229 HydrophobicContact CE1-CD2 4.16Å; F191-Y229 HydrophobicContact CE1-CG 4.44Å; V195-Y229 HydrophobicContact CB-CD1 4.44Å; V195-Y229 HydrophobicContact CB-CE1 4.42Å; V195-Y229 HydrophobicContact CG1-CD1 4.3Å; V195-Y229 HydrophobicContact CG1-CE1 3.99Å; V195-Y229 HydrophobicContact CG2-CD1 3.66Å; V195-Y229 HydrophobicContact CG2-CE1 3.62Å; Y229-E239 PolarHBondContact N-O 2.87Å; Y229-E241 HydrophobicContact CE2-CB 3.73Å; Y229-E241 PolarHBondContact OH-OE2 2.93Å |
| 230 | G | 80.1 | Confident | 86.9 | Confident | 18 Ų | 18 | 64.1 Ų | 64.1 | 19% | 0.186 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 77.2 | -157.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | K194 R196 | K194-G230 PolarHBondContact O-N 2.95Å; R196-G230 PolarHBondContact NH2-O 2.84Å |
| 231 | T | 77.6 | Confident | 87 | Confident | 124 Ų | 124 | 65.1 Ų | 65.1 | 76% | 0.761 | 34% | 0.344 | S | S | * | . | trans | -102.3 | 162.4 | 177.8 | 51.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 232 | M | 82.6 | Confident | 87 | Confident | 93 Ų | 93 | 62.8 Ų | 62.8 | 46% | 0.458 | 33% | 0.329 | S | S | . | . | trans | -60.9 | 139.1 | 174.5 | -166.1 | 178 | 73.8 | 0 | 0 | 109.7 | F237 Y238 | M232-F237 WeakPolarHBondContact CA-O 3.38Å; M232-Y238 HydrophobicContact CB-CD1 4.11Å; M232-Y238 HydrophobicContact CB-CE1 3.55Å; M232-Y238 HydrophobicContact CG-CE1 4.25Å; M232-Y238 VanDerWaalsContact N-CE1 3.34Å | ||
| 233 | D | 83.8 | Confident | 86.8 | Confident | 59 Ų | 59 | 65.9 Ų | 65.9 | 32% | 0.316 | 34% | 0.339 | S | S | . | . | trans | -77.8 | 176.9 | 172.5 | 62.4 | 23.4 | 0 | 0 | 0 | 112.1 | D235 G236 F237 | D233-D235 PolarHBondContact O-N 3.47Å; D233-D235 PolarHBondContact OD1-N 3.27Å; D233-D235 VanDerWaalsContact OD1-N 3.15Å; D233-G236 PolarHBondContact O-N 3.21Å; D233-G236 PolarHBondContact OD1-N 3.2Å; D233-F237 PolarHBondContact N-O 3.47Å; D233-F237 PolarHBondContact OD1-N 2.98Å | ||
| 234 | E | 76.1 | Confident | 86.6 | Confident | 202 Ų | 202 | 69.2 Ų | 69.2 | 94% | 0.944 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -20.2 | -178.9 | -62.1 | -176 | 173.3 | 0 | 0 | 112.7 | ||
| 235 | D | 79.6 | Confident | 86.2 | Confident | 134 Ų | 134 | 65.4 Ų | 65.4 | 72% | 0.717 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -2.8 | -179.6 | -63 | -48.5 | 0 | 0 | 0 | 113 | D233 F237 | D233-D235 PolarHBondContact O-N 3.47Å; D233-D235 PolarHBondContact OD1-N 3.27Å; D233-D235 VanDerWaalsContact OD1-N 3.15Å; D235-F237 HydrophobicContact CB-CD2 4Å; D235-F237 HydrophobicContact CB-CE2 4.42Å; D235-F237 WeakPolarHBondContact O-CD2 3.45Å |
| 236 | G | 84.3 | Confident | 86 | Confident | 18 Ų | 18 | 64.5 Ų | 64.5 | 19% | 0.186 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 86.4 | 17.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D233 S252 | D233-G236 PolarHBondContact O-N 3.21Å; D233-G236 PolarHBondContact OD1-N 3.2Å; G236-S252 WeakPolarHBondContact O-CB 3.18Å; G236-S252 PolarHBondContact O-N 3.48Å; G236-S252 VanDerWaalsContact O-N 3.12Å; G236-S252 PolarHBondContact O-OG 2.87Å |
| 237 | F | 88.4 | Confident | 85.8 | Confident | 49 Ų | 49 | 70.1 Ų | 70.1 | 22% | 0.215 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 156.6 | 176.4 | -67 | -98.2 | 0 | 0 | 0 | 111.7 | E217 M232 D233 D235 L249 V250 P251 | E217-F237 HydrophobicContact CG-CE1 4.2Å; M232-F237 WeakPolarHBondContact CA-O 3.38Å; D233-F237 PolarHBondContact N-O 3.47Å; D233-F237 PolarHBondContact OD1-N 2.98Å; D235-F237 HydrophobicContact CB-CD2 4Å; D235-F237 HydrophobicContact CB-CE2 4.42Å; D235-F237 WeakPolarHBondContact O-CD2 3.45Å; F237-L249 HydrophobicContact CB-CB 4.29Å; F237-L249 HydrophobicContact CB-CD2 4.45Å; F237-L249 HydrophobicContact CD1-CB 4.05Å; F237-L249 HydrophobicContact CG-CB 4.45Å; F237-V250 WeakPolarHBondContact CA-O 3.44Å; F237-P251 HydrophobicContact CD1-CB 4.06Å; F237-P251 HydrophobicContact CE1-CB 3.81Å; F237-P251 HydrophobicContact CE1-CG 4.43Å |
| 238 | Y | 89.9 | Confident | 85.7 | Confident | 29 Ų | 29 | 66.4 Ų | 66.4 | 11% | 0.114 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 144.4 | 170.3 | -70.8 | -66.8 | 0 | 0 | 0 | 109.4 | V228 M232 G240 L249 V250 V255 F257 | V228-Y238 HydrophobicContact CG1-CD1 3.61Å; V228-Y238 HydrophobicContact CG1-CD2 4.42Å; V228-Y238 HydrophobicContact CG1-CE1 4.42Å; V228-Y238 HydrophobicContact CG1-CG 3.62Å; V228-Y238 HydrophobicContact CG2-CG 4.43Å; M232-Y238 HydrophobicContact CB-CD1 4.11Å; M232-Y238 HydrophobicContact CB-CE1 3.55Å; M232-Y238 HydrophobicContact CG-CE1 4.25Å; M232-Y238 VanDerWaalsContact N-CE1 3.34Å; Y238-G240 PolarHBondContact O-N 3.18Å; Y238-L249 CarbonylContact O-C 3.6Å; Y238-L249 WeakPolarHBondContact O-CA 2.96Å; Y238-V250 PolarHBondContact N-O 3.21Å; Y238-V250 PolarHBondContact O-N 2.93Å; Y238-V255 HydrophobicContact CD2-CG2 4.11Å; Y238-V255 HydrophobicContact CE2-CG2 4.28Å; Y238-F257 HydrophobicContact CE1-CE2 4.48Å; Y238-F257 AromaticContact CE1-CZ 3.9Å; Y238-F257 HydrophobicContact CE1-CZ 3.9Å; Y238-F257 HydrophobicContact CE2-CE2 4.08Å; Y238-F257 AromaticContact CE2-CZ 3.92Å; Y238-F257 HydrophobicContact CE2-CZ 3.92Å; Y238-F257 AromaticContact CZ-CE2 3.8Å; Y238-F257 AromaticContact CZ-CZ 3.61Å |
| 239 | E | 89.6 | Confident | 85.6 | Confident | 75 Ų | 75 | 69 Ų | 69 | 35% | 0.35 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 122.3 | 163.9 | -57.7 | -173.6 | 157.5 | 0 | 0 | 108.9 | F191 V228 Y229 L249 | F191-E239 HydrophobicContact CD1-CB 4.4Å; F191-E239 VanDerWaalsContact CD1-OE2 3.24Å; F191-E239 WeakPolarHBondContact CD1-OE2 3.48Å; F191-E239 HydrophobicContact CE1-CB 3.76Å; F191-E239 HydrophobicContact CE1-CG 4.41Å; F191-E239 WeakPolarHBondContact CE1-OE2 3.43Å; V228-E239 CarbonylContact C-O 3.54Å; V228-E239 WeakPolarHBondContact CA-O 3.23Å; Y229-E239 PolarHBondContact N-O 2.87Å; E239-L249 HydrophobicContact CG-CD2 4.3Å |
| 240 | G | 90.8 | Very high | 85.8 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.01 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 169.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L218 Y227 Y238 R247 G248 | L218-G240 VanDerWaalsContact CD1-C 3.45Å; L218-G240 VanDerWaalsContact CD1-O 3.27Å; L218-G240 WeakPolarHBondContact CD1-O 3.28Å; Y227-G240 CarbonylContact O-C 3.57Å; Y227-G240 WeakPolarHBondContact O-CA 3.29Å; Y238-G240 PolarHBondContact O-N 3.18Å; G240-R247 WeakPolarHBondContact O-CA 3.31Å; G240-G248 PolarHBondContact N-O 2.81Å; G240-G248 PolarHBondContact O-N 3.28Å; G240-G248 VanDerWaalsContact O-O 3.07Å |
| 241 | E | 92.5 | Very high | 86.3 | Confident | 26 Ų | 26 | 66.7 Ų | 66.7 | 12% | 0.121 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 124.5 | 179 | -177.3 | 167.5 | -160.4 | 0 | 0 | 109.8 | L226 Y227 Y229 Q246 R247 | L226-E241 WeakPolarHBondContact CB-O 3.33Å; Y227-E241 PolarHBondContact N-O 2.96Å; Y227-E241 PolarHBondContact O-N 3.2Å; Y229-E241 HydrophobicContact CE2-CB 3.73Å; Y229-E241 PolarHBondContact OH-OE2 2.93Å; E241-Q246 CarbonylContact C-O 3.54Å; E241-Q246 VanDerWaalsContact CA-O 3.26Å; E241-Q246 WeakPolarHBondContact CA-O 3.21Å; E241-R247 HydrophobicContact CB-CG 4Å; E241-R247 VanDerWaalsContact CD-NE 3.28Å; E241-R247 VanDerWaalsContact CD-NH2 3.34Å; E241-R247 HydrophobicContact CG-CG 3.75Å; E241-R247 IonicContact OE1-CZ 2.7Å; E241-R247 IonicContact OE1-NE 3.7Å; E241-R247 PolarHBondContact OE1-NE 2.83Å; E241-R247 IonicContact OE1-NH2 3.01Å; E241-R247 PolarHBondContact OE1-NH2 2.77Å; E241-R247 IonicContact OE2-CZ 2.81Å; E241-R247 VanDerWaalsContact OE2-CZ 3.32Å; E241-R247 IonicContact OE2-NE 2.93Å; E241-R247 PolarHBondContact OE2-NE 2.79Å; E241-R247 IonicContact OE2-NH2 2.83Å; E241-R247 PolarHBondContact OE2-NH2 2.9Å |
| 242 | L | 90.8 | Very high | 86.8 | Confident | 18 Ų | 18 | 61.9 Ų | 61.9 | 9% | 0.094 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 160.4 | 171.6 | -72.2 | 173.2 | 0 | 0 | 0 | 110.3 | L218 P219 L220 L226 D244 G245 Q246 | L218-L242 HydrophobicContact CB-CD1 4.5Å; L218-L242 HydrophobicContact CB-CG 4.47Å; L218-L242 HydrophobicContact CD1-CG 4.19Å; L218-L242 HydrophobicContact CD2-CD1 4.02Å; L218-L242 HydrophobicContact CD2-CG 4.16Å; P219-L242 HydrophobicContact CG-CD1 4.29Å; L220-L242 HydrophobicContact CD2-CD2 4.44Å; L226-L242 HydrophobicContact CB-CD2 4.3Å; L242-D244 WeakPolarHBondContact CB-OD1 3.35Å; L242-D244 PolarHBondContact O-N 2.94Å; L242-D244 VanDerWaalsContact O-N 3.14Å; L242-G245 PolarHBondContact O-N 2.84Å; L242-Q246 HydrophobicContact CB-CB 4.49Å; L242-Q246 HydrophobicContact CD1-CB 4.34Å; L242-Q246 PolarHBondContact N-O 2.82Å |
| 243 | L | 85.4 | Confident | 87.1 | Confident | 114 Ų | 114 | 63.7 Ų | 63.7 | 60% | 0.597 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -17.5 | 178.1 | -69.4 | 170.4 | 0 | 0 | 0 | 114.1 | Y225 Y227 G245 | Y225-L243 WeakPolarHBondContact O-CG 3.46Å; Y227-L243 HydrophobicContact CE2-CD2 3.87Å; L243-G245 VanDerWaalsContact C-N 3.26Å |
| 244 | D | 82.1 | Confident | 87.2 | Confident | 120 Ų | 120 | 63.7 Ų | 63.7 | 64% | 0.642 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -0.4 | 173.8 | 58.4 | 16.4 | 0 | 0 | 0 | 113.2 | L242 Q246 | L242-D244 WeakPolarHBondContact CB-OD1 3.35Å; L242-D244 PolarHBondContact O-N 2.94Å; L242-D244 VanDerWaalsContact O-N 3.14Å; D244-Q246 VanDerWaalsContact OD1-CB 3.32Å; D244-Q246 WeakPolarHBondContact OD1-CB 3.29Å; D244-Q246 PolarHBondContact OD1-N 2.9Å |
| 245 | G | 82.1 | Confident | 87.7 | Confident | 39 Ų | 39 | 54.7 Ų | 54.7 | 40% | 0.402 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 86.7 | 2.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L242 L243 | L242-G245 PolarHBondContact O-N 2.84Å; L243-G245 VanDerWaalsContact C-N 3.26Å |
| 246 | Q | 86.3 | Confident | 88.3 | Confident | 98 Ų | 98 | 53.1 Ų | 53.1 | 46% | 0.458 | 28% | 0.279 | S | S | . | . | trans | -71.5 | 132.2 | 173.3 | -164.8 | 179.4 | 33.3 | 0 | 0 | 110.1 | L218 E241 L242 D244 | L218-Q246 HydrophobicContact CD2-CB 4.05Å; L218-Q246 HydrophobicContact CD2-CG 3.71Å; E241-Q246 CarbonylContact C-O 3.54Å; E241-Q246 VanDerWaalsContact CA-O 3.26Å; E241-Q246 WeakPolarHBondContact CA-O 3.21Å; L242-Q246 HydrophobicContact CB-CB 4.49Å; L242-Q246 HydrophobicContact CD1-CB 4.34Å; L242-Q246 PolarHBondContact N-O 2.82Å; D244-Q246 VanDerWaalsContact OD1-CB 3.32Å; D244-Q246 WeakPolarHBondContact OD1-CB 3.29Å; D244-Q246 PolarHBondContact OD1-N 2.9Å | ||
| 247 | R | 89.4 | Confident | 88.4 | Confident | 118 Ų | 118 | 55.1 Ų | 55.1 | 45% | 0.445 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 144 | -176.7 | -62.4 | 176 | -179.1 | -140.3 | -13.3 | 110.7 | G240 E241 | G240-R247 WeakPolarHBondContact O-CA 3.31Å; E241-R247 HydrophobicContact CB-CG 4Å; E241-R247 VanDerWaalsContact CD-NE 3.28Å; E241-R247 VanDerWaalsContact CD-NH2 3.34Å; E241-R247 HydrophobicContact CG-CG 3.75Å; E241-R247 IonicContact OE1-CZ 2.7Å; E241-R247 IonicContact OE1-NE 3.7Å; E241-R247 PolarHBondContact OE1-NE 2.83Å; E241-R247 IonicContact OE1-NH2 3.01Å; E241-R247 PolarHBondContact OE1-NH2 2.77Å; E241-R247 IonicContact OE2-CZ 2.81Å; E241-R247 VanDerWaalsContact OE2-CZ 3.32Å; E241-R247 IonicContact OE2-NE 2.93Å; E241-R247 PolarHBondContact OE2-NE 2.79Å; E241-R247 IonicContact OE2-NH2 2.83Å; E241-R247 PolarHBondContact OE2-NH2 2.9Å |
| 248 | G | 89.6 | Confident | 88.1 | Confident | 19 Ų | 19 | 55.9 Ų | 55.9 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.9 | -172.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A216 G240 | A216-G248 CarbonylContact O-C 3.56Å; A216-G248 WeakPolarHBondContact O-CA 3.49Å; G240-G248 PolarHBondContact N-O 2.81Å; G240-G248 PolarHBondContact O-N 3.28Å; G240-G248 VanDerWaalsContact O-O 3.07Å |
| 249 | L | 90.9 | Very high | 86.8 | Confident | 54 Ų | 54 | 63 Ų | 63 | 28% | 0.283 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 140.5 | 179.1 | -62.5 | 175.3 | 0 | 0 | 0 | 110.8 | A216 E217 L218 F237 Y238 E239 | A216-L249 HydrophobicContact CB-CD1 4.49Å; A216-L249 PolarHBondContact O-N 3.32Å; E217-L249 CarbonylContact C-O 3.53Å; E217-L249 WeakPolarHBondContact CA-O 3.15Å; E217-L249 HydrophobicContact CG-CB 4.13Å; L218-L249 PolarHBondContact N-O 3.12Å; F237-L249 HydrophobicContact CB-CB 4.29Å; F237-L249 HydrophobicContact CB-CD2 4.45Å; F237-L249 HydrophobicContact CD1-CB 4.05Å; F237-L249 HydrophobicContact CG-CB 4.45Å; Y238-L249 CarbonylContact O-C 3.6Å; Y238-L249 WeakPolarHBondContact O-CA 2.96Å; E239-L249 HydrophobicContact CG-CD2 4.3Å |
| 250 | V | 90.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 117 | -176.6 | 174.9 | 0 | 0 | 0 | 0 | 107.8 | L218 L220 L226 F237 Y238 S252 V255 | L218-V250 HydrophobicContact CB-CG2 4.25Å; L218-V250 HydrophobicContact CD1-CG2 3.73Å; L218-V250 HydrophobicContact CG-CG2 4.44Å; L220-V250 HydrophobicContact CD1-CG1 4.17Å; L220-V250 HydrophobicContact CD2-CG1 4.31Å; L226-V250 HydrophobicContact CD1-CB 4.21Å; L226-V250 HydrophobicContact CD1-CG1 3.63Å; L226-V250 HydrophobicContact CD1-CG2 3.55Å; F237-V250 WeakPolarHBondContact CA-O 3.44Å; Y238-V250 PolarHBondContact N-O 3.21Å; Y238-V250 PolarHBondContact O-N 2.93Å; V250-S252 PolarHBondContact O-N 2.95Å; V250-V255 HydrophobicContact CG1-CB 4.35Å; V250-V255 HydrophobicContact CG1-CG1 3.42Å; V250-V255 VanDerWaalsContact CG1-CG1 3.42Å; V250-V255 HydrophobicContact CG1-CG2 4.01Å |
| 251 | P | 89.9 | Confident | 82.2 | Confident | 10 Ų | 10 | 74.3 Ų | 74.3 | 7% | 0.065 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 124.7 | 178.7 | 23 | -30.5 | 0 | 0 | 0 | 110.8 | Y204 L220 F237 N253 F254 | Y204-P251 HydrophobicContact CD1-CG 3.89Å; Y204-P251 HydrophobicContact CE1-CG 3.82Å; Y204-P251 HydrophobicContact CG-CG 4.32Å; L220-P251 HydrophobicContact CD1-CG 4.32Å; F237-P251 HydrophobicContact CD1-CB 4.06Å; F237-P251 HydrophobicContact CE1-CB 3.81Å; F237-P251 HydrophobicContact CE1-CG 4.43Å; P251-N253 PolarHBondContact O-N 2.9Å; P251-F254 HydrophobicContact CB-CD2 3.87Å; P251-F254 HydrophobicContact CG-CB 4.18Å; P251-F254 HydrophobicContact CG-CD2 3.79Å; P251-F254 HydrophobicContact CG-CG 4.13Å; P251-F254 PolarHBondContact O-N 3.06Å |
| 252 | S | 87.7 | Confident | 79.7 | Confident | 23 Ų | 23 | 80.1 Ų | 80.1 | 16% | 0.161 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -59 | -33.1 | -174 | 59.6 | 0 | 0 | 0 | 0 | 113.9 | G236 V250 F254 V255 | G236-S252 WeakPolarHBondContact O-CB 3.18Å; G236-S252 PolarHBondContact O-N 3.48Å; G236-S252 VanDerWaalsContact O-N 3.12Å; G236-S252 PolarHBondContact O-OG 2.87Å; V250-S252 PolarHBondContact O-N 2.95Å; S252-F254 PolarHBondContact O-N 2.83Å; S252-V255 PolarHBondContact O-N 2.88Å |
| 253 | N | 88.1 | Confident | 77 | Confident | 132 Ų | 132 | 85.5 Ų | 85.5 | 71% | 0.706 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -65.2 | -17.9 | 179.4 | -68.1 | -47.4 | 0 | 0 | 0 | 113.8 | P251 | P251-N253 PolarHBondContact O-N 2.9Š|
| 254 | F | 86.9 | Confident | 74.5 | Confident | 58 Ų | 58 | 86.3 Ų | 86.3 | 25% | 0.254 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -100.6 | -2.1 | -174.3 | -73.8 | -104.8 | 0 | 0 | 0 | 113.2 | A200 R201 Y202 Y204 L220 P251 S252 | A200-F254 CarbonylContact C-O 3.58Å; A200-F254 WeakPolarHBondContact CA-O 3.42Å; R201-F254 PolarHBondContact N-O 2.88Å; Y202-F254 HydrophobicContact CD2-CD1 4.43Å; Y204-F254 HydrophobicContact CD2-CD1 4.29Å; Y204-F254 AromaticContact CD2-CE1 3.89Å; Y204-F254 HydrophobicContact CD2-CE1 3.89Å; Y204-F254 HydrophobicContact CD2-CE2 4.45Å; Y204-F254 AromaticContact CD2-CZ 3.98Å; Y204-F254 HydrophobicContact CD2-CZ 3.98Å; Y204-F254 HydrophobicContact CG-CD1 4.31Å; Y204-F254 HydrophobicContact CG-CE1 4.34Å; L220-F254 HydrophobicContact CD1-CB 3.6Å; P251-F254 HydrophobicContact CB-CD2 3.87Å; P251-F254 HydrophobicContact CG-CB 4.18Å; P251-F254 HydrophobicContact CG-CD2 3.79Å; P251-F254 HydrophobicContact CG-CG 4.13Å; P251-F254 PolarHBondContact O-N 3.06Å; S252-F254 PolarHBondContact O-N 2.83Å |
| 255 | V | 87.3 | Confident | 72.1 | Confident | 13 Ų | 13 | 85.9 Ų | 85.9 | 8% | 0.079 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 147.2 | -174.3 | -63.4 | 0 | 0 | 0 | 0 | 112.3 | C198 V199 L220 L226 Y238 V250 S252 | C198-V255 HydrophobicContact CB-CB 4.12Å; V199-V255 CarbonylContact O-C 3.49Å; V199-V255 WeakPolarHBondContact O-CA 3.12Å; L220-V255 HydrophobicContact CD1-CG1 3.91Å; L226-V255 HydrophobicContact CD1-CG1 4.24Å; L226-V255 HydrophobicContact CD2-CG1 3.93Å; Y238-V255 HydrophobicContact CD2-CG2 4.11Å; Y238-V255 HydrophobicContact CE2-CG2 4.28Å; V250-V255 HydrophobicContact CG1-CB 4.35Å; V250-V255 HydrophobicContact CG1-CG1 3.42Å; V250-V255 VanDerWaalsContact CG1-CG1 3.42Å; V250-V255 HydrophobicContact CG1-CG2 4.01Å; S252-V255 PolarHBondContact O-N 2.88Å |
| 256 | E | 90.7 | Very high | 69.6 | Low | 101 Ų | 101 | 87.8 Ų | 87.8 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 126.6 | 177.6 | -172.8 | 166.4 | -177.9 | 0 | 0 | 109.1 | C198 V199 R201 V258 | C198-E256 CarbonylContact C-O 3.5Å; C198-E256 WeakPolarHBondContact CA-O 3.23Å; V199-E256 HydrophobicContact CG1-CB 4.04Å; V199-E256 PolarHBondContact N-O 2.77Å; V199-E256 PolarHBondContact O-N 2.86Å; R201-E256 HydrophobicContact CG-CB 3.75Å; R201-E256 IonicContact CZ-OE2 3.34Å; R201-E256 IonicContact NE-OE2 2.92Å; R201-E256 PolarHBondContact NE-OE2 2.86Å; E256-V258 PolarHBondContact O-N 3.49Å |
| 257 | F | 87.9 | Confident | 67.2 | Low | 60 Ų | 60 | 92 Ų | 92 | 26% | 0.263 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 128 | 178.8 | -69.4 | -80.3 | 0 | 0 | 0 | 110.1 | R196 C198 V228 Y238 Q259 | R196-F257 HydrophobicContact CB-CD1 3.66Å; R196-F257 HydrophobicContact CB-CE1 3.74Å; R196-F257 HydrophobicContact CG-CD1 4.43Å; R196-F257 HydrophobicContact CG-CE1 4.45Å; C198-F257 WeakPolarHBondContact SG-CD1 3.36Å; C198-F257 WeakPolarHBondContact SG-CE1 3.23Å; V228-F257 HydrophobicContact CB-CE1 4.3Å; V228-F257 HydrophobicContact CG1-CE1 4.14Å; V228-F257 HydrophobicContact CG1-CZ 4.33Å; Y238-F257 HydrophobicContact CE1-CE2 4.48Å; Y238-F257 AromaticContact CE1-CZ 3.9Å; Y238-F257 HydrophobicContact CE1-CZ 3.9Å; Y238-F257 HydrophobicContact CE2-CE2 4.08Å; Y238-F257 AromaticContact CE2-CZ 3.92Å; Y238-F257 HydrophobicContact CE2-CZ 3.92Å; Y238-F257 AromaticContact CZ-CE2 3.8Å; Y238-F257 AromaticContact CZ-CZ 3.61Å; F257-Q259 PolarHBondContact O-N 2.9Å |
| 258 | V | 82 | Confident | 64.4 | Low | 66 Ų | 66 | 94.9 Ų | 94.9 | 40% | 0.4 | 52% | 0.522 | S | S | . | . | trans | -73.8 | 114.8 | 170.1 | -173.8 | 0 | 0 | 0 | 0 | 106.1 | L197 Y225 E256 D260 | L197-V258 HydrophobicContact CD2-CG2 4.41Å; L197-V258 HydrophobicContact CG-CG2 4.3Å; L197-V258 PolarHBondContact O-N 3.17Å; Y225-V258 HydrophobicContact CD1-CG2 4.06Å; Y225-V258 HydrophobicContact CE1-CG2 3.81Å; E256-V258 PolarHBondContact O-N 3.49Å; V258-D260 PolarHBondContact O-N 3.2Å | ||
| 259 | Q | 61 | Low | 61.7 | Low | 177 Ų | 177 | 105.1 Ų | 105.1 | 83% | 0.827 | 56% | 0.555 | S | S | * | * | trans | -62.8 | 119.5 | 177.6 | -71.3 | -178.9 | 14.2 | 0 | 0 | 109.1 | F257 | F257-Q259 PolarHBondContact O-N 2.9Š| ||
| 260 | D | 45.3 | Very low | 58.6 | Low | 165 Ų | 165 | 109.3 Ų | 109.3 | 88% | 0.882 | 58% | 0.577 | S | S | * | * | trans | -76.5 | 114.6 | 155.1 | -104.1 | -17.1 | 0 | 0 | 0 | 106.9 | V258 D262 | V258-D260 PolarHBondContact O-N 3.2Å; D260-D262 PolarHBondContact O-N 3.21Å | ||
| 261 | D | 40.3 | Very low | 55.6 | Low | 149 Ų | 149 | 115.7 Ų | 115.7 | 80% | 0.797 | 62% | 0.616 | S | S | * | * | trans | -60.6 | 107.3 | 160.9 | -106.7 | -34.4 | 0 | 0 | 0 | 108.2 | ||||
| 262 | D | 39.4 | Very low | 52.6 | Low | 149 Ų | 149 | 121.3 Ų | 121.3 | 80% | 0.797 | 65% | 0.651 | S | S | * | * | trans | -160.7 | 88.3 | 143.6 | -97.7 | -28.5 | 0 | 0 | 0 | 111.1 | D260 | D260-D262 PolarHBondContact O-N 3.21Š| ||
| 263 | T | 34.2 | Very low | 49.8 | Very low | 130 Ų | 130 | 126.1 Ų | 126.1 | 80% | 0.798 | 68% | 0.679 | S | S | * | * | trans | 70 | 129.7 | 161 | 66.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 264 | P | 32.8 | Very low | 46.9 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 85% | 0.851 | 69% | 0.686 | S | S | * | * | -127.9 | 144.4 | 81.2 | 35.5 | -25.4 | 0 | 0 | 0 | 114.3 | |||||
| 265 | S | 30.8 | Very low | 43.9 | Very low | 111 Ų | 111 | 135 Ų | 135 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | trans | -56.1 | 136.7 | 174.6 | -161.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 266 | A | 30.4 | Very low | 41.6 | Very low | 79 Ų | 79 | 139.5 Ų | 139.5 | 65% | 0.653 | 74% | 0.743 | S | S | * | * | trans | 62.4 | 107.1 | 141.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 267 | Q | 35.3 | Very low | 38.4 | Very low | 186 Ų | 186 | 137.5 Ų | 137.5 | 87% | 0.869 | 75% | 0.749 | S | S | * | * | 180 | 110.4 | 81.5 | -88.5 | -174.9 | -27.5 | 0 | 0 | 110.9 | |||||
| 268 | H | 30.1 | Very low | 35.5 | Very low | 179 Ų | 179 | 144.6 Ų | 144.6 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | trans | 38.2 | 101.7 | 137.1 | -88.3 | -89 | 0 | 0 | 0 | 119.5 | ||||
| 269 | R | 33 | Very low | 32.8 | Very low | 235 Ų | 235 | 147.3 Ų | 147.3 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | trans | -69.3 | 135.4 | 131.9 | -81.9 | -178.1 | 162 | 166.4 | -3.3 | 109.3 | ||||
| 270 | N | 27.1 | Very low | 31.2 | Very low | 141 Ų | 141 | 144.3 Ų | 144.3 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | 177.2 | 120 | 130.6 | -89.8 | -14.2 | 0 | 0 | 0 | 109.8 | ||||
| 271 | T | 27.2 | Very low | 30.5 | Very low | 134 Ų | 134 | 144.1 Ų | 144.1 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | 161 | 101.6 | 115.8 | 43.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 272 | T | 27.9 | Very low | 29.8 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | 15.3 | 120.5 | 122.3 | -50.8 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 273 | V | 29 | Very low | 29.2 | Very low | 124 Ų | 124 | 140 Ų | 140 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | trans | 72 | 116.9 | 138.8 | -176.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 274 | K | 25.7 | Very low | 28.9 | Very low | 197 Ų | 197 | 142.2 Ų | 142.2 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | 167.2 | 112.4 | 119.5 | -87.9 | -172.3 | -175.6 | 174 | 0 | 111.3 | |||||
| 275 | E | 24.9 | Very low | 28.5 | Very low | 180 Ų | 180 | 139.3 Ų | 139.3 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | trans | -70.1 | 166.2 | 133.3 | -111.8 | -160.6 | 127.1 | 0 | 0 | 107.9 | ||||
| 276 | P | 38.1 | Very low | 29.3 | Very low | 108 Ų | 108 | 140 Ų | 140 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | cis | -142.7 | 172.8 | 21 | 36.7 | -15.5 | 0 | 0 | 0 | 116.3 | ||||
| 277 | G | 23.9 | Very low | 30.3 | Very low | 58 Ų | 58 | 141.1 Ų | 141.1 | 60% | 0.598 | 77% | 0.768 | S | S | * | * | trans | 77.8 | 125.1 | 137.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 278 | Y | 27 | Very low | 29.9 | Very low | 209 Ų | 209 | 142.9 Ų | 142.9 | 82% | 0.82 | 77% | 0.767 | S | S | * | * | 169.5 | 119.3 | 85.8 | -93.7 | -80.6 | 0 | 0 | 0 | 110.1 | |||||
| 279 | L | 26.4 | Very low | 30 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 64% | 0.644 | 77% | 0.765 | S | S | * | * | trans | 58 | 125 | 130.1 | -73.2 | -179.3 | 0 | 0 | 0 | 121.6 | ||||
| 280 | N | 26.2 | Very low | 29.8 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 62% | 0.615 | 76% | 0.762 | S | S | * | * | trans | 77 | 145.2 | 140.4 | -54.3 | -31.6 | 0 | 0 | 0 | 116 | ||||
| 281 | H | 30 | Very low | 30 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | cis | -152.7 | 135.1 | 29.1 | -51.6 | -99.6 | 0 | 0 | 0 | 106.9 | ||||
| 282 | S | 26.7 | Very low | 29.9 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | 41.3 | 131.4 | 105.3 | -63 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 283 | S | 26.1 | Very low | 30.1 | Very low | 100 Ų | 100 | 135 Ų | 135 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | cis | -171.7 | 151.4 | 12.1 | -82.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 284 | L | 27.7 | Very low | 30 | Very low | 175 Ų | 175 | 132.3 Ų | 132.3 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | trans | 4.7 | 130.6 | 141.3 | -66 | 148.1 | 0 | 0 | 0 | 119.2 | ||||
| 285 | G | 26 | Very low | 30.2 | Very low | 71 Ų | 71 | 130.2 Ų | 130.2 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | 138.6 | 154.5 | 128.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 286 | P | 47.7 | Very low | 30.5 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | trans | -122.8 | -142.5 | -145.3 | 35.8 | -13.7 | 0 | 0 | 0 | 111.1 | ||||
| 287 | P | 50.3 | Low | 30.7 | Very low | 103 Ų | 103 | 132.4 Ų | 132.4 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | cis | -127.3 | -177.9 | -43.9 | 22.9 | -0.4 | 0 | 0 | 0 | 113.2 | ||||
| 288 | R | 27.8 | Very low | 30.9 | Very low | 223 Ų | 223 | 134.2 Ų | 134.2 | 84% | 0.842 | 78% | 0.782 | S | S | * | * | trans | 130.2 | 116.8 | 133.3 | -67.7 | -166.6 | 164.4 | -174.6 | -3.8 | 118.5 | ||||
| 289 | H | 30.4 | Very low | 31.2 | Very low | 170 Ų | 170 | 132.7 Ų | 132.7 | 79% | 0.787 | 79% | 0.786 | S | S | * | * | trans | 36.8 | 134.6 | 130.1 | -60.1 | -72.9 | 0 | 0 | 0 | 125.1 | ||||
| 290 | S | 29.2 | Very low | 31.2 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | 153.1 | 153.2 | 115.1 | 52.3 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 291 | S | 30.8 | Very low | 31.2 | Very low | 130 Ų | 130 | 132 Ų | 132 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | cis | -167.8 | 160.3 | 3.4 | -136.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 292 | G | 26.2 | Very low | 31.2 | Very low | 79 Ų | 79 | 131.6 Ų | 131.6 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | trans | 169.4 | 106.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 293 | T | 31.1 | Very low | 31.5 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 95% | 0.951 | 80% | 0.802 | S | S | * | * | trans | -79.5 | 152.9 | -171.2 | 26.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 294 | G | 28.2 | Very low | 31.4 | Very low | 67 Ų | 67 | 133.4 Ų | 133.4 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | trans | 164.5 | 98.1 | 153.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 295 | T | 29.5 | Very low | 31.5 | Very low | 153 Ų | 153 | 133.1 Ų | 133.1 | 94% | 0.939 | 81% | 0.81 | S | S | * | * | trans | 69.4 | 124.3 | 148.3 | 17.4 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 296 | R | 30.6 | Very low | 31.5 | Very low | 222 Ų | 222 | 135.7 Ų | 135.7 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | trans | -94.2 | -179 | 167.6 | -72.2 | 177.7 | 84.2 | 166.3 | 5.4 | 110.5 | ||||
| 297 | P | 43.6 | Very low | 30.6 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | cis | -140.4 | 165.2 | 6.8 | 29.8 | -5 | 0 | 0 | 0 | 119.4 | ||||
| 298 | S | 27.4 | Very low | 29.5 | Very low | 96 Ų | 96 | 139.4 Ų | 139.4 | 67% | 0.671 | 82% | 0.815 | S | S | * | * | trans | 26.3 | 137.3 | 142.9 | -61.8 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 299 | I | 32.4 | Very low | 29.3 | Very low | 177 Ų | 177 | 135.4 Ų | 135.4 | 91% | 0.908 | 81% | 0.81 | S | S | * | * | -153.6 | 139.1 | 117.6 | 35.9 | 172.5 | 0 | 0 | 0 | 111.6 | |||||
| 300 | S | 26.9 | Very low | 28.9 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | -87.5 | 156 | 173.4 | -66 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 301 | S | 26.8 | Very low | 28.8 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 76% | 0.762 | 82% | 0.819 | S | S | * | * | 169 | 108.6 | 129.5 | 60.9 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 302 | L | 30 | Very low | 28.5 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 80% | 0.801 | 81% | 0.81 | S | S | * | * | 72.2 | 107.8 | 85 | -69.7 | 172.8 | 0 | 0 | 0 | 115.1 | |||||
| 303 | V | 31.9 | Very low | 28.4 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 76% | 0.758 | 81% | 0.811 | S | S | * | * | trans | 21.4 | 139.3 | 135.6 | -75.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 304 | S | 25.9 | Very low | 28.1 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 88% | 0.881 | 81% | 0.805 | S | S | * | * | trans | -147.7 | 115.4 | 144 | -72.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 305 | D | 28.7 | Very low | 28.1 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | trans | -69.4 | 149.8 | 155.8 | -92.9 | -42 | 0 | 0 | 0 | 110 | ||||
| 306 | S | 25.8 | Very low | 28.1 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 88% | 0.881 | 81% | 0.807 | S | S | * | * | trans | -151.3 | 123.2 | 154 | 50.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 307 | K | 28.7 | Very low | 27.9 | Very low | 184 Ų | 184 | 132 Ų | 132 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | trans | -112.3 | 147.8 | 178 | -163.8 | -161.3 | 178.3 | -177.2 | 0 | 108.7 | ||||
| 308 | L | 27.7 | Very low | 27.1 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 63% | 0.634 | 81% | 0.814 | S | S | * | * | trans | 104.6 | 120.3 | 152.6 | -59.9 | -179.7 | 0 | 0 | 0 | 120.6 | ||||
| 309 | D | 23.5 | Very low | 27 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 74% | 0.743 | 82% | 0.822 | S | S | * | * | trans | 66.1 | 123.2 | 133.9 | -59.2 | -17.9 | 0 | 0 | 0 | 122.1 | ||||
| 310 | C | 22.6 | Very low | 26.7 | Very low | 137 Ų | 137 | 137.1 Ų | 137.1 | 93% | 0.926 | 82% | 0.817 | S | S | * | * | -170.4 | 135.5 | 116.7 | -96.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 311 | L | 27.5 | Very low | 26.7 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | trans | -73.8 | 150.8 | 172.1 | -66.8 | 152.8 | 0 | 0 | 0 | 112 | ||||
| 312 | S | 23 | Very low | 26.6 | Very low | 104 Ų | 104 | 137.9 Ų | 137.9 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | 148.8 | 115.2 | 122.7 | -64 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 313 | T | 24.5 | Very low | 26.5 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 83% | 0.828 | 82% | 0.824 | S | S | * | * | trans | 38.7 | 121.5 | 136.6 | 52.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 314 | S | 24.8 | Very low | 26.4 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | -175.1 | 140.8 | 112.1 | 58.2 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 315 | S | 27.5 | Very low | 26.5 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 75% | 0.748 | 82% | 0.823 | S | S | * | * | trans | -54.1 | 141.7 | 175.8 | 50.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 316 | L | 31.3 | Very low | 26.5 | Very low | 175 Ų | 175 | 135.6 Ų | 135.6 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | trans | -153.5 | 126.1 | 134.6 | -64.4 | 179.6 | 0 | 0 | 0 | 105 | ||||
| 317 | G | 25.5 | Very low | 26.8 | Very low | 79 Ų | 79 | 133.1 Ų | 133.1 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | cis | 89.9 | 69.3 | 37.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 318 | M | 27.2 | Very low | 26.8 | Very low | 185 Ų | 185 | 130.3 Ų | 130.3 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | trans | -153.2 | 92.2 | 164 | -148 | -175.1 | -160.6 | 0 | 0 | 111.8 | ||||
| 319 | D | 25.1 | Very low | 27.2 | Very low | 157 Ų | 157 | 128.8 Ų | 128.8 | 84% | 0.84 | 83% | 0.829 | S | S | * | * | trans | -76.4 | 131.8 | 151.3 | -74 | -44.9 | 0 | 0 | 0 | 108.4 | ||||
| 320 | L | 25.1 | Very low | 27.5 | Very low | 152 Ų | 152 | 127.3 Ų | 127.3 | 80% | 0.796 | 83% | 0.825 | S | S | * | * | trans | 180 | 99.2 | 140.6 | -101.6 | 148.4 | 0 | 0 | 0 | 112.3 | ||||
| 321 | L | 28.2 | Very low | 28.2 | Very low | 167 Ų | 167 | 127.8 Ų | 127.8 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | 18.2 | 130.1 | 130.6 | -58.1 | 168.5 | 0 | 0 | 0 | 119.4 | ||||
| 322 | G | 25 | Very low | 28.7 | Very low | 72 Ų | 72 | 125.6 Ų | 125.6 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | trans | 109 | 99.4 | 134 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 323 | S | 27.5 | Very low | 29.7 | Very low | 127 Ų | 127 | 123.7 Ų | 123.7 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | -150.2 | 98.4 | 142.6 | -86.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 324 | S | 29.5 | Very low | 30.4 | Very low | 123 Ų | 123 | 119.2 Ų | 119.2 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | -83.3 | 124.7 | 160 | -30.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 325 | S | 27.1 | Very low | 31.5 | Very low | 109 Ų | 109 | 119.9 Ų | 119.9 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | -155.9 | 104 | 152.2 | 67 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 326 | N | 29 | Very low | 32.3 | Very low | 164 Ų | 164 | 122.4 Ų | 122.4 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | trans | 25.7 | 126.7 | 144.7 | -60.9 | 17 | 0 | 0 | 0 | 120.6 | ||||
| 327 | G | 33.4 | Very low | 33 | Very low | 75 Ų | 75 | 118.9 Ų | 118.9 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | 95.4 | 63.1 | 121.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 328 | T | 28.6 | Very low | 34.2 | Very low | 125 Ų | 125 | 116.7 Ų | 116.7 | 77% | 0.767 | 71% | 0.712 | S | S | * | * | trans | -159 | 129 | 152.1 | -29 | 0 | 0 | 0 | 0 | 109.7 | T330 | T328-T330 PolarHBondContact O-N 3.09Š| ||
| 329 | G | 34.7 | Very low | 35.4 | Very low | 89 Ų | 89 | 109.6 Ų | 109.6 | 92% | 0.918 | 69% | 0.687 | S | S | * | * | trans | -70.7 | 69.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 330 | T | 29.8 | Very low | 37 | Very low | 107 Ų | 107 | 110.9 Ų | 110.9 | 66% | 0.656 | 69% | 0.688 | S | S | * | * | trans | -94.9 | 123.4 | 167.4 | 65.9 | 0 | 0 | 0 | 0 | 108.4 | T328 D332 | T328-T330 PolarHBondContact O-N 3.09Å; T330-D332 PolarHBondContact O-N 2.86Å | ||
| 331 | L | 38.2 | Very low | 39.1 | Very low | 148 Ų | 148 | 109.4 Ų | 109.4 | 78% | 0.775 | 68% | 0.681 | S | S | * | * | trans | -51.6 | 101.3 | 174 | -74 | 161.7 | 0 | 0 | 0 | 110.3 | V333 | L331-V333 PolarHBondContact O-N 2.89Š| ||
| 332 | D | 36.7 | Very low | 41.7 | Very low | 118 Ų | 118 | 104 Ų | 104 | 63% | 0.631 | 65% | 0.652 | S | S | * | * | trans | -78.9 | 93.1 | -174.6 | -179 | 32 | 0 | 0 | 0 | 110.4 | T330 S334 K479 | T330-D332 PolarHBondContact O-N 2.86Å; D332-S334 PolarHBondContact O-N 3.26Å; D332-K479 PolarHBondContact O-NZ 2.66Å | ||
| 333 | V | 45.6 | Very low | 44.7 | Very low | 65 Ų | 65 | 101.7 Ų | 101.7 | 39% | 0.394 | 62% | 0.624 | S | S | . | * | trans | -85.3 | 96.1 | 156.8 | -178.7 | 0 | 0 | 0 | 0 | 105.8 | L331 I335 | L331-V333 PolarHBondContact O-N 2.89Å; V333-I335 PolarHBondContact O-N 3.08Å; V333-I335 VanDerWaalsContact O-N 3.08Å | ||
| 334 | S | 38.9 | Very low | 47.8 | Very low | 41 Ų | 41 | 96 Ų | 96 | 29% | 0.287 | 58% | 0.583 | S | S | . | * | trans | -46.6 | 115.1 | 161.8 | 47.6 | 0 | 0 | 0 | 0 | 108.6 | D332 D336 E337 | D332-S334 PolarHBondContact O-N 3.26Å; S334-D336 PolarHBondContact O-N 3.14Å; S334-E337 PolarHBondContact O-N 2.94Å; S334-E337 VanDerWaalsContact O-N 3.16Å | ||
| 335 | I | 46.8 | Very low | 50.8 | Low | 132 Ų | 132 | 92 Ų | 92 | 68% | 0.677 | 55% | 0.55 | S | S | * | . | G | 310 helix | trans | -53.1 | -20.4 | 178.1 | -69.4 | 167.2 | 0 | 0 | 0 | 111.5 | V333 E337 V338 | V333-I335 PolarHBondContact O-N 3.08Å; V333-I335 VanDerWaalsContact O-N 3.08Å; I335-E337 PolarHBondContact O-N 2.85Å; I335-E337 VanDerWaalsContact O-N 3.16Å; I335-V338 PolarHBondContact O-N 2.83Å |
| 336 | D | 44.9 | Very low | 54 | Low | 160 Ų | 160 | 86.8 Ų | 86.8 | 86% | 0.856 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -57.5 | -20.4 | 174.7 | -84 | 1.8 | 0 | 0 | 0 | 116 | S334 | S334-D336 PolarHBondContact O-N 3.14Š|
| 337 | E | 47.3 | Very low | 57.1 | Low | 101 Ų | 101 | 82.6 Ų | 82.6 | 47% | 0.472 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -96.7 | -10.5 | 179.8 | -148.9 | -176.8 | 170.3 | 0 | 0 | 113.4 | S334 I335 G339 | S334-E337 PolarHBondContact O-N 2.94Å; S334-E337 VanDerWaalsContact O-N 3.16Å; I335-E337 PolarHBondContact O-N 2.85Å; I335-E337 VanDerWaalsContact O-N 3.16Å; E337-G339 PolarHBondContact O-N 3.18Å |
| 338 | V | 49.2 | Very low | 59.8 | Low | 33 Ų | 33 | 86.1 Ų | 86.1 | 20% | 0.2 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -94.7 | 86.2 | 170.2 | -176.7 | 0 | 0 | 0 | 0 | 106.6 | I335 E340 I342 P369 | I335-V338 PolarHBondContact O-N 2.83Å; V338-E340 PolarHBondContact O-N 3.34Å; V338-I342 HydrophobicContact CG1-CB 4.39Å; V338-P369 HydrophobicContact CG1-CG 3.94Å |
| 339 | G | 53.1 | Low | 63 | Low | 37 Ų | 37 | 80.2 Ų | 80.2 | 38% | 0.381 | 44% | 0.439 | S | S | . | . | trans | -49.1 | 144.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | E337 D341 I342 | E337-G339 PolarHBondContact O-N 3.18Å; G339-D341 PolarHBondContact O-N 3.28Å; G339-I342 PolarHBondContact O-N 2.73Å | ||
| 340 | E | 59.3 | Low | 65.8 | Low | 183 Ų | 183 | 79.6 Ų | 79.6 | 86% | 0.855 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -6.5 | -173.6 | -64.9 | -171.7 | 157.8 | 0 | 0 | 114.6 | V338 W372 | V338-E340 PolarHBondContact O-N 3.34Å; E340-W372 WeakPolarHBondContact O-CZ2 3.41Å |
| 341 | D | 67.6 | Low | 68.9 | Low | 122 Ų | 122 | 75.6 Ų | 75.6 | 65% | 0.652 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.5 | 8.8 | 180 | -155.5 | 35.9 | 0 | 0 | 0 | 115.3 | G339 W372 R420 | G339-D341 PolarHBondContact O-N 3.28Å; D341-W372 VanDerWaalsContact C-CZ2 3.42Å; D341-R420 IonicContact OD1-NH1 3.93Å; D341-R420 PolarHBondContact OD1-NH1 2.78Å |
| 342 | I | 83.3 | Confident | 71.5 | Confident | 52 Ų | 52 | 72 Ų | 72 | 27% | 0.267 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -85.4 | 116 | 173.8 | -56.7 | 179.3 | 0 | 0 | 0 | 111.4 | V338 G339 P344 W372 | V338-I342 HydrophobicContact CG1-CB 4.39Å; G339-I342 PolarHBondContact O-N 2.73Å; I342-P344 WeakPolarHBondContact O-CD 3.46Å; I342-W372 VanDerWaalsContact N-CZ2 3.32Å; I342-W372 VanDerWaalsContact O-CH2 3.23Å; I342-W372 WeakPolarHBondContact O-CH2 3.49Å; I342-W372 WeakPolarHBondContact O-CZ2 3.31Å |
| 343 | V | 89.1 | Confident | 74.2 | Confident | 25 Ų | 25 | 72 Ų | 72 | 15% | 0.152 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 123.5 | 177.9 | -177.2 | 0 | 0 | 0 | 0 | 111.3 | Y345 W372 T418 R420 | V343-Y345 PolarHBondContact O-N 2.9Å; V343-W372 HydrophobicContact CB-CZ3 4.32Å; V343-W372 HydrophobicContact CG2-CH2 4.31Å; V343-W372 HydrophobicContact CG2-CZ3 4.1Å; V343-T418 HydrophobicContact CG1-CG2 3.79Å; V343-R420 HydrophobicContact CG2-CB 4.4Å |
| 344 | P | 91.3 | Very high | 76.4 | Confident | 6 Ų | 6 | 73.2 Ų | 73.2 | 4% | 0.039 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 126.3 | -178.5 | -27.3 | 33.4 | 0 | 0 | 0 | 111.9 | I342 P366 L368 W372 S416 | I342-P344 WeakPolarHBondContact O-CD 3.46Å; P344-P366 HydrophobicContact CB-CB 3.77Å; P344-P366 HydrophobicContact CB-CG 4.43Å; P344-L368 HydrophobicContact CB-CD2 4.03Å; P344-L368 HydrophobicContact CG-CD2 3.95Å; P344-W372 HydrophobicContact CG-CB 4.18Å; P344-W372 HydrophobicContact CG-CD2 3.76Å; P344-W372 HydrophobicContact CG-CE3 3.97Å; P344-W372 HydrophobicContact CG-CG 3.85Å; P344-S416 VanDerWaalsContact O-CB 3.3Å; P344-S416 WeakPolarHBondContact O-CB 3.19Å; P344-S416 PolarHBondContact O-OG 2.83Å |
| 345 | Y | 92.9 | Very high | 79 | Confident | 39 Ų | 39 | 74.5 Ų | 74.5 | 15% | 0.153 | 37% | 0.369 | C | S | . | . | trans | -109.8 | 146.5 | -173.1 | 53.2 | -82.4 | 0 | 0 | 0 | 112.3 | V343 R347 P366 R427 | V343-Y345 PolarHBondContact O-N 2.9Å; Y345-R347 HydrophobicContact CD2-CG 4.39Å; Y345-R347 HydrophobicContact CE2-CG 4.32Å; Y345-P366 VanDerWaalsContact O-CA 3.31Å; Y345-P366 WeakPolarHBondContact O-CA 3.43Å; Y345-P366 VanDerWaalsContact O-CB 3.23Å; Y345-P366 WeakPolarHBondContact O-CB 3.49Å; Y345-R427 HydrophobicContact CD1-CB 4.3Å; Y345-R427 HydrophobicContact CD1-CG 4.49Å; Y345-R427 HydrophobicContact CD2-CB 3.53Å; Y345-R427 HydrophobicContact CD2-CG 4.43Å; Y345-R427 HydrophobicContact CE2-CB 3.94Å; Y345-R427 HydrophobicContact CG-CB 3.71Å; Y345-R427 HydrophobicContact CG-CG 4.37Å; Y345-R427 PolarHBondContact OH-NH1 3.4Å | ||
| 346 | P | 94.8 | Very high | 81 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | trans | -58.7 | 155.8 | 174 | -17.6 | 31.5 | 0 | 0 | 0 | 110.6 | W363 D364 Y378 V414 C428 | P346-W363 HydrophobicContact CB-CG 4.39Å; P346-D364 WeakPolarHBondContact CA-O 3.26Å; P346-Y378 HydrophobicContact CB-CD1 4.41Å; P346-Y378 HydrophobicContact CB-CE1 4.31Å; P346-Y378 HydrophobicContact CG-CD1 3.66Å; P346-Y378 HydrophobicContact CG-CE1 3.84Å; P346-V414 HydrophobicContact CB-CG1 4.29Å; P346-V414 HydrophobicContact CG-CB 4.42Å; P346-V414 HydrophobicContact CG-CG1 3.96Å; P346-C428 VanDerWaalsContact C-SG 3.54Å; P346-C428 HydrophobicContact CB-CB 4.33Å; P346-C428 WeakPolarHBondContact O-CB 3.36Å; P346-C428 PolarHBondContact O-SG 3.25Å | ||
| 347 | R | 92.9 | Very high | 83.3 | Confident | 77 Ų | 77 | 72.2 Ų | 72.2 | 29% | 0.291 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 167.6 | -174.9 | -59.4 | -177.3 | -60.5 | 155.8 | 2.2 | 111.2 | Y345 I349 D364 V367 | Y345-R347 HydrophobicContact CD2-CG 4.39Å; Y345-R347 HydrophobicContact CE2-CG 4.32Å; R347-I349 VanDerWaalsContact C-N 3.32Å; R347-I349 PolarHBondContact O-N 3.32Å; R347-D364 HydrophobicContact CB-CB 4.46Å; R347-D364 PolarHBondContact N-O 3.13Å; R347-D364 PolarHBondContact O-N 3.16Å; R347-V367 VanDerWaalsContact NH2-CG2 3.29Å |
| 348 | R | 91.7 | Very high | 85.6 | Confident | 149 Ų | 149 | 68.3 Ų | 68.3 | 56% | 0.562 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.6 | 46.3 | 168.8 | -65.9 | -179.8 | 55.9 | -149.1 | 10.4 | 113.3 | N350 D364 N463 | R348-N350 PolarHBondContact O-N 3.46Å; R348-D364 HydrophobicContact CB-CB 4.32Å; R348-D364 WeakPolarHBondContact CD-OD2 3.22Å; R348-D364 IonicContact CZ-OD2 3.89Å; R348-D364 IonicContact NE-OD2 3.99Å; R348-D364 PolarHBondContact NE-OD2 3.04Å; R348-D364 IonicContact NH1-OD2 2.72Å; R348-D364 PolarHBondContact NH1-OD2 3.45Å; R348-N463 VanDerWaalsContact CA-OD1 3.27Å; R348-N463 WeakPolarHBondContact CA-OD1 3.18Å |
| 349 | I | 95.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 127 | 175.1 | -171.4 | 173.4 | 0 | 0 | 0 | 109.9 | R347 G362 V414 L430 N463 | R347-I349 VanDerWaalsContact C-N 3.32Å; R347-I349 PolarHBondContact O-N 3.32Å; I349-G362 CarbonylContact C-O 3.58Å; I349-G362 WeakPolarHBondContact CA-O 3.36Å; I349-V414 HydrophobicContact CD1-CG2 3.9Å; I349-L430 HydrophobicContact CB-CD2 4.45Å; I349-L430 HydrophobicContact CD1-CD2 4.19Å; I349-L430 HydrophobicContact CD1-CG 4.01Å; I349-L430 HydrophobicContact CG1-CD2 3.81Å; I349-L430 HydrophobicContact CG1-CG 4.2Å; I349-L430 HydrophobicContact CG2-CB 4.39Å; I349-L430 HydrophobicContact CG2-CD2 4.16Å; I349-L430 HydrophobicContact CG2-CG 4.42Å; I349-N463 PolarHBondContact N-OD1 2.81Å; I349-N463 PolarHBondContact O-ND2 2.93Å |
| 350 | N | 93.6 | Very high | 90 | Very high | 76 Ų | 76 | 67.4 Ų | 67.4 | 41% | 0.406 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 137.3 | -178.1 | 72.6 | -32.5 | 0 | 0 | 0 | 112 | R348 I352 I361 G362 | R348-N350 PolarHBondContact O-N 3.46Å; N350-I352 PolarHBondContact O-N 3.15Å; N350-I361 CarbonylContact O-C 3.6Å; N350-I361 VanDerWaalsContact O-CA 3.26Å; N350-I361 WeakPolarHBondContact O-CA 3.39Å; N350-G362 PolarHBondContact N-O 3.49Å; N350-G362 PolarHBondContact O-N 3.48Å; N350-G362 WeakPolarHBondContact OD1-CA 3.32Å; N350-G362 PolarHBondContact OD1-N 3.01Å; N350-G362 VanDerWaalsContact OD1-N 3.14Å; N350-G362 PolarHBondContact OD1-O 3.31Å |
| 351 | L | 93.9 | Very high | 91.8 | Very high | 24 Ų | 24 | 58.7 Ų | 58.7 | 13% | 0.126 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 102.1 | 168.6 | -179 | 62 | 0 | 0 | 0 | 108.4 | Q354 V359 I361 L430 V432 Q510 | L351-Q354 HydrophobicContact CD2-CB 4.28Å; L351-V359 HydrophobicContact CD1-CB 4Å; L351-V359 HydrophobicContact CD1-CG1 4.22Å; L351-I361 HydrophobicContact CD1-CG2 4.44Å; L351-L430 HydrophobicContact CB-CD2 4.23Å; L351-V432 HydrophobicContact CD1-CG1 3.97Å; L351-V432 HydrophobicContact CD2-CG1 4.03Å; L351-Q510 PolarHBondContact O-NE2 2.82Å |
| 352 | I | 93.9 | Very high | 93.2 | Very high | 73 Ų | 73 | 52.9 Ų | 52.9 | 37% | 0.374 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | -45.9 | 179.7 | -60.6 | 176.9 | 0 | 0 | 0 | 109.7 | N350 I360 K397 | N350-I352 PolarHBondContact O-N 3.15Å; I352-I360 WeakPolarHBondContact CA-O 3.3Å; I352-I360 HydrophobicContact CB-CB 4.25Å; I352-I360 HydrophobicContact CB-CG2 4Å; I352-I360 WeakPolarHBondContact CB-O 3.25Å; I352-I360 HydrophobicContact CD1-CG2 4.14Å; I352-I360 HydrophobicContact CG2-CG2 4.29Å; I352-I360 PolarHBondContact N-O 3.33Å; I352-K397 HydrophobicContact CD1-CD 3.75Å; I352-K397 HydrophobicContact CD1-CG 3.94Å |
| 353 | K | 92.5 | Very high | 93.8 | Very high | 118 Ų | 118 | 50.6 Ų | 50.6 | 51% | 0.513 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 134.8 | 179.2 | -163.8 | 166.1 | -172.8 | 173.6 | 0 | 111.6 | L355 V359 I360 | K353-L355 HydrophobicContact CD-CD2 3.93Å; K353-L355 HydrophobicContact CG-CD2 4.05Å; K353-L355 HydrophobicContact CG-CG 4.4Å; K353-V359 CarbonylContact O-C 3.41Å; K353-V359 WeakPolarHBondContact O-CA 3.33Å; K353-I360 HydrophobicContact CB-CB 4.25Å; K353-I360 HydrophobicContact CB-CD1 4.19Å; K353-I360 HydrophobicContact CB-CG1 4.38Å; K353-I360 PolarHBondContact N-O 2.87Å; K353-I360 PolarHBondContact O-N 3.31Å |
| 354 | Q | 92.7 | Very high | 94.1 | Very high | 90 Ų | 90 | 51.7 Ų | 51.7 | 42% | 0.421 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 123.1 | 168.5 | -173 | 163.2 | -52.5 | 0 | 0 | 109.4 | L351 V359 L405 | L351-Q354 HydrophobicContact CD2-CB 4.28Å; Q354-V359 HydrophobicContact CG-CG1 4.17Å; Q354-L405 HydrophobicContact CG-CD1 3.48Å; Q354-L405 VanDerWaalsContact CG-CD1 3.48Å |
| 355 | L | 92.8 | Very high | 94.1 | Very high | 67 Ų | 67 | 54.3 Ų | 54.3 | 35% | 0.351 | 27% | 0.27 | S | S | . | . | trans | -110 | 170.2 | 176.5 | -57.8 | 171 | 0 | 0 | 0 | 109 | K353 K357 S358 L405 | K353-L355 HydrophobicContact CD-CD2 3.93Å; K353-L355 HydrophobicContact CG-CD2 4.05Å; K353-L355 HydrophobicContact CG-CG 4.4Å; L355-K357 PolarHBondContact O-N 2.67Å; L355-K357 VanDerWaalsContact O-N 3.15Å; L355-S358 CarbonylContact C-O 3.53Å; L355-S358 WeakPolarHBondContact CA-O 3.38Å; L355-S358 VanDerWaalsContact CB-O 3.32Å; L355-S358 WeakPolarHBondContact CB-O 3.18Å; L355-S358 WeakPolarHBondContact CB-OG 3.12Å; L355-S358 VanDerWaalsContact CD1-OG 3.23Å; L355-S358 WeakPolarHBondContact CD1-OG 3.36Å; L355-S358 PolarHBondContact N-O 2.8Å; L355-L405 WeakPolarHBondContact O-CD1 3.4Å | ||
| 356 | A | 88.9 | Confident | 94 | Very high | 88 Ų | 88 | 52.9 Ų | 52.9 | 73% | 0.727 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -58.4 | -32.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 357 | K | 93.7 | Very high | 93.6 | Very high | 157 Ų | 157 | 57 Ų | 57 | 68% | 0.683 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -133.2 | 11.9 | -176.2 | -61.8 | -176 | 179.7 | 179 | 0 | 114.5 | L355 K402 L403 | L355-K357 PolarHBondContact O-N 2.67Å; L355-K357 VanDerWaalsContact O-N 3.15Å; K357-K402 PolarHBondContact O-N 3.21Å; K357-K402 VanDerWaalsContact O-N 3.12Å; K357-L403 CarbonylContact C-O 3.5Å; K357-L403 WeakPolarHBondContact CA-O 3.23Å; K357-L403 PolarHBondContact O-N 3.25Å |
| 358 | S | 95.8 | Very high | 93.2 | Very high | 18 Ų | 18 | 56.7 Ų | 56.7 | 13% | 0.126 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 163.4 | -174.6 | 54.1 | 0 | 0 | 0 | 0 | 111.3 | L355 I400 | L355-S358 CarbonylContact C-O 3.53Å; L355-S358 WeakPolarHBondContact CA-O 3.38Å; L355-S358 VanDerWaalsContact CB-O 3.32Å; L355-S358 WeakPolarHBondContact CB-O 3.18Å; L355-S358 WeakPolarHBondContact CB-OG 3.12Å; L355-S358 VanDerWaalsContact CD1-OG 3.23Å; L355-S358 WeakPolarHBondContact CD1-OG 3.36Å; L355-S358 PolarHBondContact N-O 2.8Å; S358-I400 CarbonylContact C-O 3.59Å; S358-I400 WeakPolarHBondContact CA-O 3.45Å; S358-I400 WeakPolarHBondContact CB-O 3.5Å |
| 359 | V | 96.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 149 | 175.9 | -61.1 | 0 | 0 | 0 | 0 | 110.6 | L351 K353 Q354 I361 L399 I400 L403 L405 I412 V432 | L351-V359 HydrophobicContact CD1-CB 4Å; L351-V359 HydrophobicContact CD1-CG1 4.22Å; K353-V359 CarbonylContact O-C 3.41Å; K353-V359 WeakPolarHBondContact O-CA 3.33Å; Q354-V359 HydrophobicContact CG-CG1 4.17Å; V359-I361 HydrophobicContact CG2-CG2 4.44Å; V359-L399 WeakPolarHBondContact O-CA 3.39Å; V359-I400 HydrophobicContact CG2-CB 3.91Å; V359-I400 HydrophobicContact CG2-CD1 4.07Å; V359-I400 HydrophobicContact CG2-CG1 4.44Å; V359-I400 PolarHBondContact N-O 3.05Å; V359-I400 PolarHBondContact O-N 3.46Å; V359-L403 HydrophobicContact CG1-CD1 4.21Å; V359-L403 HydrophobicContact CG2-CD1 3.73Å; V359-L405 HydrophobicContact CG1-CD1 3.51Å; V359-L405 HydrophobicContact CG1-CD2 4.39Å; V359-I412 HydrophobicContact CG2-CD1 3.48Å; V359-I412 VanDerWaalsContact CG2-CD1 3.48Å; V359-V432 HydrophobicContact CG1-CB 4.45Å; V359-V432 HydrophobicContact CG1-CG2 4.23Å |
| 360 | I | 96.6 | Very high | 91.6 | Very high | 51 Ų | 51 | 57.2 Ų | 57.2 | 26% | 0.262 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 121.1 | 171.5 | -54.9 | 176.4 | 0 | 0 | 0 | 107 | I352 K353 S398 L399 | I352-I360 WeakPolarHBondContact CA-O 3.3Å; I352-I360 HydrophobicContact CB-CB 4.25Å; I352-I360 HydrophobicContact CB-CG2 4Å; I352-I360 WeakPolarHBondContact CB-O 3.25Å; I352-I360 HydrophobicContact CD1-CG2 4.14Å; I352-I360 HydrophobicContact CG2-CG2 4.29Å; I352-I360 PolarHBondContact N-O 3.33Å; K353-I360 HydrophobicContact CB-CB 4.25Å; K353-I360 HydrophobicContact CB-CD1 4.19Å; K353-I360 HydrophobicContact CB-CG1 4.38Å; K353-I360 PolarHBondContact N-O 2.87Å; K353-I360 PolarHBondContact O-N 3.31Å; I360-S398 WeakPolarHBondContact CA-O 3.19Å; I360-L399 HydrophobicContact CG1-CD1 3.77Å |
| 361 | I | 97 | Very high | 90.6 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 155.6 | 175.6 | 58.8 | 151.8 | 0 | 0 | 0 | 110.8 | N350 L351 V359 W363 V380 K397 S398 I400 I412 V414 | N350-I361 CarbonylContact O-C 3.6Å; N350-I361 VanDerWaalsContact O-CA 3.26Å; N350-I361 WeakPolarHBondContact O-CA 3.39Å; L351-I361 HydrophobicContact CD1-CG2 4.44Å; V359-I361 HydrophobicContact CG2-CG2 4.44Å; I361-W363 HydrophobicContact CD1-CE3 3.97Å; I361-W363 HydrophobicContact CD1-CZ3 3.75Å; I361-W363 HydrophobicContact CG1-CE3 4.46Å; I361-W363 HydrophobicContact CG1-CZ3 4.14Å; I361-V380 HydrophobicContact CD1-CG1 3.9Å; I361-K397 CarbonylContact O-C 3.5Å; I361-K397 VanDerWaalsContact O-CA 3.25Å; I361-K397 WeakPolarHBondContact O-CA 3.21Å; I361-S398 PolarHBondContact N-O 3.22Å; I361-S398 PolarHBondContact O-N 3.45Å; I361-I400 HydrophobicContact CD1-CD1 4.08Å; I361-I400 HydrophobicContact CG1-CD1 4.06Å; I361-I412 HydrophobicContact CD1-CG2 3.72Å; I361-I412 HydrophobicContact CG2-CD1 4.2Å; I361-I412 HydrophobicContact CG2-CG2 4.33Å; I361-V414 HydrophobicContact CD1-CG2 3.84Å |
| 362 | G | 96.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 166.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | I349 N350 T396 | I349-G362 CarbonylContact C-O 3.58Å; I349-G362 WeakPolarHBondContact CA-O 3.36Å; N350-G362 PolarHBondContact N-O 3.49Å; N350-G362 PolarHBondContact O-N 3.48Å; N350-G362 WeakPolarHBondContact OD1-CA 3.32Å; N350-G362 PolarHBondContact OD1-N 3.01Å; N350-G362 VanDerWaalsContact OD1-N 3.14Å; N350-G362 PolarHBondContact OD1-O 3.31Å; G362-T396 CarbonylContact C-O 3.45Å; G362-T396 WeakPolarHBondContact CA-O 3.31Å |
| 363 | W | 96.4 | Very high | 88.8 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.015 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 166 | 175.7 | 60.2 | 93.5 | 0 | 0 | 0 | 110.6 | P346 I361 Y378 V380 V390 T396 S398 V414 | P346-W363 HydrophobicContact CB-CG 4.39Å; I361-W363 HydrophobicContact CD1-CE3 3.97Å; I361-W363 HydrophobicContact CD1-CZ3 3.75Å; I361-W363 HydrophobicContact CG1-CE3 4.46Å; I361-W363 HydrophobicContact CG1-CZ3 4.14Å; W363-Y378 HydrophobicContact CZ2-CD2 4.07Å; W363-Y378 HydrophobicContact CZ2-CG 4.05Å; W363-Y378 AromaticContact NE1-CD1 3.65Å; W363-Y378 AromaticContact NE1-CD2 3.75Å; W363-Y378 AromaticContact NE1-CE1 3.78Å; W363-Y378 AromaticContact NE1-CE2 3.88Å; W363-Y378 AromaticContact NE1-CG 3.62Å; W363-Y378 AromaticContact NE1-CZ 3.89Å; W363-V380 HydrophobicContact CH2-CG2 3.68Å; W363-V380 HydrophobicContact CZ2-CG2 4.47Å; W363-V380 HydrophobicContact CZ3-CG2 4.04Å; W363-V390 HydrophobicContact CH2-CG2 4.08Å; W363-V390 HydrophobicContact CZ2-CB 4.39Å; W363-V390 HydrophobicContact CZ2-CG2 4.32Å; W363-T396 PolarHBondContact N-O 3.14Å; W363-T396 WeakPolarHBondContact O-CB 3.13Å; W363-T396 PolarHBondContact O-OG1 3.09Å; W363-S398 WeakPolarHBondContact CH2-OG 3.23Å; W363-V414 HydrophobicContact CD2-CB 4.48Å; W363-V414 HydrophobicContact CD2-CG1 3.86Å; W363-V414 HydrophobicContact CD2-CG2 4.12Å; W363-V414 HydrophobicContact CE3-CG1 4.31Å; W363-V414 HydrophobicContact CE3-CG2 3.86Å; W363-V414 HydrophobicContact CG-CG1 4.18Å; W363-V414 HydrophobicContact CH2-CG1 4.49Å; W363-V414 HydrophobicContact CZ2-CG1 4.08Å; W363-V414 HydrophobicContact CZ3-CG2 4.23Å |
| 364 | D | 94.8 | Very high | 88.4 | Confident | 47 Ų | 47 | 54.9 Ų | 54.9 | 25% | 0.251 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 148.4 | 171.7 | -70.8 | -7.2 | 0 | 0 | 0 | 110.5 | P346 R347 R348 | P346-D364 WeakPolarHBondContact CA-O 3.26Å; R347-D364 HydrophobicContact CB-CB 4.46Å; R347-D364 PolarHBondContact N-O 3.13Å; R347-D364 PolarHBondContact O-N 3.16Å; R348-D364 HydrophobicContact CB-CB 4.32Å; R348-D364 WeakPolarHBondContact CD-OD2 3.22Å; R348-D364 IonicContact CZ-OD2 3.89Å; R348-D364 IonicContact NE-OD2 3.99Å; R348-D364 PolarHBondContact NE-OD2 3.04Å; R348-D364 IonicContact NH1-OD2 2.72Å; R348-D364 PolarHBondContact NH1-OD2 3.45Å |
| 365 | P | 92.4 | Very high | 88.3 | Confident | 61 Ų | 61 | 51 Ų | 51 | 40% | 0.396 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 152.6 | 173.8 | 27.1 | -34.2 | 0 | 0 | 0 | 111.7 | Y378 | P365-Y378 WeakPolarHBondContact CB-OH 3.5Š|
| 366 | P | 91.3 | Very high | 88.2 | Confident | 10 Ų | 10 | 51.4 Ų | 51.4 | 7% | 0.065 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 151.4 | 172.5 | 22.4 | -31.9 | 0 | 0 | 0 | 111.8 | P344 Y345 I375 | P344-P366 HydrophobicContact CB-CB 3.77Å; P344-P366 HydrophobicContact CB-CG 4.43Å; Y345-P366 VanDerWaalsContact O-CA 3.31Å; Y345-P366 WeakPolarHBondContact O-CA 3.43Å; Y345-P366 VanDerWaalsContact O-CB 3.23Å; Y345-P366 WeakPolarHBondContact O-CB 3.49Å; P366-I375 HydrophobicContact CB-CD1 4.3Å; P366-I375 HydrophobicContact CG-CD1 3.13Å |
| 367 | V | 86.3 | Confident | 88.5 | Confident | 86 Ų | 86 | 47.3 Ų | 47.3 | 52% | 0.521 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 127.3 | 161.5 | -173.4 | 0 | 0 | 0 | 0 | 107.2 | R347 P369 | R347-V367 VanDerWaalsContact NH2-CG2 3.29Å; V367-P369 WeakPolarHBondContact O-CD 3.25Å |
| 368 | L | 83.3 | Confident | 88.6 | Confident | 71 Ų | 71 | 40 Ų | 40 | 37% | 0.372 | 27% | 0.273 | S | S | . | . | trans | -94.8 | 112.4 | 177.8 | -71 | 174.4 | 0 | 0 | 0 | 109.2 | P344 I375 | P344-L368 HydrophobicContact CB-CD2 4.03Å; P344-L368 HydrophobicContact CG-CD2 3.95Å; L368-I375 HydrophobicContact CD1-CD1 4.31Å; L368-I375 HydrophobicContact CD2-CD1 3.52Å; L368-I375 HydrophobicContact CD2-CG1 4Å; L368-I375 HydrophobicContact CG-CD1 4.17Å | ||
| 369 | P | 78 | Confident | 88.7 | Confident | 30 Ų | 30 | 40.4 Ų | 40.4 | 20% | 0.195 | 27% | 0.273 | C | S | . | . | trans | -66.5 | 154.5 | 169 | -9.8 | 24.2 | 0 | 0 | 0 | 110.2 | V338 V367 G371 W372 | V338-P369 HydrophobicContact CG1-CG 3.94Å; V367-P369 WeakPolarHBondContact O-CD 3.25Å; P369-G371 PolarHBondContact O-N 3Å; P369-W372 HydrophobicContact CG-CG 4.4Å; P369-W372 PolarHBondContact O-N 3.36Å | ||
| 370 | P | 75.2 | Confident | 88.7 | Confident | 129 Ų | 129 | 40.4 Ų | 40.4 | 84% | 0.838 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 130.9 | 176.4 | -24.1 | 33.8 | 0 | 0 | 0 | 111.4 | ||
| 371 | G | 74.1 | Confident | 88.7 | Confident | 76 Ų | 76 | 38.2 Ų | 38.2 | 78% | 0.784 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.4 | 0 | 174.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | P369 G373 | P369-G371 PolarHBondContact O-N 3Å; G371-G373 PolarHBondContact O-N 2.76Å |
| 372 | W | 74.1 | Confident | 88.8 | Confident | 16 Ų | 16 | 38.3 Ų | 38.3 | 6% | 0.061 | 26% | 0.262 | C | S | . | . | trans | -77.1 | -13.3 | -177.4 | -95.7 | 88.8 | 0 | 0 | 0 | 116.8 | E340 D341 I342 V343 P344 P369 R420 | E340-W372 WeakPolarHBondContact O-CZ2 3.41Å; D341-W372 VanDerWaalsContact C-CZ2 3.42Å; I342-W372 VanDerWaalsContact N-CZ2 3.32Å; I342-W372 VanDerWaalsContact O-CH2 3.23Å; I342-W372 WeakPolarHBondContact O-CH2 3.49Å; I342-W372 WeakPolarHBondContact O-CZ2 3.31Å; V343-W372 HydrophobicContact CB-CZ3 4.32Å; V343-W372 HydrophobicContact CG2-CH2 4.31Å; V343-W372 HydrophobicContact CG2-CZ3 4.1Å; P344-W372 HydrophobicContact CG-CB 4.18Å; P344-W372 HydrophobicContact CG-CD2 3.76Å; P344-W372 HydrophobicContact CG-CE3 3.97Å; P344-W372 HydrophobicContact CG-CG 3.85Å; P369-W372 HydrophobicContact CG-CG 4.4Å; P369-W372 PolarHBondContact O-N 3.36Å; W372-R420 HydrophobicContact CZ3-CB 4.49Å; W372-R420 HydrophobicContact CZ3-CG 4.37Å | ||
| 373 | G | 76.3 | Confident | 88.7 | Confident | 50 Ų | 50 | 41.4 Ų | 41.4 | 52% | 0.515 | 28% | 0.279 | S | S | . | . | trans | 81.7 | -168.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G371 | G371-G373 PolarHBondContact O-N 2.76Š| ||
| 374 | S | 84.1 | Confident | 88.5 | Confident | 101 Ų | 101 | 47.6 Ų | 47.6 | 71% | 0.706 | 31% | 0.306 | S | S | * | . | trans | -92.2 | 138 | -174.7 | 57.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 375 | I | 90.6 | Very high | 88.6 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 4% | 0.041 | 32% | 0.322 | C | S | . | . | trans | -83 | 131.5 | 170.4 | -62.5 | 160.9 | 0 | 0 | 0 | 108.7 | P366 L368 G377 Y392 T418 | P366-I375 HydrophobicContact CB-CD1 4.3Å; P366-I375 HydrophobicContact CG-CD1 3.13Å; L368-I375 HydrophobicContact CD1-CD1 4.31Å; L368-I375 HydrophobicContact CD2-CD1 3.52Å; L368-I375 HydrophobicContact CD2-CG1 4Å; L368-I375 HydrophobicContact CG-CD1 4.17Å; I375-G377 WeakPolarHBondContact CG2-O 3.45Å; I375-Y392 HydrophobicContact CB-CD2 3.6Å; I375-Y392 HydrophobicContact CB-CE2 3.79Å; I375-Y392 HydrophobicContact CB-CG 4.04Å; I375-Y392 HydrophobicContact CD1-CD2 4.33Å; I375-Y392 HydrophobicContact CD1-CE2 3.74Å; I375-Y392 HydrophobicContact CG1-CE2 4.38Å; I375-Y392 HydrophobicContact CG2-CD2 3.51Å; I375-Y392 HydrophobicContact CG2-CE2 4.05Å; I375-Y392 HydrophobicContact CG2-CG 4.14Å; I375-Y392 WeakPolarHBondContact O-CB 3.38Å; I375-T418 HydrophobicContact CG1-CG2 4.09Å | ||
| 376 | S | 90.6 | Very high | 88.8 | Confident | 75 Ų | 75 | 52.1 Ų | 52.1 | 52% | 0.524 | 33% | 0.326 | S | S | . | . | trans | -80.9 | -35.6 | 178.1 | 60 | 0 | 0 | 0 | 0 | 112.6 | Y392 I417 | S376-Y392 WeakPolarHBondContact O-CB 3.45Å; S376-Y392 PolarHBondContact O-N 2.9Å; S376-I417 PolarHBondContact N-O 2.95Å; S376-I417 VanDerWaalsContact OG-CB 3.31Å; S376-I417 WeakPolarHBondContact OG-CB 3.15Å; S376-I417 VanDerWaalsContact OG-CG2 3.28Å; S376-I417 WeakPolarHBondContact OG-CG2 3.2Å; S376-I417 PolarHBondContact OG-O 2.72Å | ||
| 377 | G | 93.9 | Very high | 89 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.3 | -159 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I375 V390 S416 I417 | I375-G377 WeakPolarHBondContact CG2-O 3.45Å; G377-V390 CarbonylContact C-O 3.57Å; G377-V390 WeakPolarHBondContact CA-O 3.4Å; G377-S416 CarbonylContact O-C 3.59Å; G377-I417 PolarHBondContact O-N 3.02Å |
| 378 | Y | 96.8 | Very high | 89.4 | Confident | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.016 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 138.8 | 179.3 | -52.8 | -78.7 | 0 | 0 | 0 | 110.5 | P346 W363 P365 S389 V390 Y392 T396 V414 Q415 | P346-Y378 HydrophobicContact CB-CD1 4.41Å; P346-Y378 HydrophobicContact CB-CE1 4.31Å; P346-Y378 HydrophobicContact CG-CD1 3.66Å; P346-Y378 HydrophobicContact CG-CE1 3.84Å; W363-Y378 HydrophobicContact CZ2-CD2 4.07Å; W363-Y378 HydrophobicContact CZ2-CG 4.05Å; W363-Y378 AromaticContact NE1-CD1 3.65Å; W363-Y378 AromaticContact NE1-CD2 3.75Å; W363-Y378 AromaticContact NE1-CE1 3.78Å; W363-Y378 AromaticContact NE1-CE2 3.88Å; W363-Y378 AromaticContact NE1-CG 3.62Å; W363-Y378 AromaticContact NE1-CZ 3.89Å; P365-Y378 WeakPolarHBondContact CB-OH 3.5Å; Y378-S389 CarbonylContact O-C 3.56Å; Y378-S389 VanDerWaalsContact O-CA 3.25Å; Y378-S389 WeakPolarHBondContact O-CA 3.31Å; Y378-V390 HydrophobicContact CD2-CB 4.44Å; Y378-V390 PolarHBondContact N-O 2.83Å; Y378-V390 PolarHBondContact O-N 3.35Å; Y378-Y392 HydrophobicContact CE2-CD2 4.07Å; Y378-Y392 AromaticContact CZ-CD2 3.89Å; Y378-Y392 WeakPolarHBondContact OH-CE2 3.48Å; Y378-T396 HydrophobicContact CE2-CG2 4.29Å; Y378-V414 HydrophobicContact CD1-CG1 4.32Å; Y378-V414 HydrophobicContact CG-CG1 4.47Å; Y378-Q415 CarbonylContact C-O 3.56Å; Y378-Q415 WeakPolarHBondContact CA-O 3.34Å |
| 379 | N | 96.6 | Very high | 89.9 | Confident | 25 Ų | 25 | 56.3 Ų | 56.3 | 13% | 0.134 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 132.6 | 164 | -79.2 | -26.5 | 0 | 0 | 0 | 109 | L381 V386 S389 V414 Q415 I417 | N379-L381 HydrophobicContact CB-CD1 4Å; N379-L381 WeakPolarHBondContact O-CD1 3.47Å; N379-V386 HydrophobicContact CB-CG1 4.22Å; N379-V386 HydrophobicContact CB-CG2 4.32Å; N379-S389 PolarHBondContact OD1-OG 3.22Å; N379-V414 CarbonylContact O-C 3.48Å; N379-V414 VanDerWaalsContact O-CA 3.32Å; N379-V414 WeakPolarHBondContact O-CA 3.47Å; N379-Q415 HydrophobicContact CB-CB 4.47Å; N379-Q415 PolarHBondContact N-O 2.92Å; N379-Q415 PolarHBondContact O-N 3.47Å; N379-I417 HydrophobicContact CB-CD1 4.37Å; N379-I417 VanDerWaalsContact CG-CD1 3.42Å; N379-I417 WeakPolarHBondContact ND2-CD1 3.33Å; N379-I417 VanDerWaalsContact OD1-CD1 3.29Å; N379-I417 WeakPolarHBondContact OD1-CD1 3.4Å |
| 380 | V | 97.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 116.6 | 171.4 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | I361 W363 R387 M388 V390 I400 I412 V414 | I361-V380 HydrophobicContact CD1-CG1 3.9Å; W363-V380 HydrophobicContact CH2-CG2 3.68Å; W363-V380 HydrophobicContact CZ2-CG2 4.47Å; W363-V380 HydrophobicContact CZ3-CG2 4.04Å; V380-R387 PolarHBondContact O-N 3.44Å; V380-M388 HydrophobicContact CB-CG 3.67Å; V380-M388 HydrophobicContact CB-SD 4.44Å; V380-M388 HydrophobicContact CG1-CG 4.38Å; V380-M388 HydrophobicContact CG2-CG 3.99Å; V380-M388 PolarHBondContact N-O 3.01Å; V380-M388 PolarHBondContact O-N 3.05Å; V380-V390 HydrophobicContact CG2-CG2 4.45Å; V380-I400 HydrophobicContact CG1-CD1 3.63Å; V380-I400 HydrophobicContact CG1-CG1 4.09Å; V380-I412 HydrophobicContact CG1-CG2 4.32Å; V380-V414 HydrophobicContact CG2-CG2 4.46Å |
| 381 | L | 97.8 | Very high | 91.5 | Very high | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 142.3 | -174.1 | -57 | 88.8 | 0 | 0 | 0 | 110.4 | N379 E385 V386 I412 S413 Q415 | N379-L381 HydrophobicContact CB-CD1 4Å; N379-L381 WeakPolarHBondContact O-CD1 3.47Å; L381-E385 CarbonylContact C-O 3.54Å; L381-E385 WeakPolarHBondContact CA-O 3.31Å; L381-V386 HydrophobicContact CD2-CG2 4.19Å; L381-V386 HydrophobicContact CG-CG2 4.15Å; L381-I412 VanDerWaalsContact O-CA 3.31Å; L381-I412 WeakPolarHBondContact O-CA 3.39Å; L381-S413 PolarHBondContact N-O 3.48Å; L381-S413 PolarHBondContact O-N 3Å; L381-Q415 HydrophobicContact CD1-CB 4.19Å; L381-Q415 HydrophobicContact CD1-CG 3.69Å |
| 382 | V | 97.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 116.7 | 167.4 | 176.8 | 0 | 0 | 0 | 0 | 107.1 | K384 E385 R387 I400 L403 Y410 R411 | V382-K384 PolarHBondContact O-N 3.19Å; V382-E385 PolarHBondContact N-O 3.09Å; V382-E385 WeakPolarHBondContact O-CB 3.16Å; V382-E385 PolarHBondContact O-N 3.44Å; V382-R387 HydrophobicContact CB-CG 3.76Å; V382-R387 HydrophobicContact CG2-CB 4.44Å; V382-R387 HydrophobicContact CG2-CG 3.54Å; V382-I400 HydrophobicContact CG2-CD1 4.44Å; V382-I400 HydrophobicContact CG2-CG2 3.7Å; V382-L403 HydrophobicContact CG1-CD2 3.98Å; V382-L403 HydrophobicContact CG2-CD2 4.47Å; V382-Y410 HydrophobicContact CG1-CD1 3.63Å; V382-Y410 HydrophobicContact CG1-CE1 4.44Å; V382-Y410 HydrophobicContact CG1-CG 4.24Å; V382-R411 CarbonylContact C-O 3.6Å; V382-R411 WeakPolarHBondContact CA-O 3.48Å |
| 383 | D | 94.5 | Very high | 92.6 | Very high | 67 Ų | 67 | 58 Ų | 58 | 36% | 0.358 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 45.5 | -176.6 | -61.7 | -35.1 | 0 | 0 | 0 | 113.4 | E385 Y410 R411 | D383-E385 PolarHBondContact O-N 3.29Å; D383-Y410 WeakPolarHBondContact OD2-CD1 3.49Å; D383-R411 PolarHBondContact N-O 2.81Å; D383-R411 PolarHBondContact OD1-N 3Å; D383-R411 IonicContact OD1-NH1 3.06Å |
| 384 | K | 93.9 | Very high | 92.9 | Very high | 134 Ų | 134 | 57.4 Ų | 57.4 | 58% | 0.583 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | -3.4 | -179.3 | -44.9 | -172.3 | 175.6 | -165.8 | 0 | 115.9 | V382 E425 | V382-K384 PolarHBondContact O-N 3.19Å; K384-E425 VanDerWaalsContact CE-OE1 3.25Å; K384-E425 WeakPolarHBondContact CE-OE1 3.25Å; K384-E425 IonicContact NZ-OE1 3.3Å |
| 385 | E | 96.2 | Very high | 93.1 | Very high | 126 Ų | 126 | 63.1 Ų | 63.1 | 59% | 0.589 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 125.8 | 174.2 | -62.9 | -177.2 | 168.7 | 0 | 0 | 110.5 | L381 V382 D383 R387 | L381-E385 CarbonylContact C-O 3.54Å; L381-E385 WeakPolarHBondContact CA-O 3.31Å; V382-E385 PolarHBondContact N-O 3.09Å; V382-E385 WeakPolarHBondContact O-CB 3.16Å; V382-E385 PolarHBondContact O-N 3.44Å; D383-E385 PolarHBondContact O-N 3.29Å; E385-R387 PolarHBondContact O-N 3.28Å; E385-R387 VanDerWaalsContact O-N 3.12Å |
| 386 | V | 96 | Very high | 93.3 | Very high | 77 Ų | 77 | 64.5 Ų | 64.5 | 47% | 0.467 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 113.4 | 174 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | N379 L381 | N379-V386 HydrophobicContact CB-CG1 4.22Å; N379-V386 HydrophobicContact CB-CG2 4.32Å; L381-V386 HydrophobicContact CD2-CG2 4.19Å; L381-V386 HydrophobicContact CG-CG2 4.15Å |
| 387 | R | 95.6 | Very high | 93.5 | Very high | 106 Ų | 106 | 67.3 Ų | 67.3 | 40% | 0.4 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -32.1 | 176.3 | -71.5 | -61.6 | -172.2 | 94.8 | -1.5 | 112.2 | V380 V382 E385 | V380-R387 PolarHBondContact O-N 3.44Å; V382-R387 HydrophobicContact CB-CG 3.76Å; V382-R387 HydrophobicContact CG2-CB 4.44Å; V382-R387 HydrophobicContact CG2-CG 3.54Å; E385-R387 PolarHBondContact O-N 3.28Å; E385-R387 VanDerWaalsContact O-N 3.12Å |
| 388 | M | 94.4 | Very high | 93.6 | Very high | 67 Ų | 67 | 67.6 Ų | 67.6 | 33% | 0.33 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 158.8 | 179.3 | 62.2 | -167.1 | -39.5 | 0 | 0 | 111.7 | V380 | V380-M388 HydrophobicContact CB-CG 3.67Å; V380-M388 HydrophobicContact CB-SD 4.44Å; V380-M388 HydrophobicContact CG1-CG 4.38Å; V380-M388 HydrophobicContact CG2-CG 3.99Å; V380-M388 PolarHBondContact N-O 3.01Å; V380-M388 PolarHBondContact O-N 3.05Å |
| 389 | S | 94.4 | Very high | 93.6 | Very high | 81 Ų | 81 | 71.1 Ų | 71.1 | 57% | 0.566 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 133.5 | 173.6 | -54.4 | 0 | 0 | 0 | 0 | 109.8 | Y378 N379 | Y378-S389 CarbonylContact O-C 3.56Å; Y378-S389 VanDerWaalsContact O-CA 3.25Å; Y378-S389 WeakPolarHBondContact O-CA 3.31Å; N379-S389 PolarHBondContact OD1-OG 3.22Å |
| 390 | V | 93.9 | Very high | 93.6 | Very high | 17 Ų | 17 | 70.1 Ų | 70.1 | 10% | 0.103 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 123.6 | -178.8 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | W363 G377 Y378 V380 | W363-V390 HydrophobicContact CH2-CG2 4.08Å; W363-V390 HydrophobicContact CZ2-CB 4.39Å; W363-V390 HydrophobicContact CZ2-CG2 4.32Å; G377-V390 CarbonylContact C-O 3.57Å; G377-V390 WeakPolarHBondContact CA-O 3.4Å; Y378-V390 HydrophobicContact CD2-CB 4.44Å; Y378-V390 PolarHBondContact N-O 2.83Å; Y378-V390 PolarHBondContact O-N 3.35Å; V380-V390 HydrophobicContact CG2-CG2 4.45Å |
| 391 | P | 92.7 | Very high | 93.5 | Very high | 93 Ų | 93 | 75.6 Ų | 75.6 | 60% | 0.604 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 147.7 | 179.7 | 27.2 | -34.3 | 0 | 0 | 0 | 111.5 | G394 | P391-G394 PolarHBondContact O-N 2.76Å |
| 392 | Y | 89.6 | Confident | 93.3 | Very high | 102 Ų | 102 | 83.9 Ų | 83.9 | 40% | 0.4 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 142.8 | 175.8 | -170.4 | -102.3 | 0 | 0 | 0 | 110.8 | I375 S376 Y378 G394 | I375-Y392 HydrophobicContact CB-CD2 3.6Å; I375-Y392 HydrophobicContact CB-CE2 3.79Å; I375-Y392 HydrophobicContact CB-CG 4.04Å; I375-Y392 HydrophobicContact CD1-CD2 4.33Å; I375-Y392 HydrophobicContact CD1-CE2 3.74Å; I375-Y392 HydrophobicContact CG1-CE2 4.38Å; I375-Y392 HydrophobicContact CG2-CD2 3.51Å; I375-Y392 HydrophobicContact CG2-CE2 4.05Å; I375-Y392 HydrophobicContact CG2-CG 4.14Å; I375-Y392 WeakPolarHBondContact O-CB 3.38Å; S376-Y392 WeakPolarHBondContact O-CB 3.45Å; S376-Y392 PolarHBondContact O-N 2.9Å; Y378-Y392 HydrophobicContact CE2-CD2 4.07Å; Y378-Y392 AromaticContact CZ-CD2 3.89Å; Y378-Y392 WeakPolarHBondContact OH-CE2 3.48Å; Y392-G394 PolarHBondContact O-N 3.12Å |
| 393 | G | 82.4 | Confident | 93.1 | Very high | 74 Ų | 74 | 84 Ų | 84 | 76% | 0.763 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | -5.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 394 | G | 81.3 | Confident | 93.1 | Very high | 38 Ų | 38 | 84.2 Ų | 84.2 | 39% | 0.392 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -76.5 | -177.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | P391 Y392 T396 | P391-G394 PolarHBondContact O-N 2.76Å; Y392-G394 PolarHBondContact O-N 3.12Å; G394-T396 PolarHBondContact O-N 3.13Å |
| 395 | R | 88.4 | Confident | 93 | Very high | 221 Ų | 221 | 78.3 Ų | 78.3 | 83% | 0.834 | 41% | 0.406 | S | S | * | . | trans | -67.3 | 126.6 | 173.4 | -66.2 | 179.6 | -179.5 | 177.8 | 0.2 | 109.6 | K397 | R395-K397 PolarHBondContact O-N 3.08Š| ||
| 396 | T | 94.6 | Very high | 92.7 | Very high | 37 Ų | 37 | 75.9 Ų | 75.9 | 23% | 0.227 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -81.5 | 49 | 175.3 | 56.9 | 0 | 0 | 0 | 0 | 112 | G362 W363 Y378 G394 | G362-T396 CarbonylContact C-O 3.45Å; G362-T396 WeakPolarHBondContact CA-O 3.31Å; W363-T396 PolarHBondContact N-O 3.14Å; W363-T396 WeakPolarHBondContact O-CB 3.13Å; W363-T396 PolarHBondContact O-OG1 3.09Å; Y378-T396 HydrophobicContact CE2-CG2 4.29Å; G394-T396 PolarHBondContact O-N 3.13Å |
| 397 | K | 95.4 | Very high | 92.6 | Very high | 134 Ų | 134 | 76 Ų | 76 | 58% | 0.583 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 145.6 | 178.5 | -64.4 | -176.5 | -179.4 | 179.9 | 0 | 109.2 | I352 I361 R395 | I352-K397 HydrophobicContact CD1-CD 3.75Å; I352-K397 HydrophobicContact CD1-CG 3.94Å; I361-K397 CarbonylContact O-C 3.5Å; I361-K397 VanDerWaalsContact O-CA 3.25Å; I361-K397 WeakPolarHBondContact O-CA 3.21Å; R395-K397 PolarHBondContact O-N 3.08Å |
| 398 | S | 95.6 | Very high | 92.5 | Very high | 10 Ų | 10 | 74.2 Ų | 74.2 | 7% | 0.07 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 142.1 | -179.9 | -73.2 | 0 | 0 | 0 | 0 | 112.4 | I360 I361 W363 | I360-S398 WeakPolarHBondContact CA-O 3.19Å; I361-S398 PolarHBondContact N-O 3.22Å; I361-S398 PolarHBondContact O-N 3.45Å; W363-S398 WeakPolarHBondContact CH2-OG 3.23Å |
| 399 | L | 96.6 | Very high | 92.5 | Very high | 77 Ų | 77 | 74 Ų | 74 | 40% | 0.403 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 122.3 | 171.3 | 172.3 | 67.1 | 0 | 0 | 0 | 108.3 | V359 I360 E401 | V359-L399 WeakPolarHBondContact O-CA 3.39Å; I360-L399 HydrophobicContact CG1-CD1 3.77Å; L399-E401 HydrophobicContact CD1-CG 4.43Å; L399-E401 HydrophobicContact CD2-CG 4.02Å; L399-E401 HydrophobicContact CG-CG 3.89Å |
| 400 | I | 96.9 | Very high | 92.6 | Very high | 5 Ų | 5 | 71.5 Ų | 71.5 | 3% | 0.026 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 114.5 | 177.8 | -55.4 | 163.3 | 0 | 0 | 0 | 107.5 | S358 V359 I361 V380 V382 L403 I412 | S358-I400 CarbonylContact C-O 3.59Å; S358-I400 WeakPolarHBondContact CA-O 3.45Å; S358-I400 WeakPolarHBondContact CB-O 3.5Å; V359-I400 HydrophobicContact CG2-CB 3.91Å; V359-I400 HydrophobicContact CG2-CD1 4.07Å; V359-I400 HydrophobicContact CG2-CG1 4.44Å; V359-I400 PolarHBondContact N-O 3.05Å; V359-I400 PolarHBondContact O-N 3.46Å; I361-I400 HydrophobicContact CD1-CD1 4.08Å; I361-I400 HydrophobicContact CG1-CD1 4.06Å; V380-I400 HydrophobicContact CG1-CD1 3.63Å; V380-I400 HydrophobicContact CG1-CG1 4.09Å; V382-I400 HydrophobicContact CG2-CD1 4.44Å; V382-I400 HydrophobicContact CG2-CG2 3.7Å; I400-L403 HydrophobicContact CB-CD1 4.39Å; I400-L403 HydrophobicContact CG2-CD1 3.88Å; I400-L403 HydrophobicContact CG2-CD2 4.18Å; I400-L403 HydrophobicContact CG2-CG 4.14Å; I400-I412 HydrophobicContact CD1-CD1 4.01Å; I400-I412 HydrophobicContact CD1-CG1 4.27Å; I400-I412 HydrophobicContact CD1-CG2 3.58Å |
| 401 | E | 94.9 | Very high | 92.8 | Very high | 114 Ų | 114 | 72.4 Ų | 72.4 | 53% | 0.533 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 172.9 | -177.5 | -57.2 | -172.7 | 142.8 | 0 | 0 | 112.5 | L399 L403 | L399-E401 HydrophobicContact CD1-CG 4.43Å; L399-E401 HydrophobicContact CD2-CG 4.02Å; L399-E401 HydrophobicContact CG-CG 3.89Å; E401-L403 PolarHBondContact O-N 3.23Å |
| 402 | K | 93.6 | Very high | 93 | Very high | 181 Ų | 181 | 68 Ų | 68 | 79% | 0.787 | 36% | 0.36 | S | S | * | . | S | Bend | trans | 61.3 | 42 | 175.7 | -52.5 | 176.3 | -178.4 | 175.7 | 0 | 112.7 | K357 | K357-K402 PolarHBondContact O-N 3.21Å; K357-K402 VanDerWaalsContact O-N 3.12Å |
| 403 | L | 94.6 | Very high | 93.4 | Very high | 3 Ų | 3 | 63.1 Ų | 63.1 | 2% | 0.016 | 34% | 0.341 | C | S | . | . | trans | -102.4 | 138.9 | 172.4 | -58.7 | -179.4 | 0 | 0 | 0 | 109.9 | K357 V359 V382 I400 E401 L405 Y410 | K357-L403 CarbonylContact C-O 3.5Å; K357-L403 WeakPolarHBondContact CA-O 3.23Å; K357-L403 PolarHBondContact O-N 3.25Å; V359-L403 HydrophobicContact CG1-CD1 4.21Å; V359-L403 HydrophobicContact CG2-CD1 3.73Å; V382-L403 HydrophobicContact CG1-CD2 3.98Å; V382-L403 HydrophobicContact CG2-CD2 4.47Å; I400-L403 HydrophobicContact CB-CD1 4.39Å; I400-L403 HydrophobicContact CG2-CD1 3.88Å; I400-L403 HydrophobicContact CG2-CD2 4.18Å; I400-L403 HydrophobicContact CG2-CG 4.14Å; E401-L403 PolarHBondContact O-N 3.23Å; L403-L405 HydrophobicContact CB-CD2 3.69Å; L403-L405 HydrophobicContact CB-CG 4.01Å; L403-L405 HydrophobicContact CD1-CD2 4.04Å; L403-L405 PolarHBondContact O-N 3.21Å; L403-Y410 HydrophobicContact CB-CD2 4.31Å; L403-Y410 HydrophobicContact CB-CE2 4.06Å; L403-Y410 HydrophobicContact CD2-CD1 4.16Å; L403-Y410 HydrophobicContact CD2-CD2 4.35Å; L403-Y410 HydrophobicContact CD2-CE1 4.24Å; L403-Y410 HydrophobicContact CD2-CE2 4.4Å; L403-Y410 HydrophobicContact CD2-CG 4.22Å | ||
| 404 | N | 93.4 | Very high | 94.1 | Very high | 72 Ų | 72 | 59.6 Ų | 59.6 | 39% | 0.385 | 31% | 0.305 | S | S | . | . | trans | -99 | 76.9 | 171.9 | -173.4 | -4.7 | 0 | 0 | 0 | 110.4 | A406 T407 N408 Y410 | N404-A406 PolarHBondContact O-N 2.95Å; N404-T407 PolarHBondContact ND2-OG1 2.91Å; N404-T407 PolarHBondContact O-N 3.15Å; N404-T407 PolarHBondContact OD1-OG1 3.39Å; N404-N408 WeakPolarHBondContact O-CB 3.38Å; N404-N408 PolarHBondContact O-N 3.01Å; N404-Y410 PolarHBondContact N-OH 3.48Å | ||
| 405 | L | 92.9 | Very high | 94.9 | Very high | 10 Ų | 10 | 59 Ų | 59 | 5% | 0.052 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -15.8 | -173.3 | -57.4 | -175.2 | 0 | 0 | 0 | 113.8 | Q354 L355 V359 L403 Y410 V432 G433 K434 | Q354-L405 HydrophobicContact CG-CD1 3.48Å; Q354-L405 VanDerWaalsContact CG-CD1 3.48Å; L355-L405 WeakPolarHBondContact O-CD1 3.4Å; V359-L405 HydrophobicContact CG1-CD1 3.51Å; V359-L405 HydrophobicContact CG1-CD2 4.39Å; L403-L405 HydrophobicContact CB-CD2 3.69Å; L403-L405 HydrophobicContact CB-CG 4.01Å; L403-L405 HydrophobicContact CD1-CD2 4.04Å; L403-L405 PolarHBondContact O-N 3.21Å; L405-Y410 HydrophobicContact CD2-CD2 3.69Å; L405-Y410 HydrophobicContact CD2-CE2 4.1Å; L405-V432 HydrophobicContact CD2-CG2 3.95Å; L405-G433 CarbonylContact O-C 3.53Å; L405-K434 PolarHBondContact O-N 3.32Å; L405-K434 VanDerWaalsContact O-N 3.13Å |
| 406 | A | 90.4 | Very high | 95.2 | Very high | 74 Ų | 74 | 48.4 Ų | 48.4 | 61% | 0.612 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -32 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N404 K434 | N404-A406 PolarHBondContact O-N 2.95Å; A406-K434 WeakPolarHBondContact O-CD 3.4Å |
| 407 | T | 92.7 | Very high | 95.1 | Very high | 79 Ų | 79 | 48.6 Ų | 48.6 | 49% | 0.485 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | -25.4 | -177.7 | 66.5 | 0 | 0 | 0 | 0 | 113.2 | N404 | N404-T407 PolarHBondContact ND2-OG1 2.91Å; N404-T407 PolarHBondContact O-N 3.15Å; N404-T407 PolarHBondContact OD1-OG1 3.39Å |
| 408 | N | 94.2 | Very high | 94.9 | Very high | 70 Ų | 70 | 43 Ų | 43 | 37% | 0.374 | 23% | 0.228 | S | C | . | . | trans | -120.9 | 151.7 | -169.9 | -55.3 | -22 | 0 | 0 | 0 | 111.5 | N404 Y410 K434 | N404-N408 WeakPolarHBondContact O-CB 3.38Å; N404-N408 PolarHBondContact O-N 3.01Å; N408-Y410 HydrophobicContact CB-CD2 4.35Å; N408-Y410 HydrophobicContact CB-CE2 3.63Å; N408-Y410 PolarHBondContact ND2-OH 3.3Å; N408-Y410 VanDerWaalsContact ND2-OH 3.09Å; N408-K434 PolarHBondContact O-N 2.95Å; N408-K434 VanDerWaalsContact O-N 3.16Å | ||
| 409 | T | 95 | Very high | 94.6 | Very high | 62 Ų | 62 | 48.8 Ų | 48.8 | 38% | 0.38 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 131.8 | 167.6 | -42.7 | 0 | 0 | 0 | 0 | 108.1 | L431 V432 K434 V436 | T409-L431 HydrophobicContact CG2-CB 4.38Å; T409-L431 HydrophobicContact CG2-CD2 4.37Å; T409-V432 CarbonylContact C-O 3.49Å; T409-V432 WeakPolarHBondContact CA-O 3.37Å; T409-K434 PolarHBondContact OG1-O 3.48Å; T409-V436 HydrophobicContact CG2-CG2 3.71Å |
| 410 | Y | 96.4 | Very high | 94.2 | Very high | 29 Ų | 29 | 51.5 Ų | 51.5 | 11% | 0.114 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 142.4 | 177.8 | -64.5 | -85.1 | 0 | 0 | 0 | 110 | V382 D383 L403 N404 L405 N408 L431 V432 | V382-Y410 HydrophobicContact CG1-CD1 3.63Å; V382-Y410 HydrophobicContact CG1-CE1 4.44Å; V382-Y410 HydrophobicContact CG1-CG 4.24Å; D383-Y410 WeakPolarHBondContact OD2-CD1 3.49Å; L403-Y410 HydrophobicContact CB-CD2 4.31Å; L403-Y410 HydrophobicContact CB-CE2 4.06Å; L403-Y410 HydrophobicContact CD2-CD1 4.16Å; L403-Y410 HydrophobicContact CD2-CD2 4.35Å; L403-Y410 HydrophobicContact CD2-CE1 4.24Å; L403-Y410 HydrophobicContact CD2-CE2 4.4Å; L403-Y410 HydrophobicContact CD2-CG 4.22Å; N404-Y410 PolarHBondContact N-OH 3.48Å; L405-Y410 HydrophobicContact CD2-CD2 3.69Å; L405-Y410 HydrophobicContact CD2-CE2 4.1Å; N408-Y410 HydrophobicContact CB-CD2 4.35Å; N408-Y410 HydrophobicContact CB-CE2 3.63Å; N408-Y410 PolarHBondContact ND2-OH 3.3Å; N408-Y410 VanDerWaalsContact ND2-OH 3.09Å; Y410-L431 WeakPolarHBondContact O-CA 3.44Å; Y410-V432 PolarHBondContact N-O 3.35Å; Y410-V432 PolarHBondContact O-N 2.9Å |
| 411 | R | 96.7 | Very high | 93.9 | Very high | 35 Ų | 35 | 52.3 Ų | 52.3 | 13% | 0.132 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 125.2 | 167.1 | -176.4 | -179.3 | -56.7 | 79 | 13.1 | 110.4 | V382 D383 L431 Y441 | V382-R411 CarbonylContact C-O 3.6Å; V382-R411 WeakPolarHBondContact CA-O 3.48Å; D383-R411 PolarHBondContact N-O 2.81Å; D383-R411 PolarHBondContact OD1-N 3Å; D383-R411 IonicContact OD1-NH1 3.06Å; R411-L431 HydrophobicContact CB-CD2 3.79Å; R411-L431 HydrophobicContact CG-CD2 4.23Å; R411-Y441 PolarHBondContact NE-OH 3.05Å; R411-Y441 PolarHBondContact NH2-OH 3.19Å |
| 412 | I | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 123.8 | 176.4 | -56.8 | 169.2 | 0 | 0 | 0 | 107.3 | V359 I361 V380 L381 I400 S429 L430 V432 | V359-I412 HydrophobicContact CG2-CD1 3.48Å; V359-I412 VanDerWaalsContact CG2-CD1 3.48Å; I361-I412 HydrophobicContact CD1-CG2 3.72Å; I361-I412 HydrophobicContact CG2-CD1 4.2Å; I361-I412 HydrophobicContact CG2-CG2 4.33Å; V380-I412 HydrophobicContact CG1-CG2 4.32Å; L381-I412 VanDerWaalsContact O-CA 3.31Å; L381-I412 WeakPolarHBondContact O-CA 3.39Å; I400-I412 HydrophobicContact CD1-CD1 4.01Å; I400-I412 HydrophobicContact CD1-CG1 4.27Å; I400-I412 HydrophobicContact CD1-CG2 3.58Å; I412-S429 CarbonylContact O-C 3.51Å; I412-S429 WeakPolarHBondContact O-CA 3.41Å; I412-L430 HydrophobicContact CB-CD1 4.45Å; I412-L430 HydrophobicContact CD1-CD1 4.45Å; I412-L430 PolarHBondContact N-O 2.92Å; I412-L430 PolarHBondContact O-N 3.33Å; I412-V432 HydrophobicContact CD1-CB 4.36Å; I412-V432 HydrophobicContact CD1-CG1 3.84Å; I412-V432 HydrophobicContact CD1-CG2 3.52Å; I412-V432 HydrophobicContact CG1-CG2 4.15Å |
| 413 | S | 97.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 147.1 | 179.7 | -47.4 | 0 | 0 | 0 | 0 | 109.9 | L381 E425 C428 S429 | L381-S413 PolarHBondContact N-O 3.48Å; L381-S413 PolarHBondContact O-N 3Å; S413-E425 WeakPolarHBondContact CB-O 3.38Å; S413-C428 CarbonylContact C-O 3.45Å; S413-C428 VanDerWaalsContact CA-O 3.31Å; S413-C428 WeakPolarHBondContact CA-O 3.48Å; S413-S429 WeakPolarHBondContact OG-CB 3.21Å |
| 414 | V | 97.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 118 | 175.4 | -171.5 | 0 | 0 | 0 | 0 | 108.8 | P346 I349 I361 W363 Y378 N379 V380 C428 | P346-V414 HydrophobicContact CB-CG1 4.29Å; P346-V414 HydrophobicContact CG-CB 4.42Å; P346-V414 HydrophobicContact CG-CG1 3.96Å; I349-V414 HydrophobicContact CD1-CG2 3.9Å; I361-V414 HydrophobicContact CD1-CG2 3.84Å; W363-V414 HydrophobicContact CD2-CB 4.48Å; W363-V414 HydrophobicContact CD2-CG1 3.86Å; W363-V414 HydrophobicContact CD2-CG2 4.12Å; W363-V414 HydrophobicContact CE3-CG1 4.31Å; W363-V414 HydrophobicContact CE3-CG2 3.86Å; W363-V414 HydrophobicContact CG-CG1 4.18Å; W363-V414 HydrophobicContact CH2-CG1 4.49Å; W363-V414 HydrophobicContact CZ2-CG1 4.08Å; W363-V414 HydrophobicContact CZ3-CG2 4.23Å; Y378-V414 HydrophobicContact CD1-CG1 4.32Å; Y378-V414 HydrophobicContact CG-CG1 4.47Å; N379-V414 CarbonylContact O-C 3.48Å; N379-V414 VanDerWaalsContact O-CA 3.32Å; N379-V414 WeakPolarHBondContact O-CA 3.47Å; V380-V414 HydrophobicContact CG2-CG2 4.46Å; V414-C428 PolarHBondContact N-O 3.05Å; V414-C428 WeakPolarHBondContact O-CB 3.27Å |
| 415 | Q | 96.3 | Very high | 93.9 | Very high | 25 Ų | 25 | 42.1 Ų | 42.1 | 12% | 0.117 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 142.7 | 175.2 | -64.7 | 178.5 | -52.8 | 0 | 0 | 109.6 | Y378 N379 L381 P422 S423 E425 | Y378-Q415 CarbonylContact C-O 3.56Å; Y378-Q415 WeakPolarHBondContact CA-O 3.34Å; N379-Q415 HydrophobicContact CB-CB 4.47Å; N379-Q415 PolarHBondContact N-O 2.92Å; N379-Q415 PolarHBondContact O-N 3.47Å; L381-Q415 HydrophobicContact CD1-CB 4.19Å; L381-Q415 HydrophobicContact CD1-CG 3.69Å; Q415-P422 HydrophobicContact CB-CB 4.32Å; Q415-S423 WeakPolarHBondContact CA-OG 3.16Å; Q415-S423 VanDerWaalsContact CD-O 3.29Å; Q415-S423 VanDerWaalsContact CG-O 3.23Å; Q415-S423 WeakPolarHBondContact CG-O 3.32Å; Q415-S423 PolarHBondContact NE2-O 2.98Å; Q415-E425 HydrophobicContact CG-CB 4.23Å |
| 416 | S | 94.8 | Very high | 94 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 156.3 | 159.9 | 71.8 | 0 | 0 | 0 | 0 | 109 | P344 G377 P422 S423 | P344-S416 VanDerWaalsContact O-CB 3.3Å; P344-S416 WeakPolarHBondContact O-CB 3.19Å; P344-S416 PolarHBondContact O-OG 2.83Å; G377-S416 CarbonylContact O-C 3.59Å; S416-P422 CarbonylContact O-C 3.39Å; S416-P422 WeakPolarHBondContact O-CA 3.18Å; S416-S423 PolarHBondContact N-OG 2.84Å; S416-S423 PolarHBondContact O-N 3.48Å; S416-S423 WeakPolarHBondContact OG-CB 3.25Å; S416-S423 PolarHBondContact OG-OG 2.98Å |
| 417 | I | 93.6 | Very high | 94.2 | Very high | 41 Ų | 41 | 41.1 Ų | 41.1 | 21% | 0.21 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 115.6 | 176.2 | -50 | 169.5 | 0 | 0 | 0 | 107.9 | S376 G377 N379 | S376-I417 PolarHBondContact N-O 2.95Å; S376-I417 VanDerWaalsContact OG-CB 3.31Å; S376-I417 WeakPolarHBondContact OG-CB 3.15Å; S376-I417 VanDerWaalsContact OG-CG2 3.28Å; S376-I417 WeakPolarHBondContact OG-CG2 3.2Å; S376-I417 PolarHBondContact OG-O 2.72Å; G377-I417 PolarHBondContact O-N 3.02Å; N379-I417 HydrophobicContact CB-CD1 4.37Å; N379-I417 VanDerWaalsContact CG-CD1 3.42Å; N379-I417 WeakPolarHBondContact ND2-CD1 3.33Å; N379-I417 VanDerWaalsContact OD1-CD1 3.29Å; N379-I417 WeakPolarHBondContact OD1-CD1 3.4Å |
| 418 | T | 91.7 | Very high | 94.3 | Very high | 15 Ų | 15 | 37.3 Ų | 37.3 | 9% | 0.092 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 175.8 | 174.9 | 72.2 | 0 | 0 | 0 | 0 | 110.7 | V343 I375 R420 G421 | V343-T418 HydrophobicContact CG1-CG2 3.79Å; I375-T418 HydrophobicContact CG1-CG2 4.09Å; T418-R420 PolarHBondContact O-N 3.38Å; T418-R420 PolarHBondContact OG1-N 2.95Å; T418-G421 PolarHBondContact N-O 2.69Å; T418-G421 PolarHBondContact O-N 3.15Å; T418-G421 VanDerWaalsContact O-N 3.16Å; T418-G421 PolarHBondContact OG1-O 2.94Å; T418-G421 VanDerWaalsContact OG1-O 3.05Å |
| 419 | D | 88.6 | Confident | 94.5 | Very high | 132 Ų | 132 | 34 Ų | 34 | 71% | 0.706 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -29.6 | 169.5 | 59 | -16.6 | 0 | 0 | 0 | 113 | G421 | D419-G421 VanDerWaalsContact C-N 3.28Å; D419-G421 PolarHBondContact O-N 3.32Å |
| 420 | R | 88.2 | Confident | 94.5 | Very high | 134 Ų | 134 | 31.3 Ų | 31.3 | 51% | 0.506 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -3.1 | 174.2 | -55.4 | -160.3 | -171 | -172.8 | 5.4 | 114.2 | D341 V343 W372 T418 | D341-R420 IonicContact OD1-NH1 3.93Å; D341-R420 PolarHBondContact OD1-NH1 2.78Å; V343-R420 HydrophobicContact CG2-CB 4.4Å; W372-R420 HydrophobicContact CZ3-CB 4.49Å; W372-R420 HydrophobicContact CZ3-CG 4.37Å; T418-R420 PolarHBondContact O-N 3.38Å; T418-R420 PolarHBondContact OG1-N 2.95Å |
| 421 | G | 90.6 | Very high | 94.5 | Very high | 22 Ų | 22 | 31.1 Ų | 31.1 | 23% | 0.227 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 113.6 | -172.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | T418 D419 | T418-G421 PolarHBondContact N-O 2.69Å; T418-G421 PolarHBondContact O-N 3.15Å; T418-G421 VanDerWaalsContact O-N 3.16Å; T418-G421 PolarHBondContact OG1-O 2.94Å; T418-G421 VanDerWaalsContact OG1-O 3.05Å; D419-G421 VanDerWaalsContact C-N 3.28Å; D419-G421 PolarHBondContact O-N 3.32Å |
| 422 | P | 93.4 | Very high | 94.4 | Very high | 74 Ų | 74 | 29.5 Ų | 29.5 | 48% | 0.481 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 148.7 | -180 | 31.7 | -33.9 | 0 | 0 | 0 | 112 | Q415 S416 | Q415-P422 HydrophobicContact CB-CB 4.32Å; S416-P422 CarbonylContact O-C 3.39Å; S416-P422 WeakPolarHBondContact O-CA 3.18Å |
| 423 | S | 94.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | P | Polyproline II helix | trans | -67.3 | 162 | 171.3 | 71.9 | 0 | 0 | 0 | 0 | 112.6 | Q415 S416 E425 | Q415-S423 WeakPolarHBondContact CA-OG 3.16Å; Q415-S423 VanDerWaalsContact CD-O 3.29Å; Q415-S423 VanDerWaalsContact CG-O 3.23Å; Q415-S423 WeakPolarHBondContact CG-O 3.32Å; Q415-S423 PolarHBondContact NE2-O 2.98Å; S416-S423 PolarHBondContact N-OG 2.84Å; S416-S423 PolarHBondContact O-N 3.48Å; S416-S423 WeakPolarHBondContact OG-CB 3.25Å; S416-S423 PolarHBondContact OG-OG 2.98Å; S423-E425 PolarHBondContact O-N 3.37Å |
| 424 | D | 93.9 | Very high | 93.8 | Very high | 48 Ų | 48 | 34.7 Ų | 34.7 | 26% | 0.257 | 18% | 0.178 | S | C | . | . | P | Polyproline II helix | trans | -56.7 | 128.6 | 174.5 | -174.2 | -18.3 | 0 | 0 | 0 | 111.8 | L426 R427 Y483 | D424-L426 PolarHBondContact O-N 3.18Å; D424-L426 PolarHBondContact OD1-N 3.12Å; D424-R427 HydrophobicContact CB-CB 4.47Å; D424-R427 HydrophobicContact CB-CG 3.87Å; D424-Y483 VanDerWaalsContact CG-OH 3.31Å; D424-Y483 PolarHBondContact OD1-OH 2.69Å; D424-Y483 VanDerWaalsContact OD2-CE1 3.26Å; D424-Y483 WeakPolarHBondContact OD2-CE1 3.31Å; D424-Y483 VanDerWaalsContact OD2-CZ 3.3Å; D424-Y483 PolarHBondContact OD2-OH 3.37Å |
| 425 | E | 94.1 | Very high | 93.4 | Very high | 34 Ų | 34 | 39.5 Ų | 39.5 | 16% | 0.159 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -65.9 | -34.6 | -177.6 | 67 | 178.4 | -174 | 0 | 0 | 112.9 | K384 S413 Q415 S423 R427 | K384-E425 VanDerWaalsContact CE-OE1 3.25Å; K384-E425 WeakPolarHBondContact CE-OE1 3.25Å; K384-E425 IonicContact NZ-OE1 3.3Å; S413-E425 WeakPolarHBondContact CB-O 3.38Å; Q415-E425 HydrophobicContact CG-CB 4.23Å; S423-E425 PolarHBondContact O-N 3.37Å; E425-R427 VanDerWaalsContact C-N 3.32Å; E425-R427 PolarHBondContact O-N 3.28Å |
| 426 | L | 94.8 | Very high | 93.2 | Very high | 17 Ų | 17 | 38.8 Ų | 38.8 | 9% | 0.089 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -78.2 | -20.1 | -173 | -68.1 | -180 | 0 | 0 | 0 | 112.8 | D424 C428 S429 M458 S462 Y483 | D424-L426 PolarHBondContact O-N 3.18Å; D424-L426 PolarHBondContact OD1-N 3.12Å; L426-C428 PolarHBondContact O-N 2.96Å; L426-S429 PolarHBondContact O-OG 3.33Å; L426-M458 HydrophobicContact CD1-CB 4.28Å; L426-M458 HydrophobicContact CD1-CG 4.5Å; L426-M458 HydrophobicContact CD2-CB 4.25Å; L426-M458 HydrophobicContact CD2-CE 4Å; L426-S462 WeakPolarHBondContact O-CB 3.46Å; L426-Y483 HydrophobicContact CB-CD1 3.86Å; L426-Y483 HydrophobicContact CB-CE1 3.66Å; L426-Y483 HydrophobicContact CB-CE2 4.4Å; L426-Y483 HydrophobicContact CB-CG 4.3Å; L426-Y483 HydrophobicContact CD1-CD2 3.79Å; L426-Y483 HydrophobicContact CD1-CE1 4.34Å; L426-Y483 HydrophobicContact CD1-CE2 3.54Å; L426-Y483 HydrophobicContact CD1-CG 4.29Å |
| 427 | R | 94.4 | Very high | 93.2 | Very high | 46 Ų | 46 | 40.6 Ų | 40.6 | 17% | 0.174 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -69.6 | -19.6 | 179.5 | -67.4 | -166.9 | 172.9 | -131.5 | -0.2 | 113.4 | Y345 D424 E425 S462 Y483 | Y345-R427 HydrophobicContact CD1-CB 4.3Å; Y345-R427 HydrophobicContact CD1-CG 4.49Å; Y345-R427 HydrophobicContact CD2-CB 3.53Å; Y345-R427 HydrophobicContact CD2-CG 4.43Å; Y345-R427 HydrophobicContact CE2-CB 3.94Å; Y345-R427 HydrophobicContact CG-CB 3.71Å; Y345-R427 HydrophobicContact CG-CG 4.37Å; Y345-R427 PolarHBondContact OH-NH1 3.4Å; D424-R427 HydrophobicContact CB-CB 4.47Å; D424-R427 HydrophobicContact CB-CG 3.87Å; E425-R427 VanDerWaalsContact C-N 3.32Å; E425-R427 PolarHBondContact O-N 3.28Å; R427-S462 WeakPolarHBondContact O-CB 3.21Å; R427-S462 PolarHBondContact O-OG 3.17Å; R427-Y483 HydrophobicContact CG-CE1 4.31Å |
| 428 | C | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -140.5 | 77.1 | 176.3 | -162.5 | 0 | 0 | 0 | 0 | 110.5 | P346 S413 V414 L426 S462 | P346-C428 VanDerWaalsContact C-SG 3.54Å; P346-C428 HydrophobicContact CB-CB 4.33Å; P346-C428 WeakPolarHBondContact O-CB 3.36Å; P346-C428 PolarHBondContact O-SG 3.25Å; S413-C428 CarbonylContact C-O 3.45Å; S413-C428 VanDerWaalsContact CA-O 3.31Å; S413-C428 WeakPolarHBondContact CA-O 3.48Å; V414-C428 PolarHBondContact N-O 3.05Å; V414-C428 WeakPolarHBondContact O-CB 3.27Å; L426-C428 PolarHBondContact O-N 2.96Å; C428-S462 WeakPolarHBondContact CA-OG 3.02Å |
| 429 | S | 97 | Very high | 93.5 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 153.6 | -175.1 | 65.9 | 0 | 0 | 0 | 0 | 113.3 | I412 S413 L426 N461 S462 | I412-S429 CarbonylContact O-C 3.51Å; I412-S429 WeakPolarHBondContact O-CA 3.41Å; S413-S429 WeakPolarHBondContact OG-CB 3.21Å; L426-S429 PolarHBondContact O-OG 3.33Å; S429-N461 WeakPolarHBondContact O-CA 3.27Å; S429-S462 PolarHBondContact N-OG 3.25Å; S429-S462 PolarHBondContact O-N 3.41Å; S429-S462 PolarHBondContact O-OG 3.16Å |
| 430 | L | 96.3 | Very high | 93.9 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 156.5 | 169.9 | 63.3 | 77 | 0 | 0 | 0 | 111.7 | I349 L351 I412 V432 S460 N461 | I349-L430 HydrophobicContact CB-CD2 4.45Å; I349-L430 HydrophobicContact CD1-CD2 4.19Å; I349-L430 HydrophobicContact CD1-CG 4.01Å; I349-L430 HydrophobicContact CG1-CD2 3.81Å; I349-L430 HydrophobicContact CG1-CG 4.2Å; I349-L430 HydrophobicContact CG2-CB 4.39Å; I349-L430 HydrophobicContact CG2-CD2 4.16Å; I349-L430 HydrophobicContact CG2-CG 4.42Å; L351-L430 HydrophobicContact CB-CD2 4.23Å; I412-L430 HydrophobicContact CB-CD1 4.45Å; I412-L430 HydrophobicContact CD1-CD1 4.45Å; I412-L430 PolarHBondContact N-O 2.92Å; I412-L430 PolarHBondContact O-N 3.33Å; L430-V432 HydrophobicContact CD1-CG1 3.29Å; L430-S460 CarbonylContact C-O 3.54Å; L430-S460 WeakPolarHBondContact CA-O 3.34Å; L430-N461 HydrophobicContact CB-CB 4.43Å |
| 431 | L | 96.3 | Very high | 94.2 | Very high | 26 Ų | 26 | 27.9 Ų | 27.9 | 14% | 0.136 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 141 | 171.6 | -66.3 | -178.1 | 0 | 0 | 0 | 111.4 | T409 Y410 R411 V436 Y441 S460 | T409-L431 HydrophobicContact CG2-CB 4.38Å; T409-L431 HydrophobicContact CG2-CD2 4.37Å; Y410-L431 WeakPolarHBondContact O-CA 3.44Å; R411-L431 HydrophobicContact CB-CD2 3.79Å; R411-L431 HydrophobicContact CG-CD2 4.23Å; L431-V436 HydrophobicContact CB-CG1 3.85Å; L431-V436 HydrophobicContact CB-CG2 4.01Å; L431-Y441 HydrophobicContact CD1-CD1 4.02Å; L431-Y441 HydrophobicContact CD1-CE1 3.6Å; L431-Y441 HydrophobicContact CG-CE1 4.27Å; L431-S460 PolarHBondContact N-O 3.34Å |
| 432 | V | 95 | Very high | 94.4 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 158.6 | 172.2 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | L351 V359 L405 T409 Y410 I412 L430 | L351-V432 HydrophobicContact CD1-CG1 3.97Å; L351-V432 HydrophobicContact CD2-CG1 4.03Å; V359-V432 HydrophobicContact CG1-CB 4.45Å; V359-V432 HydrophobicContact CG1-CG2 4.23Å; L405-V432 HydrophobicContact CD2-CG2 3.95Å; T409-V432 CarbonylContact C-O 3.49Å; T409-V432 WeakPolarHBondContact CA-O 3.37Å; Y410-V432 PolarHBondContact N-O 3.35Å; Y410-V432 PolarHBondContact O-N 2.9Å; I412-V432 HydrophobicContact CD1-CB 4.36Å; I412-V432 HydrophobicContact CD1-CG1 3.84Å; I412-V432 HydrophobicContact CD1-CG2 3.52Å; I412-V432 HydrophobicContact CG1-CG2 4.15Å; L430-V432 HydrophobicContact CD1-CG1 3.29Å |
| 433 | G | 91.9 | Very high | 94.5 | Very high | 13 Ų | 13 | 32.7 Ų | 32.7 | 13% | 0.134 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 102.7 | -147.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L405 | L405-G433 CarbonylContact O-C 3.53Å |
| 434 | K | 90.9 | Very high | 94.6 | Very high | 96 Ų | 96 | 40 Ų | 40 | 42% | 0.417 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | 144.8 | -172.7 | -158 | -164.6 | 174 | -174.1 | 0 | 111.3 | L405 A406 N408 T409 V436 | L405-K434 PolarHBondContact O-N 3.32Å; L405-K434 VanDerWaalsContact O-N 3.13Å; A406-K434 WeakPolarHBondContact O-CD 3.4Å; N408-K434 PolarHBondContact O-N 2.95Å; N408-K434 VanDerWaalsContact O-N 3.16Å; T409-K434 PolarHBondContact OG1-O 3.48Å; K434-V436 PolarHBondContact O-N 3.02Å |
| 435 | D | 88.2 | Confident | 94.8 | Very high | 101 Ų | 101 | 38.6 Ų | 38.6 | 54% | 0.54 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 23.8 | 168.7 | -54.4 | -40.6 | 0 | 0 | 0 | 115.9 | V437 | D435-V437 PolarHBondContact O-N 3.46Š|
| 436 | V | 93.4 | Very high | 94.8 | Very high | 10 Ų | 10 | 38.5 Ų | 38.5 | 6% | 0.061 | 18% | 0.178 | C | C | . | . | trans | -68 | 129.1 | 177.2 | 176.2 | 0 | 0 | 0 | 0 | 110.3 | T409 L431 K434 L511 Q515 | T409-V436 HydrophobicContact CG2-CG2 3.71Å; L431-V436 HydrophobicContact CB-CG1 3.85Å; L431-V436 HydrophobicContact CB-CG2 4.01Å; K434-V436 PolarHBondContact O-N 3.02Å; V436-L511 HydrophobicContact CB-CD2 4Å; V436-L511 HydrophobicContact CG1-CD2 3.92Å; V436-Q515 WeakPolarHBondContact O-CB 3.22Å; V436-Q515 VanDerWaalsContact O-CD 3.3Å; V436-Q515 PolarHBondContact O-OE1 2.95Å | ||
| 437 | V | 94.9 | Very high | 94.6 | Very high | 38 Ų | 38 | 40.3 Ų | 40.3 | 23% | 0.23 | 20% | 0.201 | C | C | . | . | trans | -121.2 | 167.1 | 177.2 | -63.1 | 0 | 0 | 0 | 0 | 111.1 | D435 A439 S460 Q515 K518 | D435-V437 PolarHBondContact O-N 3.46Å; V437-A439 HydrophobicContact CG2-CB 4.09Å; V437-S460 VanDerWaalsContact O-CB 3.24Å; V437-S460 WeakPolarHBondContact O-CB 3.41Å; V437-Q515 HydrophobicContact CG1-CB 4.08Å; V437-Q515 HydrophobicContact CG1-CG 4.1Å; V437-K518 HydrophobicContact CB-CB 4.09Å; V437-K518 HydrophobicContact CG1-CB 4.14Å; V437-K518 HydrophobicContact CG1-CD 3.94Å | ||
| 438 | V | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -72.1 | -32.8 | 176.4 | 174.2 | 0 | 0 | 0 | 0 | 111.6 | S460 Y464 A502 P504 P508 L511 Q515 K518 R519 | V438-S460 PolarHBondContact O-OG 3.08Å; V438-Y464 HydrophobicContact CB-CE2 4.48Å; V438-Y464 HydrophobicContact CG1-CD2 4.17Å; V438-Y464 HydrophobicContact CG1-CE2 3.89Å; V438-A502 HydrophobicContact CG1-CB 3.97Å; V438-A502 WeakPolarHBondContact O-CB 3.34Å; V438-P504 HydrophobicContact CG1-CG 3.55Å; V438-P508 HydrophobicContact CG2-CG 4.1Å; V438-L511 HydrophobicContact CG2-CD1 3.9Å; V438-Q515 PolarHBondContact N-O 3.24Å; V438-K518 CarbonylContact C-O 3.53Å; V438-K518 PolarHBondContact N-O 3.49Å; V438-R519 HydrophobicContact CB-CG 4.02Å; V438-R519 HydrophobicContact CG1-CB 4.29Å; V438-R519 HydrophobicContact CG1-CG 3.79Å |
| 439 | A | 96.1 | Very high | 94.3 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -57.4 | 141.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V437 S460 K518 | V437-A439 HydrophobicContact CG2-CB 4.09Å; A439-S460 WeakPolarHBondContact O-CB 3.49Å; A439-K518 WeakPolarHBondContact CB-O 3.12Å; A439-K518 PolarHBondContact N-O 2.98Å |
| 440 | P | 96.4 | Very high | 93.8 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.019 | 22% | 0.22 | C | C | . | . | trans | -68.9 | 165 | 166.1 | 28.3 | -25.5 | 0 | 0 | 0 | 110.2 | W457 M458 V500 I521 | P440-W457 HydrophobicContact CB-CB 4.37Å; P440-W457 HydrophobicContact CB-CG 4.27Å; P440-M458 CarbonylContact C-O 3.48Å; P440-M458 WeakPolarHBondContact CA-O 3.17Å; P440-M458 WeakPolarHBondContact CB-O 3.37Å; P440-V500 HydrophobicContact CG-CB 4.4Å; P440-V500 HydrophobicContact CG-CG1 3.99Å; P440-I521 HydrophobicContact CB-CG2 4.44Å; P440-I521 HydrophobicContact CG-CG2 3.71Å | ||
| 441 | Y | 94.2 | Very high | 93.4 | Very high | 42 Ų | 42 | 44.5 Ų | 44.5 | 17% | 0.165 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 166.9 | -176.2 | 57.5 | -74.8 | 0 | 0 | 0 | 110.2 | R411 L431 L443 M458 P459 | R411-Y441 PolarHBondContact NE-OH 3.05Å; R411-Y441 PolarHBondContact NH2-OH 3.19Å; L431-Y441 HydrophobicContact CD1-CD1 4.02Å; L431-Y441 HydrophobicContact CD1-CE1 3.6Å; L431-Y441 HydrophobicContact CG-CE1 4.27Å; Y441-L443 PolarHBondContact O-N 3.43Å; Y441-M458 VanDerWaalsContact CD1-O 3.25Å; Y441-M458 WeakPolarHBondContact CD1-O 3.26Å; Y441-M458 HydrophobicContact CD2-SD 4.18Å; Y441-M458 HydrophobicContact CE1-CB 4.49Å; Y441-M458 WeakPolarHBondContact CE1-O 3.13Å; Y441-M458 HydrophobicContact CE2-CB 4.24Å; Y441-M458 HydrophobicContact CE2-CE 4.02Å; Y441-M458 HydrophobicContact CE2-CG 4.25Å; Y441-M458 HydrophobicContact CE2-SD 3.33Å; Y441-M458 WeakPolarHBondContact CE2-SD 3.36Å; Y441-M458 PolarHBondContact N-O 3.43Å; Y441-M458 WeakPolarHBondContact O-CA 3.36Å; Y441-M458 PolarHBondContact O-N 2.77Å; Y441-M458 WeakPolarHBondContact OH-CE 3.45Å; Y441-P459 WeakPolarHBondContact CE1-O 3.03Å; Y441-P459 PolarHBondContact OH-O 3.28Å |
| 442 | Y | 94.4 | Very high | 93.1 | Very high | 176 Ų | 176 | 44 Ų | 44 | 69% | 0.69 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 49.1 | 55.3 | -173 | -62.9 | -64.1 | 0 | 0 | 0 | 113.7 | R444 M458 | Y442-R444 PolarHBondContact O-N 2.78Å; Y442-M458 HydrophobicContact CD2-SD 3.56Å; Y442-M458 VanDerWaalsContact CD2-SD 3.56Å; Y442-M458 HydrophobicContact CE2-SD 4.37Å; Y442-M458 HydrophobicContact CG-SD 4.36Å |
| 443 | L | 96.5 | Very high | 93.2 | Very high | 21 Ų | 21 | 44 Ų | 44 | 11% | 0.11 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 122.9 | 171 | -171 | 66.6 | 0 | 0 | 0 | 109.6 | Y441 L455 W457 V500 I521 V523 | Y441-L443 PolarHBondContact O-N 3.43Å; L443-L455 HydrophobicContact CD1-CD1 3.64Å; L443-L455 HydrophobicContact CD1-CD2 4.48Å; L443-L455 HydrophobicContact CD1-CG 4.07Å; L443-L455 HydrophobicContact CG-CD1 4.1Å; L443-W457 HydrophobicContact CD1-CB 3.8Å; L443-W457 HydrophobicContact CD1-CE3 4.42Å; L443-V500 HydrophobicContact CD1-CB 4.3Å; L443-V500 HydrophobicContact CD1-CG2 3.56Å; L443-V500 HydrophobicContact CD2-CG2 4.21Å; L443-I521 HydrophobicContact CB-CD1 3.81Å; L443-I521 HydrophobicContact CB-CG1 3.95Å; L443-I521 HydrophobicContact CB-CG2 3.97Å; L443-I521 HydrophobicContact CD2-CG1 4.5Å; L443-I521 HydrophobicContact CD2-CG2 4.09Å; L443-I521 HydrophobicContact CG-CG2 4.43Å; L443-V523 HydrophobicContact CD2-CB 3.97Å; L443-V523 HydrophobicContact CD2-CG1 3.5Å; L443-V523 VanDerWaalsContact CD2-CG1 3.5Å; L443-V523 HydrophobicContact CG-CB 4.39Å; L443-V523 HydrophobicContact CG-CG1 3.82Å |
| 444 | R | 96.3 | Very high | 93.4 | Very high | 153 Ų | 153 | 47.2 Ų | 47.2 | 58% | 0.577 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 140.4 | -177.5 | -171.1 | -177.8 | 178 | -122.7 | -1.5 | 110.4 | Y442 D446 L455 S456 | Y442-R444 PolarHBondContact O-N 2.78Å; R444-D446 WeakPolarHBondContact CD-OD2 3.15Å; R444-D446 VanDerWaalsContact CG-OD2 3.23Å; R444-D446 WeakPolarHBondContact CG-OD2 3.1Å; R444-D446 IonicContact CZ-OD1 3.86Å; R444-D446 IonicContact CZ-OD2 2.67Å; R444-D446 IonicContact NE-OD1 3.47Å; R444-D446 PolarHBondContact NE-OD1 2.8Å; R444-D446 IonicContact NE-OD2 2.76Å; R444-D446 PolarHBondContact NE-OD2 2.85Å; R444-D446 VanDerWaalsContact NE-OD2 3.14Å; R444-D446 IonicContact NH1-OD1 3.25Å; R444-D446 PolarHBondContact NH1-OD1 3.48Å; R444-D446 VanDerWaalsContact NH1-OD1 3.13Å; R444-D446 IonicContact NH1-OD2 3.51Å; R444-D446 PolarHBondContact NH1-OD2 2.9Å; R444-D446 IonicContact NH2-OD1 3.96Å; R444-D446 PolarHBondContact NH2-OD1 3.37Å; R444-D446 IonicContact NH2-OD2 3.46Å; R444-L455 WeakPolarHBondContact O-CA 3.46Å; R444-S456 PolarHBondContact N-O 3.3Å; R444-S456 PolarHBondContact O-N 2.73Å |
| 445 | V | 97.3 | Very high | 93.7 | Very high | 20 Ų | 20 | 42.7 Ų | 42.7 | 12% | 0.121 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 126.4 | 171.7 | -167.8 | 0 | 0 | 0 | 0 | 108.9 | I448 A453 E454 L455 V523 F525 | V445-I448 HydrophobicContact CB-CD1 4.41Å; V445-I448 HydrophobicContact CG1-CD1 4.04Å; V445-I448 HydrophobicContact CG1-CG1 3.82Å; V445-A453 HydrophobicContact CG1-CB 3.77Å; V445-E454 CarbonylContact C-O 3.38Å; V445-E454 VanDerWaalsContact CA-O 3.31Å; V445-E454 WeakPolarHBondContact CA-O 3.31Å; V445-L455 HydrophobicContact CG2-CD1 3.77Å; V445-V523 HydrophobicContact CG2-CG1 3.52Å; V445-F525 HydrophobicContact CB-CB 4.24Å; V445-F525 HydrophobicContact CB-CD1 4.47Å; V445-F525 HydrophobicContact CB-CG 4.34Å; V445-F525 HydrophobicContact CG1-CB 4.2Å; V445-F525 HydrophobicContact CG1-CD1 3.99Å; V445-F525 HydrophobicContact CG1-CD2 4.07Å; V445-F525 HydrophobicContact CG1-CE1 4.37Å; V445-F525 HydrophobicContact CG1-CE2 4.45Å; V445-F525 HydrophobicContact CG1-CG 3.82Å; V445-F525 HydrophobicContact CG2-CB 4.35Å; V445-F525 HydrophobicContact CG2-CD1 4.05Å; V445-F525 HydrophobicContact CG2-CG 4.36Å |
| 446 | D | 94.5 | Very high | 94.2 | Very high | 32 Ų | 32 | 39.1 Ų | 39.1 | 17% | 0.171 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 172.8 | -174.2 | -66.2 | -60.3 | 0 | 0 | 0 | 111.9 | R444 I448 E454 | R444-D446 WeakPolarHBondContact CD-OD2 3.15Å; R444-D446 VanDerWaalsContact CG-OD2 3.23Å; R444-D446 WeakPolarHBondContact CG-OD2 3.1Å; R444-D446 IonicContact CZ-OD1 3.86Å; R444-D446 IonicContact CZ-OD2 2.67Å; R444-D446 IonicContact NE-OD1 3.47Å; R444-D446 PolarHBondContact NE-OD1 2.8Å; R444-D446 IonicContact NE-OD2 2.76Å; R444-D446 PolarHBondContact NE-OD2 2.85Å; R444-D446 VanDerWaalsContact NE-OD2 3.14Å; R444-D446 IonicContact NH1-OD1 3.25Å; R444-D446 PolarHBondContact NH1-OD1 3.48Å; R444-D446 VanDerWaalsContact NH1-OD1 3.13Å; R444-D446 IonicContact NH1-OD2 3.51Å; R444-D446 PolarHBondContact NH1-OD2 2.9Å; R444-D446 IonicContact NH2-OD1 3.96Å; R444-D446 PolarHBondContact NH2-OD1 3.37Å; R444-D446 IonicContact NH2-OD2 3.46Å; D446-I448 PolarHBondContact O-N 3.25Å; D446-E454 PolarHBondContact N-O 3.4Å; D446-E454 PolarHBondContact O-N 2.81Å |
| 447 | G | 91.5 | Very high | 94.3 | Very high | 55 Ų | 55 | 38.8 Ų | 38.8 | 57% | 0.567 | 20% | 0.201 | S | C | * | . | S | Bend | trans | 53.6 | 32.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T449 | G447-T449 PolarHBondContact O-N 3.31Å; G447-T449 VanDerWaalsContact O-N 3.14Å |
| 448 | I | 93.6 | Very high | 94.4 | Very high | 43 Ų | 43 | 38.7 Ų | 38.7 | 22% | 0.221 | 20% | 0.199 | C | C | . | . | trans | -70.3 | 111.7 | -175.5 | -57.9 | 166.8 | 0 | 0 | 0 | 107.6 | V445 D446 A453 F525 C526 Q528 | V445-I448 HydrophobicContact CB-CD1 4.41Å; V445-I448 HydrophobicContact CG1-CD1 4.04Å; V445-I448 HydrophobicContact CG1-CG1 3.82Å; D446-I448 PolarHBondContact O-N 3.25Å; I448-A453 HydrophobicContact CG1-CB 4.2Å; I448-F525 HydrophobicContact CD1-CB 3.98Å; I448-F525 HydrophobicContact CD1-CD2 4.02Å; I448-F525 HydrophobicContact CD1-CG 4.37Å; I448-F525 HydrophobicContact CG1-CD2 4.1Å; I448-F525 HydrophobicContact CG2-CD2 3.99Å; I448-F525 HydrophobicContact CG2-CE2 4.32Å; I448-C526 WeakPolarHBondContact CG2-O 3.5Å; I448-Q528 VanDerWaalsContact O-CD 3.27Å; I448-Q528 WeakPolarHBondContact O-CG 3.36Å; I448-Q528 PolarHBondContact O-NE2 3.06Å | ||
| 449 | T | 89.5 | Confident | 94.5 | Very high | 42 Ų | 42 | 38.8 Ų | 38.8 | 26% | 0.258 | 20% | 0.2 | S | C | . | . | trans | -103 | -172.9 | 171.2 | 76.2 | 0 | 0 | 0 | 0 | 109.1 | G447 S451 S452 Q528 | G447-T449 PolarHBondContact O-N 3.31Å; G447-T449 VanDerWaalsContact O-N 3.14Å; T449-S451 PolarHBondContact O-N 3.14Å; T449-S451 PolarHBondContact OG1-N 2.92Å; T449-S451 VanDerWaalsContact OG1-N 3.1Å; T449-S452 WeakPolarHBondContact CG2-OG 3.36Å; T449-S452 PolarHBondContact N-O 2.79Å; T449-S452 PolarHBondContact OG1-N 3.5Å; T449-S452 PolarHBondContact OG1-O 2.96Å; T449-S452 PolarHBondContact OG1-OG 3.31Å; T449-Q528 PolarHBondContact O-N 3.23Å; T449-Q528 VanDerWaalsContact O-N 3.14Å | ||
| 450 | Q | 87.5 | Confident | 94.4 | Very high | 20 Ų | 20 | 38.6 Ų | 38.6 | 9% | 0.093 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -69.9 | -13.8 | 171.4 | 70.6 | -77.9 | -11.4 | 0 | 0 | 114.3 | S492 Q528 P529 N566 | Q450-S492 VanDerWaalsContact O-CA 3.23Å; Q450-S492 WeakPolarHBondContact O-CA 3.44Å; Q450-S492 PolarHBondContact O-N 2.95Å; Q450-Q528 WeakPolarHBondContact CA-O 3.39Å; Q450-Q528 HydrophobicContact CB-CB 4.38Å; Q450-Q528 WeakPolarHBondContact CB-O 3.49Å; Q450-P529 WeakPolarHBondContact CB-O 3.41Å; Q450-N566 VanDerWaalsContact CD-OD1 3.25Å; Q450-N566 VanDerWaalsContact CG-C 3.49Å; Q450-N566 WeakPolarHBondContact CG-O 3.24Å; Q450-N566 VanDerWaalsContact NE2-CA 3.33Å; Q450-N566 PolarHBondContact NE2-OD1 3.32Å; Q450-N566 PolarHBondContact OE1-OD1 2.9Å |
| 451 | S | 86.8 | Confident | 94.4 | Very high | 33 Ų | 33 | 39.5 Ų | 39.5 | 23% | 0.231 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -142.2 | 1.3 | -173.9 | 62.3 | 0 | 0 | 0 | 0 | 115 | T449 F488 N489 L490 | T449-S451 PolarHBondContact O-N 3.14Å; T449-S451 PolarHBondContact OG1-N 2.92Å; T449-S451 VanDerWaalsContact OG1-N 3.1Å; S451-F488 CarbonylContact O-C 3.56Å; S451-N489 PolarHBondContact O-N 2.87Å; S451-L490 WeakPolarHBondContact CA-O 3.49Å; S451-L490 PolarHBondContact O-N 3.21Å |
| 452 | S | 91.6 | Very high | 94.5 | Very high | 17 Ų | 17 | 37.7 Ų | 37.7 | 12% | 0.119 | 20% | 0.196 | C | C | . | . | trans | -146.3 | 158.4 | 179.7 | 69.6 | 0 | 0 | 0 | 0 | 110.8 | T449 F487 | T449-S452 WeakPolarHBondContact CG2-OG 3.36Å; T449-S452 PolarHBondContact N-O 2.79Å; T449-S452 PolarHBondContact OG1-N 3.5Å; T449-S452 PolarHBondContact OG1-O 2.96Å; T449-S452 PolarHBondContact OG1-OG 3.31Å; S452-F487 WeakPolarHBondContact CA-O 3.47Å; S452-F487 WeakPolarHBondContact CB-O 3.48Å | ||
| 453 | A | 95.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 149.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109 | V445 I448 F487 L490 F525 | V445-A453 HydrophobicContact CG1-CB 3.77Å; I448-A453 HydrophobicContact CG1-CB 4.2Å; A453-F487 HydrophobicContact CB-CD2 4.16Å; A453-F487 PolarHBondContact N-O 2.98Å; A453-F487 PolarHBondContact O-N 3.13Å; A453-L490 HydrophobicContact CB-CD1 4.08Å; A453-F525 HydrophobicContact CB-CD2 4.24Å; A453-F525 HydrophobicContact CB-CE2 3.52Å; A453-F525 HydrophobicContact CB-CZ 3.76Å |
| 454 | E | 96.8 | Very high | 94.5 | Very high | 80 Ų | 80 | 31.3 Ų | 31.3 | 37% | 0.374 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 122.7 | 175.8 | -173 | 173.8 | -178.3 | 0 | 0 | 109.3 | V445 D446 Y485 | V445-E454 CarbonylContact C-O 3.38Å; V445-E454 VanDerWaalsContact CA-O 3.31Å; V445-E454 WeakPolarHBondContact CA-O 3.31Å; D446-E454 PolarHBondContact N-O 3.4Å; D446-E454 PolarHBondContact O-N 2.81Å; E454-Y485 CarbonylContact C-O 3.54Å |
| 455 | L | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 136.2 | 177.7 | -172.4 | 68.7 | 0 | 0 | 0 | 109.1 | L443 R444 V445 W457 I468 R484 Y485 F487 V498 V500 | L443-L455 HydrophobicContact CD1-CD1 3.64Å; L443-L455 HydrophobicContact CD1-CD2 4.48Å; L443-L455 HydrophobicContact CD1-CG 4.07Å; L443-L455 HydrophobicContact CG-CD1 4.1Å; R444-L455 WeakPolarHBondContact O-CA 3.46Å; V445-L455 HydrophobicContact CG2-CD1 3.77Å; L455-W457 HydrophobicContact CD2-CE3 4.13Å; L455-W457 HydrophobicContact CD2-CZ3 3.86Å; L455-W457 HydrophobicContact CG-CE3 4.02Å; L455-W457 HydrophobicContact CG-CZ3 4.04Å; L455-I468 HydrophobicContact CD2-CD1 4.05Å; L455-I468 HydrophobicContact CD2-CG1 4.35Å; L455-I468 HydrophobicContact CD2-CG2 4.17Å; L455-R484 CarbonylContact O-C 3.55Å; L455-R484 VanDerWaalsContact O-CA 3.22Å; L455-R484 WeakPolarHBondContact O-CA 3.35Å; L455-Y485 PolarHBondContact N-O 2.99Å; L455-Y485 PolarHBondContact O-N 3.42Å; L455-F487 HydrophobicContact CB-CE2 3.86Å; L455-F487 HydrophobicContact CD2-CE2 4.1Å; L455-F487 HydrophobicContact CD2-CZ 4.06Å; L455-F487 HydrophobicContact CG-CE2 4.4Å; L455-V498 HydrophobicContact CD1-CB 4.5Å; L455-V498 HydrophobicContact CD1-CG1 3.83Å; L455-V498 HydrophobicContact CD2-CG1 3.69Å; L455-V498 HydrophobicContact CG-CG1 4.42Å; L455-V500 HydrophobicContact CD2-CG2 3.78Å |
| 456 | S | 97.5 | Very high | 94.4 | Very high | 27 Ų | 27 | 23.7 Ų | 23.7 | 19% | 0.189 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 148.1 | 171.6 | 58.9 | 0 | 0 | 0 | 0 | 111.3 | R444 Y483 | R444-S456 PolarHBondContact N-O 3.3Å; R444-S456 PolarHBondContact O-N 2.73Å; S456-Y483 WeakPolarHBondContact CA-O 3.44Å |
| 457 | W | 97.5 | Very high | 94.6 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 1% | 0.011 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 157.7 | 178.4 | 61.7 | 94.1 | 0 | 0 | 0 | 113.5 | P440 L443 L455 P459 H466 I468 V478 Y483 V500 | P440-W457 HydrophobicContact CB-CB 4.37Å; P440-W457 HydrophobicContact CB-CG 4.27Å; L443-W457 HydrophobicContact CD1-CB 3.8Å; L443-W457 HydrophobicContact CD1-CE3 4.42Å; L455-W457 HydrophobicContact CD2-CE3 4.13Å; L455-W457 HydrophobicContact CD2-CZ3 3.86Å; L455-W457 HydrophobicContact CG-CE3 4.02Å; L455-W457 HydrophobicContact CG-CZ3 4.04Å; W457-P459 WeakPolarHBondContact O-CD 3.26Å; W457-H466 AromaticContact CE2-CG 3.88Å; W457-H466 HydrophobicContact CZ2-CB 3.7Å; W457-H466 AromaticContact CZ2-CG 3.95Å; W457-H466 AromaticContact NE1-CD2 3.37Å; W457-H466 PolarHBondContact NE1-CD2 2.82Å; W457-H466 AromaticContact NE1-CE1 3.67Å; W457-H466 AromaticContact NE1-CG 3.39Å; W457-H466 AromaticContact NE1-ND1 3.56Å; W457-H466 AromaticContact NE1-NE2 3.53Å; W457-I468 HydrophobicContact CH2-CD1 4.17Å; W457-I468 HydrophobicContact CZ3-CD1 4.35Å; W457-V478 HydrophobicContact CH2-CB 4.13Å; W457-V478 HydrophobicContact CH2-CG1 4.25Å; W457-V478 HydrophobicContact CH2-CG2 3.9Å; W457-V478 HydrophobicContact CZ2-CB 4.17Å; W457-V478 HydrophobicContact CZ2-CG1 4.16Å; W457-V478 HydrophobicContact CZ2-CG2 4.44Å; W457-Y483 VanDerWaalsContact CE2-CA 3.49Å; W457-Y483 VanDerWaalsContact CE3-O 3.31Å; W457-Y483 PolarHBondContact N-O 2.96Å; W457-V500 HydrophobicContact CD2-CG1 4.23Å; W457-V500 HydrophobicContact CE3-CG2 4.41Å |
| 458 | M | 96.3 | Very high | 94.9 | Very high | 35 Ų | 35 | 19.6 Ų | 19.6 | 17% | 0.172 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 98.8 | 166.1 | 53.4 | 105.3 | 62.7 | 0 | 0 | 113.7 | L426 P440 Y441 Y442 | L426-M458 HydrophobicContact CD1-CB 4.28Å; L426-M458 HydrophobicContact CD1-CG 4.5Å; L426-M458 HydrophobicContact CD2-CB 4.25Å; L426-M458 HydrophobicContact CD2-CE 4Å; P440-M458 CarbonylContact C-O 3.48Å; P440-M458 WeakPolarHBondContact CA-O 3.17Å; P440-M458 WeakPolarHBondContact CB-O 3.37Å; Y441-M458 VanDerWaalsContact CD1-O 3.25Å; Y441-M458 WeakPolarHBondContact CD1-O 3.26Å; Y441-M458 HydrophobicContact CD2-SD 4.18Å; Y441-M458 HydrophobicContact CE1-CB 4.49Å; Y441-M458 WeakPolarHBondContact CE1-O 3.13Å; Y441-M458 HydrophobicContact CE2-CB 4.24Å; Y441-M458 HydrophobicContact CE2-CE 4.02Å; Y441-M458 HydrophobicContact CE2-CG 4.25Å; Y441-M458 HydrophobicContact CE2-SD 3.33Å; Y441-M458 WeakPolarHBondContact CE2-SD 3.36Å; Y441-M458 PolarHBondContact N-O 3.43Å; Y441-M458 WeakPolarHBondContact O-CA 3.36Å; Y441-M458 PolarHBondContact O-N 2.77Å; Y441-M458 WeakPolarHBondContact OH-CE 3.45Å; Y442-M458 HydrophobicContact CD2-SD 3.56Å; Y442-M458 VanDerWaalsContact CD2-SD 3.56Å; Y442-M458 HydrophobicContact CE2-SD 4.37Å; Y442-M458 HydrophobicContact CG-SD 4.36Å |
| 459 | P | 96.4 | Very high | 95.1 | Very high | 3 Ų | 3 | 19.5 Ų | 19.5 | 2% | 0.019 | 11% | 0.106 | C | C | . | . | trans | -68.2 | 139.9 | 175.1 | 28.6 | -33 | 0 | 0 | 0 | 110.4 | Y441 W457 N461 | Y441-P459 WeakPolarHBondContact CE1-O 3.03Å; Y441-P459 PolarHBondContact OH-O 3.28Å; W457-P459 WeakPolarHBondContact O-CD 3.26Å; P459-N461 VanDerWaalsContact C-N 3.34Å | ||
| 460 | S | 95.6 | Very high | 95.4 | Very high | 4 Ų | 4 | 18.4 Ų | 18.4 | 3% | 0.028 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -72.1 | -34.1 | 170.4 | 60 | 0 | 0 | 0 | 0 | 111.2 | L430 L431 V437 V438 A439 | L430-S460 CarbonylContact C-O 3.54Å; L430-S460 WeakPolarHBondContact CA-O 3.34Å; L431-S460 PolarHBondContact N-O 3.34Å; V437-S460 VanDerWaalsContact O-CB 3.24Å; V437-S460 WeakPolarHBondContact O-CB 3.41Å; V438-S460 PolarHBondContact O-OG 3.08Å; A439-S460 WeakPolarHBondContact O-CB 3.49Å |
| 461 | N | 95.8 | Very high | 95.8 | Very high | 22 Ų | 22 | 22 Ų | 22 | 12% | 0.118 | 12% | 0.118 | C | C | . | . | B | Isolated β-bridge | trans | -147.4 | 125.7 | 172.7 | -170.7 | -36.9 | 0 | 0 | 0 | 108.3 | S429 L430 P459 N463 Y464 | S429-N461 WeakPolarHBondContact O-CA 3.27Å; L430-N461 HydrophobicContact CB-CB 4.43Å; P459-N461 VanDerWaalsContact C-N 3.34Å; N461-N463 PolarHBondContact O-N 3.47Å; N461-N463 VanDerWaalsContact OD1-CB 3.27Å; N461-N463 WeakPolarHBondContact OD1-CB 3.36Å; N461-N463 VanDerWaalsContact OD1-CG 3.31Å; N461-N463 PolarHBondContact OD1-N 3.3Å; N461-N463 PolarHBondContact OD1-ND2 2.77Å; N461-Y464 HydrophobicContact CB-CD1 4.19Å; N461-Y464 HydrophobicContact CB-CD2 3.8Å; N461-Y464 HydrophobicContact CB-CE1 3.92Å; N461-Y464 HydrophobicContact CB-CE2 3.5Å; N461-Y464 HydrophobicContact CB-CG 4.14Å; N461-Y464 PolarHBondContact O-N 3.39Å |
| 462 | S | 95.8 | Very high | 96 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 3% | 0.028 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -12.6 | -178.6 | 63.9 | 0 | 0 | 0 | 0 | 113.4 | L426 R427 C428 S429 Y464 A480 G481 | L426-S462 WeakPolarHBondContact O-CB 3.46Å; R427-S462 WeakPolarHBondContact O-CB 3.21Å; R427-S462 PolarHBondContact O-OG 3.17Å; C428-S462 WeakPolarHBondContact CA-OG 3.02Å; S429-S462 PolarHBondContact N-OG 3.25Å; S429-S462 PolarHBondContact O-N 3.41Å; S429-S462 PolarHBondContact O-OG 3.16Å; S462-Y464 VanDerWaalsContact C-N 3.26Å; S462-Y464 PolarHBondContact O-N 2.53Å; S462-A480 CarbonylContact O-C 3.57Å; S462-G481 PolarHBondContact O-N 2.87Å |
| 463 | N | 94.9 | Very high | 96.2 | Very high | 42 Ų | 42 | 25.6 Ų | 25.6 | 23% | 0.225 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -8.3 | 175.8 | -59.3 | -24.7 | 0 | 0 | 0 | 113.5 | R348 I349 N461 H505 | R348-N463 VanDerWaalsContact CA-OD1 3.27Å; R348-N463 WeakPolarHBondContact CA-OD1 3.18Å; I349-N463 PolarHBondContact N-OD1 2.81Å; I349-N463 PolarHBondContact O-ND2 2.93Å; N461-N463 PolarHBondContact O-N 3.47Å; N461-N463 VanDerWaalsContact OD1-CB 3.27Å; N461-N463 WeakPolarHBondContact OD1-CB 3.36Å; N461-N463 VanDerWaalsContact OD1-CG 3.31Å; N461-N463 PolarHBondContact OD1-N 3.3Å; N461-N463 PolarHBondContact OD1-ND2 2.77Å; N463-H505 PolarHBondContact O-CE1 2.85Å; N463-H505 VanDerWaalsContact O-CE1 3.25Å; N463-H505 PolarHBondContact O-ND1 2.88Å |
| 464 | Y | 95.4 | Very high | 96.2 | Very high | 22 Ų | 22 | 31.8 Ų | 31.8 | 9% | 0.086 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -84.7 | 136.1 | 177.9 | -56.8 | -17.8 | 0 | 0 | 0 | 109.5 | V438 N461 S462 H466 A502 P504 P508 | V438-Y464 HydrophobicContact CB-CE2 4.48Å; V438-Y464 HydrophobicContact CG1-CD2 4.17Å; V438-Y464 HydrophobicContact CG1-CE2 3.89Å; N461-Y464 HydrophobicContact CB-CD1 4.19Å; N461-Y464 HydrophobicContact CB-CD2 3.8Å; N461-Y464 HydrophobicContact CB-CE1 3.92Å; N461-Y464 HydrophobicContact CB-CE2 3.5Å; N461-Y464 HydrophobicContact CB-CG 4.14Å; N461-Y464 PolarHBondContact O-N 3.39Å; S462-Y464 VanDerWaalsContact C-N 3.26Å; S462-Y464 PolarHBondContact O-N 2.53Å; Y464-H466 PolarHBondContact O-CE1 3.28Å; Y464-H466 VanDerWaalsContact O-CE1 3.27Å; Y464-H466 PolarHBondContact O-ND1 3.04Å; Y464-A502 HydrophobicContact CD2-CB 4.11Å; Y464-P504 VanDerWaalsContact CD1-CA 3.5Å; Y464-P504 HydrophobicContact CD1-CB 3.71Å; Y464-P504 HydrophobicContact CD1-CG 3.94Å; Y464-P504 HydrophobicContact CD2-CG 4.19Å; Y464-P504 HydrophobicContact CE1-CB 3.56Å; Y464-P504 HydrophobicContact CE1-CG 3.81Å; Y464-P504 HydrophobicContact CE2-CG 4.06Å; Y464-P504 HydrophobicContact CG-CB 4.37Å; Y464-P504 HydrophobicContact CG-CG 4.13Å; Y464-P508 HydrophobicContact CE1-CG 4.44Å; Y464-P508 VanDerWaalsContact OH-CG 3.26Å; Y464-P508 WeakPolarHBondContact OH-CG 3.26Å |
| 465 | S | 96 | Very high | 96.1 | Very high | 12 Ų | 12 | 32.5 Ų | 32.5 | 8% | 0.084 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 159.7 | 160.3 | 50.7 | 0 | 0 | 0 | 0 | 109 | V478 Q503 | S465-V478 CarbonylContact C-O 3.49Å; S465-V478 WeakPolarHBondContact CA-O 3.47Å; S465-V478 WeakPolarHBondContact CB-O 3.35Å; S465-Q503 PolarHBondContact N-O 3.49Å; S465-Q503 PolarHBondContact O-N 3.47Å; S465-Q503 WeakPolarHBondContact OG-CB 3.42Å; S465-Q503 PolarHBondContact OG-O 3.43Å |
| 466 | H | 97.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 116.3 | -177.3 | -64.6 | 87 | 0 | 0 | 0 | 109.7 | W457 Y464 V478 V500 V501 | W457-H466 AromaticContact CE2-CG 3.88Å; W457-H466 HydrophobicContact CZ2-CB 3.7Å; W457-H466 AromaticContact CZ2-CG 3.95Å; W457-H466 AromaticContact NE1-CD2 3.37Å; W457-H466 PolarHBondContact NE1-CD2 2.82Å; W457-H466 AromaticContact NE1-CE1 3.67Å; W457-H466 AromaticContact NE1-CG 3.39Å; W457-H466 AromaticContact NE1-ND1 3.56Å; W457-H466 AromaticContact NE1-NE2 3.53Å; Y464-H466 PolarHBondContact O-CE1 3.28Å; Y464-H466 VanDerWaalsContact O-CE1 3.27Å; Y464-H466 PolarHBondContact O-ND1 3.04Å; H466-V478 PolarHBondContact N-O 3.49Å; H466-V478 PolarHBondContact O-N 2.9Å; H466-V500 HydrophobicContact CB-CG1 3.88Å; H466-V501 WeakPolarHBondContact CA-O 3.44Å |
| 467 | T | 97.6 | Very high | 96 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 129.5 | 175.2 | -53.1 | 0 | 0 | 0 | 0 | 109.6 | F469 E474 V500 V501 Q503 | T467-F469 HydrophobicContact CG2-CD2 4.13Å; T467-F469 HydrophobicContact CG2-CE2 3.5Å; T467-F469 VanDerWaalsContact CG2-CE2 3.5Å; T467-F469 HydrophobicContact CG2-CZ 3.93Å; T467-E474 HydrophobicContact CG2-CG 3.67Å; T467-V500 WeakPolarHBondContact O-CA 3.48Å; T467-V501 PolarHBondContact N-O 2.91Å; T467-V501 PolarHBondContact O-N 3.02Å; T467-Q503 PolarHBondContact OG1-NE2 2.94Å; T467-Q503 PolarHBondContact OG1-OE1 2.83Å |
| 468 | I | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 124.6 | -179.2 | -58 | 174.7 | 0 | 0 | 0 | 108 | L455 W457 Y475 D476 V478 Y485 F487 V498 V500 | L455-I468 HydrophobicContact CD2-CD1 4.05Å; L455-I468 HydrophobicContact CD2-CG1 4.35Å; L455-I468 HydrophobicContact CD2-CG2 4.17Å; W457-I468 HydrophobicContact CH2-CD1 4.17Å; W457-I468 HydrophobicContact CZ3-CD1 4.35Å; I468-Y475 WeakPolarHBondContact O-CA 3.18Å; I468-Y475 WeakPolarHBondContact O-CB 3.22Å; I468-Y475 PolarHBondContact O-N 3.33Å; I468-D476 PolarHBondContact N-O 3.47Å; I468-D476 PolarHBondContact O-N 3.3Å; I468-V478 HydrophobicContact CD1-CG2 3.81Å; I468-Y485 VanDerWaalsContact CD1-CB 3.48Å; I468-Y485 HydrophobicContact CD1-CD1 3.57Å; I468-Y485 HydrophobicContact CD1-CD2 3.7Å; I468-Y485 HydrophobicContact CD1-CE1 4.21Å; I468-Y485 HydrophobicContact CD1-CE2 4.34Å; I468-Y485 HydrophobicContact CD1-CG 3.27Å; I468-F487 HydrophobicContact CG2-CE1 3.97Å; I468-F487 HydrophobicContact CG2-CZ 3.76Å; I468-V498 HydrophobicContact CG2-CG1 4.18Å; I468-V500 HydrophobicContact CG1-CG2 4.49Å |
| 469 | F | 97.7 | Very high | 95.7 | Very high | 41 Ų | 41 | 42.4 Ų | 42.4 | 18% | 0.18 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 136.6 | 173.1 | -67.4 | -101.7 | 0 | 0 | 0 | 109.5 | T467 A473 E474 V498 K499 V501 | T467-F469 HydrophobicContact CG2-CD2 4.13Å; T467-F469 HydrophobicContact CG2-CE2 3.5Å; T467-F469 VanDerWaalsContact CG2-CE2 3.5Å; T467-F469 HydrophobicContact CG2-CZ 3.93Å; F469-A473 CarbonylContact C-O 3.59Å; F469-A473 WeakPolarHBondContact CA-O 3.32Å; F469-E474 HydrophobicContact CD1-CB 4.12Å; F469-E474 HydrophobicContact CE1-CB 3.79Å; F469-E474 HydrophobicContact CE1-CG 4.44Å; F469-E474 HydrophobicContact CZ-CB 4.32Å; F469-V498 CarbonylContact O-C 3.6Å; F469-V498 WeakPolarHBondContact O-CA 3.38Å; F469-K499 HydrophobicContact CB-CB 4.14Å; F469-K499 PolarHBondContact N-O 2.8Å; F469-K499 PolarHBondContact O-N 2.96Å; F469-V501 HydrophobicContact CD2-CG2 3.76Å; F469-V501 HydrophobicContact CE2-CB 4.21Å; F469-V501 HydrophobicContact CE2-CG2 3.6Å |
| 470 | L | 96.3 | Very high | 95.5 | Very high | 19 Ų | 19 | 44.3 Ų | 44.3 | 10% | 0.099 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 118 | 176.1 | -166.5 | 70.1 | 0 | 0 | 0 | 108.6 | G472 A473 Y475 F487 L490 Y496 V498 | L470-G472 PolarHBondContact O-N 2.87Å; L470-A473 PolarHBondContact N-O 3.38Å; L470-A473 PolarHBondContact O-N 3.09Å; L470-Y475 HydrophobicContact CB-CD2 3.96Å; L470-Y475 HydrophobicContact CB-CG 4.13Å; L470-Y475 HydrophobicContact CD2-CD2 3.8Å; L470-Y475 HydrophobicContact CD2-CE2 3.86Å; L470-Y475 HydrophobicContact CD2-CG 4.5Å; L470-F487 HydrophobicContact CD1-CE1 4.23Å; L470-F487 HydrophobicContact CD1-CZ 4.35Å; L470-L490 HydrophobicContact CD2-CD2 4.05Å; L470-Y496 HydrophobicContact CD1-CD1 3.77Å; L470-Y496 HydrophobicContact CD1-CG 4.13Å; L470-Y496 HydrophobicContact CD2-CD1 3.81Å; L470-Y496 HydrophobicContact CD2-CE1 3.93Å; L470-Y496 HydrophobicContact CG-CD1 3.74Å; L470-Y496 HydrophobicContact CG-CE1 4.32Å; L470-V498 HydrophobicContact CD1-CG2 3.71Å |
| 471 | N | 94.6 | Very high | 95.2 | Very high | 94 Ų | 94 | 44.4 Ų | 44.4 | 50% | 0.503 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 32.1 | -175.2 | -62.8 | -16 | 0 | 0 | 0 | 114 | A473 Y496 K497 | N471-A473 VanDerWaalsContact C-N 3.33Å; N471-A473 PolarHBondContact O-N 3.03Å; N471-Y496 WeakPolarHBondContact OD1-CA 3.3Å; N471-K497 PolarHBondContact N-O 3.21Å; N471-K497 PolarHBondContact OD1-N 2.89Å |
| 472 | G | 92.1 | Very high | 95 | Very high | 65 Ų | 65 | 44 Ų | 44 | 67% | 0.67 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.5 | -10.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | L470 | L470-G472 PolarHBondContact O-N 2.87Š|
| 473 | A | 94.8 | Very high | 95 | Very high | 62 Ų | 62 | 44.9 Ų | 44.9 | 51% | 0.512 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 141.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | F469 L470 N471 Y475 | F469-A473 CarbonylContact C-O 3.59Å; F469-A473 WeakPolarHBondContact CA-O 3.32Å; L470-A473 PolarHBondContact N-O 3.38Å; L470-A473 PolarHBondContact O-N 3.09Å; N471-A473 VanDerWaalsContact C-N 3.33Å; N471-A473 PolarHBondContact O-N 3.03Å; A473-Y475 PolarHBondContact O-N 2.97Å |
| 474 | E | 96.1 | Very high | 95 | Very high | 131 Ų | 131 | 49.4 Ų | 49.4 | 61% | 0.612 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62 | 125 | 170.1 | -174.3 | 170.8 | 163.2 | 0 | 0 | 109 | T467 F469 | T467-E474 HydrophobicContact CG2-CG 3.67Å; F469-E474 HydrophobicContact CD1-CB 4.12Å; F469-E474 HydrophobicContact CE1-CB 3.79Å; F469-E474 HydrophobicContact CE1-CG 4.44Å; F469-E474 HydrophobicContact CZ-CB 4.32Å |
| 475 | Y | 95.2 | Very high | 95.1 | Very high | 95 Ų | 95 | 50.6 Ų | 50.6 | 37% | 0.373 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | -51.6 | -174.9 | -172.1 | -94.1 | 0 | 0 | 0 | 111.4 | I468 L470 A473 Y485 F487 | I468-Y475 WeakPolarHBondContact O-CA 3.18Å; I468-Y475 WeakPolarHBondContact O-CB 3.22Å; I468-Y475 PolarHBondContact O-N 3.33Å; L470-Y475 HydrophobicContact CB-CD2 3.96Å; L470-Y475 HydrophobicContact CB-CG 4.13Å; L470-Y475 HydrophobicContact CD2-CD2 3.8Å; L470-Y475 HydrophobicContact CD2-CE2 3.86Å; L470-Y475 HydrophobicContact CD2-CG 4.5Å; A473-Y475 PolarHBondContact O-N 2.97Å; Y475-Y485 HydrophobicContact CD1-CE1 4.03Å; Y475-Y485 AromaticContact CE1-CE1 3.81Å; Y475-Y485 HydrophobicContact CE1-CE1 3.81Å; Y475-Y485 WeakPolarHBondContact CE1-OH 3.42Å; Y475-F487 HydrophobicContact CD1-CD1 4.06Å; Y475-F487 AromaticContact CD1-CE1 3.82Å; Y475-F487 HydrophobicContact CD1-CE1 3.82Å; Y475-F487 AromaticContact CE1-CD1 3.64Å; Y475-F487 HydrophobicContact CE1-CD1 3.64Å; Y475-F487 AromaticContact CE1-CE1 3.91Å; Y475-F487 HydrophobicContact CE1-CE1 3.91Å; Y475-F487 HydrophobicContact CG-CE1 4.39Å |
| 476 | D | 96.4 | Very high | 95 | Very high | 69 Ų | 69 | 55 Ų | 55 | 37% | 0.369 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 170.8 | 178.3 | -158.5 | 3.4 | 0 | 0 | 0 | 111.9 | I468 Y485 | I468-D476 PolarHBondContact N-O 3.47Å; I468-D476 PolarHBondContact O-N 3.3Å; D476-Y485 HydrophobicContact CB-CE2 4.07Å; D476-Y485 WeakPolarHBondContact CB-OH 3.46Å; D476-Y485 WeakPolarHBondContact OD2-CE2 3.35Å; D476-Y485 PolarHBondContact OD2-OH 3.35Å |
| 477 | M | 95.3 | Very high | 94.9 | Very high | 98 Ų | 98 | 55 Ų | 55 | 48% | 0.483 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 124.1 | 176.3 | -179.6 | 174.3 | 57.8 | 0 | 0 | 111.7 | ||
| 478 | V | 95.6 | Very high | 94.5 | Very high | 11 Ų | 11 | 60.4 Ų | 60.4 | 7% | 0.067 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 127.3 | 174.5 | 177.9 | 0 | 0 | 0 | 0 | 110 | W457 S465 H466 I468 Y485 | W457-V478 HydrophobicContact CH2-CB 4.13Å; W457-V478 HydrophobicContact CH2-CG1 4.25Å; W457-V478 HydrophobicContact CH2-CG2 3.9Å; W457-V478 HydrophobicContact CZ2-CB 4.17Å; W457-V478 HydrophobicContact CZ2-CG1 4.16Å; W457-V478 HydrophobicContact CZ2-CG2 4.44Å; S465-V478 CarbonylContact C-O 3.49Å; S465-V478 WeakPolarHBondContact CA-O 3.47Å; S465-V478 WeakPolarHBondContact CB-O 3.35Å; H466-V478 PolarHBondContact N-O 3.49Å; H466-V478 PolarHBondContact O-N 2.9Å; I468-V478 HydrophobicContact CD1-CG2 3.81Å; V478-Y485 HydrophobicContact CG2-CD2 3.75Å; V478-Y485 HydrophobicContact CG2-CG 4.42Å |
| 479 | K | 93.6 | Very high | 94 | Very high | 94 Ų | 94 | 66.2 Ų | 66.2 | 41% | 0.409 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 162.8 | 179.7 | -69 | -175.5 | 177.7 | -179.4 | 0 | 111.8 | D332 G481 G482 | D332-K479 PolarHBondContact O-NZ 2.66Å; K479-G481 PolarHBondContact O-N 3.48Å; K479-G482 PolarHBondContact O-N 3.19Å |
| 480 | A | 92.3 | Very high | 93.6 | Very high | 44 Ų | 44 | 64.9 Ų | 64.9 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 137.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S462 G482 | S462-A480 CarbonylContact O-C 3.57Å; A480-G482 VanDerWaalsContact C-N 3.3Å |
| 481 | G | 88.7 | Confident | 93.2 | Very high | 6 Ų | 6 | 71.2 Ų | 71.2 | 6% | 0.062 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | -14.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S462 K479 | S462-G481 PolarHBondContact O-N 2.87Å; K479-G481 PolarHBondContact O-N 3.48Å |
| 482 | G | 91.9 | Very high | 92.9 | Very high | 14 Ų | 14 | 68.7 Ų | 68.7 | 14% | 0.144 | 36% | 0.356 | C | S | . | . | trans | -86.2 | 138.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K479 A480 | K479-G482 PolarHBondContact O-N 3.19Å; A480-G482 VanDerWaalsContact C-N 3.3Å | ||
| 483 | Y | 95.3 | Very high | 92.7 | Very high | 22 Ų | 22 | 71.8 Ų | 71.8 | 9% | 0.086 | 36% | 0.355 | C | S | . | . | trans | -144.4 | 9.1 | -178.1 | 67.6 | -89.5 | 0 | 0 | 0 | 114.2 | D424 L426 R427 S456 W457 | D424-Y483 VanDerWaalsContact CG-OH 3.31Å; D424-Y483 PolarHBondContact OD1-OH 2.69Å; D424-Y483 VanDerWaalsContact OD2-CE1 3.26Å; D424-Y483 WeakPolarHBondContact OD2-CE1 3.31Å; D424-Y483 VanDerWaalsContact OD2-CZ 3.3Å; D424-Y483 PolarHBondContact OD2-OH 3.37Å; L426-Y483 HydrophobicContact CB-CD1 3.86Å; L426-Y483 HydrophobicContact CB-CE1 3.66Å; L426-Y483 HydrophobicContact CB-CE2 4.4Å; L426-Y483 HydrophobicContact CB-CG 4.3Å; L426-Y483 HydrophobicContact CD1-CD2 3.79Å; L426-Y483 HydrophobicContact CD1-CE1 4.34Å; L426-Y483 HydrophobicContact CD1-CE2 3.54Å; L426-Y483 HydrophobicContact CD1-CG 4.29Å; R427-Y483 HydrophobicContact CG-CE1 4.31Å; S456-Y483 WeakPolarHBondContact CA-O 3.44Å; W457-Y483 VanDerWaalsContact CE2-CA 3.49Å; W457-Y483 VanDerWaalsContact CE3-O 3.31Å; W457-Y483 PolarHBondContact N-O 2.96Å | ||
| 484 | R | 95.1 | Very high | 92.5 | Very high | 137 Ų | 137 | 70.8 Ų | 70.8 | 52% | 0.517 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 149.9 | 174.7 | -53.3 | -175.5 | -150.2 | 174.8 | 4.5 | 108.9 | L455 | L455-R484 CarbonylContact O-C 3.55Å; L455-R484 VanDerWaalsContact O-CA 3.22Å; L455-R484 WeakPolarHBondContact O-CA 3.35Å |
| 485 | Y | 96.2 | Very high | 92.6 | Very high | 46 Ų | 46 | 68.8 Ų | 68.8 | 18% | 0.18 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 146.2 | 178.8 | -173.4 | -99.7 | 0 | 0 | 0 | 110.3 | E454 L455 I468 Y475 D476 V478 F487 | E454-Y485 CarbonylContact C-O 3.54Å; L455-Y485 PolarHBondContact N-O 2.99Å; L455-Y485 PolarHBondContact O-N 3.42Å; I468-Y485 VanDerWaalsContact CD1-CB 3.48Å; I468-Y485 HydrophobicContact CD1-CD1 3.57Å; I468-Y485 HydrophobicContact CD1-CD2 3.7Å; I468-Y485 HydrophobicContact CD1-CE1 4.21Å; I468-Y485 HydrophobicContact CD1-CE2 4.34Å; I468-Y485 HydrophobicContact CD1-CG 3.27Å; Y475-Y485 HydrophobicContact CD1-CE1 4.03Å; Y475-Y485 AromaticContact CE1-CE1 3.81Å; Y475-Y485 HydrophobicContact CE1-CE1 3.81Å; Y475-Y485 WeakPolarHBondContact CE1-OH 3.42Å; D476-Y485 HydrophobicContact CB-CE2 4.07Å; D476-Y485 WeakPolarHBondContact CB-OH 3.46Å; D476-Y485 WeakPolarHBondContact OD2-CE2 3.35Å; D476-Y485 PolarHBondContact OD2-OH 3.35Å; V478-Y485 HydrophobicContact CG2-CD2 3.75Å; V478-Y485 HydrophobicContact CG2-CG 4.42Å; Y485-F487 HydrophobicContact CD1-CD1 4.08Å; Y485-F487 AromaticContact CD1-CE1 3.94Å; Y485-F487 HydrophobicContact CD1-CE1 3.94Å; Y485-F487 HydrophobicContact CD1-CE2 4.43Å; Y485-F487 HydrophobicContact CD1-CG 4.37Å; Y485-F487 HydrophobicContact CD1-CZ 4.13Å; Y485-F487 AromaticContact CE1-CD1 3.72Å; Y485-F487 HydrophobicContact CE1-CD1 3.72Å; Y485-F487 AromaticContact CE1-CE1 3.78Å; Y485-F487 HydrophobicContact CE1-CE1 3.78Å; Y485-F487 HydrophobicContact CE1-CG 4.3Å; Y485-F487 HydrophobicContact CE1-CZ 4.43Å |
| 486 | K | 95.4 | Very high | 92.6 | Very high | 105 Ų | 105 | 65.2 Ų | 65.2 | 46% | 0.457 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 118.7 | 178.7 | -171.1 | 167.3 | 177 | 177.4 | 0 | 110.4 | F488 | K486-F488 HydrophobicContact CB-CE2 3.94Å; K486-F488 HydrophobicContact CB-CZ 4.05Å; K486-F488 HydrophobicContact CD-CE1 3.85Å; K486-F488 HydrophobicContact CD-CE2 4.26Å; K486-F488 HydrophobicContact CD-CZ 3.52Å; K486-F488 HydrophobicContact CG-CE1 4.03Å; K486-F488 HydrophobicContact CG-CE2 3.88Å; K486-F488 HydrophobicContact CG-CZ 3.62Å; K486-F488 VanDerWaalsContact O-CD2 3.29Å; K486-F488 WeakPolarHBondContact O-CD2 3.44Å; K486-F488 WeakPolarHBondContact O-CE2 3.23Å |
| 487 | F | 95 | Very high | 92.7 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 140.3 | 171.7 | -61.9 | -74.2 | 0 | 0 | 0 | 110.4 | S452 A453 L455 I468 L470 Y475 Y485 L490 V498 | S452-F487 WeakPolarHBondContact CA-O 3.47Å; S452-F487 WeakPolarHBondContact CB-O 3.48Å; A453-F487 HydrophobicContact CB-CD2 4.16Å; A453-F487 PolarHBondContact N-O 2.98Å; A453-F487 PolarHBondContact O-N 3.13Å; L455-F487 HydrophobicContact CB-CE2 3.86Å; L455-F487 HydrophobicContact CD2-CE2 4.1Å; L455-F487 HydrophobicContact CD2-CZ 4.06Å; L455-F487 HydrophobicContact CG-CE2 4.4Å; I468-F487 HydrophobicContact CG2-CE1 3.97Å; I468-F487 HydrophobicContact CG2-CZ 3.76Å; L470-F487 HydrophobicContact CD1-CE1 4.23Å; L470-F487 HydrophobicContact CD1-CZ 4.35Å; Y475-F487 HydrophobicContact CD1-CD1 4.06Å; Y475-F487 AromaticContact CD1-CE1 3.82Å; Y475-F487 HydrophobicContact CD1-CE1 3.82Å; Y475-F487 AromaticContact CE1-CD1 3.64Å; Y475-F487 HydrophobicContact CE1-CD1 3.64Å; Y475-F487 AromaticContact CE1-CE1 3.91Å; Y475-F487 HydrophobicContact CE1-CE1 3.91Å; Y475-F487 HydrophobicContact CG-CE1 4.39Å; Y485-F487 HydrophobicContact CD1-CD1 4.08Å; Y485-F487 AromaticContact CD1-CE1 3.94Å; Y485-F487 HydrophobicContact CD1-CE1 3.94Å; Y485-F487 HydrophobicContact CD1-CE2 4.43Å; Y485-F487 HydrophobicContact CD1-CG 4.37Å; Y485-F487 HydrophobicContact CD1-CZ 4.13Å; Y485-F487 AromaticContact CE1-CD1 3.72Å; Y485-F487 HydrophobicContact CE1-CD1 3.72Å; Y485-F487 AromaticContact CE1-CE1 3.78Å; Y485-F487 HydrophobicContact CE1-CE1 3.78Å; Y485-F487 HydrophobicContact CE1-CG 4.3Å; Y485-F487 HydrophobicContact CE1-CZ 4.43Å; F487-L490 HydrophobicContact CB-CD1 3.79Å; F487-L490 HydrophobicContact CB-CD2 4.08Å; F487-L490 HydrophobicContact CB-CG 3.99Å; F487-L490 HydrophobicContact CG-CD1 4.48Å; F487-V498 HydrophobicContact CE2-CG1 4.45Å; F487-V498 HydrophobicContact CE2-CG2 3.99Å; F487-V498 HydrophobicContact CZ-CG1 4.03Å; F487-V498 HydrophobicContact CZ-CG2 3.93Å |
| 488 | F | 89.4 | Confident | 92.8 | Very high | 115 Ų | 115 | 61.8 Ų | 61.8 | 50% | 0.504 | 30% | 0.304 | S | S | . | . | trans | -128.8 | 160.6 | 173.1 | -59.6 | -84.6 | 0 | 0 | 0 | 109.8 | S451 K486 L490 | S451-F488 CarbonylContact O-C 3.56Å; K486-F488 HydrophobicContact CB-CE2 3.94Å; K486-F488 HydrophobicContact CB-CZ 4.05Å; K486-F488 HydrophobicContact CD-CE1 3.85Å; K486-F488 HydrophobicContact CD-CE2 4.26Å; K486-F488 HydrophobicContact CD-CZ 3.52Å; K486-F488 HydrophobicContact CG-CE1 4.03Å; K486-F488 HydrophobicContact CG-CE2 3.88Å; K486-F488 HydrophobicContact CG-CZ 3.62Å; K486-F488 VanDerWaalsContact O-CD2 3.29Å; K486-F488 WeakPolarHBondContact O-CD2 3.44Å; K486-F488 WeakPolarHBondContact O-CE2 3.23Å; F488-L490 PolarHBondContact O-N 3.36Å | ||
| 489 | N | 86.6 | Confident | 92.9 | Very high | 122 Ų | 122 | 64 Ų | 64 | 65% | 0.652 | 31% | 0.313 | S | S | * | . | S | Bend | trans | 56.4 | 33 | 176.6 | -55.2 | -41.8 | 0 | 0 | 0 | 114.3 | S451 | S451-N489 PolarHBondContact O-N 2.87Š|
| 490 | L | 89.9 | Confident | 93.1 | Very high | 14 Ų | 14 | 59.6 Ų | 59.6 | 7% | 0.073 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 153.6 | 169.9 | -58.8 | 178.4 | 0 | 0 | 0 | 110.4 | S451 A453 L470 F487 F488 Y496 F525 T527 | S451-L490 WeakPolarHBondContact CA-O 3.49Å; S451-L490 PolarHBondContact O-N 3.21Å; A453-L490 HydrophobicContact CB-CD1 4.08Å; L470-L490 HydrophobicContact CD2-CD2 4.05Å; F487-L490 HydrophobicContact CB-CD1 3.79Å; F487-L490 HydrophobicContact CB-CD2 4.08Å; F487-L490 HydrophobicContact CB-CG 3.99Å; F487-L490 HydrophobicContact CG-CD1 4.48Å; F488-L490 PolarHBondContact O-N 3.36Å; L490-Y496 HydrophobicContact CB-CE2 3.95Å; L490-Y496 HydrophobicContact CD1-CE2 4.46Å; L490-Y496 HydrophobicContact CD2-CE1 4.22Å; L490-Y496 HydrophobicContact CD2-CE2 4.16Å; L490-Y496 HydrophobicContact CG-CE2 4.43Å; L490-F525 HydrophobicContact CD1-CE2 3.87Å; L490-F525 HydrophobicContact CD1-CZ 3.68Å; L490-T527 HydrophobicContact CB-CG2 3.85Å; L490-T527 HydrophobicContact CD1-CG2 3.87Å |
| 491 | K | 87.6 | Confident | 93.4 | Very high | 151 Ų | 151 | 58.6 Ų | 58.6 | 66% | 0.657 | 28% | 0.283 | S | S | * | . | P | Polyproline II helix | trans | -78.8 | 137.1 | 173 | -64.7 | -178.2 | 179.6 | 179.5 | 0 | 109 | T494 Y496 T527 | K491-T494 WeakPolarHBondContact CB-OG1 3.23Å; K491-T494 WeakPolarHBondContact O-CB 3.16Å; K491-T494 PolarHBondContact O-OG1 3.27Å; K491-Y496 WeakPolarHBondContact CB-OH 3.42Å; K491-Y496 PolarHBondContact N-OH 3.35Å; K491-T527 PolarHBondContact O-OG1 2.92Å |
| 492 | S | 87.8 | Confident | 93.8 | Very high | 41 Ų | 41 | 58.3 Ų | 58.3 | 29% | 0.287 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 154.3 | 175.7 | 58.2 | 0 | 0 | 0 | 0 | 111.9 | Q450 T494 | Q450-S492 VanDerWaalsContact O-CA 3.23Å; Q450-S492 WeakPolarHBondContact O-CA 3.44Å; Q450-S492 PolarHBondContact O-N 2.95Å; S492-T494 PolarHBondContact O-N 3.43Å; S492-T494 PolarHBondContact O-OG1 3.18Å; S492-T494 VanDerWaalsContact O-OG1 3.05Å |
| 493 | M | 88.4 | Confident | 93.9 | Very high | 131 Ų | 131 | 61.4 Ų | 61.4 | 65% | 0.645 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 30.1 | 177.3 | -157.7 | 68.2 | 149.6 | 0 | 0 | 113.9 | T527 Q528 P529 | M493-T527 PolarHBondContact N-OG1 3.04Å; M493-Q528 PolarHBondContact N-O 3.11Å; M493-P529 HydrophobicContact CE-CG 4.36Å; M493-P529 HydrophobicContact SD-CB 4.26Å; M493-P529 HydrophobicContact SD-CG 3.8Å |
| 494 | T | 91.9 | Very high | 93.8 | Very high | 40 Ų | 40 | 61.4 Ų | 61.4 | 25% | 0.245 | 29% | 0.293 | C | S | . | . | trans | -113.2 | 134.9 | -177.9 | -58.5 | 0 | 0 | 0 | 0 | 110.1 | K491 S492 Y496 C526 T527 | K491-T494 WeakPolarHBondContact CB-OG1 3.23Å; K491-T494 WeakPolarHBondContact O-CB 3.16Å; K491-T494 PolarHBondContact O-OG1 3.27Å; S492-T494 PolarHBondContact O-N 3.43Å; S492-T494 PolarHBondContact O-OG1 3.18Å; S492-T494 VanDerWaalsContact O-OG1 3.05Å; T494-Y496 HydrophobicContact CG2-CD2 4.21Å; T494-Y496 HydrophobicContact CG2-CE1 4.26Å; T494-Y496 HydrophobicContact CG2-CE2 3.7Å; T494-Y496 WeakPolarHBondContact O-CD2 3.45Å; T494-C526 WeakPolarHBondContact O-CA 3.44Å; T494-T527 PolarHBondContact N-OG1 3.11Å; T494-T527 PolarHBondContact O-N 3.24Å; T494-T527 PolarHBondContact O-OG1 2.88Å | ||
| 495 | V | 96.4 | Very high | 93.3 | Very high | 90 Ų | 90 | 61.2 Ų | 61.2 | 55% | 0.545 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 129.2 | 171.7 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | F525 C526 | V495-F525 WeakPolarHBondContact CA-O 3.35Å; V495-C526 HydrophobicContact CG2-CB 4.16Å |
| 496 | Y | 96.6 | Very high | 92.7 | Very high | 19 Ų | 19 | 66.8 Ų | 66.8 | 8% | 0.075 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 132.2 | 178.6 | -73.6 | -77.7 | 0 | 0 | 0 | 110.2 | L470 N471 L490 K491 T494 E524 F525 T527 | L470-Y496 HydrophobicContact CD1-CD1 3.77Å; L470-Y496 HydrophobicContact CD1-CG 4.13Å; L470-Y496 HydrophobicContact CD2-CD1 3.81Å; L470-Y496 HydrophobicContact CD2-CE1 3.93Å; L470-Y496 HydrophobicContact CG-CD1 3.74Å; L470-Y496 HydrophobicContact CG-CE1 4.32Å; N471-Y496 WeakPolarHBondContact OD1-CA 3.3Å; L490-Y496 HydrophobicContact CB-CE2 3.95Å; L490-Y496 HydrophobicContact CD1-CE2 4.46Å; L490-Y496 HydrophobicContact CD2-CE1 4.22Å; L490-Y496 HydrophobicContact CD2-CE2 4.16Å; L490-Y496 HydrophobicContact CG-CE2 4.43Å; K491-Y496 WeakPolarHBondContact CB-OH 3.42Å; K491-Y496 PolarHBondContact N-OH 3.35Å; T494-Y496 HydrophobicContact CG2-CD2 4.21Å; T494-Y496 HydrophobicContact CG2-CE1 4.26Å; T494-Y496 HydrophobicContact CG2-CE2 3.7Å; T494-Y496 WeakPolarHBondContact O-CD2 3.45Å; Y496-E524 CarbonylContact O-C 3.44Å; Y496-E524 WeakPolarHBondContact O-CA 3.41Å; Y496-F525 VanDerWaalsContact CB-CE1 3.47Å; Y496-F525 HydrophobicContact CD2-CE2 4.25Å; Y496-F525 HydrophobicContact CD2-CZ 4.06Å; Y496-F525 HydrophobicContact CG-CE1 4.33Å; Y496-F525 HydrophobicContact CG-CZ 4.13Å; Y496-F525 PolarHBondContact N-O 3.28Å; Y496-F525 PolarHBondContact O-N 3.45Å; Y496-T527 HydrophobicContact CD2-CG2 3.91Å; Y496-T527 HydrophobicContact CE2-CG2 3.73Å |
| 497 | K | 97.3 | Very high | 92 | Very high | 96 Ų | 96 | 65.1 Ų | 65.1 | 42% | 0.417 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 113.2 | 169.5 | -175.5 | 170.7 | -170.9 | 153.8 | 0 | 109.4 | N471 E524 | N471-K497 PolarHBondContact N-O 3.21Å; N471-K497 PolarHBondContact OD1-N 2.89Å; K497-E524 HydrophobicContact CB-CG 3.91Å; K497-E524 HydrophobicContact CD-CG 4.33Å; K497-E524 WeakPolarHBondContact CD-OE1 3.46Å; K497-E524 HydrophobicContact CG-CG 3.84Å; K497-E524 IonicContact NZ-OE1 3.32Å |
| 498 | V | 97.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 134.6 | 176.2 | -176.9 | 0 | 0 | 0 | 0 | 109 | L455 I468 F469 L470 F487 V500 S522 V523 F525 | L455-V498 HydrophobicContact CD1-CB 4.5Å; L455-V498 HydrophobicContact CD1-CG1 3.83Å; L455-V498 HydrophobicContact CD2-CG1 3.69Å; L455-V498 HydrophobicContact CG-CG1 4.42Å; I468-V498 HydrophobicContact CG2-CG1 4.18Å; F469-V498 CarbonylContact O-C 3.6Å; F469-V498 WeakPolarHBondContact O-CA 3.38Å; L470-V498 HydrophobicContact CD1-CG2 3.71Å; F487-V498 HydrophobicContact CE2-CG1 4.45Å; F487-V498 HydrophobicContact CE2-CG2 3.99Å; F487-V498 HydrophobicContact CZ-CG1 4.03Å; F487-V498 HydrophobicContact CZ-CG2 3.93Å; V498-V500 HydrophobicContact CG1-CG2 4.4Å; V498-S522 CarbonylContact O-C 3.55Å; V498-S522 WeakPolarHBondContact O-CA 3.47Å; V498-S522 VanDerWaalsContact O-CB 3.26Å; V498-S522 WeakPolarHBondContact O-CB 3.44Å; V498-V523 HydrophobicContact CB-CG1 4.33Å; V498-V523 PolarHBondContact N-O 2.94Å; V498-V523 PolarHBondContact O-N 2.89Å; V498-F525 HydrophobicContact CG2-CD1 3.77Å; V498-F525 HydrophobicContact CG2-CE1 3.38Å |
| 499 | K | 97.8 | Very high | 91 | Very high | 58 Ų | 58 | 69.2 Ų | 69.2 | 25% | 0.252 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 129.6 | 173 | -179.7 | 178.3 | 83.2 | 152.9 | 0 | 109.4 | F469 V501 E520 I521 | F469-K499 HydrophobicContact CB-CB 4.14Å; F469-K499 PolarHBondContact N-O 2.8Å; F469-K499 PolarHBondContact O-N 2.96Å; K499-V501 HydrophobicContact CD-CG2 4.49Å; K499-V501 HydrophobicContact CG-CG2 4.24Å; K499-E520 HydrophobicContact CD-CB 4.39Å; K499-E520 VanDerWaalsContact CD-OE2 3.31Å; K499-E520 WeakPolarHBondContact CD-OE2 3.42Å; K499-E520 WeakPolarHBondContact CE-OE2 3.44Å; K499-E520 HydrophobicContact CG-CB 4.25Å; K499-E520 IonicContact NZ-OE1 2.94Å; K499-E520 IonicContact NZ-OE2 3.36Å; K499-E520 PolarHBondContact NZ-OE2 3.08Å; K499-I521 CarbonylContact C-O 3.53Å; K499-I521 WeakPolarHBondContact CA-O 3.14Å |
| 500 | V | 98.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 124.4 | 177.4 | -177.7 | 0 | 0 | 0 | 0 | 108.2 | P440 L443 L455 W457 H466 T467 I468 V498 E520 I521 | P440-V500 HydrophobicContact CG-CB 4.4Å; P440-V500 HydrophobicContact CG-CG1 3.99Å; L443-V500 HydrophobicContact CD1-CB 4.3Å; L443-V500 HydrophobicContact CD1-CG2 3.56Å; L443-V500 HydrophobicContact CD2-CG2 4.21Å; L455-V500 HydrophobicContact CD2-CG2 3.78Å; W457-V500 HydrophobicContact CD2-CG1 4.23Å; W457-V500 HydrophobicContact CE3-CG2 4.41Å; H466-V500 HydrophobicContact CB-CG1 3.88Å; T467-V500 WeakPolarHBondContact O-CA 3.48Å; I468-V500 HydrophobicContact CG1-CG2 4.49Å; V498-V500 HydrophobicContact CG1-CG2 4.4Å; V500-E520 VanDerWaalsContact O-CA 3.31Å; V500-E520 WeakPolarHBondContact O-CA 3.49Å; V500-I521 HydrophobicContact CB-CG2 4.32Å; V500-I521 PolarHBondContact N-O 2.77Å; V500-I521 PolarHBondContact O-N 2.82Å |
| 501 | V | 97.8 | Very high | 90.4 | Very high | 23 Ų | 23 | 70.4 Ų | 70.4 | 14% | 0.139 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 119.2 | -178.6 | -172.5 | 0 | 0 | 0 | 0 | 108.8 | H466 T467 F469 K499 R519 E520 | H466-V501 WeakPolarHBondContact CA-O 3.44Å; T467-V501 PolarHBondContact N-O 2.91Å; T467-V501 PolarHBondContact O-N 3.02Å; F469-V501 HydrophobicContact CD2-CG2 3.76Å; F469-V501 HydrophobicContact CE2-CB 4.21Å; F469-V501 HydrophobicContact CE2-CG2 3.6Å; K499-V501 HydrophobicContact CD-CG2 4.49Å; K499-V501 HydrophobicContact CG-CG2 4.24Å; V501-R519 WeakPolarHBondContact CA-O 3.36Å; V501-R519 HydrophobicContact CG1-CB 4.18Å; V501-E520 HydrophobicContact CB-CB 4.5Å; V501-E520 HydrophobicContact CG2-CB 3.91Å |
| 502 | A | 97.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 132.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | V438 Y464 P504 R519 | V438-A502 HydrophobicContact CG1-CB 3.97Å; V438-A502 WeakPolarHBondContact O-CB 3.34Å; Y464-A502 HydrophobicContact CD2-CB 4.11Å; A502-P504 WeakPolarHBondContact O-CD 3.37Å; A502-R519 PolarHBondContact N-O 3.18Å |
| 503 | Q | 95.1 | Very high | 90.1 | Very high | 79 Ų | 79 | 66.4 Ų | 66.4 | 37% | 0.369 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 96.6 | 178.6 | -67.2 | -168.9 | -10.3 | 0 | 0 | 110 | S465 T467 | S465-Q503 PolarHBondContact N-O 3.49Å; S465-Q503 PolarHBondContact O-N 3.47Å; S465-Q503 WeakPolarHBondContact OG-CB 3.42Å; S465-Q503 PolarHBondContact OG-O 3.43Å; T467-Q503 PolarHBondContact OG1-NE2 2.94Å; T467-Q503 PolarHBondContact OG1-OE1 2.83Å |
| 504 | P | 92.4 | Very high | 90 | Very high | 21 Ų | 21 | 66 Ų | 66 | 14% | 0.136 | 34% | 0.336 | C | S | . | . | trans | -65.9 | 130.2 | 169.9 | -21.3 | 33.5 | 0 | 0 | 0 | 111.7 | V438 Y464 A502 Q506 P508 | V438-P504 HydrophobicContact CG1-CG 3.55Å; Y464-P504 VanDerWaalsContact CD1-CA 3.5Å; Y464-P504 HydrophobicContact CD1-CB 3.71Å; Y464-P504 HydrophobicContact CD1-CG 3.94Å; Y464-P504 HydrophobicContact CD2-CG 4.19Å; Y464-P504 HydrophobicContact CE1-CB 3.56Å; Y464-P504 HydrophobicContact CE1-CG 3.81Å; Y464-P504 HydrophobicContact CE2-CG 4.06Å; Y464-P504 HydrophobicContact CG-CB 4.37Å; Y464-P504 HydrophobicContact CG-CG 4.13Å; A502-P504 WeakPolarHBondContact O-CD 3.37Å; P504-Q506 WeakPolarHBondContact CB-O 3.36Å; P504-Q506 PolarHBondContact O-N 2.88Å; P504-P508 HydrophobicContact CB-CG 3.97Å; P504-P508 HydrophobicContact CG-CG 3.97Å | ||
| 505 | H | 85 | Confident | 89.8 | Confident | 133 Ų | 133 | 66 Ų | 66 | 62% | 0.616 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -63 | -28.2 | 171 | -63 | 87.5 | 0 | 0 | 0 | 112.7 | N463 | N463-H505 PolarHBondContact O-CE1 2.85Å; N463-H505 VanDerWaalsContact O-CE1 3.25Å; N463-H505 PolarHBondContact O-ND1 2.88Å |
| 506 | Q | 83.3 | Confident | 89.5 | Confident | 163 Ų | 163 | 63.8 Ų | 63.8 | 76% | 0.762 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -131.2 | 149.4 | 176.3 | -67.5 | -176.9 | -6.8 | 0 | 0 | 109.7 | P504 P508 | P504-Q506 WeakPolarHBondContact CB-O 3.36Å; P504-Q506 PolarHBondContact O-N 2.88Å; Q506-P508 VanDerWaalsContact O-CD 3.23Å; Q506-P508 WeakPolarHBondContact O-CD 3.22Å |
| 507 | V | 80.9 | Confident | 89.1 | Confident | 70 Ų | 70 | 70.3 Ų | 70.3 | 42% | 0.424 | 35% | 0.346 | S | S | . | . | trans | -63.8 | 122.7 | 177.1 | -179 | 0 | 0 | 0 | 0 | 109.5 | W509 | V507-W509 VanDerWaalsContact C-N 3.27Å; V507-W509 HydrophobicContact CB-CD2 4.41Å; V507-W509 HydrophobicContact CB-CZ2 3.94Å; V507-W509 HydrophobicContact CG1-CD2 3.9Å; V507-W509 HydrophobicContact CG1-CE3 4.35Å; V507-W509 HydrophobicContact CG1-CG 4.38Å; V507-W509 HydrophobicContact CG1-CH2 4.11Å; V507-W509 HydrophobicContact CG1-CZ2 3.7Å; V507-W509 HydrophobicContact CG1-CZ3 4.43Å; V507-W509 HydrophobicContact CG2-CZ2 4.3Å; V507-W509 VanDerWaalsContact O-CD1 3.24Å; V507-W509 PolarHBondContact O-N 2.84Å | ||
| 508 | P | 83.8 | Confident | 88.9 | Confident | 9 Ų | 9 | 71.8 Ų | 71.8 | 6% | 0.058 | 35% | 0.352 | C | S | . | . | trans | -75.4 | 74.7 | -180 | -17.2 | 33.1 | 0 | 0 | 0 | 111.8 | V438 Y464 P504 Q506 Q510 L511 R516 | V438-P508 HydrophobicContact CG2-CG 4.1Å; Y464-P508 HydrophobicContact CE1-CG 4.44Å; Y464-P508 VanDerWaalsContact OH-CG 3.26Å; Y464-P508 WeakPolarHBondContact OH-CG 3.26Å; P504-P508 HydrophobicContact CB-CG 3.97Å; P504-P508 HydrophobicContact CG-CG 3.97Å; Q506-P508 VanDerWaalsContact O-CD 3.23Å; Q506-P508 WeakPolarHBondContact O-CD 3.22Å; P508-Q510 PolarHBondContact O-N 3.03Å; P508-L511 HydrophobicContact CB-CD1 4.21Å; P508-L511 HydrophobicContact CB-CG 4.45Å; P508-L511 PolarHBondContact O-N 2.87Å; P508-R516 PolarHBondContact O-NE 3.31Å | ||
| 509 | W | 80.1 | Confident | 88.8 | Confident | 193 Ų | 193 | 75.8 Ų | 75.8 | 73% | 0.731 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -14.8 | -176.5 | -65.3 | 108.3 | 0 | 0 | 0 | 114.5 | V507 L511 R516 | V507-W509 VanDerWaalsContact C-N 3.27Å; V507-W509 HydrophobicContact CB-CD2 4.41Å; V507-W509 HydrophobicContact CB-CZ2 3.94Å; V507-W509 HydrophobicContact CG1-CD2 3.9Å; V507-W509 HydrophobicContact CG1-CE3 4.35Å; V507-W509 HydrophobicContact CG1-CG 4.38Å; V507-W509 HydrophobicContact CG1-CH2 4.11Å; V507-W509 HydrophobicContact CG1-CZ2 3.7Å; V507-W509 HydrophobicContact CG1-CZ3 4.43Å; V507-W509 HydrophobicContact CG2-CZ2 4.3Å; V507-W509 VanDerWaalsContact O-CD1 3.24Å; V507-W509 PolarHBondContact O-N 2.84Å; W509-L511 VanDerWaalsContact C-N 3.3Å; W509-L511 PolarHBondContact O-N 2.77Å; W509-R516 VanDerWaalsContact C-NH2 3.28Å; W509-R516 VanDerWaalsContact CA-NH2 3.27Å; W509-R516 PolarHBondContact O-NH2 3.32Å |
| 510 | Q | 78.7 | Confident | 88.8 | Confident | 133 Ų | 133 | 78.2 Ų | 78.2 | 62% | 0.621 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -23.4 | 177 | -62.3 | 148.2 | -13.9 | 0 | 0 | 113.2 | L351 P508 | L351-Q510 PolarHBondContact O-NE2 2.82Å; P508-Q510 PolarHBondContact O-N 3.03Å |
| 511 | L | 83.6 | Confident | 88.7 | Confident | 27 Ų | 27 | 80.3 Ų | 80.3 | 14% | 0.141 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -93.3 | 150.2 | 179.8 | -61.5 | 178.1 | 0 | 0 | 0 | 110.9 | V436 V438 P508 W509 Q515 R516 | V436-L511 HydrophobicContact CB-CD2 4Å; V436-L511 HydrophobicContact CG1-CD2 3.92Å; V438-L511 HydrophobicContact CG2-CD1 3.9Å; P508-L511 HydrophobicContact CB-CD1 4.21Å; P508-L511 HydrophobicContact CB-CG 4.45Å; P508-L511 PolarHBondContact O-N 2.87Å; W509-L511 VanDerWaalsContact C-N 3.3Å; W509-L511 PolarHBondContact O-N 2.77Å; L511-Q515 HydrophobicContact CB-CB 4.33Å; L511-R516 HydrophobicContact CB-CG 3.81Å; L511-R516 PolarHBondContact O-NE 3.43Å; L511-R516 PolarHBondContact O-NH2 3.37Å |
| 512 | P | 85.9 | Confident | 88.7 | Confident | 70 Ų | 70 | 82.1 Ų | 82.1 | 46% | 0.455 | 40% | 0.404 | S | S | . | . | trans | -60.7 | 156.2 | 166 | -21.5 | 33.3 | 0 | 0 | 0 | 113 | D514 Q515 R516 | P512-D514 PolarHBondContact O-N 2.79Å; P512-Q515 HydrophobicContact CG-CG 4.48Å; P512-Q515 PolarHBondContact O-N 3.46Å; P512-Q515 VanDerWaalsContact O-N 3.09Å; P512-R516 WeakPolarHBondContact O-CG 3.36Å; P512-R516 PolarHBondContact O-N 3.12Å; P512-R516 VanDerWaalsContact O-N 3.12Å | ||
| 513 | G | 82.9 | Confident | 88.7 | Confident | 39 Ų | 39 | 84.1 Ų | 84.1 | 40% | 0.402 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -50.3 | -54.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q515 R516 E517 | G513-Q515 PolarHBondContact O-N 3.44Å; G513-Q515 VanDerWaalsContact O-N 3.14Å; G513-R516 WeakPolarHBondContact O-CA 3.43Å; G513-R516 WeakPolarHBondContact O-CB 3.48Å; G513-R516 PolarHBondContact O-N 3.27Å; G513-E517 PolarHBondContact O-N 3.1Å; G513-E517 VanDerWaalsContact O-N 3.13Å |
| 514 | D | 86.6 | Confident | 88.8 | Confident | 122 Ų | 122 | 86.2 Ų | 86.2 | 65% | 0.652 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -57.3 | -32.9 | -179.9 | -50.5 | -14.6 | 0 | 0 | 0 | 113.4 | P512 | P512-D514 PolarHBondContact O-N 2.79Å |
| 515 | Q | 89.1 | Confident | 89 | Confident | 39 Ų | 39 | 85.9 Ų | 85.9 | 18% | 0.182 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -77.8 | -26.4 | 178.2 | -69.3 | 179.8 | 7.7 | 0 | 0 | 112.1 | V436 V437 V438 L511 P512 G513 | V436-Q515 WeakPolarHBondContact O-CB 3.22Å; V436-Q515 VanDerWaalsContact O-CD 3.3Å; V436-Q515 PolarHBondContact O-OE1 2.95Å; V437-Q515 HydrophobicContact CG1-CB 4.08Å; V437-Q515 HydrophobicContact CG1-CG 4.1Å; V438-Q515 PolarHBondContact N-O 3.24Å; L511-Q515 HydrophobicContact CB-CB 4.33Å; P512-Q515 HydrophobicContact CG-CG 4.48Å; P512-Q515 PolarHBondContact O-N 3.46Å; P512-Q515 VanDerWaalsContact O-N 3.09Å; G513-Q515 PolarHBondContact O-N 3.44Å; G513-Q515 VanDerWaalsContact O-N 3.14Å |
| 516 | R | 88.6 | Confident | 89.5 | Confident | 44 Ų | 44 | 82.5 Ų | 82.5 | 17% | 0.166 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -77.4 | -27.9 | 175.4 | -64.5 | 178.4 | -159.7 | 164.9 | 10.4 | 113.3 | P508 W509 L511 P512 G513 R519 | P508-R516 PolarHBondContact O-NE 3.31Å; W509-R516 VanDerWaalsContact C-NH2 3.28Å; W509-R516 VanDerWaalsContact CA-NH2 3.27Å; W509-R516 PolarHBondContact O-NH2 3.32Å; L511-R516 HydrophobicContact CB-CG 3.81Å; L511-R516 PolarHBondContact O-NE 3.43Å; L511-R516 PolarHBondContact O-NH2 3.37Å; P512-R516 WeakPolarHBondContact O-CG 3.36Å; P512-R516 PolarHBondContact O-N 3.12Å; P512-R516 VanDerWaalsContact O-N 3.12Å; G513-R516 WeakPolarHBondContact O-CA 3.43Å; G513-R516 WeakPolarHBondContact O-CB 3.48Å; G513-R516 PolarHBondContact O-N 3.27Å; R516-R519 VanDerWaalsContact O-CG 3.3Å; R516-R519 WeakPolarHBondContact O-CG 3.42Å; R516-R519 PolarHBondContact O-NE 2.94Å |
| 517 | E | 89.3 | Confident | 90 | Very high | 156 Ų | 156 | 74.9 Ų | 74.9 | 73% | 0.729 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -75.3 | -29.8 | 178.3 | -69.6 | -180 | -176.6 | 0 | 0 | 112.1 | G513 R519 | G513-E517 PolarHBondContact O-N 3.1Å; G513-E517 VanDerWaalsContact O-N 3.13Å; E517-R519 PolarHBondContact O-N 3.48Å |
| 518 | K | 93.6 | Very high | 90.4 | Very high | 128 Ų | 128 | 76.4 Ų | 76.4 | 56% | 0.557 | 38% | 0.38 | S | S | * | . | trans | -72.8 | 94.4 | 173.4 | -67.9 | 175.8 | -176.1 | 178.9 | 0 | 110.3 | V437 V438 A439 | V437-K518 HydrophobicContact CB-CB 4.09Å; V437-K518 HydrophobicContact CG1-CB 4.14Å; V437-K518 HydrophobicContact CG1-CD 3.94Å; V438-K518 CarbonylContact C-O 3.53Å; V438-K518 PolarHBondContact N-O 3.49Å; A439-K518 WeakPolarHBondContact CB-O 3.12Å; A439-K518 PolarHBondContact N-O 2.98Å | ||
| 519 | R | 95.7 | Very high | 90.5 | Very high | 84 Ų | 84 | 79.7 Ų | 79.7 | 32% | 0.317 | 40% | 0.402 | S | S | . | . | trans | -117.2 | -7.6 | -176.3 | -59.4 | -169.1 | 178.8 | -151 | 2.6 | 115.1 | V438 V501 A502 R516 E517 | V438-R519 HydrophobicContact CB-CG 4.02Å; V438-R519 HydrophobicContact CG1-CB 4.29Å; V438-R519 HydrophobicContact CG1-CG 3.79Å; V501-R519 WeakPolarHBondContact CA-O 3.36Å; V501-R519 HydrophobicContact CG1-CB 4.18Å; A502-R519 PolarHBondContact N-O 3.18Å; R516-R519 VanDerWaalsContact O-CG 3.3Å; R516-R519 WeakPolarHBondContact O-CG 3.42Å; R516-R519 PolarHBondContact O-NE 2.94Å; E517-R519 PolarHBondContact O-N 3.48Å | ||
| 520 | E | 96.3 | Very high | 90.6 | Very high | 108 Ų | 108 | 72 Ų | 72 | 51% | 0.505 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 153.9 | -169 | 65 | 176.1 | -140.9 | 0 | 0 | 114.1 | K499 V500 V501 | K499-E520 HydrophobicContact CD-CB 4.39Å; K499-E520 VanDerWaalsContact CD-OE2 3.31Å; K499-E520 WeakPolarHBondContact CD-OE2 3.42Å; K499-E520 WeakPolarHBondContact CE-OE2 3.44Å; K499-E520 HydrophobicContact CG-CB 4.25Å; K499-E520 IonicContact NZ-OE1 2.94Å; K499-E520 IonicContact NZ-OE2 3.36Å; K499-E520 PolarHBondContact NZ-OE2 3.08Å; V500-E520 VanDerWaalsContact O-CA 3.31Å; V500-E520 WeakPolarHBondContact O-CA 3.49Å; V501-E520 HydrophobicContact CB-CB 4.5Å; V501-E520 HydrophobicContact CG2-CB 3.91Å |
| 521 | I | 97.3 | Very high | 90.5 | Very high | 44 Ų | 44 | 66.4 Ų | 66.4 | 23% | 0.226 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 145.5 | 170 | -174.3 | 166.8 | 0 | 0 | 0 | 108.1 | P440 L443 K499 V500 | P440-I521 HydrophobicContact CB-CG2 4.44Å; P440-I521 HydrophobicContact CG-CG2 3.71Å; L443-I521 HydrophobicContact CB-CD1 3.81Å; L443-I521 HydrophobicContact CB-CG1 3.95Å; L443-I521 HydrophobicContact CB-CG2 3.97Å; L443-I521 HydrophobicContact CD2-CG1 4.5Å; L443-I521 HydrophobicContact CD2-CG2 4.09Å; L443-I521 HydrophobicContact CG-CG2 4.43Å; K499-I521 CarbonylContact C-O 3.53Å; K499-I521 WeakPolarHBondContact CA-O 3.14Å; V500-I521 HydrophobicContact CB-CG2 4.32Å; V500-I521 PolarHBondContact N-O 2.77Å; V500-I521 PolarHBondContact O-N 2.82Å |
| 522 | S | 97.2 | Very high | 90.5 | Very high | 62 Ų | 62 | 68.7 Ų | 68.7 | 43% | 0.434 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 153.9 | 179.8 | 65.2 | 0 | 0 | 0 | 0 | 112.3 | V498 | V498-S522 CarbonylContact O-C 3.55Å; V498-S522 WeakPolarHBondContact O-CA 3.47Å; V498-S522 VanDerWaalsContact O-CB 3.26Å; V498-S522 WeakPolarHBondContact O-CB 3.44Å |
| 523 | V | 97.4 | Very high | 90.7 | Very high | 43 Ų | 43 | 65.5 Ų | 65.5 | 26% | 0.261 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 148.1 | 176.6 | 69.6 | 0 | 0 | 0 | 0 | 108.8 | L443 V445 V498 | L443-V523 HydrophobicContact CD2-CB 3.97Å; L443-V523 HydrophobicContact CD2-CG1 3.5Å; L443-V523 VanDerWaalsContact CD2-CG1 3.5Å; L443-V523 HydrophobicContact CG-CB 4.39Å; L443-V523 HydrophobicContact CG-CG1 3.82Å; V445-V523 HydrophobicContact CG2-CG1 3.52Å; V498-V523 HydrophobicContact CB-CG1 4.33Å; V498-V523 PolarHBondContact N-O 2.94Å; V498-V523 PolarHBondContact O-N 2.89Å |
| 524 | E | 97 | Very high | 91.1 | Very high | 122 Ų | 122 | 67.1 Ų | 67.1 | 57% | 0.57 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 139.6 | 175.5 | -68.4 | 174.7 | -173.9 | 0 | 0 | 109.2 | Y496 K497 | Y496-E524 CarbonylContact O-C 3.44Å; Y496-E524 WeakPolarHBondContact O-CA 3.41Å; K497-E524 HydrophobicContact CB-CG 3.91Å; K497-E524 HydrophobicContact CD-CG 4.33Å; K497-E524 WeakPolarHBondContact CD-OE1 3.46Å; K497-E524 HydrophobicContact CG-CG 3.84Å; K497-E524 IonicContact NZ-OE1 3.32Å |
| 525 | F | 96.6 | Very high | 91.5 | Very high | 14 Ų | 14 | 63.1 Ų | 63.1 | 6% | 0.061 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 155.9 | 175.6 | 78.4 | -84.3 | 0 | 0 | 0 | 110.2 | V445 I448 A453 L490 V495 Y496 V498 T527 | V445-F525 HydrophobicContact CB-CB 4.24Å; V445-F525 HydrophobicContact CB-CD1 4.47Å; V445-F525 HydrophobicContact CB-CG 4.34Å; V445-F525 HydrophobicContact CG1-CB 4.2Å; V445-F525 HydrophobicContact CG1-CD1 3.99Å; V445-F525 HydrophobicContact CG1-CD2 4.07Å; V445-F525 HydrophobicContact CG1-CE1 4.37Å; V445-F525 HydrophobicContact CG1-CE2 4.45Å; V445-F525 HydrophobicContact CG1-CG 3.82Å; V445-F525 HydrophobicContact CG2-CB 4.35Å; V445-F525 HydrophobicContact CG2-CD1 4.05Å; V445-F525 HydrophobicContact CG2-CG 4.36Å; I448-F525 HydrophobicContact CD1-CB 3.98Å; I448-F525 HydrophobicContact CD1-CD2 4.02Å; I448-F525 HydrophobicContact CD1-CG 4.37Å; I448-F525 HydrophobicContact CG1-CD2 4.1Å; I448-F525 HydrophobicContact CG2-CD2 3.99Å; I448-F525 HydrophobicContact CG2-CE2 4.32Å; A453-F525 HydrophobicContact CB-CD2 4.24Å; A453-F525 HydrophobicContact CB-CE2 3.52Å; A453-F525 HydrophobicContact CB-CZ 3.76Å; L490-F525 HydrophobicContact CD1-CE2 3.87Å; L490-F525 HydrophobicContact CD1-CZ 3.68Å; V495-F525 WeakPolarHBondContact CA-O 3.35Å; Y496-F525 VanDerWaalsContact CB-CE1 3.47Å; Y496-F525 HydrophobicContact CD2-CE2 4.25Å; Y496-F525 HydrophobicContact CD2-CZ 4.06Å; Y496-F525 HydrophobicContact CG-CE1 4.33Å; Y496-F525 HydrophobicContact CG-CZ 4.13Å; Y496-F525 PolarHBondContact N-O 3.28Å; Y496-F525 PolarHBondContact O-N 3.45Å; V498-F525 HydrophobicContact CG2-CD1 3.77Å; V498-F525 HydrophobicContact CG2-CE1 3.38Å; F525-T527 HydrophobicContact CE2-CG2 4.05Å |
| 526 | C | 95.6 | Very high | 91.7 | Very high | 62 Ų | 62 | 61.3 Ų | 61.3 | 42% | 0.419 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 125.8 | 176.8 | -171.2 | 0 | 0 | 0 | 0 | 109.4 | I448 T494 V495 | I448-C526 WeakPolarHBondContact CG2-O 3.5Å; T494-C526 WeakPolarHBondContact O-CA 3.44Å; V495-C526 HydrophobicContact CG2-CB 4.16Å |
| 527 | T | 94 | Very high | 92 | Very high | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.018 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 151.9 | 172.4 | 52.6 | 0 | 0 | 0 | 0 | 111.1 | L490 K491 M493 T494 Y496 F525 | L490-T527 HydrophobicContact CB-CG2 3.85Å; L490-T527 HydrophobicContact CD1-CG2 3.87Å; K491-T527 PolarHBondContact O-OG1 2.92Å; M493-T527 PolarHBondContact N-OG1 3.04Å; T494-T527 PolarHBondContact N-OG1 3.11Å; T494-T527 PolarHBondContact O-N 3.24Å; T494-T527 PolarHBondContact O-OG1 2.88Å; Y496-T527 HydrophobicContact CD2-CG2 3.91Å; Y496-T527 HydrophobicContact CE2-CG2 3.73Å; F525-T527 HydrophobicContact CE2-CG2 4.05Å |
| 528 | Q | 89.3 | Confident | 92.2 | Very high | 103 Ų | 103 | 61.6 Ų | 61.6 | 48% | 0.481 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 157.5 | 178.2 | -60.6 | -172.5 | 0.1 | 0 | 0 | 112.1 | I448 T449 Q450 M493 | I448-Q528 VanDerWaalsContact O-CD 3.27Å; I448-Q528 WeakPolarHBondContact O-CG 3.36Å; I448-Q528 PolarHBondContact O-NE2 3.06Å; T449-Q528 PolarHBondContact O-N 3.23Å; T449-Q528 VanDerWaalsContact O-N 3.14Å; Q450-Q528 WeakPolarHBondContact CA-O 3.39Å; Q450-Q528 HydrophobicContact CB-CB 4.38Å; Q450-Q528 WeakPolarHBondContact CB-O 3.49Å; M493-Q528 PolarHBondContact N-O 3.11Å |
| 529 | P | 85.8 | Confident | 92.3 | Very high | 78 Ų | 78 | 56.2 Ų | 56.2 | 51% | 0.506 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 154.8 | 166.6 | -19.4 | 29.8 | 0 | 0 | 0 | 111 | Q450 M493 G531 | Q450-P529 WeakPolarHBondContact CB-O 3.41Å; M493-P529 HydrophobicContact CE-CG 4.36Å; M493-P529 HydrophobicContact SD-CB 4.26Å; M493-P529 HydrophobicContact SD-CG 3.8Å; P529-G531 PolarHBondContact O-N 3.35Å; P529-G531 VanDerWaalsContact O-N 3.16Å |
| 530 | A | 81.9 | Confident | 92.2 | Very high | 31 Ų | 31 | 56.9 Ų | 56.9 | 26% | 0.256 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 123.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | G567 Q616 | A530-G567 VanDerWaalsContact CB-C 3.5Å; A530-G567 WeakPolarHBondContact CB-O 3.14Å; A530-Q616 HydrophobicContact CB-CG 4.31Å |
| 531 | G | 76.3 | Confident | 92 | Very high | 16 Ų | 16 | 52.5 Ų | 52.5 | 17% | 0.165 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -80.9 | 169.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | P529 N566 A568 | P529-G531 PolarHBondContact O-N 3.35Å; P529-G531 VanDerWaalsContact O-N 3.16Å; G531-N566 WeakPolarHBondContact CA-ND2 3.27Å; G531-N566 PolarHBondContact N-O 2.94Å; G531-A568 WeakPolarHBondContact O-CB 3.24Å |
| 532 | P | 84.9 | Confident | 91.6 | Very high | 74 Ų | 74 | 54.1 Ų | 54.1 | 48% | 0.481 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 142.6 | 171.2 | 25.4 | -32.9 | 0 | 0 | 0 | 109.3 | N566 | P532-N566 WeakPolarHBondContact O-CB 3.39Å; P532-N566 PolarHBondContact O-ND2 3.28Å |
| 533 | P | 90 | Very high | 90.8 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.019 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 151.4 | 180 | 26.7 | -35 | 0 | 0 | 0 | 110 | A568 V570 T612 S614 S619 | P533-A568 HydrophobicContact CB-CB 4.34Å; P533-V570 HydrophobicContact CB-CG2 4.23Å; P533-T612 HydrophobicContact CB-CG2 3.74Å; P533-T612 HydrophobicContact CG-CG2 4.1Å; P533-S614 WeakPolarHBondContact CD-OG 3.14Å; P533-S619 WeakPolarHBondContact O-CA 3.2Å; P533-S619 WeakPolarHBondContact O-CB 3.42Å |
| 534 | L | 90.8 | Very high | 89.8 | Confident | 74 Ų | 74 | 53.6 Ų | 53.6 | 39% | 0.387 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 142.7 | 176 | -66.4 | 172 | 0 | 0 | 0 | 109.9 | P557 S565 N566 T612 | L534-P557 HydrophobicContact CB-CB 3.8Å; L534-P557 WeakPolarHBondContact O-CG 3.47Å; L534-S565 PolarHBondContact N-OG 3.13Å; L534-S565 VanDerWaalsContact N-OG 3.12Å; L534-N566 HydrophobicContact CG-CB 4.34Å; L534-T612 WeakPolarHBondContact O-CB 3.39Å; L534-T612 PolarHBondContact O-OG1 3.3Å |
| 535 | P | 94.6 | Very high | 88.7 | Confident | 38 Ų | 38 | 57.5 Ų | 57.5 | 25% | 0.247 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 152.6 | 174.3 | 28.3 | -33.9 | 0 | 0 | 0 | 111 | Q620 | P535-Q620 WeakPolarHBondContact CB-O 3.46Š|
| 536 | P | 94.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 153.1 | 173.7 | 30.5 | -31.5 | 0 | 0 | 0 | 110.8 | W554 K555 Y573 V610 T612 S622 | P536-W554 HydrophobicContact CB-CB 4.08Å; P536-W554 HydrophobicContact CB-CG 3.96Å; P536-W554 HydrophobicContact CG-CG 4.49Å; P536-K555 WeakPolarHBondContact CA-O 3.47Å; P536-K555 WeakPolarHBondContact CB-O 3.36Å; P536-Y573 HydrophobicContact CB-CD1 4.34Å; P536-Y573 HydrophobicContact CB-CE1 4.2Å; P536-Y573 HydrophobicContact CG-CD1 4.22Å; P536-V610 HydrophobicContact CG-CB 3.68Å; P536-V610 HydrophobicContact CG-CG1 3.63Å; P536-T612 WeakPolarHBondContact CD-OG1 3.33Å; P536-S622 WeakPolarHBondContact O-CB 3.33Å |
| 537 | Q | 94.1 | Very high | 87 | Confident | 95 Ų | 95 | 64.1 Ų | 64.1 | 44% | 0.444 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 167.9 | -176.2 | -63.8 | 175.6 | 17.8 | 0 | 0 | 110.9 | V539 K555 | Q537-V539 VanDerWaalsContact C-N 3.3Å; Q537-V539 PolarHBondContact O-N 3.44Å; Q537-K555 HydrophobicContact CB-CB 4.36Å; Q537-K555 PolarHBondContact N-O 3.13Å; Q537-K555 WeakPolarHBondContact O-CB 3.34Å; Q537-K555 PolarHBondContact O-N 2.97Å |
| 538 | E | 93.4 | Very high | 86.4 | Confident | 111 Ų | 111 | 65.6 Ų | 65.6 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 53.6 | 42.5 | 172.1 | -58.2 | 173.6 | -144.8 | 0 | 0 | 113.7 | Q540 K555 | E538-Q540 PolarHBondContact O-N 3.41Å; E538-K555 HydrophobicContact CB-CB 4.24Å; E538-K555 HydrophobicContact CG-CD 4.45Å; E538-K555 WeakPolarHBondContact OE1-CD 3.38Å; E538-K555 IonicContact OE1-NZ 3.66Å; E538-K555 PolarHBondContact OE1-NZ 2.97Å |
| 539 | V | 94.9 | Very high | 86.3 | Confident | 16 Ų | 16 | 62.1 Ų | 62.1 | 10% | 0.097 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 127.2 | 179.4 | -173.7 | 0 | 0 | 0 | 0 | 110.4 | Q537 V552 R553 W554 V610 S622 A625 | Q537-V539 VanDerWaalsContact C-N 3.3Å; Q537-V539 PolarHBondContact O-N 3.44Å; V539-V552 HydrophobicContact CG1-CG1 4.08Å; V539-R553 CarbonylContact C-O 3.51Å; V539-R553 WeakPolarHBondContact CA-O 3.39Å; V539-W554 HydrophobicContact CG2-CB 4.01Å; V539-V610 HydrophobicContact CG1-CG2 3.61Å; V539-V610 HydrophobicContact CG2-CB 4.29Å; V539-V610 HydrophobicContact CG2-CG2 4.07Å; V539-S622 WeakPolarHBondContact CG2-OG 3.45Å; V539-A625 HydrophobicContact CB-CB 4.08Å; V539-A625 HydrophobicContact CG1-CB 3.63Å; V539-A625 WeakPolarHBondContact O-CB 3.43Å |
| 540 | Q | 93.3 | Very high | 86.5 | Confident | 97 Ų | 97 | 58.4 Ų | 58.4 | 45% | 0.453 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 149.8 | -177.6 | -64.5 | 176.7 | 23 | 0 | 0 | 110.8 | E538 V552 R553 | E538-Q540 PolarHBondContact O-N 3.41Å; Q540-V552 WeakPolarHBondContact O-CA 3.5Å; Q540-R553 PolarHBondContact N-O 3.46Å; Q540-R553 PolarHBondContact O-N 2.72Å |
| 541 | V | 92.5 | Very high | 87 | Confident | 17 Ų | 17 | 59 Ų | 59 | 10% | 0.103 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 124.6 | 176 | -176.2 | 0 | 0 | 0 | 0 | 109 | L550 V552 V608 A625 I627 | V541-L550 HydrophobicContact CG1-CD1 4.38Å; V541-L550 HydrophobicContact CG1-CD2 4Å; V541-V552 HydrophobicContact CG2-CG2 4.43Å; V541-V608 HydrophobicContact CG2-CG2 3.4Å; V541-V608 VanDerWaalsContact CG2-CG2 3.4Å; V541-A625 HydrophobicContact CG2-CB 4.09Å; V541-I627 HydrophobicContact CG1-CG2 4.42Å; V541-I627 HydrophobicContact CG2-CG1 4.44Å |
| 542 | Q | 89.8 | Confident | 87.9 | Confident | 78 Ų | 78 | 58.2 Ų | 58.2 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 158.2 | -179.1 | -60.4 | -177.2 | 12.4 | 0 | 0 | 110.5 | G544 Q551 | Q542-G544 PolarHBondContact O-N 2.94Å; Q542-Q551 PolarHBondContact N-O 2.6Å; Q542-Q551 PolarHBondContact O-N 2.92Å |
| 543 | C | 80.6 | Confident | 88.4 | Confident | 82 Ų | 82 | 59.8 Ų | 59.8 | 55% | 0.554 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 126.9 | 172.6 | -166 | 0 | 0 | 0 | 0 | 109.2 | L631 | C543-L631 HydrophobicContact CB-CD1 4.5Å; C543-L631 HydrophobicContact CB-CD2 3.72Å |
| 544 | G | 74.8 | Confident | 88.7 | Confident | 12 Ų | 12 | 59.9 Ų | 59.9 | 12% | 0.124 | 32% | 0.322 | C | S | . | . | trans | -67.1 | 159.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q542 T546 V549 | Q542-G544 PolarHBondContact O-N 2.94Å; G544-T546 PolarHBondContact O-N 2.86Å; G544-V549 WeakPolarHBondContact CA-O 3.4Å; G544-V549 PolarHBondContact N-O 3.14Å | ||
| 545 | Q | 75.9 | Confident | 88.9 | Confident | 203 Ų | 203 | 61.2 Ų | 61.2 | 95% | 0.949 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -66.8 | -22.8 | 175.2 | -65.1 | -177 | -15.3 | 0 | 0 | 112.4 | ||
| 546 | T | 76.8 | Confident | 88.9 | Confident | 90 Ų | 90 | 61.2 Ų | 61.2 | 55% | 0.552 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -95.7 | 130.6 | 177.5 | -41.8 | 0 | 0 | 0 | 0 | 110.2 | G544 G548 V549 | G544-T546 PolarHBondContact O-N 2.86Å; T546-G548 PolarHBondContact O-N 2.94Å; T546-V549 HydrophobicContact CG2-CG2 4.48Å; T546-V549 PolarHBondContact O-N 3.34Å |
| 547 | P | 77.8 | Confident | 88.7 | Confident | 125 Ų | 125 | 61.4 Ų | 61.4 | 81% | 0.812 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 135.7 | 172.2 | -23.7 | 33.1 | 0 | 0 | 0 | 111.3 | ||
| 548 | G | 81.6 | Confident | 88.4 | Confident | 34 Ų | 34 | 61.3 Ų | 61.3 | 35% | 0.351 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | 5.5 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | T546 L597 | T546-G548 PolarHBondContact O-N 2.94Å; G548-L597 WeakPolarHBondContact O-CB 3.42Å; G548-L597 PolarHBondContact O-N 3.28Å |
| 549 | V | 88.5 | Confident | 88.1 | Confident | 30 Ų | 30 | 58.5 Ų | 58.5 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 132.4 | 178.6 | -176.5 | 0 | 0 | 0 | 0 | 111.3 | G544 T546 | G544-V549 WeakPolarHBondContact CA-O 3.4Å; G544-V549 PolarHBondContact N-O 3.14Å; T546-V549 HydrophobicContact CG2-CG2 4.48Å; T546-V549 PolarHBondContact O-N 3.34Å |
| 550 | L | 89.5 | Confident | 87.5 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 143 | 168.5 | -78.1 | 171.8 | 0 | 0 | 0 | 110.3 | V541 S594 V595 L597 I600 I627 L631 | V541-L550 HydrophobicContact CG1-CD1 4.38Å; V541-L550 HydrophobicContact CG1-CD2 4Å; L550-S594 CarbonylContact O-C 3.54Å; L550-S594 WeakPolarHBondContact O-CA 3.37Å; L550-V595 PolarHBondContact N-O 3.38Å; L550-V595 PolarHBondContact O-N 2.96Å; L550-L597 HydrophobicContact CD1-CD2 3.42Å; L550-L597 VanDerWaalsContact CD1-CD2 3.42Å; L550-L597 HydrophobicContact CD1-CG 4.04Å; L550-L597 HydrophobicContact CD2-CD2 4.33Å; L550-L597 HydrophobicContact CG-CD1 4.35Å; L550-L597 HydrophobicContact CG-CD2 3.62Å; L550-L597 HydrophobicContact CG-CG 3.77Å; L550-I600 HydrophobicContact CB-CD1 4.37Å; L550-I600 HydrophobicContact CD1-CD1 3.49Å; L550-I600 VanDerWaalsContact CD1-CD1 3.49Å; L550-I627 HydrophobicContact CD1-CG2 4Å; L550-L631 HydrophobicContact CD2-CB 3.92Å; L550-L631 HydrophobicContact CD2-CD1 3.52Å; L550-L631 HydrophobicContact CD2-CG 4.26Å |
| 551 | Q | 92.8 | Very high | 86.8 | Confident | 44 Ų | 44 | 61.2 Ų | 61.2 | 21% | 0.206 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 118.5 | 172.5 | -165.5 | 175.8 | 25.7 | 0 | 0 | 108.7 | Q542 F592 | Q542-Q551 PolarHBondContact N-O 2.6Å; Q542-Q551 PolarHBondContact O-N 2.92Å; Q551-F592 HydrophobicContact CG-CB 4.1Å; Q551-F592 HydrophobicContact CG-CD2 3.88Å; Q551-F592 HydrophobicContact CG-CG 4.27Å |
| 552 | V | 94.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 120.7 | 171.3 | -175.2 | 0 | 0 | 0 | 0 | 106.8 | V539 Q540 V541 W554 V575 F592 V593 V595 V608 V610 | V539-V552 HydrophobicContact CG1-CG1 4.08Å; Q540-V552 WeakPolarHBondContact O-CA 3.5Å; V541-V552 HydrophobicContact CG2-CG2 4.43Å; V552-W554 HydrophobicContact CB-CZ3 4.38Å; V552-W554 HydrophobicContact CG1-CE3 4.19Å; V552-W554 HydrophobicContact CG1-CZ3 4.25Å; V552-W554 WeakPolarHBondContact O-CZ3 3.2Å; V552-V575 HydrophobicContact CB-CG2 4.41Å; V552-V575 HydrophobicContact CG1-CG1 4.26Å; V552-V575 HydrophobicContact CG1-CG2 4.31Å; V552-V575 HydrophobicContact CG2-CG1 4.2Å; V552-F592 CarbonylContact O-C 3.54Å; V552-F592 WeakPolarHBondContact O-CA 3.42Å; V552-F592 WeakPolarHBondContact O-CB 3.44Å; V552-V593 HydrophobicContact CB-CG1 4.48Å; V552-V593 PolarHBondContact N-O 2.87Å; V552-V593 PolarHBondContact O-N 3Å; V552-V595 HydrophobicContact CG2-CG2 3.97Å; V552-V608 HydrophobicContact CG1-CG2 4.09Å; V552-V608 HydrophobicContact CG2-CG2 4.33Å; V552-V610 HydrophobicContact CG1-CG2 3.95Å |
| 553 | R | 95.3 | Very high | 85.8 | Confident | 106 Ų | 106 | 62.3 Ų | 62.3 | 40% | 0.4 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 145 | -174 | -171.2 | 177.8 | 146 | 78.5 | 7.8 | 109.4 | V539 Q540 D591 F592 | V539-R553 CarbonylContact C-O 3.51Å; V539-R553 WeakPolarHBondContact CA-O 3.39Å; Q540-R553 PolarHBondContact N-O 3.46Å; Q540-R553 PolarHBondContact O-N 2.72Å; R553-D591 CarbonylContact C-O 3.6Å; R553-D591 VanDerWaalsContact CA-O 3.3Å; R553-D591 WeakPolarHBondContact CA-O 3.45Å; R553-D591 VanDerWaalsContact CG-O 3.28Å; R553-D591 WeakPolarHBondContact CG-O 3.38Å; R553-D591 IonicContact CZ-OD2 2.81Å; R553-D591 IonicContact NH1-OD2 2.67Å; R553-D591 PolarHBondContact NH1-OD2 3Å; R553-F592 HydrophobicContact CB-CB 4.18Å; R553-F592 HydrophobicContact CG-CB 4.21Å |
| 554 | W | 96.6 | Very high | 86.1 | Confident | 6 Ų | 6 | 59.6 Ų | 59.6 | 2% | 0.023 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 168.8 | -179 | 59.8 | 84.4 | 0 | 0 | 0 | 110.9 | P536 V539 V552 Y573 V575 V585 A590 D591 F592 V593 V610 | P536-W554 HydrophobicContact CB-CB 4.08Å; P536-W554 HydrophobicContact CB-CG 3.96Å; P536-W554 HydrophobicContact CG-CG 4.49Å; V539-W554 HydrophobicContact CG2-CB 4.01Å; V552-W554 HydrophobicContact CB-CZ3 4.38Å; V552-W554 HydrophobicContact CG1-CE3 4.19Å; V552-W554 HydrophobicContact CG1-CZ3 4.25Å; V552-W554 WeakPolarHBondContact O-CZ3 3.2Å; W554-Y573 AromaticContact CE2-CD2 3.95Å; W554-Y573 AromaticContact CE2-CG 3.79Å; W554-Y573 HydrophobicContact CZ2-CD1 4.49Å; W554-Y573 AromaticContact CZ2-CD2 3.69Å; W554-Y573 HydrophobicContact CZ2-CD2 3.69Å; W554-Y573 AromaticContact CZ2-CG 3.68Å; W554-Y573 HydrophobicContact CZ2-CG 3.68Å; W554-Y573 AromaticContact NE1-CD1 3.68Å; W554-Y573 AromaticContact NE1-CD2 3.67Å; W554-Y573 AromaticContact NE1-CE1 3.79Å; W554-Y573 AromaticContact NE1-CE2 3.78Å; W554-Y573 AromaticContact NE1-CG 3.63Å; W554-Y573 AromaticContact NE1-CZ 3.85Å; W554-V575 HydrophobicContact CH2-CG2 4.41Å; W554-V575 HydrophobicContact CZ3-CG2 3.99Å; W554-V585 HydrophobicContact CH2-CG1 3.87Å; W554-V585 HydrophobicContact CZ2-CG1 3.77Å; W554-A590 HydrophobicContact CZ2-CB 4.33Å; W554-A590 PolarHBondContact NE1-O 3.44Å; W554-D591 PolarHBondContact N-O 3.04Å; W554-D591 WeakPolarHBondContact O-CA 3.47Å; W554-D591 WeakPolarHBondContact O-CB 3.26Å; W554-D591 VanDerWaalsContact O-O 3.06Å; W554-F592 VanDerWaalsContact CH2-C 3.4Å; W554-V593 HydrophobicContact CH2-CB 3.84Å; W554-V593 HydrophobicContact CH2-CG1 3.84Å; W554-V593 HydrophobicContact CZ3-CB 4.21Å; W554-V593 HydrophobicContact CZ3-CG1 3.83Å; W554-V610 HydrophobicContact CD2-CG1 4.05Å; W554-V610 HydrophobicContact CD2-CG2 4.5Å; W554-V610 HydrophobicContact CE3-CG1 4.07Å; W554-V610 HydrophobicContact CE3-CG2 3.94Å; W554-V610 HydrophobicContact CZ3-CG1 4.32Å; W554-V610 HydrophobicContact CZ3-CG2 4.4Å |
| 555 | K | 95.5 | Very high | 86.7 | Confident | 101 Ų | 101 | 59 Ų | 59 | 44% | 0.439 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 117.5 | 169.8 | -174 | 177.9 | -175.4 | 179.9 | 0 | 109.4 | P536 Q537 E538 | P536-K555 WeakPolarHBondContact CA-O 3.47Å; P536-K555 WeakPolarHBondContact CB-O 3.36Å; Q537-K555 HydrophobicContact CB-CB 4.36Å; Q537-K555 PolarHBondContact N-O 3.13Å; Q537-K555 WeakPolarHBondContact O-CB 3.34Å; Q537-K555 PolarHBondContact O-N 2.97Å; E538-K555 HydrophobicContact CB-CB 4.24Å; E538-K555 HydrophobicContact CG-CD 4.45Å; E538-K555 WeakPolarHBondContact OE1-CD 3.38Å; E538-K555 IonicContact OE1-NZ 3.66Å; E538-K555 PolarHBondContact OE1-NZ 2.97Å |
| 556 | P | 93.3 | Very high | 87.1 | Confident | 39 Ų | 39 | 51.7 Ų | 51.7 | 25% | 0.253 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -49.4 | 143.7 | 172.5 | -33 | 39.4 | 0 | 0 | 0 | 112.4 | Y573 D591 | P556-Y573 VanDerWaalsContact CB-OH 3.31Å; P556-Y573 WeakPolarHBondContact CB-OH 3.49Å; P556-D591 HydrophobicContact CG-CB 4.47Å |
| 557 | P | 91.3 | Very high | 87.1 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.019 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 159.1 | 170.3 | 29.2 | -35.7 | 0 | 0 | 0 | 110.4 | L534 L559 Y573 T612 | L534-P557 HydrophobicContact CB-CB 3.8Å; L534-P557 WeakPolarHBondContact O-CG 3.47Å; P557-L559 HydrophobicContact CG-CD2 4.28Å; P557-L559 WeakPolarHBondContact O-CG 3.47Å; P557-L559 PolarHBondContact O-N 3.27Å; P557-L559 VanDerWaalsContact O-N 3.08Å; P557-Y573 WeakPolarHBondContact CD-OH 3.48Å; P557-T612 HydrophobicContact CG-CG2 4.24Å |
| 558 | P | 87.4 | Confident | 87.5 | Confident | 94 Ų | 94 | 42.1 Ų | 42.1 | 61% | 0.61 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 118.5 | 173.9 | -22.6 | 33.1 | 0 | 0 | 0 | 110.5 | ||
| 559 | L | 86.9 | Confident | 87.9 | Confident | 51 Ų | 51 | 42.9 Ų | 42.9 | 27% | 0.267 | 25% | 0.252 | S | S | . | . | trans | -105 | 139.4 | 177.4 | -59 | -178.1 | 0 | 0 | 0 | 109.9 | P557 T564 V570 P588 T589 | P557-L559 HydrophobicContact CG-CD2 4.28Å; P557-L559 WeakPolarHBondContact O-CG 3.47Å; P557-L559 PolarHBondContact O-N 3.27Å; P557-L559 VanDerWaalsContact O-N 3.08Å; L559-T564 WeakPolarHBondContact CA-O 3.05Å; L559-V570 HydrophobicContact CD2-CB 4.09Å; L559-V570 HydrophobicContact CD2-CG2 3.65Å; L559-P588 HydrophobicContact CD1-CB 4.23Å; L559-P588 WeakPolarHBondContact CD1-O 3.45Å; L559-T589 HydrophobicContact CD1-CG2 4.17Å | ||
| 560 | T | 81.9 | Confident | 88.1 | Confident | 35 Ų | 35 | 41.9 Ų | 41.9 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | trans | -69.1 | 164.7 | 166.9 | 61.8 | 0 | 0 | 0 | 0 | 110.6 | S562 G563 T564 | T560-S562 PolarHBondContact O-N 3.2Å; T560-S562 VanDerWaalsContact O-N 3.07Å; T560-S562 PolarHBondContact OG1-OG 3.3Å; T560-G563 PolarHBondContact O-N 2.91Å; T560-T564 WeakPolarHBondContact CG2-OG1 3.43Å; T560-T564 PolarHBondContact N-O 2.99Å; T560-T564 PolarHBondContact OG1-N 3.1Å; T560-T564 PolarHBondContact OG1-O 3.27Å; T560-T564 PolarHBondContact OG1-OG1 3.48Å | ||
| 561 | P | 78.9 | Confident | 88.3 | Confident | 136 Ų | 136 | 45.1 Ų | 45.1 | 88% | 0.883 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -22.4 | 173.1 | -25.9 | 35.3 | 0 | 0 | 0 | 114.1 | G563 | P561-G563 VanDerWaalsContact C-N 3.3Š|
| 562 | S | 78.1 | Confident | 88.5 | Confident | 95 Ų | 95 | 43 Ų | 43 | 66% | 0.664 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 8.1 | 174.4 | 51.2 | 0 | 0 | 0 | 0 | 113.7 | T560 | T560-S562 PolarHBondContact O-N 3.2Å; T560-S562 VanDerWaalsContact O-N 3.07Å; T560-S562 PolarHBondContact OG1-OG 3.3Å |
| 563 | G | 84.4 | Confident | 88.6 | Confident | 22 Ų | 22 | 43.1 Ų | 43.1 | 23% | 0.227 | 25% | 0.253 | C | S | . | . | S | Bend | trans | 74.4 | 23 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | T560 P561 V570 | T560-G563 PolarHBondContact O-N 2.91Å; P561-G563 VanDerWaalsContact C-N 3.3Å; G563-V570 PolarHBondContact O-N 3.03Å; G563-V570 VanDerWaalsContact O-N 3.11Å |
| 564 | T | 86.4 | Confident | 88.6 | Confident | 25 Ų | 25 | 38 Ų | 38 | 15% | 0.153 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 142.9 | 179.8 | 67.3 | 0 | 0 | 0 | 0 | 112.4 | L559 T560 A568 | L559-T564 WeakPolarHBondContact CA-O 3.05Å; T560-T564 WeakPolarHBondContact CG2-OG1 3.43Å; T560-T564 PolarHBondContact N-O 2.99Å; T560-T564 PolarHBondContact OG1-N 3.1Å; T560-T564 PolarHBondContact OG1-O 3.27Å; T560-T564 PolarHBondContact OG1-OG1 3.48Å; T564-A568 CarbonylContact C-O 3.1Å; T564-A568 WeakPolarHBondContact CA-O 3.22Å; T564-A568 WeakPolarHBondContact CB-O 3.24Å |
| 565 | S | 86.6 | Confident | 88.6 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 125.9 | 169.9 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | L534 G567 A568 V570 | L534-S565 PolarHBondContact N-OG 3.13Å; L534-S565 VanDerWaalsContact N-OG 3.12Å; S565-G567 PolarHBondContact O-N 2.88Å; S565-G567 VanDerWaalsContact O-N 3.13Å; S565-A568 PolarHBondContact N-O 3.5Å; S565-A568 WeakPolarHBondContact O-CB 3.47Å; S565-A568 PolarHBondContact O-N 3.07Å; S565-V570 VanDerWaalsContact CB-CG2 3.45Å |
| 566 | N | 84 | Confident | 88.5 | Confident | 49 Ų | 49 | 33.3 Ų | 33.3 | 26% | 0.262 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 33.1 | -176.3 | -153.7 | 36 | 0 | 0 | 0 | 113.4 | Q450 G531 P532 L534 A568 | Q450-N566 VanDerWaalsContact CD-OD1 3.25Å; Q450-N566 VanDerWaalsContact CG-C 3.49Å; Q450-N566 WeakPolarHBondContact CG-O 3.24Å; Q450-N566 VanDerWaalsContact NE2-CA 3.33Å; Q450-N566 PolarHBondContact NE2-OD1 3.32Å; Q450-N566 PolarHBondContact OE1-OD1 2.9Å; G531-N566 WeakPolarHBondContact CA-ND2 3.27Å; G531-N566 PolarHBondContact N-O 2.94Å; P532-N566 WeakPolarHBondContact O-CB 3.39Å; P532-N566 PolarHBondContact O-ND2 3.28Å; L534-N566 HydrophobicContact CG-CB 4.34Å; N566-A568 PolarHBondContact O-N 3.43Å |
| 567 | G | 78.3 | Confident | 88.5 | Confident | 14 Ų | 14 | 31.6 Ų | 31.6 | 14% | 0.144 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | -11.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | A530 S565 | A530-G567 VanDerWaalsContact CB-C 3.5Å; A530-G567 WeakPolarHBondContact CB-O 3.14Å; S565-G567 PolarHBondContact O-N 2.88Å; S565-G567 VanDerWaalsContact O-N 3.13Å |
| 568 | A | 86 | Confident | 88.3 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 137 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G531 P533 T564 S565 N566 V570 Q616 | G531-A568 WeakPolarHBondContact O-CB 3.24Å; P533-A568 HydrophobicContact CB-CB 4.34Å; T564-A568 CarbonylContact C-O 3.1Å; T564-A568 WeakPolarHBondContact CA-O 3.22Å; T564-A568 WeakPolarHBondContact CB-O 3.24Å; S565-A568 PolarHBondContact N-O 3.5Å; S565-A568 WeakPolarHBondContact O-CB 3.47Å; S565-A568 PolarHBondContact O-N 3.07Å; N566-A568 PolarHBondContact O-N 3.43Å; A568-V570 PolarHBondContact O-N 3.34Å; A568-V570 VanDerWaalsContact O-N 3.16Å; A568-Q616 HydrophobicContact CB-CB 4.25Å |
| 569 | S | 89.3 | Confident | 88.2 | Confident | 50 Ų | 50 | 36.5 Ų | 36.5 | 35% | 0.35 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 104.3 | 179 | -59 | 0 | 0 | 0 | 0 | 109.7 | I571 S614 T615 | S569-I571 PolarHBondContact O-N 3.37Å; S569-S614 CarbonylContact O-C 3.54Å; S569-S614 WeakPolarHBondContact O-CA 3.49Å; S569-S614 WeakPolarHBondContact O-CB 3.42Å; S569-T615 PolarHBondContact O-N 3.49Å |
| 570 | V | 93.2 | Very high | 88.3 | Confident | 9 Ų | 9 | 39.2 Ų | 39.2 | 6% | 0.055 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 129.8 | -178.9 | 177.8 | 0 | 0 | 0 | 0 | 108.7 | P533 L559 G563 S565 A568 P588 T612 L613 | P533-V570 HydrophobicContact CB-CG2 4.23Å; L559-V570 HydrophobicContact CD2-CB 4.09Å; L559-V570 HydrophobicContact CD2-CG2 3.65Å; G563-V570 PolarHBondContact O-N 3.03Å; G563-V570 VanDerWaalsContact O-N 3.11Å; S565-V570 VanDerWaalsContact CB-CG2 3.45Å; A568-V570 PolarHBondContact O-N 3.34Å; A568-V570 VanDerWaalsContact O-N 3.16Å; V570-P588 HydrophobicContact CB-CB 4.29Å; V570-P588 HydrophobicContact CG1-CB 3.96Å; V570-P588 WeakPolarHBondContact O-CG 3.48Å; V570-T612 HydrophobicContact CB-CG2 4.33Å; V570-T612 HydrophobicContact CG1-CG2 3.58Å; V570-T612 HydrophobicContact CG2-CG2 3.8Å; V570-L613 CarbonylContact C-O 3.53Å; V570-L613 WeakPolarHBondContact CA-O 3.48Å |
| 571 | I | 94.6 | Very high | 88.8 | Confident | 69 Ų | 69 | 42.4 Ų | 42.4 | 35% | 0.354 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | -20 | 177.9 | 62.3 | 174.7 | 0 | 0 | 0 | 112 | S569 L586 Y587 L613 T615 | S569-I571 PolarHBondContact O-N 3.37Å; I571-L586 CarbonylContact O-C 3.51Å; I571-L586 VanDerWaalsContact O-CA 3.29Å; I571-L586 WeakPolarHBondContact O-CA 3.48Å; I571-Y587 PolarHBondContact O-N 2.99Å; I571-L613 HydrophobicContact CD1-CB 4.13Å; I571-L613 HydrophobicContact CG1-CB 3.64Å; I571-L613 WeakPolarHBondContact CG1-O 3.38Å; I571-L613 PolarHBondContact N-O 3.32Å; I571-T615 HydrophobicContact CG2-CG2 3.65Å |
| 572 | G | 95.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.7 | -160.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V585 L613 | G572-V585 CarbonylContact C-O 3.51Å; G572-V585 WeakPolarHBondContact CA-O 3.49Å; G572-L613 PolarHBondContact N-O 2.94Å; G572-L613 PolarHBondContact O-N 2.94Å |
| 573 | Y | 97.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 147.1 | -179.8 | -53.9 | -88.1 | 0 | 0 | 0 | 111.4 | P536 W554 P556 P557 E584 V585 P588 A590 V610 R611 T612 | P536-Y573 HydrophobicContact CB-CD1 4.34Å; P536-Y573 HydrophobicContact CB-CE1 4.2Å; P536-Y573 HydrophobicContact CG-CD1 4.22Å; W554-Y573 AromaticContact CE2-CD2 3.95Å; W554-Y573 AromaticContact CE2-CG 3.79Å; W554-Y573 HydrophobicContact CZ2-CD1 4.49Å; W554-Y573 AromaticContact CZ2-CD2 3.69Å; W554-Y573 HydrophobicContact CZ2-CD2 3.69Å; W554-Y573 AromaticContact CZ2-CG 3.68Å; W554-Y573 HydrophobicContact CZ2-CG 3.68Å; W554-Y573 AromaticContact NE1-CD1 3.68Å; W554-Y573 AromaticContact NE1-CD2 3.67Å; W554-Y573 AromaticContact NE1-CE1 3.79Å; W554-Y573 AromaticContact NE1-CE2 3.78Å; W554-Y573 AromaticContact NE1-CG 3.63Å; W554-Y573 AromaticContact NE1-CZ 3.85Å; P556-Y573 VanDerWaalsContact CB-OH 3.31Å; P556-Y573 WeakPolarHBondContact CB-OH 3.49Å; P557-Y573 WeakPolarHBondContact CD-OH 3.48Å; Y573-E584 CarbonylContact O-C 3.48Å; Y573-E584 WeakPolarHBondContact O-CA 3.47Å; Y573-V585 HydrophobicContact CD2-CG1 4.04Å; Y573-V585 HydrophobicContact CG-CG1 4.43Å; Y573-V585 PolarHBondContact N-O 3.33Å; Y573-V585 PolarHBondContact O-N 3.4Å; Y573-P588 VanDerWaalsContact CE2-O 3.26Å; Y573-P588 WeakPolarHBondContact CE2-O 3.33Å; Y573-P588 PolarHBondContact OH-O 2.93Å; Y573-A590 HydrophobicContact CD2-CB 4.12Å; Y573-A590 HydrophobicContact CE2-CB 4.25Å; Y573-A590 VanDerWaalsContact CE2-O 3.22Å; Y573-A590 WeakPolarHBondContact CE2-O 3.34Å; Y573-V610 HydrophobicContact CD1-CG1 4.42Å; Y573-R611 CarbonylContact C-O 3.47Å; Y573-R611 VanDerWaalsContact CA-O 3.24Å; Y573-R611 WeakPolarHBondContact CA-O 3.43Å; Y573-T612 HydrophobicContact CD1-CG2 4.4Å; Y573-T612 HydrophobicContact CE1-CG2 4.02Å |
| 574 | A | 96.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 129.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110 | K581 A583 V610 R611 L613 | A574-K581 HydrophobicContact CB-CD 3.69Å; A574-K581 HydrophobicContact CB-CG 4.08Å; A574-A583 WeakPolarHBondContact CA-O 3.45Å; A574-V610 CarbonylContact O-C 3.58Å; A574-V610 VanDerWaalsContact O-CA 3.31Å; A574-V610 WeakPolarHBondContact O-CA 3.36Å; A574-R611 PolarHBondContact N-O 3.48Å; A574-R611 PolarHBondContact O-N 3.39Å; A574-L613 HydrophobicContact CB-CD1 4.14Å; A574-L613 HydrophobicContact CB-CD2 3.89Å; A574-L613 HydrophobicContact CB-CG 4.17Å |
| 575 | V | 95.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 126.9 | 171.3 | -175.7 | 0 | 0 | 0 | 0 | 108.3 | V552 W554 I582 A583 V593 V608 I609 V610 | V552-V575 HydrophobicContact CB-CG2 4.41Å; V552-V575 HydrophobicContact CG1-CG1 4.26Å; V552-V575 HydrophobicContact CG1-CG2 4.31Å; V552-V575 HydrophobicContact CG2-CG1 4.2Å; W554-V575 HydrophobicContact CH2-CG2 4.41Å; W554-V575 HydrophobicContact CZ3-CG2 3.99Å; V575-I582 HydrophobicContact CB-CG1 4.18Å; V575-I582 HydrophobicContact CG1-CD1 3.96Å; V575-I582 HydrophobicContact CG1-CG1 3.88Å; V575-I582 VanDerWaalsContact O-CG1 3.3Å; V575-I582 WeakPolarHBondContact O-CG1 3.48Å; V575-I582 PolarHBondContact O-N 3.11Å; V575-A583 HydrophobicContact CB-CB 4.21Å; V575-A583 HydrophobicContact CG2-CB 4.43Å; V575-A583 PolarHBondContact N-O 3.38Å; V575-A583 PolarHBondContact O-N 2.97Å; V575-V593 HydrophobicContact CB-CG1 4.46Å; V575-V593 HydrophobicContact CG2-CG1 3.38Å; V575-V608 HydrophobicContact CG1-CB 4.18Å; V575-V608 HydrophobicContact CG1-CG1 4.45Å; V575-I609 WeakPolarHBondContact CA-O 3.42Å; V575-V610 HydrophobicContact CG2-CG1 4.47Å; V575-V610 HydrophobicContact CG2-CG2 4.15Å |
| 576 | C | 94.1 | Very high | 91.7 | Very high | 7 Ų | 7 | 41.4 Ų | 41.4 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 149.9 | -177.7 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | Q580 V608 I609 | C576-Q580 CarbonylContact C-O 3.58Å; C576-Q580 WeakPolarHBondContact CA-O 3.25Å; C576-Q580 WeakPolarHBondContact CB-O 3.3Å; C576-V608 WeakPolarHBondContact O-CA 3.42Å; C576-I609 HydrophobicContact CB-CD1 4.04Å; C576-I609 HydrophobicContact CB-CG1 3.87Å; C576-I609 PolarHBondContact N-O 3.06Å; C576-I609 VanDerWaalsContact O-CG1 3.32Å; C576-I609 WeakPolarHBondContact O-CG1 3.46Å; C576-I609 PolarHBondContact O-N 3.01Å |
| 577 | T | 92.6 | Very high | 92.1 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 143.7 | 168.6 | -171.3 | 0 | 0 | 0 | 0 | 109.5 | G579 Q580 I582 L603 A605 E607 | T577-G579 PolarHBondContact O-N 2.88Å; T577-Q580 PolarHBondContact N-O 3.15Å; T577-Q580 PolarHBondContact O-N 3.06Å; T577-I582 HydrophobicContact CG2-CD1 3.93Å; T577-I582 HydrophobicContact CG2-CG2 3.69Å; T577-L603 HydrophobicContact CG2-CD1 3.82Å; T577-A605 HydrophobicContact CG2-CB 3.65Å; T577-A605 WeakPolarHBondContact OG1-CB 3.4Å; T577-E607 VanDerWaalsContact CB-O 3.3Å; T577-E607 WeakPolarHBondContact CB-O 3.41Å; T577-E607 PolarHBondContact OG1-O 3.08Å |
| 578 | K | 87.9 | Confident | 92.7 | Very high | 126 Ų | 126 | 46.9 Ų | 46.9 | 55% | 0.548 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 34.5 | -178.1 | -59.8 | -59 | -175.7 | -160.7 | 0 | 114 | Q580 E607 | K578-Q580 VanDerWaalsContact C-N 3.29Å; K578-Q580 PolarHBondContact O-N 3.21Å; K578-E607 IonicContact NZ-OE1 3.14Å; K578-E607 PolarHBondContact NZ-OE1 3.42Å |
| 579 | G | 84 | Confident | 93 | Very high | 74 Ų | 74 | 50.5 Ų | 50.5 | 76% | 0.763 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | 4.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.7 | T577 | T577-G579 PolarHBondContact O-N 2.88Š|
| 580 | Q | 89.8 | Confident | 93.3 | Very high | 108 Ų | 108 | 48.6 Ų | 48.6 | 51% | 0.505 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 139.7 | 177.9 | -63.9 | -168.8 | -10.3 | 0 | 0 | 112.1 | C576 T577 K578 I582 L603 | C576-Q580 CarbonylContact C-O 3.58Å; C576-Q580 WeakPolarHBondContact CA-O 3.25Å; C576-Q580 WeakPolarHBondContact CB-O 3.3Å; T577-Q580 PolarHBondContact N-O 3.15Å; T577-Q580 PolarHBondContact O-N 3.06Å; K578-Q580 VanDerWaalsContact C-N 3.29Å; K578-Q580 PolarHBondContact O-N 3.21Å; Q580-I582 PolarHBondContact O-N 3.36Å; Q580-L603 VanDerWaalsContact OE1-CD2 3.24Å |
| 581 | K | 92.6 | Very high | 93.4 | Very high | 101 Ų | 101 | 50.8 Ų | 50.8 | 44% | 0.439 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 113.1 | 173.6 | -170.4 | 170.8 | 80.2 | 175.8 | 0 | 110.3 | A574 E584 | A574-K581 HydrophobicContact CB-CD 3.69Å; A574-K581 HydrophobicContact CB-CG 4.08Å; K581-E584 HydrophobicContact CD-CB 4.34Å; K581-E584 WeakPolarHBondContact CE-OE2 3.36Å; K581-E584 IonicContact NZ-OE1 3.33Å; K581-E584 PolarHBondContact NZ-OE1 3.01Å; K581-E584 IonicContact NZ-OE2 3.73Å; K581-E584 PolarHBondContact NZ-OE2 3.41Å |
| 582 | I | 93.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -24.5 | -178.2 | 60.5 | 176.3 | 0 | 0 | 0 | 112.9 | V575 T577 Q580 V595 R599 I600 L603 V608 | V575-I582 HydrophobicContact CB-CG1 4.18Å; V575-I582 HydrophobicContact CG1-CD1 3.96Å; V575-I582 HydrophobicContact CG1-CG1 3.88Å; V575-I582 VanDerWaalsContact O-CG1 3.3Å; V575-I582 WeakPolarHBondContact O-CG1 3.48Å; V575-I582 PolarHBondContact O-N 3.11Å; T577-I582 HydrophobicContact CG2-CD1 3.93Å; T577-I582 HydrophobicContact CG2-CG2 3.69Å; Q580-I582 PolarHBondContact O-N 3.36Å; I582-V595 HydrophobicContact CB-CG1 4.42Å; I582-V595 HydrophobicContact CD1-CG1 3.96Å; I582-V595 HydrophobicContact CG1-CG1 4.24Å; I582-R599 PolarHBondContact O-NH1 3.2Å; I582-R599 PolarHBondContact O-NH2 2.98Å; I582-I600 HydrophobicContact CD1-CD1 4.39Å; I582-I600 HydrophobicContact CD1-CG1 4.12Å; I582-L603 HydrophobicContact CG2-CD1 3.74Å; I582-V608 HydrophobicContact CD1-CG1 4.16Å |
| 583 | A | 93.9 | Very high | 93.4 | Very high | 14 Ų | 14 | 52.8 Ų | 52.8 | 12% | 0.116 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 159.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A574 V575 V593 V595 | A574-A583 WeakPolarHBondContact CA-O 3.45Å; V575-A583 HydrophobicContact CB-CB 4.21Å; V575-A583 HydrophobicContact CG2-CB 4.43Å; V575-A583 PolarHBondContact N-O 3.38Å; V575-A583 PolarHBondContact O-N 2.97Å; A583-V593 HydrophobicContact CB-CG1 3.93Å; A583-V593 HydrophobicContact CB-CG2 4.11Å; A583-V595 HydrophobicContact CB-CG2 3.83Å |
| 584 | E | 95.4 | Very high | 93.2 | Very high | 89 Ų | 89 | 56 Ų | 56 | 42% | 0.416 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 138.8 | 178.9 | 177.5 | 167.7 | -128.4 | 0 | 0 | 109.1 | Y573 K581 L586 L613 | Y573-E584 CarbonylContact O-C 3.48Å; Y573-E584 WeakPolarHBondContact O-CA 3.47Å; K581-E584 HydrophobicContact CD-CB 4.34Å; K581-E584 WeakPolarHBondContact CE-OE2 3.36Å; K581-E584 IonicContact NZ-OE1 3.33Å; K581-E584 PolarHBondContact NZ-OE1 3.01Å; K581-E584 IonicContact NZ-OE2 3.73Å; K581-E584 PolarHBondContact NZ-OE2 3.41Å; E584-L586 HydrophobicContact CG-CD2 4.08Å; E584-L586 HydrophobicContact CG-CG 4.39Å; E584-L613 HydrophobicContact CG-CD1 3.98Å; E584-L613 VanDerWaalsContact OE1-CD1 3.23Å; E584-L613 WeakPolarHBondContact OE1-CD1 3.46Å |
| 585 | V | 96.1 | Very high | 93 | Very high | 30 Ų | 30 | 56.2 Ų | 56.2 | 18% | 0.182 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 115.8 | 176.5 | 56.3 | 0 | 0 | 0 | 0 | 108.7 | W554 G572 Y573 Y587 A590 V593 | W554-V585 HydrophobicContact CH2-CG1 3.87Å; W554-V585 HydrophobicContact CZ2-CG1 3.77Å; G572-V585 CarbonylContact C-O 3.51Å; G572-V585 WeakPolarHBondContact CA-O 3.49Å; Y573-V585 HydrophobicContact CD2-CG1 4.04Å; Y573-V585 HydrophobicContact CG-CG1 4.43Å; Y573-V585 PolarHBondContact N-O 3.33Å; Y573-V585 PolarHBondContact O-N 3.4Å; V585-Y587 PolarHBondContact O-N 2.93Å; V585-Y587 VanDerWaalsContact O-N 3.16Å; V585-A590 HydrophobicContact CB-CB 4.47Å; V585-A590 HydrophobicContact CG1-CB 3.96Å; V585-A590 HydrophobicContact CG2-CB 3.64Å; V585-V593 HydrophobicContact CB-CG2 4.45Å |
| 586 | L | 94.9 | Very high | 92.7 | Very high | 121 Ų | 121 | 59.4 Ų | 59.4 | 63% | 0.634 | 32% | 0.32 | S | S | * | . | trans | -91.2 | 57.3 | -179.4 | -60.7 | 179.2 | 0 | 0 | 0 | 111 | I571 E584 L613 | I571-L586 CarbonylContact O-C 3.51Å; I571-L586 VanDerWaalsContact O-CA 3.29Å; I571-L586 WeakPolarHBondContact O-CA 3.48Å; E584-L586 HydrophobicContact CG-CD2 4.08Å; E584-L586 HydrophobicContact CG-CG 4.39Å; L586-L613 HydrophobicContact CD2-CD1 4.32Å | ||
| 587 | Y | 93.4 | Very high | 92.3 | Very high | 140 Ų | 140 | 60 Ų | 60 | 55% | 0.549 | 32% | 0.323 | S | S | . | . | trans | -140.8 | 113.7 | 177.2 | -173.5 | -118.6 | 0 | 0 | 0 | 109.3 | I571 V585 T589 A590 | I571-Y587 PolarHBondContact O-N 2.99Å; V585-Y587 PolarHBondContact O-N 2.93Å; V585-Y587 VanDerWaalsContact O-N 3.16Å; Y587-T589 WeakPolarHBondContact CE1-OG1 3.4Å; Y587-T589 PolarHBondContact O-N 3.33Å; Y587-T589 VanDerWaalsContact O-N 3.14Å; Y587-T589 PolarHBondContact OH-OG1 3.38Å; Y587-A590 HydrophobicContact CD1-CB 3.98Å; Y587-A590 WeakPolarHBondContact O-CB 3.41Å; Y587-A590 PolarHBondContact O-N 3.08Å; Y587-A590 VanDerWaalsContact O-N 3.07Å | ||
| 588 | P | 91.5 | Very high | 91.9 | Very high | 38 Ų | 38 | 65 Ų | 65 | 25% | 0.247 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -26 | -169.6 | -27 | 35.8 | 0 | 0 | 0 | 114.9 | L559 V570 Y573 | L559-P588 HydrophobicContact CD1-CB 4.23Å; L559-P588 WeakPolarHBondContact CD1-O 3.45Å; V570-P588 HydrophobicContact CB-CB 4.29Å; V570-P588 HydrophobicContact CG1-CB 3.96Å; V570-P588 WeakPolarHBondContact O-CG 3.48Å; Y573-P588 VanDerWaalsContact CE2-O 3.26Å; Y573-P588 WeakPolarHBondContact CE2-O 3.33Å; Y573-P588 PolarHBondContact OH-O 2.93Å |
| 589 | T | 92.3 | Very high | 91.7 | Very high | 75 Ų | 75 | 65.2 Ų | 65.2 | 46% | 0.46 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 9.1 | -179.8 | 49.6 | 0 | 0 | 0 | 0 | 113.1 | L559 Y587 D591 | L559-T589 HydrophobicContact CD1-CG2 4.17Å; Y587-T589 WeakPolarHBondContact CE1-OG1 3.4Å; Y587-T589 PolarHBondContact O-N 3.33Å; Y587-T589 VanDerWaalsContact O-N 3.14Å; Y587-T589 PolarHBondContact OH-OG1 3.38Å; T589-D591 PolarHBondContact O-N 2.94Å |
| 590 | A | 94.3 | Very high | 91.8 | Very high | 10 Ų | 10 | 61.8 Ų | 61.8 | 8% | 0.083 | 31% | 0.31 | C | S | . | . | trans | -60.2 | 132.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | W554 Y573 V585 Y587 | W554-A590 HydrophobicContact CZ2-CB 4.33Å; W554-A590 PolarHBondContact NE1-O 3.44Å; Y573-A590 HydrophobicContact CD2-CB 4.12Å; Y573-A590 HydrophobicContact CE2-CB 4.25Å; Y573-A590 VanDerWaalsContact CE2-O 3.22Å; Y573-A590 WeakPolarHBondContact CE2-O 3.34Å; V585-A590 HydrophobicContact CB-CB 4.47Å; V585-A590 HydrophobicContact CG1-CB 3.96Å; V585-A590 HydrophobicContact CG2-CB 3.64Å; Y587-A590 HydrophobicContact CD1-CB 3.98Å; Y587-A590 WeakPolarHBondContact O-CB 3.41Å; Y587-A590 PolarHBondContact O-N 3.08Å; Y587-A590 VanDerWaalsContact O-N 3.07Å | ||
| 591 | D | 94.8 | Very high | 91.5 | Very high | 56 Ų | 56 | 60.6 Ų | 60.6 | 30% | 0.299 | 31% | 0.305 | S | S | . | . | trans | -110.8 | -1.3 | 177.6 | 68.5 | -33.5 | 0 | 0 | 0 | 112.5 | R553 W554 P556 T589 | R553-D591 CarbonylContact C-O 3.6Å; R553-D591 VanDerWaalsContact CA-O 3.3Å; R553-D591 WeakPolarHBondContact CA-O 3.45Å; R553-D591 VanDerWaalsContact CG-O 3.28Å; R553-D591 WeakPolarHBondContact CG-O 3.38Å; R553-D591 IonicContact CZ-OD2 2.81Å; R553-D591 IonicContact NH1-OD2 2.67Å; R553-D591 PolarHBondContact NH1-OD2 3Å; W554-D591 PolarHBondContact N-O 3.04Å; W554-D591 WeakPolarHBondContact O-CA 3.47Å; W554-D591 WeakPolarHBondContact O-CB 3.26Å; W554-D591 VanDerWaalsContact O-O 3.06Å; P556-D591 HydrophobicContact CG-CB 4.47Å; T589-D591 PolarHBondContact O-N 2.94Å | ||
| 592 | F | 94.8 | Very high | 91.1 | Very high | 89 Ų | 89 | 59 Ų | 59 | 39% | 0.39 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 164.4 | 171.6 | 73 | -87.4 | 0 | 0 | 0 | 113.5 | Q551 V552 R553 W554 | Q551-F592 HydrophobicContact CG-CB 4.1Å; Q551-F592 HydrophobicContact CG-CD2 3.88Å; Q551-F592 HydrophobicContact CG-CG 4.27Å; V552-F592 CarbonylContact O-C 3.54Å; V552-F592 WeakPolarHBondContact O-CA 3.42Å; V552-F592 WeakPolarHBondContact O-CB 3.44Å; R553-F592 HydrophobicContact CB-CB 4.18Å; R553-F592 HydrophobicContact CG-CB 4.21Å; W554-F592 VanDerWaalsContact CH2-C 3.4Å |
| 593 | V | 95.3 | Very high | 90.6 | Very high | 22 Ų | 22 | 61.4 Ų | 61.4 | 13% | 0.133 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 149.3 | 163.3 | 74.3 | 0 | 0 | 0 | 0 | 110.8 | V552 W554 V575 A583 V585 V595 | V552-V593 HydrophobicContact CB-CG1 4.48Å; V552-V593 PolarHBondContact N-O 2.87Å; V552-V593 PolarHBondContact O-N 3Å; W554-V593 HydrophobicContact CH2-CB 3.84Å; W554-V593 HydrophobicContact CH2-CG1 3.84Å; W554-V593 HydrophobicContact CZ3-CB 4.21Å; W554-V593 HydrophobicContact CZ3-CG1 3.83Å; V575-V593 HydrophobicContact CB-CG1 4.46Å; V575-V593 HydrophobicContact CG2-CG1 3.38Å; A583-V593 HydrophobicContact CB-CG1 3.93Å; A583-V593 HydrophobicContact CB-CG2 4.11Å; V585-V593 HydrophobicContact CB-CG2 4.45Å; V593-V595 HydrophobicContact CG1-CG2 4.1Å |
| 594 | S | 93.4 | Very high | 90.2 | Very high | 69 Ų | 69 | 68.7 Ų | 68.7 | 48% | 0.483 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 132.6 | 173.7 | -66.1 | 0 | 0 | 0 | 0 | 110.7 | L550 | L550-S594 CarbonylContact O-C 3.54Å; L550-S594 WeakPolarHBondContact O-CA 3.37Å |
| 595 | V | 92.1 | Very high | 89.7 | Confident | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.018 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 131.5 | -179.6 | -169.7 | 0 | 0 | 0 | 0 | 109.5 | L550 V552 I582 A583 V593 I600 | L550-V595 PolarHBondContact N-O 3.38Å; L550-V595 PolarHBondContact O-N 2.96Å; V552-V595 HydrophobicContact CG2-CG2 3.97Å; I582-V595 HydrophobicContact CB-CG1 4.42Å; I582-V595 HydrophobicContact CD1-CG1 3.96Å; I582-V595 HydrophobicContact CG1-CG1 4.24Å; A583-V595 HydrophobicContact CB-CG2 3.83Å; V593-V595 HydrophobicContact CG1-CG2 4.1Å; V595-I600 HydrophobicContact CB-CD1 4.14Å; V595-I600 HydrophobicContact CG1-CD1 3.73Å; V595-I600 HydrophobicContact CG1-CG1 4.04Å |
| 596 | D | 88.9 | Confident | 89.3 | Confident | 68 Ų | 68 | 69.9 Ų | 69.9 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 131 | 177.4 | -171.7 | -73.4 | 0 | 0 | 0 | 111.5 | N598 R599 | D596-N598 VanDerWaalsContact C-N 3.29Å; D596-N598 PolarHBondContact O-N 3.5Å; D596-N598 WeakPolarHBondContact OD1-CA 3.32Å; D596-N598 WeakPolarHBondContact OD1-CB 3.1Å; D596-N598 PolarHBondContact OD1-N 3.08Å; D596-N598 PolarHBondContact OD1-ND2 3.34Å; D596-R599 HydrophobicContact CB-CG 4.23Å; D596-R599 PolarHBondContact O-N 3.11Å |
| 597 | L | 86.1 | Confident | 89.2 | Confident | 21 Ų | 21 | 67.3 Ų | 67.3 | 11% | 0.11 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.6 | -34.1 | -178.8 | -92.1 | 158.9 | 0 | 0 | 0 | 112.8 | G548 L550 R599 I600 Q601 L631 | G548-L597 WeakPolarHBondContact O-CB 3.42Å; G548-L597 PolarHBondContact O-N 3.28Å; L550-L597 HydrophobicContact CD1-CD2 3.42Å; L550-L597 VanDerWaalsContact CD1-CD2 3.42Å; L550-L597 HydrophobicContact CD1-CG 4.04Å; L550-L597 HydrophobicContact CD2-CD2 4.33Å; L550-L597 HydrophobicContact CG-CD1 4.35Å; L550-L597 HydrophobicContact CG-CD2 3.62Å; L550-L597 HydrophobicContact CG-CG 3.77Å; L597-R599 VanDerWaalsContact C-N 3.28Å; L597-R599 PolarHBondContact O-N 3.39Å; L597-I600 PolarHBondContact O-N 3Å; L597-Q601 WeakPolarHBondContact O-CB 3.37Å; L597-Q601 WeakPolarHBondContact O-CG 3.2Å; L597-Q601 PolarHBondContact O-N 3.37Å; L597-L631 VanDerWaalsContact CD2-O 3.3Å; L597-L631 WeakPolarHBondContact CD2-O 3.49Å |
| 598 | N | 85.7 | Confident | 89.2 | Confident | 106 Ų | 106 | 60.7 Ų | 60.7 | 57% | 0.567 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -66.2 | -33.7 | -179.1 | -54.7 | -62.5 | 0 | 0 | 0 | 111.2 | D596 I600 G602 | D596-N598 VanDerWaalsContact C-N 3.29Å; D596-N598 PolarHBondContact O-N 3.5Å; D596-N598 WeakPolarHBondContact OD1-CA 3.32Å; D596-N598 WeakPolarHBondContact OD1-CB 3.1Å; D596-N598 PolarHBondContact OD1-N 3.08Å; D596-N598 PolarHBondContact OD1-ND2 3.34Å; N598-I600 VanDerWaalsContact C-N 3.31Å; N598-I600 PolarHBondContact O-N 3.48Å; N598-G602 PolarHBondContact O-N 3.39Å |
| 599 | R | 83.5 | Confident | 89.4 | Confident | 132 Ų | 132 | 59.9 Ų | 59.9 | 50% | 0.498 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.9 | -32.5 | 176.3 | -66 | -177.7 | 67.9 | -164.3 | -4.3 | 112.2 | I582 D596 L597 L603 | I582-R599 PolarHBondContact O-NH1 3.2Å; I582-R599 PolarHBondContact O-NH2 2.98Å; D596-R599 HydrophobicContact CB-CG 4.23Å; D596-R599 PolarHBondContact O-N 3.11Å; L597-R599 VanDerWaalsContact C-N 3.28Å; L597-R599 PolarHBondContact O-N 3.39Å; R599-L603 WeakPolarHBondContact O-CD1 3.49Å; R599-L603 WeakPolarHBondContact O-CG 3.41Å |
| 600 | I | 85.4 | Confident | 89.7 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -78 | -44.8 | 177.1 | -68.1 | 172 | 0 | 0 | 0 | 110.3 | L550 I582 V595 L597 N598 G602 L603 E604 A605 I627 L632 | L550-I600 HydrophobicContact CB-CD1 4.37Å; L550-I600 HydrophobicContact CD1-CD1 3.49Å; L550-I600 VanDerWaalsContact CD1-CD1 3.49Å; I582-I600 HydrophobicContact CD1-CD1 4.39Å; I582-I600 HydrophobicContact CD1-CG1 4.12Å; V595-I600 HydrophobicContact CB-CD1 4.14Å; V595-I600 HydrophobicContact CG1-CD1 3.73Å; V595-I600 HydrophobicContact CG1-CG1 4.04Å; L597-I600 PolarHBondContact O-N 3Å; N598-I600 VanDerWaalsContact C-N 3.31Å; N598-I600 PolarHBondContact O-N 3.48Å; I600-G602 PolarHBondContact O-N 2.94Å; I600-L603 PolarHBondContact O-N 3.5Å; I600-E604 PolarHBondContact O-N 2.98Å; I600-A605 HydrophobicContact CG2-CB 4Å; I600-A605 PolarHBondContact O-N 3.06Å; I600-I627 HydrophobicContact CD1-CD1 4.49Å; I600-I627 HydrophobicContact CG2-CD1 3.47Å; I600-I627 VanDerWaalsContact CG2-CD1 3.47Å; I600-L632 HydrophobicContact CG2-CD2 3.77Å |
| 601 | Q | 84.1 | Confident | 89.8 | Confident | 84 Ų | 84 | 58.9 Ų | 58.9 | 39% | 0.393 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 176.5 | -74.8 | 175.3 | -10.2 | 0 | 0 | 112.1 | L597 L603 E604 L632 | L597-Q601 WeakPolarHBondContact O-CB 3.37Å; L597-Q601 WeakPolarHBondContact O-CG 3.2Å; L597-Q601 PolarHBondContact O-N 3.37Å; Q601-L603 PolarHBondContact O-N 3.47Å; Q601-E604 PolarHBondContact O-N 3.33Å; Q601-L632 HydrophobicContact CG-CD2 4.27Å; Q601-L632 PolarHBondContact NE2-O 2.98Å |
| 602 | G | 82.6 | Confident | 89.8 | Confident | 66 Ų | 66 | 56.2 Ų | 56.2 | 68% | 0.68 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -17.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | N598 I600 | N598-G602 PolarHBondContact O-N 3.39Å; I600-G602 PolarHBondContact O-N 2.94Å |
| 603 | L | 84.5 | Confident | 89.8 | Confident | 55 Ų | 55 | 52.4 Ų | 52.4 | 29% | 0.288 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 2 | 175.4 | -64.3 | 175.7 | 0 | 0 | 0 | 113 | T577 Q580 I582 R599 I600 Q601 A605 | T577-L603 HydrophobicContact CG2-CD1 3.82Å; Q580-L603 VanDerWaalsContact OE1-CD2 3.24Å; I582-L603 HydrophobicContact CG2-CD1 3.74Å; R599-L603 WeakPolarHBondContact O-CD1 3.49Å; R599-L603 WeakPolarHBondContact O-CG 3.41Å; I600-L603 PolarHBondContact O-N 3.5Å; Q601-L603 PolarHBondContact O-N 3.47Å; L603-A605 HydrophobicContact CB-CB 4.25Å; L603-A605 PolarHBondContact O-N 3.3Å |
| 604 | E | 85.3 | Confident | 89.7 | Confident | 167 Ų | 167 | 51.8 Ų | 51.8 | 78% | 0.78 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 32 | -171.7 | -59.2 | -173.9 | 171 | 0 | 0 | 112.7 | I600 Q601 | I600-E604 PolarHBondContact O-N 2.98Å; Q601-E604 PolarHBondContact O-N 3.33Å |
| 605 | A | 84.9 | Confident | 89.3 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | trans | -73.9 | 134.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | T577 I600 L603 I627 | T577-A605 HydrophobicContact CG2-CB 3.65Å; T577-A605 WeakPolarHBondContact OG1-CB 3.4Å; I600-A605 HydrophobicContact CG2-CB 4Å; I600-A605 PolarHBondContact O-N 3.06Å; L603-A605 HydrophobicContact CB-CB 4.25Å; L603-A605 PolarHBondContact O-N 3.3Å; A605-I627 HydrophobicContact CB-CD1 4.48Å | ||
| 606 | R | 87.8 | Confident | 88.9 | Confident | 143 Ų | 143 | 57.7 Ų | 57.7 | 54% | 0.54 | 29% | 0.289 | S | S | . | . | trans | -115.7 | -1.4 | 176.5 | -64.7 | -176.2 | -179.2 | -95.1 | -5.3 | 113.4 | I627 H629 | R606-I627 PolarHBondContact O-N 3.34Å; R606-H629 PolarHBondContact NH1-CE1 3.3Å; R606-H629 VanDerWaalsContact NH1-CE1 3.34Å; R606-H629 PolarHBondContact NH1-ND1 3.36Å | ||
| 607 | E | 91.8 | Very high | 88.9 | Confident | 67 Ų | 67 | 56 Ų | 56 | 31% | 0.313 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 148.8 | -169.8 | 71.1 | -162 | 147.9 | 0 | 0 | 109.6 | T577 K578 V624 A625 M626 | T577-E607 VanDerWaalsContact CB-O 3.3Å; T577-E607 WeakPolarHBondContact CB-O 3.41Å; T577-E607 PolarHBondContact OG1-O 3.08Å; K578-E607 IonicContact NZ-OE1 3.14Å; K578-E607 PolarHBondContact NZ-OE1 3.42Å; E607-V624 HydrophobicContact CB-CG1 3.59Å; E607-V624 HydrophobicContact CG-CG1 4.22Å; E607-A625 CarbonylContact C-O 3.57Å; E607-A625 WeakPolarHBondContact CA-O 3.37Å; E607-M626 HydrophobicContact CB-SD 4.36Å |
| 608 | V | 94.7 | Very high | 89.2 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 150.9 | 172.1 | -60.8 | 0 | 0 | 0 | 0 | 110.1 | V541 V552 V575 C576 I582 A625 I627 | V541-V608 HydrophobicContact CG2-CG2 3.4Å; V541-V608 VanDerWaalsContact CG2-CG2 3.4Å; V552-V608 HydrophobicContact CG1-CG2 4.09Å; V552-V608 HydrophobicContact CG2-CG2 4.33Å; V575-V608 HydrophobicContact CG1-CB 4.18Å; V575-V608 HydrophobicContact CG1-CG1 4.45Å; C576-V608 WeakPolarHBondContact O-CA 3.42Å; I582-V608 HydrophobicContact CD1-CG1 4.16Å; V608-A625 HydrophobicContact CG2-CB 3.93Å; V608-A625 PolarHBondContact N-O 2.93Å; V608-A625 PolarHBondContact O-N 2.96Å; V608-I627 HydrophobicContact CG1-CD1 3.85Å; V608-I627 HydrophobicContact CG1-CG1 4.12Å |
| 609 | I | 95.9 | Very high | 89.6 | Confident | 21 Ų | 21 | 54.7 Ų | 54.7 | 11% | 0.108 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 158.2 | 170.2 | 53.4 | 158.8 | 0 | 0 | 0 | 108.6 | V575 C576 D621 V624 | V575-I609 WeakPolarHBondContact CA-O 3.42Å; C576-I609 HydrophobicContact CB-CD1 4.04Å; C576-I609 HydrophobicContact CB-CG1 3.87Å; C576-I609 PolarHBondContact N-O 3.06Å; C576-I609 VanDerWaalsContact O-CG1 3.32Å; C576-I609 WeakPolarHBondContact O-CG1 3.46Å; C576-I609 PolarHBondContact O-N 3.01Å; I609-D621 HydrophobicContact CD1-CB 3.86Å; I609-D621 VanDerWaalsContact CD1-OD1 3.28Å; I609-D621 WeakPolarHBondContact CD1-OD1 3.46Å; I609-D621 WeakPolarHBondContact CD1-OD2 3.34Å; I609-D621 HydrophobicContact CG2-CB 4.49Å; I609-V624 HydrophobicContact CG2-CB 4.37Å; I609-V624 HydrophobicContact CG2-CG2 3.79Å |
| 610 | V | 96.9 | Very high | 90 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 136.1 | 175.7 | -169.7 | 0 | 0 | 0 | 0 | 108.7 | P536 V539 V552 W554 Y573 A574 V575 S622 | P536-V610 HydrophobicContact CG-CB 3.68Å; P536-V610 HydrophobicContact CG-CG1 3.63Å; V539-V610 HydrophobicContact CG1-CG2 3.61Å; V539-V610 HydrophobicContact CG2-CB 4.29Å; V539-V610 HydrophobicContact CG2-CG2 4.07Å; V552-V610 HydrophobicContact CG1-CG2 3.95Å; W554-V610 HydrophobicContact CD2-CG1 4.05Å; W554-V610 HydrophobicContact CD2-CG2 4.5Å; W554-V610 HydrophobicContact CE3-CG1 4.07Å; W554-V610 HydrophobicContact CE3-CG2 3.94Å; W554-V610 HydrophobicContact CZ3-CG1 4.32Å; W554-V610 HydrophobicContact CZ3-CG2 4.4Å; Y573-V610 HydrophobicContact CD1-CG1 4.42Å; A574-V610 CarbonylContact O-C 3.58Å; A574-V610 VanDerWaalsContact O-CA 3.31Å; A574-V610 WeakPolarHBondContact O-CA 3.36Å; V575-V610 HydrophobicContact CG2-CG1 4.47Å; V575-V610 HydrophobicContact CG2-CG2 4.15Å; V610-S622 PolarHBondContact N-OG 2.93Å; V610-S622 WeakPolarHBondContact O-CB 3.45Å; V610-S622 PolarHBondContact O-N 3.37Å; V610-S622 VanDerWaalsContact O-N 3.15Å; V610-S622 PolarHBondContact O-OG 3.45Å |
| 611 | R | 96.6 | Very high | 90.4 | Very high | 64 Ų | 64 | 58.9 Ų | 58.9 | 24% | 0.242 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 140.5 | 173.2 | -64.3 | -179.9 | -176.4 | 169.8 | -2.4 | 109.8 | Y573 A574 E618 S619 D621 | Y573-R611 CarbonylContact C-O 3.47Å; Y573-R611 VanDerWaalsContact CA-O 3.24Å; Y573-R611 WeakPolarHBondContact CA-O 3.43Å; A574-R611 PolarHBondContact N-O 3.48Å; A574-R611 PolarHBondContact O-N 3.39Å; R611-E618 VanDerWaalsContact CD-OE2 3.23Å; R611-E618 WeakPolarHBondContact CD-OE2 3.42Å; R611-E618 IonicContact CZ-OE2 2.82Å; R611-E618 IonicContact NE-OE2 3.17Å; R611-E618 IonicContact NH1-OE2 3.75Å; R611-E618 PolarHBondContact NH1-OE2 3.27Å; R611-S619 WeakPolarHBondContact CA-OG 3.43Å; R611-D621 IonicContact CZ-OD1 2.65Å; R611-D621 IonicContact NE-OD1 3.02Å; R611-D621 PolarHBondContact NE-OD1 3.38Å; R611-D621 IonicContact NH2-OD1 3.13Å; R611-D621 PolarHBondContact NH2-OD1 3.3Å; R611-D621 IonicContact NH2-OD2 2.69Å |
| 612 | T | 96.2 | Very high | 91 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 132.1 | 167.4 | -51.6 | 0 | 0 | 0 | 0 | 108.8 | P533 L534 P536 P557 V570 Y573 E618 S619 | P533-T612 HydrophobicContact CB-CG2 3.74Å; P533-T612 HydrophobicContact CG-CG2 4.1Å; L534-T612 WeakPolarHBondContact O-CB 3.39Å; L534-T612 PolarHBondContact O-OG1 3.3Å; P536-T612 WeakPolarHBondContact CD-OG1 3.33Å; P557-T612 HydrophobicContact CG-CG2 4.24Å; V570-T612 HydrophobicContact CB-CG2 4.33Å; V570-T612 HydrophobicContact CG1-CG2 3.58Å; V570-T612 HydrophobicContact CG2-CG2 3.8Å; Y573-T612 HydrophobicContact CD1-CG2 4.4Å; Y573-T612 HydrophobicContact CE1-CG2 4.02Å; T612-E618 CarbonylContact O-C 3.59Å; T612-E618 WeakPolarHBondContact O-CA 3.32Å; T612-S619 PolarHBondContact N-OG 3.02Å; T612-S619 PolarHBondContact O-N 2.95Å |
| 613 | L | 94.3 | Very high | 91.5 | Very high | 9 Ų | 9 | 56.2 Ų | 56.2 | 5% | 0.047 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 137.4 | 176.4 | -56.9 | 176.9 | 0 | 0 | 0 | 109.2 | V570 I571 G572 A574 E584 L586 E618 | V570-L613 CarbonylContact C-O 3.53Å; V570-L613 WeakPolarHBondContact CA-O 3.48Å; I571-L613 HydrophobicContact CD1-CB 4.13Å; I571-L613 HydrophobicContact CG1-CB 3.64Å; I571-L613 WeakPolarHBondContact CG1-O 3.38Å; I571-L613 PolarHBondContact N-O 3.32Å; G572-L613 PolarHBondContact N-O 2.94Å; G572-L613 PolarHBondContact O-N 2.94Å; A574-L613 HydrophobicContact CB-CD1 4.14Å; A574-L613 HydrophobicContact CB-CD2 3.89Å; A574-L613 HydrophobicContact CB-CG 4.17Å; E584-L613 HydrophobicContact CG-CD1 3.98Å; E584-L613 VanDerWaalsContact OE1-CD1 3.23Å; E584-L613 WeakPolarHBondContact OE1-CD1 3.46Å; L586-L613 HydrophobicContact CD2-CD1 4.32Å; L613-E618 HydrophobicContact CD2-CG 3.76Å |
| 614 | S | 92.8 | Very high | 91.8 | Very high | 10 Ų | 10 | 57.5 Ų | 57.5 | 7% | 0.07 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 167.8 | 172.1 | 72.7 | 0 | 0 | 0 | 0 | 111.7 | P533 S569 Q616 G617 | P533-S614 WeakPolarHBondContact CD-OG 3.14Å; S569-S614 CarbonylContact O-C 3.54Å; S569-S614 WeakPolarHBondContact O-CA 3.49Å; S569-S614 WeakPolarHBondContact O-CB 3.42Å; S614-Q616 PolarHBondContact O-N 3.49Å; S614-Q616 PolarHBondContact OG-N 3.01Å; S614-G617 WeakPolarHBondContact CB-O 3.37Å; S614-G617 PolarHBondContact N-O 3.16Å; S614-G617 PolarHBondContact O-N 2.99Å; S614-G617 PolarHBondContact OG-N 3.43Å; S614-G617 VanDerWaalsContact OG-N 3.11Å; S614-G617 PolarHBondContact OG-O 3.48Å |
| 615 | T | 85.4 | Confident | 92.2 | Very high | 92 Ų | 92 | 49.9 Ų | 49.9 | 56% | 0.564 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -15.5 | 172.3 | 53.9 | 0 | 0 | 0 | 0 | 113.2 | S569 I571 | S569-T615 PolarHBondContact O-N 3.49Å; I571-T615 HydrophobicContact CG2-CG2 3.65Å |
| 616 | Q | 84.6 | Confident | 92.5 | Very high | 103 Ų | 103 | 55.3 Ų | 55.3 | 48% | 0.481 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -6 | 177.6 | -66 | 73.3 | 33.3 | 0 | 0 | 113.5 | A530 A568 S614 | A530-Q616 HydrophobicContact CB-CG 4.31Å; A568-Q616 HydrophobicContact CB-CB 4.25Å; S614-Q616 PolarHBondContact O-N 3.49Å; S614-Q616 PolarHBondContact OG-N 3.01Å |
| 617 | G | 86.9 | Confident | 92.5 | Very high | 34 Ų | 34 | 48.6 Ų | 48.6 | 35% | 0.351 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 136.8 | -172.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S614 | S614-G617 WeakPolarHBondContact CB-O 3.37Å; S614-G617 PolarHBondContact N-O 3.16Å; S614-G617 PolarHBondContact O-N 2.99Å; S614-G617 PolarHBondContact OG-N 3.43Å; S614-G617 VanDerWaalsContact OG-N 3.11Å; S614-G617 PolarHBondContact OG-O 3.48Å |
| 618 | E | 92.6 | Very high | 92 | Very high | 92 Ų | 92 | 47.6 Ų | 47.6 | 43% | 0.43 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 152.9 | 179.5 | -55 | -173.9 | -179.5 | 0 | 0 | 111.6 | R611 T612 L613 | R611-E618 VanDerWaalsContact CD-OE2 3.23Å; R611-E618 WeakPolarHBondContact CD-OE2 3.42Å; R611-E618 IonicContact CZ-OE2 2.82Å; R611-E618 IonicContact NE-OE2 3.17Å; R611-E618 IonicContact NH1-OE2 3.75Å; R611-E618 PolarHBondContact NH1-OE2 3.27Å; T612-E618 CarbonylContact O-C 3.59Å; T612-E618 WeakPolarHBondContact O-CA 3.32Å; L613-E618 HydrophobicContact CD2-CG 3.76Å |
| 619 | S | 94.1 | Very high | 90.9 | Very high | 7 Ų | 7 | 53.4 Ų | 53.4 | 5% | 0.049 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 170.5 | 168.7 | 72.1 | 0 | 0 | 0 | 0 | 111.8 | P533 R611 T612 | P533-S619 WeakPolarHBondContact O-CA 3.2Å; P533-S619 WeakPolarHBondContact O-CB 3.42Å; R611-S619 WeakPolarHBondContact CA-OG 3.43Å; T612-S619 PolarHBondContact N-OG 3.02Å; T612-S619 PolarHBondContact O-N 2.95Å |
| 620 | Q | 92.7 | Very high | 89.6 | Confident | 142 Ų | 142 | 58.9 Ų | 58.9 | 66% | 0.664 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 167.1 | 159.1 | -65.5 | -60.3 | -43.1 | 0 | 0 | 111.4 | P535 | P535-Q620 WeakPolarHBondContact CB-O 3.46Š|
| 621 | D | 94.4 | Very high | 88.2 | Confident | 79 Ų | 79 | 60.4 Ų | 60.4 | 42% | 0.422 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 136.3 | 175.3 | -65.4 | -13.1 | 0 | 0 | 0 | 110.4 | I609 R611 | I609-D621 HydrophobicContact CD1-CB 3.86Å; I609-D621 VanDerWaalsContact CD1-OD1 3.28Å; I609-D621 WeakPolarHBondContact CD1-OD1 3.46Å; I609-D621 WeakPolarHBondContact CD1-OD2 3.34Å; I609-D621 HydrophobicContact CG2-CB 4.49Å; R611-D621 IonicContact CZ-OD1 2.65Å; R611-D621 IonicContact NE-OD1 3.02Å; R611-D621 PolarHBondContact NE-OD1 3.38Å; R611-D621 IonicContact NH2-OD1 3.13Å; R611-D621 PolarHBondContact NH2-OD1 3.3Å; R611-D621 IonicContact NH2-OD2 2.69Å |
| 622 | S | 95.3 | Very high | 86.6 | Confident | 5 Ų | 5 | 58.6 Ų | 58.6 | 4% | 0.035 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 168.2 | 168.2 | 69.7 | 0 | 0 | 0 | 0 | 111.6 | P536 V539 V610 V624 | P536-S622 WeakPolarHBondContact O-CB 3.33Å; V539-S622 WeakPolarHBondContact CG2-OG 3.45Å; V610-S622 PolarHBondContact N-OG 2.93Å; V610-S622 WeakPolarHBondContact O-CB 3.45Å; V610-S622 PolarHBondContact O-N 3.37Å; V610-S622 VanDerWaalsContact O-N 3.15Å; V610-S622 PolarHBondContact O-OG 3.45Å; S622-V624 PolarHBondContact O-N 3.04Å |
| 623 | P | 93.1 | Very high | 84.6 | Confident | 88 Ų | 88 | 60.8 Ų | 60.8 | 57% | 0.571 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -49.8 | 137.7 | 161.2 | -25.8 | 35.5 | 0 | 0 | 0 | 111 | A625 | P623-A625 PolarHBondContact O-N 3.3Š|
| 624 | V | 92.4 | Very high | 82 | Confident | 82 Ų | 82 | 65 Ų | 65 | 50% | 0.497 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 127.5 | -177.5 | -179.5 | 0 | 0 | 0 | 0 | 109.7 | E607 I609 S622 | E607-V624 HydrophobicContact CB-CG1 3.59Å; E607-V624 HydrophobicContact CG-CG1 4.22Å; I609-V624 HydrophobicContact CG2-CB 4.37Å; I609-V624 HydrophobicContact CG2-CG2 3.79Å; S622-V624 PolarHBondContact O-N 3.04Å |
| 625 | A | 92.5 | Very high | 79.6 | Confident | 7 Ų | 7 | 70.4 Ų | 70.4 | 6% | 0.058 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 122.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V539 V541 E607 V608 P623 | V539-A625 HydrophobicContact CB-CB 4.08Å; V539-A625 HydrophobicContact CG1-CB 3.63Å; V539-A625 WeakPolarHBondContact O-CB 3.43Å; V541-A625 HydrophobicContact CG2-CB 4.09Å; E607-A625 CarbonylContact C-O 3.57Å; E607-A625 WeakPolarHBondContact CA-O 3.37Å; V608-A625 HydrophobicContact CG2-CB 3.93Å; V608-A625 PolarHBondContact N-O 2.93Å; V608-A625 PolarHBondContact O-N 2.96Å; P623-A625 PolarHBondContact O-N 3.3Å |
| 626 | M | 90.8 | Very high | 77.4 | Confident | 116 Ų | 116 | 76.3 Ų | 76.3 | 57% | 0.571 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 137.5 | 177.8 | -67.5 | -61.7 | -66 | 0 | 0 | 110.7 | E607 P628 | E607-M626 HydrophobicContact CB-SD 4.36Å; M626-P628 WeakPolarHBondContact O-CD 3.48Å |
| 627 | I | 87.8 | Confident | 75.3 | Confident | 2 Ų | 2 | 79.7 Ų | 79.7 | 1% | 0.01 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 117.3 | 173.8 | -54.2 | 177.2 | 0 | 0 | 0 | 108 | V541 L550 I600 A605 R606 V608 H629 L632 | V541-I627 HydrophobicContact CG1-CG2 4.42Å; V541-I627 HydrophobicContact CG2-CG1 4.44Å; L550-I627 HydrophobicContact CD1-CG2 4Å; I600-I627 HydrophobicContact CD1-CD1 4.49Å; I600-I627 HydrophobicContact CG2-CD1 3.47Å; I600-I627 VanDerWaalsContact CG2-CD1 3.47Å; A605-I627 HydrophobicContact CB-CD1 4.48Å; R606-I627 PolarHBondContact O-N 3.34Å; V608-I627 HydrophobicContact CG1-CD1 3.85Å; V608-I627 HydrophobicContact CG1-CG1 4.12Å; I627-H629 PolarHBondContact O-N 3.01Å; I627-L632 HydrophobicContact CB-CD1 4.24Å; I627-L632 HydrophobicContact CG2-CD1 3.9Å; I627-L632 HydrophobicContact CG2-CD2 4.22Å; I627-L632 HydrophobicContact CG2-CG 3.85Å |
| 628 | P | 81.5 | Confident | 73 | Confident | 46 Ų | 46 | 82.9 Ų | 82.9 | 30% | 0.299 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 130.1 | -179.5 | -25 | 33.5 | 0 | 0 | 0 | 112.6 | M626 N630 L631 | M626-P628 WeakPolarHBondContact O-CD 3.48Å; P628-N630 WeakPolarHBondContact CB-OD1 3.49Å; P628-N630 PolarHBondContact O-N 3.11Å; P628-L631 HydrophobicContact CB-CD1 3.92Å; P628-L631 HydrophobicContact CB-CG 4.05Å; P628-L631 HydrophobicContact CG-CD1 3.83Å; P628-L631 WeakPolarHBondContact O-CB 3.49Å; P628-L631 PolarHBondContact O-N 2.97Å |
| 629 | H | 71.5 | Confident | 70.6 | Confident | 123 Ų | 123 | 87.9 Ų | 87.9 | 57% | 0.569 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -27.5 | -174.1 | -63.7 | -46.6 | 0 | 0 | 0 | 114.2 | R606 I627 L631 L632 | R606-H629 PolarHBondContact NH1-CE1 3.3Å; R606-H629 VanDerWaalsContact NH1-CE1 3.34Å; R606-H629 PolarHBondContact NH1-ND1 3.36Å; I627-H629 PolarHBondContact O-N 3.01Å; H629-L631 PolarHBondContact O-N 3.06Å; H629-L632 PolarHBondContact O-N 3.03Å |
| 630 | N | 69.8 | Low | 67.7 | Low | 135 Ų | 135 | 97.6 Ų | 97.6 | 72% | 0.722 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -21.2 | 173.8 | 57.8 | -42.8 | 0 | 0 | 0 | 113 | P628 | P628-N630 WeakPolarHBondContact CB-OD1 3.49Å; P628-N630 PolarHBondContact O-N 3.11Å |
| 631 | L | 67.2 | Low | 64.8 | Low | 32 Ų | 32 | 98.3 Ų | 98.3 | 17% | 0.168 | 53% | 0.529 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -21 | -179.6 | -55.7 | 177.6 | 0 | 0 | 0 | 113.1 | C543 L550 L597 P628 H629 G633 | C543-L631 HydrophobicContact CB-CD1 4.5Å; C543-L631 HydrophobicContact CB-CD2 3.72Å; L550-L631 HydrophobicContact CD2-CB 3.92Å; L550-L631 HydrophobicContact CD2-CD1 3.52Å; L550-L631 HydrophobicContact CD2-CG 4.26Å; L597-L631 VanDerWaalsContact CD2-O 3.3Å; L597-L631 WeakPolarHBondContact CD2-O 3.49Å; P628-L631 HydrophobicContact CB-CD1 3.92Å; P628-L631 HydrophobicContact CB-CG 4.05Å; P628-L631 HydrophobicContact CG-CD1 3.83Å; P628-L631 WeakPolarHBondContact O-CB 3.49Å; P628-L631 PolarHBondContact O-N 2.97Å; H629-L631 PolarHBondContact O-N 3.06Å; L631-G633 VanDerWaalsContact C-N 3.34Å |
| 632 | L | 63.7 | Low | 61.9 | Low | 26 Ų | 26 | 99.2 Ų | 99.2 | 14% | 0.136 | 54% | 0.537 | C | S | . | . | S | Bend | trans | -81.5 | -9.8 | -176.8 | -78.5 | 162.7 | 0 | 0 | 0 | 114 | I600 Q601 I627 H629 | I600-L632 HydrophobicContact CG2-CD2 3.77Å; Q601-L632 HydrophobicContact CG-CD2 4.27Å; Q601-L632 PolarHBondContact NE2-O 2.98Å; I627-L632 HydrophobicContact CB-CD1 4.24Å; I627-L632 HydrophobicContact CG2-CD1 3.9Å; I627-L632 HydrophobicContact CG2-CD2 4.22Å; I627-L632 HydrophobicContact CG2-CG 3.85Å; H629-L632 PolarHBondContact O-N 3.03Å |
| 633 | G | 53.4 | Low | 59.1 | Low | 46 Ų | 46 | 103 Ų | 103 | 47% | 0.474 | 57% | 0.569 | S | S | . | * | trans | 65.9 | 128.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L631 | L631-G633 VanDerWaalsContact C-N 3.34Š| ||
| 634 | S | 40.3 | Very low | 56.4 | Low | 98 Ų | 98 | 104.6 Ų | 104.6 | 69% | 0.685 | 58% | 0.579 | S | S | * | * | trans | -65.9 | 129.2 | 173.1 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | R636 | S634-R636 PolarHBondContact O-N 3.25Š| ||
| 635 | P | 41.7 | Very low | 54 | Low | 123 Ų | 123 | 106.4 Ų | 106.4 | 80% | 0.799 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 31.3 | -177.9 | 31 | -34.2 | 0 | 0 | 0 | 113.6 | ||
| 636 | R | 38.6 | Very low | 51.3 | Low | 216 Ų | 216 | 112 Ų | 112 | 82% | 0.815 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.3 | 20 | -172.2 | -70.8 | -146.4 | 179.2 | -159.3 | 2.1 | 116.8 | S634 | S634-R636 PolarHBondContact O-N 3.25Š|
| 637 | L | 40.8 | Very low | 48.5 | Very low | 175 Ų | 175 | 112 Ų | 112 | 92% | 0.916 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -120.4 | 39.9 | 175.6 | -68.7 | 174.7 | 0 | 0 | 0 | 113.9 | ||
| 638 | S | 39.7 | Very low | 45.9 | Very low | 101 Ų | 101 | 120 Ų | 120 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -136.2 | 54.6 | 167.5 | 50 | 0 | 0 | 0 | 0 | 111.3 | ||
| 639 | H | 40.7 | Very low | 43.8 | Very low | 196 Ų | 196 | 123.4 Ų | 123.4 | 91% | 0.907 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -161.2 | 139.6 | 149.4 | -105.1 | -68.5 | 0 | 0 | 0 | 111.3 | ||
| 640 | R | 33.1 | Very low | 41.8 | Very low | 212 Ų | 212 | 125.7 Ų | 125.7 | 80% | 0.8 | 71% | 0.712 | S | S | * | * | trans | 93.5 | 78.4 | 166.4 | -115.9 | -173.6 | -171.1 | 172.2 | 2.5 | 117.6 | T642 | R640-T642 WeakPolarHBondContact CD-OG1 3.48Å; R640-T642 WeakPolarHBondContact CG-OG1 3.42Å | ||
| 641 | V | 33.2 | Very low | 40.8 | Very low | 156 Ų | 156 | 124.3 Ų | 124.3 | 95% | 0.945 | 71% | 0.71 | S | S | * | * | trans | -82.4 | 110.4 | 137.7 | 177 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 642 | T | 33.8 | Very low | 39.2 | Very low | 98 Ų | 98 | 128.9 Ų | 128.9 | 60% | 0.601 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -97 | 133.9 | 177.4 | -41.2 | 0 | 0 | 0 | 0 | 108.2 | R640 | R640-T642 WeakPolarHBondContact CD-OG1 3.48Å; R640-T642 WeakPolarHBondContact CG-OG1 3.42Å |
| 643 | A | 36.5 | Very low | 38.4 | Very low | 84 Ų | 84 | 132.4 Ų | 132.4 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -60 | 160.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 644 | P | 36 | Very low | 37.3 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 161.2 | -173.4 | 32.2 | -33.1 | 0 | 0 | 0 | 112.8 | ||
| 645 | P | 41.5 | Very low | 37.7 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -93 | 159.7 | -156.2 | 36.7 | -33.7 | 0 | 0 | 0 | 113.2 | ||
| 646 | P | 36 | Very low | 37.4 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -100 | 152.6 | 155.3 | 33.6 | -23.1 | 0 | 0 | 0 | 112.1 | ||
| 647 | S | 31.3 | Very low | 37.9 | Very low | 114 Ų | 114 | 135 Ų | 135 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 142.5 | -177.8 | 44 | 0 | 0 | 0 | 0 | 116.5 | ||
| 648 | M | 33.3 | Very low | 37.5 | Very low | 170 Ų | 170 | 132.7 Ų | 132.7 | 84% | 0.837 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 157.2 | 161 | -83.2 | -73.5 | -142.1 | 0 | 0 | 112 | ||
| 649 | P | 36.9 | Very low | 37.1 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | -133 | 145.2 | 116.2 | 25.7 | -8.4 | 0 | 0 | 0 | 114.8 | |||||
| 650 | H | 30.7 | Very low | 36.6 | Very low | 171 Ų | 171 | 130 Ų | 130 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | trans | -43.7 | 175.6 | 164.3 | -79.5 | -52.9 | 0 | 0 | 0 | 117.1 | ||||
| 651 | P | 48.5 | Very low | 36.5 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 69% | 0.688 | 74% | 0.744 | S | S | * | * | cis | -148.6 | -173.9 | -10.1 | 30.1 | -3.7 | 0 | 0 | 0 | 118.1 | ||||
| 652 | V | 34 | Very low | 36.3 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | trans | 78.2 | 163.1 | 150.8 | -120.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 653 | P | 46.5 | Very low | 36.2 | Very low | 100 Ų | 100 | 130 Ų | 130 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | -132.8 | 175.5 | -97.7 | 45.4 | -27.8 | 0 | 0 | 0 | 117.1 | |||||
| 654 | Q | 30.8 | Very low | 37.2 | Very low | 181 Ų | 181 | 131.2 Ų | 131.2 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | trans | 68.5 | 169.6 | 150.2 | -87.7 | -167.9 | -9.1 | 0 | 0 | 118.7 | ||||
| 655 | P | 47.2 | Very low | 38.2 | Very low | 83 Ų | 83 | 130.3 Ų | 130.3 | 54% | 0.539 | 74% | 0.741 | S | S | . | * | cis | -137.1 | -173.3 | -47.1 | 34.7 | -15.7 | 0 | 0 | 0 | 112.6 | ||||
| 656 | H | 36 | Very low | 37.9 | Very low | 172 Ų | 172 | 135.4 Ų | 135.4 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | trans | 98.5 | 151.4 | 148.2 | -74.2 | -29.1 | 0 | 0 | 0 | 121.7 | ||||
| 657 | P | 49.9 | Very low | 38.8 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | trans | -127.3 | -147 | -134.9 | 40 | -19.8 | 0 | 0 | 0 | 111.8 | ||||
| 658 | V | 32.1 | Very low | 39 | Very low | 125 Ų | 125 | 134.4 Ų | 134.4 | 76% | 0.758 | 74% | 0.739 | S | S | * | * | trans | 87.4 | 143.2 | 164.3 | -175 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 659 | H | 32.1 | Very low | 39 | Very low | 162 Ų | 162 | 131.6 Ų | 131.6 | 75% | 0.75 | 73% | 0.731 | S | S | * | * | cis | 173 | 158.2 | -23.7 | -149.6 | -60.2 | 0 | 0 | 0 | 103 | ||||
| 660 | S | 29.3 | Very low | 38.9 | Very low | 80 Ų | 80 | 136.5 Ų | 136.5 | 56% | 0.559 | 74% | 0.736 | S | S | * | * | trans | 72.3 | 148.4 | 152.8 | 8.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 661 | Q | 29.8 | Very low | 39.9 | Very low | 164 Ų | 164 | 133.4 Ų | 133.4 | 77% | 0.766 | 73% | 0.731 | S | S | * | * | cis | -169.7 | 159.2 | 33.7 | -118.2 | 156.6 | 44 | 0 | 0 | 103.8 | ||||
| 662 | T | 29.6 | Very low | 40 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 76% | 0.761 | 73% | 0.732 | S | S | * | * | cis | 179.9 | 140.5 | 45.3 | -10.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 663 | H | 32.5 | Very low | 40 | Very low | 176 Ų | 176 | 134.3 Ų | 134.3 | 82% | 0.815 | 73% | 0.732 | S | S | * | * | trans | -84.6 | -170.5 | 150.6 | -84 | -86.3 | 0 | 0 | 0 | 109 | ||||
| 664 | P | 57.3 | Low | 39.6 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | -126.4 | -136.3 | -61.5 | 39.9 | -20.7 | 0 | 0 | 0 | 108.6 | |||||
| 665 | P | 57 | Low | 40.4 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 67% | 0.669 | 73% | 0.733 | S | S | * | * | cis | -132 | 162.6 | -33.3 | 34.1 | -14.9 | 0 | 0 | 0 | 116.8 | ||||
| 666 | Y | 35.5 | Very low | 40 | Very low | 227 Ų | 227 | 139.2 Ų | 139.2 | 89% | 0.89 | 75% | 0.748 | S | S | * | * | trans | 29.8 | 172.5 | 146.3 | -73.2 | -77.3 | 0 | 0 | 0 | 124.4 | ||||
| 667 | P | 53.8 | Low | 40.3 | Very low | 115 Ų | 115 | 137 Ų | 137 | 75% | 0.747 | 75% | 0.749 | S | S | * | * | cis | -144 | -172.7 | 7.1 | 36.1 | -11.7 | 0 | 0 | 0 | 119.4 | ||||
| 668 | S | 36.1 | Very low | 39.5 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | trans | 91.8 | 142.5 | 148.3 | -143 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 669 | T | 33 | Very low | 39.7 | Very low | 111 Ų | 111 | 142.4 Ų | 142.4 | 68% | 0.681 | 77% | 0.766 | S | S | * | * | cis | -172.1 | 133 | 26.5 | -25.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 670 | Y | 35.7 | Very low | 39.9 | Very low | 222 Ų | 222 | 143.5 Ų | 143.5 | 87% | 0.871 | 77% | 0.772 | S | S | * | * | trans | 71.2 | 157.1 | 139.8 | -79.8 | -107.9 | 0 | 0 | 0 | 127.3 | ||||
| 671 | P | 51.6 | Low | 40.8 | Very low | 105 Ų | 105 | 145.2 Ų | 145.2 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | trans | -124.2 | -147.3 | -152.1 | 47.6 | -31.9 | 0 | 0 | 0 | 114.5 | ||||
| 672 | P | 50.5 | Low | 41.5 | Very low | 110 Ų | 110 | 146 Ų | 146 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | cis | -133.1 | 172.2 | -36.1 | 33.4 | -12.7 | 0 | 0 | 0 | 117.3 | ||||
| 673 | N | 33.5 | Very low | 42.2 | Very low | 144 Ų | 144 | 145.5 Ų | 145.5 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | 65.2 | 124.9 | 145.1 | -79.8 | -3.9 | 0 | 0 | 0 | 128.8 | ||||
| 674 | H | 37.7 | Very low | 42.9 | Very low | 171 Ų | 171 | 152.3 Ų | 152.3 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | trans | 76.4 | 163.9 | 136.5 | -90.8 | -50.8 | 0 | 0 | 0 | 123.8 | ||||
| 675 | P | 48.8 | Very low | 42.1 | Very low | 110 Ų | 110 | 154.4 Ų | 154.4 | 71% | 0.714 | 82% | 0.815 | S | S | * | * | cis | -133.3 | 179.8 | -47.9 | 27.2 | -5.1 | 0 | 0 | 0 | 116.7 | ||||
| 676 | Q | 39 | Very low | 41.4 | Very low | 185 Ų | 185 | 157.1 Ų | 157.1 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | -40.6 | 161.8 | 167 | -90.5 | 171.8 | -55.3 | 0 | 0 | 118.7 | ||||
| 677 | P | 41.8 | Very low | 41.7 | Very low | 127 Ų | 127 | 153.2 Ų | 153.2 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | -107.7 | 136.7 | 155.5 | 33.6 | -20.7 | 0 | 0 | 0 | 114.1 | ||||
| 678 | Q | 32.6 | Very low | 41 | Very low | 199 Ų | 199 | 155.5 Ų | 155.5 | 93% | 0.93 | 82% | 0.823 | S | S | * | * | trans | -109.1 | 140 | 171.2 | -145.2 | 179.5 | -6.6 | 0 | 0 | 107.6 | ||||
| 679 | V | 36.8 | Very low | 41.3 | Very low | 141 Ų | 141 | 158.8 Ų | 158.8 | 86% | 0.855 | 83% | 0.829 | S | S | * | * | trans | -110.1 | 133.5 | 179.6 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 680 | Q | 35.9 | Very low | 41.8 | Very low | 185 Ų | 185 | 161.9 Ų | 161.9 | 86% | 0.864 | 84% | 0.839 | S | S | * | * | trans | -129.8 | 161.5 | 169.8 | -107.4 | -165.9 | -8.8 | 0 | 0 | 111.1 | ||||
| 681 | P | 49.4 | Very low | 42.3 | Very low | 117 Ų | 117 | 157.6 Ų | 157.6 | 76% | 0.76 | 84% | 0.837 | S | S | * | * | trans | -95.7 | 168.4 | -154.2 | 38.8 | -37 | 0 | 0 | 0 | 114 | ||||
| 682 | L | 44.2 | Very low | 41.6 | Very low | 179 Ų | 179 | 161.7 Ų | 161.7 | 94% | 0.937 | 85% | 0.849 | S | S | * | * | trans | -125.9 | 131 | 169.9 | -96.8 | 152.2 | 0 | 0 | 0 | 110.5 | ||||
| 683 | S | 42.8 | Very low | 40.8 | Very low | 115 Ų | 115 | 166 Ų | 166 | 80% | 0.804 | 86% | 0.86 | S | S | * | * | trans | -101.7 | 135.4 | 169.9 | 45.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 684 | R | 47.2 | Very low | 41.5 | Very low | 319 Ų | 319 | 168 Ų | 168 | 100% | 1.204 | 87% | 0.868 | S | S | * | * | trans | -149.8 | 0 | 135.9 | -153.1 | -179.5 | -161.6 | -177.1 | 5.6 | 110 |
Retrieved 684 of 684 residues in 381.8 ms
(Link to these results)