| 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 | 41.7 | Very low | 60 | Low | 218 Ų | 218 | 113.9 Ų | 113.9 | 100% | 1.074 | 63% | 0.627 | S | S | * | * | 0 | 118.5 | 0 | -65.6 | -50.3 | -172.8 | 0 | 0 | 109.3 | |||||
| 2 | P | 45.6 | Very low | 61.2 | Low | 108 Ų | 108 | 108.7 Ų | 108.7 | 70% | 0.701 | 61% | 0.61 | S | S | * | * | trans | -69.2 | -50 | -176.3 | -22.2 | 34.7 | 0 | 0 | 0 | 114.3 | A4 R5 | P2-A4 PolarHBondContact O-N 3.45Å; P2-R5 PolarHBondContact O-N 3.27Å; P2-R5 VanDerWaalsContact O-N 3.12Å | ||
| 3 | G | 52.5 | Low | 62.4 | Low | 47 Ų | 47 | 103.5 Ų | 103.5 | 49% | 0.485 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.6 | -8.9 | -164.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | R5 | G3-R5 VanDerWaalsContact C-N 3.28Å; G3-R5 PolarHBondContact O-N 3.09Å |
| 4 | A | 53.2 | Low | 63.3 | Low | 68 Ų | 68 | 106.3 Ų | 106.3 | 56% | 0.562 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.9 | -26.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P2 | P2-A4 PolarHBondContact O-N 3.45Å |
| 5 | R | 54.5 | Low | 64.2 | Low | 209 Ų | 209 | 106.2 Ų | 106.2 | 79% | 0.789 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -79.1 | -35.2 | 177.5 | -72.9 | -177.3 | 169.6 | 179.7 | -4.4 | 112.5 | P2 G3 L8 C9 | P2-R5 PolarHBondContact O-N 3.27Å; P2-R5 VanDerWaalsContact O-N 3.12Å; G3-R5 VanDerWaalsContact C-N 3.28Å; G3-R5 PolarHBondContact O-N 3.09Å; R5-L8 PolarHBondContact O-N 2.97Å; R5-C9 PolarHBondContact O-N 3.36Å; R5-C9 VanDerWaalsContact O-N 3.1Å |
| 6 | D | 61.8 | Low | 64.9 | Low | 100 Ų | 100 | 104.3 Ų | 104.3 | 54% | 0.535 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.5 | -37 | -177.5 | -54.8 | -42.5 | 0 | 0 | 0 | 111.9 | C9 H10 | D6-C9 WeakPolarHBondContact O-CB 3.34Å; D6-C9 PolarHBondContact O-N 3.21Å; D6-H10 PolarHBondContact O-N 3.49Å |
| 7 | A | 67.1 | Low | 65.4 | Low | 57 Ų | 57 | 100.3 Ų | 100.3 | 47% | 0.471 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61 | -44.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | C9 H10 Q11 | A7-C9 VanDerWaalsContact C-N 3.34Å; A7-H10 PolarHBondContact O-N 3.04Å; A7-Q11 PolarHBondContact O-N 3.26Å |
| 8 | L | 68 | Low | 66.1 | Low | 117 Ų | 117 | 99.7 Ų | 99.7 | 61% | 0.613 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.2 | -39 | 175.5 | -69.3 | 168.9 | 0 | 0 | 0 | 111.6 | R5 Q11 A12 | R5-L8 PolarHBondContact O-N 2.97Å; L8-Q11 PolarHBondContact O-N 3.21Å; L8-A12 WeakPolarHBondContact O-CB 3.41Å; L8-A12 PolarHBondContact O-N 3.31Å |
| 9 | C | 69.6 | Low | 66.6 | Low | 67 Ų | 67 | 98.7 Ų | 98.7 | 45% | 0.453 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 175.8 | -167.9 | 0 | 0 | 0 | 0 | 111.8 | R5 D6 A7 A12 L13 | R5-C9 PolarHBondContact O-N 3.36Å; R5-C9 VanDerWaalsContact O-N 3.1Å; D6-C9 WeakPolarHBondContact O-CB 3.34Å; D6-C9 PolarHBondContact O-N 3.21Å; A7-C9 VanDerWaalsContact C-N 3.34Å; C9-A12 PolarHBondContact O-N 3.26Å; C9-L13 WeakPolarHBondContact O-CG 3.38Å; C9-L13 PolarHBondContact O-N 2.91Å |
| 10 | H | 72 | Confident | 66.9 | Low | 137 Ų | 137 | 94.7 Ų | 94.7 | 63% | 0.634 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.2 | -43.8 | 174.8 | -84.9 | -154.2 | 0 | 0 | 0 | 112.9 | D6 A7 A12 L13 Q14 | D6-H10 PolarHBondContact O-N 3.49Å; A7-H10 PolarHBondContact O-N 3.04Å; H10-A12 VanDerWaalsContact C-N 3.35Å; H10-A12 PolarHBondContact O-N 2.92Å; H10-L13 PolarHBondContact O-N 3.09Å; H10-Q14 WeakPolarHBondContact O-CB 2.98Å; H10-Q14 PolarHBondContact O-N 3.12Å |
| 11 | Q | 73.9 | Confident | 67.1 | Low | 125 Ų | 125 | 94.4 Ų | 94.4 | 58% | 0.584 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.4 | -40.2 | 175.6 | -79.3 | -173.7 | -63.7 | 0 | 0 | 112.5 | A7 L8 Q14 L15 | A7-Q11 PolarHBondContact O-N 3.26Å; L8-Q11 PolarHBondContact O-N 3.21Å; Q11-Q14 PolarHBondContact O-N 2.81Å; Q11-L15 WeakPolarHBondContact O-CG 3.45Å; Q11-L15 PolarHBondContact O-N 2.79Å |
| 12 | A | 74.3 | Confident | 68.8 | Low | 51 Ų | 51 | 92.6 Ų | 92.6 | 42% | 0.421 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L8 C9 H10 Q14 L15 L16 | L8-A12 WeakPolarHBondContact O-CB 3.41Å; L8-A12 PolarHBondContact O-N 3.31Å; C9-A12 PolarHBondContact O-N 3.26Å; H10-A12 VanDerWaalsContact C-N 3.35Å; H10-A12 PolarHBondContact O-N 2.92Å; A12-Q14 VanDerWaalsContact C-N 3.33Å; A12-Q14 PolarHBondContact O-N 3.17Å; A12-L15 PolarHBondContact O-N 3.05Å; A12-L16 WeakPolarHBondContact O-CG 3.38Å; A12-L16 PolarHBondContact O-N 3.42Å |
| 13 | L | 77.3 | Confident | 69.8 | Low | 42 Ų | 42 | 90.4 Ų | 90.4 | 22% | 0.22 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -63.5 | -38 | 176.2 | -70.9 | 171.1 | 0 | 0 | 0 | 112.4 | C9 H10 L16 A17 F33 | C9-L13 WeakPolarHBondContact O-CG 3.38Å; C9-L13 PolarHBondContact O-N 2.91Å; H10-L13 PolarHBondContact O-N 3.09Å; L13-L16 PolarHBondContact O-N 3.1Å; L13-A17 WeakPolarHBondContact O-CB 3.47Å; L13-A17 PolarHBondContact O-N 2.91Å; L13-F33 HydrophobicContact CD2-CE2 3.88Å; L13-F33 HydrophobicContact CD2-CZ 3.78Å |
| 14 | Q | 75.1 | Confident | 70.5 | Confident | 142 Ų | 142 | 91.4 Ų | 91.4 | 66% | 0.664 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.1 | -40.6 | 178.7 | -169.4 | 170.3 | -0.9 | 0 | 0 | 112.1 | H10 Q11 A12 A17 E18 | H10-Q14 WeakPolarHBondContact O-CB 2.98Å; H10-Q14 PolarHBondContact O-N 3.12Å; Q11-Q14 PolarHBondContact O-N 2.81Å; A12-Q14 VanDerWaalsContact C-N 3.33Å; A12-Q14 PolarHBondContact O-N 3.17Å; Q14-A17 PolarHBondContact O-N 2.96Å; Q14-E18 PolarHBondContact O-N 3.09Å; Q14-E18 VanDerWaalsContact O-N 3.11Å |
| 15 | L | 77.1 | Confident | 71.1 | Confident | 105 Ų | 105 | 92.3 Ų | 92.3 | 55% | 0.55 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 173.7 | -76.5 | 165.4 | 0 | 0 | 0 | 112.4 | Q11 A12 E18 L19 | Q11-L15 WeakPolarHBondContact O-CG 3.45Å; Q11-L15 PolarHBondContact O-N 2.79Å; A12-L15 PolarHBondContact O-N 3.05Å; L15-E18 PolarHBondContact O-N 3.34Å; L15-L19 WeakPolarHBondContact O-CG 3.45Å; L15-L19 PolarHBondContact O-N 3.23Å |
| 16 | L | 74.3 | Confident | 71.6 | Confident | 75 Ų | 75 | 89.8 Ų | 89.8 | 39% | 0.393 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 176.7 | -74.5 | 167.7 | 0 | 0 | 0 | 112 | A12 L13 E18 L19 C20 F33 | A12-L16 WeakPolarHBondContact O-CG 3.38Å; A12-L16 PolarHBondContact O-N 3.42Å; L13-L16 PolarHBondContact O-N 3.1Å; L16-E18 VanDerWaalsContact C-N 3.32Å; L16-E18 PolarHBondContact O-N 3.35Å; L16-L19 PolarHBondContact O-N 2.76Å; L16-C20 PolarHBondContact O-N 2.87Å; L16-F33 HydrophobicContact CB-CE1 3.64Å; L16-F33 HydrophobicContact CB-CE2 4.45Å; L16-F33 HydrophobicContact CB-CZ 3.56Å; L16-F33 HydrophobicContact CD1-CE2 4.16Å; L16-F33 HydrophobicContact CD1-CZ 3.95Å; L16-F33 HydrophobicContact CG-CZ 4.41Å |
| 17 | A | 74.3 | Confident | 71.6 | Confident | 37 Ų | 37 | 92 Ų | 92 | 31% | 0.306 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -39.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L13 Q14 A21 F33 L37 | L13-A17 WeakPolarHBondContact O-CB 3.47Å; L13-A17 PolarHBondContact O-N 2.91Å; Q14-A17 PolarHBondContact O-N 2.96Å; A17-A21 WeakPolarHBondContact O-CB 3.19Å; A17-A21 PolarHBondContact O-N 3.4Å; A17-F33 HydrophobicContact CB-CE1 4.49Å; A17-L37 HydrophobicContact CB-CD1 4.34Å |
| 18 | E | 77.2 | Confident | 71.2 | Confident | 90 Ų | 90 | 95 Ų | 95 | 42% | 0.421 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.6 | -38.2 | 177.2 | -174 | 169.1 | -160 | 0 | 0 | 113 | Q14 L15 L16 A21 R22 | Q14-E18 PolarHBondContact O-N 3.09Å; Q14-E18 VanDerWaalsContact O-N 3.11Å; L15-E18 PolarHBondContact O-N 3.34Å; L16-E18 VanDerWaalsContact C-N 3.32Å; L16-E18 PolarHBondContact O-N 3.35Å; E18-A21 PolarHBondContact O-N 2.89Å; E18-R22 WeakPolarHBondContact O-CB 3.4Å; E18-R22 VanDerWaalsContact O-CG 3.29Å; E18-R22 WeakPolarHBondContact O-CG 3.25Å; E18-R22 PolarHBondContact O-N 3.4Å; E18-R22 IonicContact OE1-CZ 3.05Å; E18-R22 IonicContact OE1-NE 3.35Å; E18-R22 PolarHBondContact OE1-NE 3.37Å; E18-R22 IonicContact OE1-NH2 2.74Å; E18-R22 PolarHBondContact OE1-NH2 2.83Å |
| 19 | L | 75.4 | Confident | 70.9 | Confident | 80 Ų | 80 | 93.3 Ų | 93.3 | 42% | 0.419 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 174.9 | -72.3 | 168.9 | 0 | 0 | 0 | 112.2 | L15 L16 R22 G23 A24 L25 | L15-L19 WeakPolarHBondContact O-CG 3.45Å; L15-L19 PolarHBondContact O-N 3.23Å; L16-L19 PolarHBondContact O-N 2.76Å; L19-R22 PolarHBondContact O-N 2.87Å; L19-G23 PolarHBondContact O-N 2.87Å; L19-A24 PolarHBondContact O-N 3.21Å; L19-L25 HydrophobicContact CB-CD1 3.95Å |
| 20 | C | 74.1 | Confident | 70.7 | Confident | 18 Ų | 18 | 90.6 Ų | 90.6 | 12% | 0.122 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 171.8 | -79.2 | 0 | 0 | 0 | 0 | 112.4 | L16 R22 G23 C30 | L16-C20 PolarHBondContact O-N 2.87Å; C20-R22 PolarHBondContact O-N 2.91Å; C20-G23 PolarHBondContact O-N 2.83Å; C20-C30 WeakPolarHBondContact CA-SG 3.48Å; C20-C30 HydrophobicContact CB-CB 3.69Å; C20-C30 WeakPolarHBondContact CB-SG 3.47Å; C20-C30 VanDerWaalsContact SG-CA 3.52Å; C20-C30 WeakPolarHBondContact SG-CB 3.34Å; C20-C30 CovalentContact SG-SG 2.04Å; C20-C30 PolarHBondContact SG-SG 2.87Å |
| 21 | A | 71.4 | Confident | 70.3 | Confident | 89 Ų | 89 | 89.7 Ų | 89.7 | 74% | 0.736 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.1 | -26.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A17 E18 | A17-A21 WeakPolarHBondContact O-CB 3.19Å; A17-A21 PolarHBondContact O-N 3.4Å; E18-A21 PolarHBondContact O-N 2.89Å |
| 22 | R | 75.4 | Confident | 69.7 | Low | 181 Ų | 181 | 89.4 Ų | 89.4 | 68% | 0.683 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 0.1 | 174.8 | -68.1 | 173.3 | -177.7 | -143.7 | 7.3 | 113.9 | E18 L19 C20 A24 | E18-R22 WeakPolarHBondContact O-CB 3.4Å; E18-R22 VanDerWaalsContact O-CG 3.29Å; E18-R22 WeakPolarHBondContact O-CG 3.25Å; E18-R22 PolarHBondContact O-N 3.4Å; E18-R22 IonicContact OE1-CZ 3.05Å; E18-R22 IonicContact OE1-NE 3.35Å; E18-R22 PolarHBondContact OE1-NE 3.37Å; E18-R22 IonicContact OE1-NH2 2.74Å; E18-R22 PolarHBondContact OE1-NH2 2.83Å; L19-R22 PolarHBondContact O-N 2.87Å; C20-R22 PolarHBondContact O-N 2.91Å; R22-A24 VanDerWaalsContact C-N 3.29Å; R22-A24 PolarHBondContact O-N 2.72Å |
| 23 | G | 66.9 | Low | 69.3 | Low | 61 Ų | 61 | 89.4 Ų | 89.4 | 63% | 0.629 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | 23.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L19 C20 L25 | L19-G23 PolarHBondContact O-N 2.87Å; C20-G23 PolarHBondContact O-N 2.83Å; G23-L25 VanDerWaalsContact C-N 3.28Å; G23-L25 PolarHBondContact O-N 2.74Å |
| 24 | A | 66.9 | Low | 68.7 | Low | 68 Ų | 68 | 91.7 Ų | 91.7 | 56% | 0.562 | 50% | 0.5 | S | S | * | . | trans | -87.4 | 8.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L19 R22 | L19-A24 PolarHBondContact O-N 3.21Å; R22-A24 VanDerWaalsContact C-N 3.29Å; R22-A24 PolarHBondContact O-N 2.72Å | ||
| 25 | L | 66.1 | Low | 68 | Low | 87 Ų | 87 | 93.2 Ų | 93.2 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -142.7 | 158.6 | -173.9 | -70.7 | 171.4 | 0 | 0 | 0 | 109.6 | L19 G23 | L19-L25 HydrophobicContact CB-CD1 3.95Å; G23-L25 VanDerWaalsContact C-N 3.28Å; G23-L25 PolarHBondContact O-N 2.74Å |
| 26 | E | 66.1 | Low | 67 | Low | 157 Ų | 157 | 95.3 Ų | 95.3 | 73% | 0.734 | 51% | 0.507 | S | S | * | . | trans | -62.6 | 140.2 | -178.1 | -63.7 | -176.6 | 152.9 | 0 | 0 | 112.4 | D28 S29 C30 | E26-D28 PolarHBondContact O-N 3.38Å; E26-S29 PolarHBondContact O-N 3.05Å; E26-C30 PolarHBondContact O-N 3.15Å | ||
| 27 | H | 60.9 | Low | 66.4 | Low | 147 Ų | 147 | 94.1 Ų | 94.1 | 68% | 0.681 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62 | -49.2 | -163.7 | -161.6 | 59.1 | 0 | 0 | 0 | 112.9 | S29 C30 Q31 | H27-S29 PolarHBondContact O-N 3.25Å; H27-C30 WeakPolarHBondContact O-CB 3.46Å; H27-C30 PolarHBondContact O-N 3Å; H27-C30 VanDerWaalsContact O-N 3.14Å; H27-Q31 PolarHBondContact O-N 3.2Å |
| 28 | D | 59 | Low | 65.6 | Low | 120 Ų | 120 | 101.5 Ų | 101.5 | 64% | 0.642 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.6 | -44.4 | -177.6 | -59.5 | 4.7 | 0 | 0 | 0 | 111.6 | E26 C30 Q31 D32 | E26-D28 PolarHBondContact O-N 3.38Å; D28-C30 VanDerWaalsContact C-N 3.27Å; D28-C30 PolarHBondContact O-N 3.3Å; D28-Q31 WeakPolarHBondContact O-CB 3.26Å; D28-Q31 PolarHBondContact O-N 3.36Å; D28-D32 PolarHBondContact O-N 3.28Å; D28-D32 VanDerWaalsContact O-N 3.11Å |
| 29 | S | 62.9 | Low | 64.4 | Low | 80 Ų | 80 | 101.4 Ų | 101.4 | 56% | 0.559 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.8 | -37.8 | 176 | -72.4 | 0 | 0 | 0 | 0 | 112.3 | E26 H27 F33 | E26-S29 PolarHBondContact O-N 3.05Å; H27-S29 PolarHBondContact O-N 3.25Å; S29-F33 WeakPolarHBondContact O-CB 3.26Å; S29-F33 PolarHBondContact O-N 2.88Å |
| 30 | C | 64.8 | Low | 63.2 | Low | 10 Ų | 10 | 107.4 Ų | 107.4 | 7% | 0.068 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -74.6 | -31.4 | 174.4 | -76.4 | 0 | 0 | 0 | 0 | 113 | C20 E26 H27 D28 F33 I34 | C20-C30 WeakPolarHBondContact CA-SG 3.48Å; C20-C30 HydrophobicContact CB-CB 3.69Å; C20-C30 WeakPolarHBondContact CB-SG 3.47Å; C20-C30 VanDerWaalsContact SG-CA 3.52Å; C20-C30 WeakPolarHBondContact SG-CB 3.34Å; C20-C30 CovalentContact SG-SG 2.04Å; C20-C30 PolarHBondContact SG-SG 2.87Å; E26-C30 PolarHBondContact O-N 3.15Å; H27-C30 WeakPolarHBondContact O-CB 3.46Å; H27-C30 PolarHBondContact O-N 3Å; H27-C30 VanDerWaalsContact O-N 3.14Å; D28-C30 VanDerWaalsContact C-N 3.27Å; D28-C30 PolarHBondContact O-N 3.3Å; C30-F33 PolarHBondContact O-N 3.47Å; C30-I34 WeakPolarHBondContact O-CB 3.16Å; C30-I34 WeakPolarHBondContact O-CD1 3.11Å; C30-I34 WeakPolarHBondContact O-CG1 3.31Å; C30-I34 PolarHBondContact O-N 3.3Å |
| 31 | Q | 62.3 | Low | 61.6 | Low | 118 Ų | 118 | 110.2 Ų | 110.2 | 55% | 0.551 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.2 | -46.5 | -179.3 | -163.1 | 166 | 14.9 | 0 | 0 | 111.3 | H27 D28 I34 Y35 | H27-Q31 PolarHBondContact O-N 3.2Å; D28-Q31 WeakPolarHBondContact O-CB 3.26Å; D28-Q31 PolarHBondContact O-N 3.36Å; Q31-I34 PolarHBondContact O-N 3.47Å; Q31-Y35 WeakPolarHBondContact O-CB 3.49Å; Q31-Y35 PolarHBondContact O-N 3.47Å |
| 32 | D | 61.7 | Low | 59.9 | Low | 119 Ų | 119 | 114.4 Ų | 114.4 | 64% | 0.636 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.8 | -43 | 174 | -84.2 | -12.7 | 0 | 0 | 0 | 112.2 | D28 I34 Y35 H36 | D28-D32 PolarHBondContact O-N 3.28Å; D28-D32 VanDerWaalsContact O-N 3.11Å; D32-I34 PolarHBondContact O-N 2.82Å; D32-Y35 WeakPolarHBondContact O-CB 3.47Å; D32-Y35 PolarHBondContact O-N 2.78Å; D32-H36 PolarHBondContact O-N 2.75Å |
| 33 | F | 66.5 | Low | 58 | Low | 51 Ų | 51 | 111.4 Ų | 111.4 | 22% | 0.224 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -62.4 | -42.5 | 178.6 | -176.6 | -106.1 | 0 | 0 | 0 | 112.4 | L13 L16 A17 S29 C30 Y35 H36 L37 | L13-F33 HydrophobicContact CD2-CE2 3.88Å; L13-F33 HydrophobicContact CD2-CZ 3.78Å; L16-F33 HydrophobicContact CB-CE1 3.64Å; L16-F33 HydrophobicContact CB-CE2 4.45Å; L16-F33 HydrophobicContact CB-CZ 3.56Å; L16-F33 HydrophobicContact CD1-CE2 4.16Å; L16-F33 HydrophobicContact CD1-CZ 3.95Å; L16-F33 HydrophobicContact CG-CZ 4.41Å; A17-F33 HydrophobicContact CB-CE1 4.49Å; S29-F33 WeakPolarHBondContact O-CB 3.26Å; S29-F33 PolarHBondContact O-N 2.88Å; C30-F33 PolarHBondContact O-N 3.47Å; F33-Y35 VanDerWaalsContact C-N 3.35Å; F33-H36 PolarHBondContact O-N 3.38Å; F33-L37 HydrophobicContact CD1-CD1 3.97Å; F33-L37 HydrophobicContact CE1-CD1 3.42Å; F33-L37 VanDerWaalsContact CE1-CD1 3.42Å; F33-L37 HydrophobicContact CE1-CG 4.4Å; F33-L37 HydrophobicContact CZ-CD1 3.74Å; F33-L37 HydrophobicContact CZ-CG 4.38Å; F33-L37 PolarHBondContact O-N 2.54Å |
| 34 | I | 63.7 | Low | 56.5 | Low | 91 Ų | 91 | 120.2 Ų | 120.2 | 47% | 0.467 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.1 | -39.2 | 174.7 | -71.8 | 167.4 | 0 | 0 | 0 | 110.8 | C30 Q31 D32 L37 R38 | C30-I34 WeakPolarHBondContact O-CB 3.16Å; C30-I34 WeakPolarHBondContact O-CD1 3.11Å; C30-I34 WeakPolarHBondContact O-CG1 3.31Å; C30-I34 PolarHBondContact O-N 3.3Å; Q31-I34 PolarHBondContact O-N 3.47Å; D32-I34 PolarHBondContact O-N 2.82Å; I34-L37 PolarHBondContact O-N 2.84Å; I34-R38 VanDerWaalsContact O-CB 3.31Å; I34-R38 WeakPolarHBondContact O-CB 3.29Å; I34-R38 PolarHBondContact O-N 2.94Å |
| 35 | Y | 60.3 | Low | 55 | Low | 173 Ų | 173 | 124 Ų | 124 | 68% | 0.678 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.1 | -45.3 | 176.6 | -152.4 | -88.5 | 0 | 0 | 0 | 111.5 | Q31 D32 F33 L37 R38 D39 | Q31-Y35 WeakPolarHBondContact O-CB 3.49Å; Q31-Y35 PolarHBondContact O-N 3.47Å; D32-Y35 WeakPolarHBondContact O-CB 3.47Å; D32-Y35 PolarHBondContact O-N 2.78Å; F33-Y35 VanDerWaalsContact C-N 3.35Å; Y35-L37 PolarHBondContact O-N 3.28Å; Y35-R38 PolarHBondContact O-N 3.37Å; Y35-D39 PolarHBondContact O-N 2.87Å; Y35-D39 VanDerWaalsContact O-N 3.16Å |
| 36 | H | 57.8 | Low | 53.5 | Low | 149 Ų | 149 | 130.8 Ų | 130.8 | 69% | 0.69 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.6 | -39.9 | 176.9 | -107.9 | -54.5 | 0 | 0 | 0 | 113.4 | D32 F33 R40 | D32-H36 PolarHBondContact O-N 2.75Å; F33-H36 PolarHBondContact O-N 3.38Å; H36-R40 PolarHBondContact O-N 2.98Å |
| 37 | L | 61 | Low | 52.7 | Low | 51 Ų | 51 | 128.8 Ų | 128.8 | 27% | 0.267 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.3 | -40.3 | 173.7 | -84.6 | 172.1 | 0 | 0 | 0 | 111.9 | A17 F33 I34 Y35 D39 R40 A41 | A17-L37 HydrophobicContact CB-CD1 4.34Å; F33-L37 HydrophobicContact CD1-CD1 3.97Å; F33-L37 HydrophobicContact CE1-CD1 3.42Å; F33-L37 VanDerWaalsContact CE1-CD1 3.42Å; F33-L37 HydrophobicContact CE1-CG 4.4Å; F33-L37 HydrophobicContact CZ-CD1 3.74Å; F33-L37 HydrophobicContact CZ-CG 4.38Å; F33-L37 PolarHBondContact O-N 2.54Å; I34-L37 PolarHBondContact O-N 2.84Å; Y35-L37 PolarHBondContact O-N 3.28Å; L37-D39 VanDerWaalsContact C-N 3.3Å; L37-D39 PolarHBondContact O-N 3.09Å; L37-R40 PolarHBondContact O-N 2.96Å; L37-A41 WeakPolarHBondContact O-CB 3.46Å; L37-A41 PolarHBondContact O-N 2.8Å |
| 38 | R | 58.3 | Low | 51.8 | Low | 192 Ų | 192 | 126 Ų | 126 | 73% | 0.725 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62 | -36.7 | -179.9 | -166.7 | 176.9 | -164.9 | 167.4 | 5.4 | 112.5 | I34 Y35 A41 | I34-R38 VanDerWaalsContact O-CB 3.31Å; I34-R38 WeakPolarHBondContact O-CB 3.29Å; I34-R38 PolarHBondContact O-N 2.94Å; Y35-R38 PolarHBondContact O-N 3.37Å; R38-A41 PolarHBondContact O-N 3.3Å |
| 39 | D | 50.8 | Low | 51.1 | Low | 88 Ų | 88 | 125.1 Ų | 125.1 | 47% | 0.471 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -76.5 | -33.2 | 178 | -140.8 | 46.2 | 0 | 0 | 0 | 112.5 | Y35 L37 A41 R42 | Y35-D39 PolarHBondContact O-N 2.87Å; Y35-D39 VanDerWaalsContact O-N 3.16Å; L37-D39 VanDerWaalsContact C-N 3.3Å; L37-D39 PolarHBondContact O-N 3.09Å; D39-A41 VanDerWaalsContact C-N 3.29Å; D39-A41 PolarHBondContact O-N 2.58Å; D39-R42 IonicContact OD1-CZ 3.66Å; D39-R42 IonicContact OD1-NE 3.84Å; D39-R42 PolarHBondContact OD1-NE 2.82Å; D39-R42 IonicContact OD1-NH2 2.81Å; D39-R42 PolarHBondContact OD1-NH2 2.77Å |
| 40 | R | 49.7 | Very low | 50.6 | Low | 205 Ų | 205 | 126.4 Ų | 126.4 | 77% | 0.774 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67 | -25.7 | 168.7 | -104.9 | -178.4 | 172.5 | 171.1 | -1.3 | 113.9 | H36 L37 R42 | H36-R40 PolarHBondContact O-N 2.98Å; L37-R40 PolarHBondContact O-N 2.96Å; R40-R42 VanDerWaalsContact C-N 3.33Å |
| 41 | A | 40.5 | Very low | 50.1 | Low | 77 Ų | 77 | 129.9 Ų | 129.9 | 64% | 0.636 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -2.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L37 R38 D39 P43 | L37-A41 WeakPolarHBondContact O-CB 3.46Å; L37-A41 PolarHBondContact O-N 2.8Å; R38-A41 PolarHBondContact O-N 3.3Å; D39-A41 VanDerWaalsContact C-N 3.29Å; D39-A41 PolarHBondContact O-N 2.58Å; A41-P43 WeakPolarHBondContact O-CD 3.45Å |
| 42 | R | 37.3 | Very low | 49.8 | Very low | 177 Ų | 177 | 128.7 Ų | 128.7 | 67% | 0.668 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -66.6 | 123.8 | 173.1 | -62.3 | -169.6 | -161 | -143.5 | 9.2 | 110.2 | D39 R40 R44 | D39-R42 IonicContact OD1-CZ 3.66Å; D39-R42 IonicContact OD1-NE 3.84Å; D39-R42 PolarHBondContact OD1-NE 2.82Å; D39-R42 IonicContact OD1-NH2 2.81Å; D39-R42 PolarHBondContact OD1-NH2 2.77Å; R40-R42 VanDerWaalsContact C-N 3.33Å; R42-R44 PolarHBondContact O-N 2.67Å |
| 43 | P | 33.6 | Very low | 50 | Low | 119 Ų | 119 | 126.6 Ų | 126.6 | 77% | 0.773 | 61% | 0.613 | S | S | * | * | trans | -61.2 | 130.4 | 173.6 | -22.1 | 33.7 | 0 | 0 | 0 | 110.6 | A41 L45 | A41-P43 WeakPolarHBondContact O-CD 3.45Å; P43-L45 PolarHBondContact O-N 2.71Å; P43-L45 VanDerWaalsContact O-N 3.1Å | ||
| 44 | R | 35.8 | Very low | 50.1 | Low | 245 Ų | 245 | 129.2 Ų | 129.2 | 93% | 0.925 | 63% | 0.629 | S | S | * | * | trans | -67.9 | 107.2 | 162.4 | -73.3 | -177.1 | 176.6 | 176.3 | -1.9 | 107.4 | R42 R46 | R42-R44 PolarHBondContact O-N 2.67Å; R44-R46 PolarHBondContact O-N 3.49Å | ||
| 45 | L | 36 | Very low | 50.5 | Low | 149 Ų | 149 | 130.6 Ų | 130.6 | 78% | 0.78 | 64% | 0.637 | S | S | * | * | trans | -59 | 128.1 | 176.9 | -152.9 | 76.4 | 0 | 0 | 0 | 108.8 | P43 | P43-L45 PolarHBondContact O-N 2.71Å; P43-L45 VanDerWaalsContact O-N 3.1Å | ||
| 46 | R | 35.2 | Very low | 51.2 | Low | 229 Ų | 229 | 126 Ų | 126 | 86% | 0.864 | 63% | 0.627 | S | S | * | * | trans | -108.8 | 136.9 | 175.1 | -144.2 | 178.8 | -173.9 | -172.1 | 0.4 | 106.7 | R44 | R44-R46 PolarHBondContact O-N 3.49Š| ||
| 47 | D | 47.4 | Very low | 52.4 | Low | 115 Ų | 115 | 124.2 Ų | 124.2 | 62% | 0.615 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -51.5 | 135.7 | -165.4 | -60.5 | -90.6 | 0 | 0 | 0 | 114.5 | I50 | D47-I50 VanDerWaalsContact OD1-CD1 3.23Å; D47-I50 WeakPolarHBondContact OD1-CD1 3.44Å; D47-I50 WeakPolarHBondContact OD1-CG1 3.41Å |
| 48 | P | 43.5 | Very low | 53.5 | Low | 87 Ų | 87 | 125.1 Ų | 125.1 | 57% | 0.565 | 63% | 0.629 | S | S | * | * | S | Bend | -127.6 | -19.5 | 105.6 | 35.8 | -30.9 | 0 | 0 | 0 | 115 | I50 S51 | P48-I50 PolarHBondContact O-N 2.86Å; P48-S51 PolarHBondContact O-N 3.07Å; P48-S51 PolarHBondContact O-OG 2.43Å | |
| 49 | D | 43.3 | Very low | 55 | Low | 102 Ų | 102 | 120.4 Ų | 120.4 | 55% | 0.545 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.6 | -20.2 | -161.5 | -59 | -45.5 | 0 | 0 | 0 | 115.5 | S51 V52 S53 | D49-S51 PolarHBondContact O-N 3.35Å; D49-V52 PolarHBondContact O-N 2.84Å; D49-S53 PolarHBondContact O-N 3.22Å; D49-S53 VanDerWaalsContact O-N 3.09Å |
| 50 | I | 52.5 | Low | 56.7 | Low | 107 Ų | 107 | 120.1 Ų | 120.1 | 55% | 0.549 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -61.2 | -32.7 | 178.7 | -63.3 | -169 | 0 | 0 | 0 | 111.2 | D47 P48 L54 | D47-I50 VanDerWaalsContact OD1-CD1 3.23Å; D47-I50 WeakPolarHBondContact OD1-CD1 3.44Å; D47-I50 WeakPolarHBondContact OD1-CG1 3.41Å; P48-I50 PolarHBondContact O-N 2.86Å; I50-L54 VanDerWaalsContact O-CB 3.22Å; I50-L54 WeakPolarHBondContact O-CB 3.39Å; I50-L54 PolarHBondContact O-N 3.4Å |
| 51 | S | 54.6 | Low | 58.5 | Low | 83 Ų | 83 | 112.9 Ų | 112.9 | 58% | 0.58 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -60.7 | -47 | 178.1 | 63.6 | 0 | 0 | 0 | 0 | 112.6 | P48 D49 L55 | P48-S51 PolarHBondContact O-N 3.07Å; P48-S51 PolarHBondContact O-OG 2.43Å; D49-S51 PolarHBondContact O-N 3.35Å; S51-L55 VanDerWaalsContact O-CB 3.24Å; S51-L55 WeakPolarHBondContact O-CB 3.3Å; S51-L55 PolarHBondContact O-N 3.23Å |
| 52 | V | 56.8 | Low | 60.9 | Low | 93 Ų | 93 | 112.5 Ų | 112.5 | 56% | 0.564 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -72.9 | -40.5 | -179.4 | -176.7 | 0 | 0 | 0 | 0 | 111.2 | D49 T56 | D49-V52 PolarHBondContact O-N 2.84Å; V52-T56 WeakPolarHBondContact O-CB 3.49Å; V52-T56 WeakPolarHBondContact O-CG2 3.41Å; V52-T56 PolarHBondContact O-N 3.03Å; V52-T56 PolarHBondContact O-OG1 2.91Å |
| 53 | S | 65.8 | Low | 63.4 | Low | 75 Ų | 75 | 105.8 Ų | 105.8 | 52% | 0.524 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.3 | -44.2 | 177.1 | -173 | 0 | 0 | 0 | 0 | 112.3 | D49 T56 L57 | D49-S53 PolarHBondContact O-N 3.22Å; D49-S53 VanDerWaalsContact O-N 3.09Å; S53-T56 WeakPolarHBondContact CA-OG1 3.32Å; S53-T56 PolarHBondContact O-N 3.1Å; S53-T56 PolarHBondContact O-OG1 3.1Å; S53-T56 VanDerWaalsContact O-OG1 3.04Å; S53-L57 WeakPolarHBondContact O-CB 3.04Å; S53-L57 PolarHBondContact O-N 3.44Å |
| 54 | L | 68.1 | Low | 66.2 | Low | 107 Ų | 107 | 106.1 Ų | 106.1 | 56% | 0.56 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -73.2 | -37 | 179.2 | -159.4 | 150.2 | 0 | 0 | 0 | 111.6 | I50 L57 V58 | I50-L54 VanDerWaalsContact O-CB 3.22Å; I50-L54 WeakPolarHBondContact O-CB 3.39Å; I50-L54 PolarHBondContact O-N 3.4Å; L54-L57 PolarHBondContact O-N 2.85Å; L54-V58 HydrophobicContact CD2-CG2 3.98Å; L54-V58 WeakPolarHBondContact O-CB 3.43Å; L54-V58 WeakPolarHBondContact O-CG2 3.36Å; L54-V58 PolarHBondContact O-N 3.11Å |
| 55 | L | 71.3 | Confident | 68.8 | Low | 120 Ų | 120 | 97.3 Ų | 97.3 | 63% | 0.628 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.8 | -44.6 | 172.7 | -166.5 | 87.3 | 0 | 0 | 0 | 111.6 | S51 V58 V59 | S51-L55 VanDerWaalsContact O-CB 3.24Å; S51-L55 WeakPolarHBondContact O-CB 3.3Å; S51-L55 PolarHBondContact O-N 3.23Å; L55-V58 PolarHBondContact O-N 3.22Å; L55-V59 HydrophobicContact CG-CG2 4.48Å; L55-V59 WeakPolarHBondContact O-CB 3.22Å; L55-V59 VanDerWaalsContact O-CG2 3.27Å; L55-V59 WeakPolarHBondContact O-CG2 2.92Å; L55-V59 PolarHBondContact O-N 3.33Å |
| 56 | T | 76.1 | Confident | 71.4 | Confident | 76 Ų | 76 | 96.1 Ų | 96.1 | 47% | 0.466 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.9 | -34.6 | 176.8 | 47.5 | 0 | 0 | 0 | 0 | 112.5 | V52 S53 T60 | V52-T56 WeakPolarHBondContact O-CB 3.49Å; V52-T56 WeakPolarHBondContact O-CG2 3.41Å; V52-T56 PolarHBondContact O-N 3.03Å; V52-T56 PolarHBondContact O-OG1 2.91Å; S53-T56 WeakPolarHBondContact CA-OG1 3.32Å; S53-T56 PolarHBondContact O-N 3.1Å; S53-T56 PolarHBondContact O-OG1 3.1Å; S53-T56 VanDerWaalsContact O-OG1 3.04Å; T56-T60 WeakPolarHBondContact O-CB 3.22Å; T56-T60 WeakPolarHBondContact O-CG2 3.47Å; T56-T60 PolarHBondContact O-N 3.25Å; T56-T60 PolarHBondContact O-OG1 3.32Å |
| 57 | L | 82 | Confident | 74 | Confident | 112 Ų | 112 | 91.2 Ų | 91.2 | 59% | 0.586 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66 | -41.2 | 172.4 | -169.6 | 148.6 | 0 | 0 | 0 | 112 | S53 L54 T60 A61 | S53-L57 WeakPolarHBondContact O-CB 3.04Å; S53-L57 PolarHBondContact O-N 3.44Å; L54-L57 PolarHBondContact O-N 2.85Å; L57-T60 WeakPolarHBondContact CA-OG1 3.46Å; L57-T60 PolarHBondContact O-OG1 3.42Å; L57-T60 VanDerWaalsContact O-OG1 3.13Å; L57-A61 VanDerWaalsContact O-CB 3.23Å; L57-A61 WeakPolarHBondContact O-CB 3.09Å; L57-A61 PolarHBondContact O-N 3.14Å |
| 58 | V | 85.7 | Confident | 76.1 | Confident | 69 Ų | 69 | 87.5 Ų | 87.5 | 42% | 0.418 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.8 | -45.8 | 174.3 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | L54 L55 T60 A61 C62 | L54-V58 HydrophobicContact CD2-CG2 3.98Å; L54-V58 WeakPolarHBondContact O-CB 3.43Å; L54-V58 WeakPolarHBondContact O-CG2 3.36Å; L54-V58 PolarHBondContact O-N 3.11Å; L55-V58 PolarHBondContact O-N 3.22Å; V58-T60 VanDerWaalsContact C-N 3.35Å; V58-T60 PolarHBondContact O-N 2.92Å; V58-A61 PolarHBondContact O-N 2.92Å; V58-C62 WeakPolarHBondContact O-CB 3.43Å; V58-C62 PolarHBondContact O-N 2.98Å; V58-C62 PolarHBondContact O-SG 3.01Å; V58-C62 VanDerWaalsContact O-SG 3.4Å |
| 59 | V | 88.2 | Confident | 78.3 | Confident | 93 Ų | 93 | 87.6 Ų | 87.6 | 56% | 0.564 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.6 | -38.6 | 178.4 | 168.4 | 0 | 0 | 0 | 0 | 111.7 | L55 G63 | L55-V59 HydrophobicContact CG-CG2 4.48Å; L55-V59 WeakPolarHBondContact O-CB 3.22Å; L55-V59 VanDerWaalsContact O-CG2 3.27Å; L55-V59 WeakPolarHBondContact O-CG2 2.92Å; L55-V59 PolarHBondContact O-N 3.33Å; V59-G63 WeakPolarHBondContact O-CA 3.18Å; V59-G63 PolarHBondContact O-N 3.12Å |
| 60 | T | 87.1 | Confident | 80.3 | Confident | 83 Ų | 83 | 85.7 Ų | 85.7 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72.2 | -39.8 | 175.1 | 50.2 | 0 | 0 | 0 | 0 | 112.3 | T56 L57 V58 G63 L64 | T56-T60 WeakPolarHBondContact O-CB 3.22Å; T56-T60 WeakPolarHBondContact O-CG2 3.47Å; T56-T60 PolarHBondContact O-N 3.25Å; T56-T60 PolarHBondContact O-OG1 3.32Å; L57-T60 WeakPolarHBondContact CA-OG1 3.46Å; L57-T60 PolarHBondContact O-OG1 3.42Å; L57-T60 VanDerWaalsContact O-OG1 3.13Å; V58-T60 VanDerWaalsContact C-N 3.35Å; V58-T60 PolarHBondContact O-N 2.92Å; T60-G63 PolarHBondContact O-N 2.92Å; T60-L64 WeakPolarHBondContact O-CB 3.33Å; T60-L64 VanDerWaalsContact O-CG 3.29Å; T60-L64 WeakPolarHBondContact O-CG 3.48Å; T60-L64 PolarHBondContact O-N 3Å |
| 61 | A | 88.1 | Confident | 82 | Confident | 53 Ų | 53 | 85.2 Ų | 85.2 | 44% | 0.438 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.3 | -47.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L57 V58 L64 A65 | L57-A61 VanDerWaalsContact O-CB 3.23Å; L57-A61 WeakPolarHBondContact O-CB 3.09Å; L57-A61 PolarHBondContact O-N 3.14Å; V58-A61 PolarHBondContact O-N 2.92Å; A61-L64 PolarHBondContact O-N 2.89Å; A61-A65 WeakPolarHBondContact O-CB 3.48Å; A61-A65 PolarHBondContact O-N 3.04Å |
| 62 | C | 90.6 | Very high | 83.4 | Confident | 69 Ų | 69 | 88 Ų | 88 | 47% | 0.466 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 174.2 | -70.6 | 0 | 0 | 0 | 0 | 111.8 | V58 A65 L66 | V58-C62 WeakPolarHBondContact O-CB 3.43Å; V58-C62 PolarHBondContact O-N 2.98Å; V58-C62 PolarHBondContact O-SG 3.01Å; V58-C62 VanDerWaalsContact O-SG 3.4Å; C62-A65 PolarHBondContact O-N 3.22Å; C62-L66 WeakPolarHBondContact O-CB 3.46Å; C62-L66 VanDerWaalsContact O-CG 3.29Å; C62-L66 WeakPolarHBondContact O-CG 3.37Å; C62-L66 PolarHBondContact O-N 2.68Å |
| 63 | G | 90.8 | Very high | 84.8 | Confident | 36 Ų | 36 | 86.7 Ų | 86.7 | 37% | 0.371 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V59 T60 L66 F67 | V59-G63 WeakPolarHBondContact O-CA 3.18Å; V59-G63 PolarHBondContact O-N 3.12Å; T60-G63 PolarHBondContact O-N 2.92Å; G63-L66 PolarHBondContact O-N 3.19Å; G63-F67 VanDerWaalsContact O-CB 3.26Å; G63-F67 WeakPolarHBondContact O-CB 3.04Å; G63-F67 PolarHBondContact O-N 2.89Å |
| 64 | L | 92.1 | Very high | 85.5 | Confident | 126 Ų | 126 | 85.7 Ų | 85.7 | 66% | 0.66 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67 | -38.6 | 175.1 | -71.9 | 170.2 | 0 | 0 | 0 | 112.2 | T60 A61 F67 G68 | T60-L64 WeakPolarHBondContact O-CB 3.33Å; T60-L64 VanDerWaalsContact O-CG 3.29Å; T60-L64 WeakPolarHBondContact O-CG 3.48Å; T60-L64 PolarHBondContact O-N 3Å; A61-L64 PolarHBondContact O-N 2.89Å; L64-F67 PolarHBondContact O-N 3Å; L64-G68 PolarHBondContact O-N 2.93Å |
| 65 | A | 89.4 | Confident | 86 | Confident | 60 Ų | 60 | 88.3 Ų | 88.3 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.5 | -46.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A61 C62 F67 G68 V69 | A61-A65 WeakPolarHBondContact O-CB 3.48Å; A61-A65 PolarHBondContact O-N 3.04Å; C62-A65 PolarHBondContact O-N 3.22Å; A65-F67 VanDerWaalsContact C-N 3.34Å; A65-F67 PolarHBondContact O-N 2.81Å; A65-G68 PolarHBondContact O-N 3.07Å; A65-V69 WeakPolarHBondContact O-CG2 3.42Å; A65-V69 PolarHBondContact O-N 3.25Å |
| 66 | L | 91.2 | Very high | 86.4 | Confident | 124 Ų | 124 | 89.1 Ų | 89.1 | 65% | 0.649 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.4 | -35.6 | 175.7 | -71.5 | 172 | 0 | 0 | 0 | 112.1 | C62 G63 V69 S70 | C62-L66 WeakPolarHBondContact O-CB 3.46Å; C62-L66 VanDerWaalsContact O-CG 3.29Å; C62-L66 WeakPolarHBondContact O-CG 3.37Å; C62-L66 PolarHBondContact O-N 2.68Å; G63-L66 PolarHBondContact O-N 3.19Å; L66-V69 PolarHBondContact O-N 2.95Å; L66-S70 WeakPolarHBondContact O-CB 3.38Å; L66-S70 PolarHBondContact O-N 2.92Å |
| 67 | F | 90.5 | Very high | 86 | Confident | 126 Ų | 126 | 91 Ų | 91 | 55% | 0.553 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.2 | -40.6 | 172.2 | -174.2 | -109.7 | 0 | 0 | 0 | 111.7 | G63 L64 A65 S70 L71 | G63-F67 VanDerWaalsContact O-CB 3.26Å; G63-F67 WeakPolarHBondContact O-CB 3.04Å; G63-F67 PolarHBondContact O-N 2.89Å; L64-F67 PolarHBondContact O-N 3Å; A65-F67 VanDerWaalsContact C-N 3.34Å; A65-F67 PolarHBondContact O-N 2.81Å; F67-S70 PolarHBondContact O-N 2.83Å; F67-L71 HydrophobicContact CD1-CD1 3.92Å; F67-L71 HydrophobicContact CD1-CG 4.4Å; F67-L71 HydrophobicContact CE1-CD1 3.49Å; F67-L71 VanDerWaalsContact CE1-CD1 3.49Å; F67-L71 HydrophobicContact CE1-CG 4.11Å; F67-L71 HydrophobicContact CE2-CG 4.48Å; F67-L71 HydrophobicContact CZ-CD1 3.92Å; F67-L71 HydrophobicContact CZ-CD2 4.33Å; F67-L71 HydrophobicContact CZ-CG 4.15Å; F67-L71 WeakPolarHBondContact O-CB 3.3Å; F67-L71 WeakPolarHBondContact O-CG 3.33Å; F67-L71 PolarHBondContact O-N 3.26Å |
| 68 | G | 89.7 | Confident | 85.2 | Confident | 37 Ų | 37 | 89.9 Ų | 89.9 | 38% | 0.381 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.1 | -45 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | L64 A65 L71 F72 | L64-G68 PolarHBondContact O-N 2.93Å; A65-G68 PolarHBondContact O-N 3.07Å; G68-L71 PolarHBondContact O-N 3.1Å; G68-F72 WeakPolarHBondContact O-CB 3.38Å; G68-F72 PolarHBondContact O-N 3.26Å |
| 69 | V | 89.7 | Confident | 83.6 | Confident | 88 Ų | 88 | 95.5 Ų | 95.5 | 53% | 0.533 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 173.5 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | A65 L66 F72 V73 | A65-V69 WeakPolarHBondContact O-CG2 3.42Å; A65-V69 PolarHBondContact O-N 3.25Å; L66-V69 PolarHBondContact O-N 2.95Å; V69-F72 PolarHBondContact O-N 2.86Å; V69-V73 HydrophobicContact CG1-CG2 4.24Å; V69-V73 WeakPolarHBondContact O-CB 3.31Å; V69-V73 VanDerWaalsContact O-CG2 3.3Å; V69-V73 WeakPolarHBondContact O-CG2 3.38Å; V69-V73 PolarHBondContact O-N 2.85Å |
| 70 | S | 85.8 | Confident | 82.1 | Confident | 63 Ų | 63 | 96.2 Ų | 96.2 | 44% | 0.441 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 176.8 | -175.9 | 0 | 0 | 0 | 0 | 112.1 | L66 F67 S74 | L66-S70 WeakPolarHBondContact O-CB 3.38Å; L66-S70 PolarHBondContact O-N 2.92Å; F67-S70 PolarHBondContact O-N 2.83Å; S70-S74 WeakPolarHBondContact O-CB 3.2Å; S70-S74 PolarHBondContact O-N 2.87Å; S70-S74 PolarHBondContact O-OG 3.35Å |
| 71 | L | 88.4 | Confident | 80.1 | Confident | 96 Ų | 96 | 96.2 Ų | 96.2 | 50% | 0.503 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 172.7 | -76.1 | 179.1 | 0 | 0 | 0 | 112 | F67 G68 S74 W75 | F67-L71 HydrophobicContact CD1-CD1 3.92Å; F67-L71 HydrophobicContact CD1-CG 4.4Å; F67-L71 HydrophobicContact CE1-CD1 3.49Å; F67-L71 VanDerWaalsContact CE1-CD1 3.49Å; F67-L71 HydrophobicContact CE1-CG 4.11Å; F67-L71 HydrophobicContact CE2-CG 4.48Å; F67-L71 HydrophobicContact CZ-CD1 3.92Å; F67-L71 HydrophobicContact CZ-CD2 4.33Å; F67-L71 HydrophobicContact CZ-CG 4.15Å; F67-L71 WeakPolarHBondContact O-CB 3.3Å; F67-L71 WeakPolarHBondContact O-CG 3.33Å; F67-L71 PolarHBondContact O-N 3.26Å; G68-L71 PolarHBondContact O-N 3.1Å; L71-S74 PolarHBondContact O-N 3.01Å; L71-W75 VanDerWaalsContact O-CB 3.24Å; L71-W75 WeakPolarHBondContact O-CB 3.4Å; L71-W75 PolarHBondContact O-N 3.44Å |
| 72 | F | 85.1 | Confident | 78 | Confident | 142 Ų | 142 | 105.1 Ų | 105.1 | 62% | 0.623 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66 | -43 | 176.3 | -177.3 | -99.1 | 0 | 0 | 0 | 112.1 | G68 V69 W75 K76 | G68-F72 WeakPolarHBondContact O-CB 3.38Å; G68-F72 PolarHBondContact O-N 3.26Å; V69-F72 PolarHBondContact O-N 2.86Å; F72-W75 PolarHBondContact O-N 2.88Å; F72-K76 WeakPolarHBondContact O-CB 3.19Å; F72-K76 PolarHBondContact O-N 2.66Å |
| 73 | V | 85.1 | Confident | 75.8 | Confident | 65 Ų | 65 | 112.9 Ų | 112.9 | 39% | 0.394 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.1 | -42.8 | 175.5 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | V69 K76 L77 | V69-V73 HydrophobicContact CG1-CG2 4.24Å; V69-V73 WeakPolarHBondContact O-CB 3.31Å; V69-V73 VanDerWaalsContact O-CG2 3.3Å; V69-V73 WeakPolarHBondContact O-CG2 3.38Å; V69-V73 PolarHBondContact O-N 2.85Å; V73-K76 PolarHBondContact O-N 3.03Å; V73-L77 HydrophobicContact CG1-CD1 3.65Å; V73-L77 HydrophobicContact CG1-CG 4.19Å; V73-L77 WeakPolarHBondContact O-CB 3.41Å; V73-L77 VanDerWaalsContact O-CG 3.28Å; V73-L77 WeakPolarHBondContact O-CG 3.49Å; V73-L77 PolarHBondContact O-N 3.09Å |
| 74 | S | 81.4 | Confident | 73.6 | Confident | 55 Ų | 55 | 119.7 Ų | 119.7 | 39% | 0.385 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.5 | -37.9 | 175.1 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | S70 L71 L77 C78 | S70-S74 WeakPolarHBondContact O-CB 3.2Å; S70-S74 PolarHBondContact O-N 2.87Å; S70-S74 PolarHBondContact O-OG 3.35Å; L71-S74 PolarHBondContact O-N 3.01Å; S74-L77 PolarHBondContact O-N 3.17Å; S74-C78 WeakPolarHBondContact O-CB 3.32Å; S74-C78 PolarHBondContact O-N 3.15Å; S74-C78 PolarHBondContact O-SG 2.9Å |
| 75 | W | 77.9 | Confident | 70.9 | Confident | 161 Ų | 161 | 125.1 Ų | 125.1 | 61% | 0.61 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -59.5 | -51.6 | 170.8 | -178.7 | -73.1 | 0 | 0 | 0 | 110.6 | L71 F72 L77 C78 W79 | L71-W75 VanDerWaalsContact O-CB 3.24Å; L71-W75 WeakPolarHBondContact O-CB 3.4Å; L71-W75 PolarHBondContact O-N 3.44Å; F72-W75 PolarHBondContact O-N 2.88Å; W75-L77 PolarHBondContact O-N 2.97Å; W75-C78 PolarHBondContact O-N 3.26Å; W75-W79 AromaticContact CE2-NE1 3.96Å; W75-W79 AromaticContact CZ2-CE2 3.93Å; W75-W79 AromaticContact CZ2-CZ2 3.88Å; W75-W79 HydrophobicContact CZ2-CZ2 3.88Å; W75-W79 AromaticContact CZ2-NE1 3.95Å; W75-W79 AromaticContact NE1-CD2 3.94Å; W75-W79 AromaticContact NE1-CE2 3.92Å; W75-W79 WeakPolarHBondContact O-CB 3.49Å; W75-W79 PolarHBondContact O-N 2.95Å |
| 76 | K | 78.6 | Confident | 68.3 | Low | 137 Ų | 137 | 126 Ų | 126 | 60% | 0.596 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -57.3 | -43.3 | 176.5 | -105.3 | -81 | -172.6 | 168 | 0 | 112.7 | F72 V73 V80 | F72-K76 WeakPolarHBondContact O-CB 3.19Å; F72-K76 PolarHBondContact O-N 2.66Å; V73-K76 PolarHBondContact O-N 3.03Å; K76-V80 WeakPolarHBondContact O-CG2 3.46Å |
| 77 | L | 69.5 | Low | 65.5 | Low | 116 Ų | 116 | 128.5 Ų | 128.5 | 61% | 0.607 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -80.4 | -28.8 | -177 | -69.5 | 176.3 | 0 | 0 | 0 | 113.5 | V73 S74 W75 P81 | V73-L77 HydrophobicContact CG1-CD1 3.65Å; V73-L77 HydrophobicContact CG1-CG 4.19Å; V73-L77 WeakPolarHBondContact O-CB 3.41Å; V73-L77 VanDerWaalsContact O-CG 3.28Å; V73-L77 WeakPolarHBondContact O-CG 3.49Å; V73-L77 PolarHBondContact O-N 3.09Å; S74-L77 PolarHBondContact O-N 3.17Å; W75-L77 PolarHBondContact O-N 2.97Å; L77-P81 WeakPolarHBondContact O-CD 3.44Å |
| 78 | C | 64.3 | Low | 63.1 | Low | 89 Ų | 89 | 128.1 Ų | 128.1 | 60% | 0.601 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -85.1 | -21.8 | 176 | -67.6 | 0 | 0 | 0 | 0 | 113.3 | S74 W75 | S74-C78 WeakPolarHBondContact O-CB 3.32Å; S74-C78 PolarHBondContact O-N 3.15Å; S74-C78 PolarHBondContact O-SG 2.9Å; W75-C78 PolarHBondContact O-N 3.26Å |
| 79 | W | 51.9 | Low | 60.1 | Low | 187 Ų | 187 | 132.6 Ų | 132.6 | 71% | 0.708 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -74.7 | -27.7 | 172.6 | -100.8 | 37.9 | 0 | 0 | 0 | 114 | W75 | W75-W79 AromaticContact CE2-NE1 3.96Å; W75-W79 AromaticContact CZ2-CE2 3.93Å; W75-W79 AromaticContact CZ2-CZ2 3.88Å; W75-W79 HydrophobicContact CZ2-CZ2 3.88Å; W75-W79 AromaticContact CZ2-NE1 3.95Å; W75-W79 AromaticContact NE1-CD2 3.94Å; W75-W79 AromaticContact NE1-CE2 3.92Å; W75-W79 WeakPolarHBondContact O-CB 3.49Å; W75-W79 PolarHBondContact O-N 2.95Å |
| 80 | V | 56.9 | Low | 57.2 | Low | 108 Ų | 108 | 131.5 Ų | 131.5 | 66% | 0.655 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -69.3 | -44.9 | -175.4 | 166.8 | 0 | 0 | 0 | 0 | 113.9 | K76 W82 | K76-V80 WeakPolarHBondContact O-CG2 3.46Å; V80-W82 VanDerWaalsContact C-N 3.31Å; V80-W82 PolarHBondContact O-N 2.88Å |
| 81 | P | 45.3 | Very low | 54.5 | Low | 83 Ų | 83 | 134.2 Ų | 134.2 | 54% | 0.539 | 70% | 0.699 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.7 | -13.5 | -173.5 | -20.8 | 33.6 | 0 | 0 | 0 | 115.8 | L77 | L77-P81 WeakPolarHBondContact O-CD 3.44Š|
| 82 | W | 44.5 | Very low | 51.7 | Low | 240 Ų | 240 | 137.5 Ų | 137.5 | 91% | 0.909 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 5.5 | -172.4 | -91.4 | 64.3 | 0 | 0 | 0 | 114.8 | V80 | V80-W82 VanDerWaalsContact C-N 3.31Å; V80-W82 PolarHBondContact O-N 2.88Å |
| 83 | R | 44.3 | Very low | 49.1 | Very low | 231 Ų | 231 | 136 Ų | 136 | 87% | 0.872 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -95.3 | -9.2 | 174.2 | -147.2 | 173.3 | -171 | -116.5 | 0.8 | 114.5 | ||
| 84 | E | 43.4 | Very low | 46.4 | Very low | 179 Ų | 179 | 140 Ų | 140 | 84% | 0.836 | 73% | 0.726 | S | S | * | * | trans | -128.1 | 73.2 | -178.9 | -70.2 | -165 | -161.8 | 0 | 0 | 113.8 | ||||
| 85 | R | 35.7 | Very low | 43.8 | Very low | 240 Ų | 240 | 144.2 Ų | 144.2 | 91% | 0.906 | 75% | 0.745 | S | S | * | * | trans | -141.5 | 73.2 | 154.2 | -72.4 | -163 | 179.7 | 179.6 | 1.1 | 111.3 | ||||
| 86 | G | 34.7 | Very low | 41.5 | Very low | 80 Ų | 80 | 145.3 Ų | 145.3 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 138.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 87 | L | 32.9 | Very low | 39 | Very low | 175 Ų | 175 | 147.6 Ų | 147.6 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -90 | 145.2 | 168.5 | -80 | 166.4 | 0 | 0 | 0 | 110.2 | ||
| 88 | P | 39.7 | Very low | 37.7 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 159.4 | -163.8 | 38.1 | -37.1 | 0 | 0 | 0 | 115.4 | ||
| 89 | S | 27.9 | Very low | 35.9 | Very low | 131 Ų | 131 | 149.6 Ų | 149.6 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | trans | 138 | 128.9 | 152.5 | -172.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 90 | G | 28.5 | Very low | 34.6 | Very low | 64 Ų | 64 | 148 Ų | 148 | 66% | 0.66 | 79% | 0.786 | S | S | * | * | cis | 165.9 | 147.5 | -6.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 91 | S | 28.6 | Very low | 33 | Very low | 120 Ų | 120 | 153 Ų | 153 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | 67 | 147 | 179.8 | -95.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 92 | K | 30.6 | Very low | 32.2 | Very low | 166 Ų | 166 | 153.3 Ų | 153.3 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | cis | -158.4 | 151 | 3.2 | -141.8 | -174 | 175.5 | -116.7 | 0 | 112.9 | ||||
| 93 | D | 30 | Very low | 31.4 | Very low | 110 Ų | 110 | 148.6 Ų | 148.6 | 59% | 0.588 | 79% | 0.787 | S | S | * | * | trans | 43.9 | 121.7 | 157.7 | -53.8 | -21.7 | 0 | 0 | 0 | 123 | ||||
| 94 | N | 27.8 | Very low | 30.7 | Very low | 148 Ų | 148 | 143.3 Ų | 143.3 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | 44.7 | 136.3 | 141.1 | -54.5 | -13.9 | 0 | 0 | 0 | 120.5 | ||||
| 95 | N | 27 | Very low | 30 | Very low | 145 Ų | 145 | 142.8 Ų | 142.8 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | cis | -169.8 | 175.6 | 40.3 | -144.4 | -1.2 | 0 | 0 | 0 | 113.1 | ||||
| 96 | Q | 30.1 | Very low | 29.7 | Very low | 183 Ų | 183 | 137.2 Ų | 137.2 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | 81.7 | 129.5 | 165.5 | -69.4 | 179.1 | -34.8 | 0 | 0 | 121.2 | ||||
| 97 | E | 26.1 | Very low | 29.3 | Very low | 185 Ų | 185 | 139.6 Ų | 139.6 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | -83.9 | -176.3 | 172.2 | -68.7 | -169.1 | 110.9 | 0 | 0 | 111.7 | ||||
| 98 | P | 41.8 | Very low | 29.1 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | cis | -148.7 | -173.1 | 16.6 | 46 | -25.1 | 0 | 0 | 0 | 119.9 | ||||
| 99 | L | 26.1 | Very low | 28.6 | Very low | 141 Ų | 141 | 140.8 Ų | 140.8 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | trans | 88 | 100.1 | 153.5 | -74.5 | 165.4 | 0 | 0 | 0 | 121.3 | ||||
| 100 | N | 25.4 | Very low | 28.6 | Very low | 154 Ų | 154 | 142.8 Ų | 142.8 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | 77.4 | 134.3 | 129 | -71 | 12.9 | 0 | 0 | 0 | 122.9 | |||||
| 101 | Y | 23.4 | Very low | 28.5 | Very low | 211 Ų | 211 | 147.5 Ų | 147.5 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | trans | -117.8 | 141.3 | 179.2 | -128.6 | -120.6 | 0 | 0 | 0 | 108.9 | ||||
| 102 | T | 27.5 | Very low | 28.5 | Very low | 90 Ų | 90 | 146.5 Ų | 146.5 | 55% | 0.552 | 75% | 0.754 | S | S | * | * | trans | 51.3 | 134.6 | 137.8 | 60.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 103 | D | 27.9 | Very low | 28.5 | Very low | 142 Ų | 142 | 147.5 Ų | 147.5 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | 47.9 | 151 | 111.9 | -37.5 | -33.5 | 0 | 0 | 0 | 119.5 | |||||
| 104 | T | 29.8 | Very low | 28.5 | Very low | 120 Ų | 120 | 149.7 Ų | 149.7 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | cis | -140.9 | 152.9 | 40.2 | 25.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 105 | E | 29.3 | Very low | 28.7 | Very low | 167 Ų | 167 | 150.9 Ų | 150.9 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | 45.4 | 134.4 | 93.5 | -54.7 | -166.7 | 149.8 | 0 | 0 | 115.9 | |||||
| 106 | T | 29.2 | Very low | 28.9 | Very low | 124 Ų | 124 | 151.9 Ų | 151.9 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | cis | -166.4 | 169.3 | -5.2 | 18.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 107 | N | 26.7 | Very low | 28.7 | Very low | 129 Ų | 129 | 149.8 Ų | 149.8 | 69% | 0.69 | 77% | 0.77 | S | S | * | * | trans | 120.6 | 149.7 | 130.8 | -149.1 | 27 | 0 | 0 | 0 | 120.1 | ||||
| 108 | E | 28.6 | Very low | 29.8 | Very low | 155 Ų | 155 | 146.4 Ų | 146.4 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | trans | 56.4 | 85 | 158.8 | -84.7 | 155 | -141 | 0 | 0 | 122.3 | ||||
| 109 | Q | 28.4 | Very low | 30 | Very low | 165 Ų | 165 | 146.8 Ų | 146.8 | 77% | 0.771 | 77% | 0.767 | S | S | * | * | 51.6 | 138.9 | 110 | -157.2 | 164.3 | -40.9 | 0 | 0 | 123.3 | |||||
| 110 | E | 28.2 | Very low | 30.1 | Very low | 172 Ų | 172 | 146 Ų | 146 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | 74 | 135.7 | 164 | -87.9 | 158 | -123.1 | 0 | 0 | 119.8 | ||||
| 111 | N | 25.5 | Very low | 30.5 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | trans | -151.5 | 134.2 | -176.6 | 177.5 | 21.1 | 0 | 0 | 0 | 108.4 | ||||
| 112 | S | 29.5 | Very low | 30.8 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | trans | -138.9 | 111 | -179.9 | 58.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 113 | E | 31.2 | Very low | 31.5 | Very low | 186 Ų | 186 | 140.7 Ų | 140.7 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | trans | 32 | 113.9 | 147.2 | -56.8 | 179.8 | 128.5 | 0 | 0 | 118.9 | ||||
| 114 | D | 28.1 | Very low | 31.6 | Very low | 157 Ų | 157 | 141.3 Ų | 141.3 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | 154.8 | 175.3 | 85.7 | -147.1 | -13.9 | 0 | 0 | 0 | 112.5 | |||||
| 115 | F | 33.9 | Very low | 31.8 | Very low | 172 Ų | 172 | 140.6 Ų | 140.6 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | -88.3 | 155.1 | -174.6 | -99 | -111.7 | 0 | 0 | 0 | 115.2 | ||||
| 116 | L | 29.8 | Very low | 31.8 | Very low | 166 Ų | 166 | 136.9 Ų | 136.9 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | 172.5 | 151.7 | 117.9 | -88.8 | 164.6 | 0 | 0 | 0 | 113.7 | |||||
| 117 | D | 26.8 | Very low | 31.9 | Very low | 139 Ų | 139 | 138 Ų | 138 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | -89 | -179.5 | -176.1 | -69.7 | -66.5 | 0 | 0 | 0 | 114.6 | ||||
| 118 | P | 49.2 | Very low | 32.3 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | cis | -125.6 | -137.4 | -18.4 | 28.5 | -2.8 | 0 | 0 | 0 | 109.6 | ||||
| 119 | P | 44.8 | Very low | 32.5 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | cis | -134.2 | -92.9 | -14.1 | 36.1 | -11.7 | 0 | 0 | 0 | 117.4 | ||||
| 120 | T | 28.8 | Very low | 32.8 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 76% | 0.761 | 76% | 0.759 | S | S | * | * | trans | -156 | 169.5 | -160 | 27.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 121 | P | 34 | Very low | 33.2 | Very low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | cis | -135.4 | -179.2 | 22 | 43.1 | -25 | 0 | 0 | 0 | 117.9 | ||||
| 122 | C | 28.7 | Very low | 33.6 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 78% | 0.777 | 75% | 0.754 | S | S | * | * | trans | -82.9 | 177 | 175.3 | -48.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 123 | P | 43.2 | Very low | 34.1 | Very low | 109 Ų | 109 | 134 Ų | 134 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | -148.7 | 163.8 | 89.6 | 40.4 | -24.3 | 0 | 0 | 0 | 117.4 | |||||
| 124 | D | 30.3 | Very low | 34.7 | Very low | 154 Ų | 154 | 131.1 Ų | 131.1 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | trans | 51 | 145.1 | 145 | -65.2 | -21.3 | 0 | 0 | 0 | 123.3 | ||||
| 125 | S | 32.8 | Very low | 34.9 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | cis | -174.1 | -172.5 | -13.2 | 61.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 126 | S | 29.3 | Very low | 35.2 | Very low | 89 Ų | 89 | 130.5 Ų | 130.5 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | cis | -161.4 | 162 | 2.7 | 77.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 127 | M | 32 | Very low | 35.4 | Very low | 149 Ų | 149 | 128.2 Ų | 128.2 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | 63.6 | 145.6 | 153.6 | -59.7 | -156.8 | -156.2 | 0 | 0 | 120.9 | ||||
| 128 | K | 35.2 | Very low | 35.9 | Very low | 157 Ų | 157 | 129.8 Ų | 129.8 | 68% | 0.683 | 76% | 0.761 | S | S | * | * | cis | -170.5 | 147.3 | -12.6 | -113.4 | 176.8 | -176.9 | 169.6 | 0 | 111.4 | ||||
| 129 | I | 32.5 | Very low | 35 | Very low | 141 Ų | 141 | 130.1 Ų | 130.1 | 72% | 0.723 | 77% | 0.766 | S | S | * | * | trans | 67.3 | 146.1 | 148.1 | -64.1 | 167.1 | 0 | 0 | 0 | 116 | ||||
| 130 | S | 34.4 | Very low | 34.4 | Very low | 94 Ų | 94 | 128.8 Ų | 128.8 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | cis | -132.1 | 149.5 | 11.2 | 52.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 131 | H | 36.5 | Very low | 34.5 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | 38.4 | 135 | 91.7 | -50.6 | -80.9 | 0 | 0 | 0 | 115.6 | |||||
| 132 | T | 34.3 | Very low | 34.3 | Very low | 132 Ų | 132 | 132 Ų | 132 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | cis | -140.5 | 162.4 | 13.8 | 46.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 133 | S | 40.6 | Very low | 34.3 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -121.2 | 161.7 | 159.3 | -52.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 134 | P | 42.9 | Very low | 33.6 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -126.5 | 120.5 | 156.2 | 34.3 | -20.6 | 0 | 0 | 0 | 112.7 | ||||
| 135 | D | 31.8 | Very low | 33.7 | Very low | 157 Ų | 157 | 131.2 Ų | 131.2 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 162.1 | 168.8 | -85.5 | -59.7 | 0 | 0 | 0 | 112.4 | ||
| 136 | I | 41.4 | Very low | 33.5 | Very low | 160 Ų | 160 | 132.7 Ų | 132.7 | 82% | 0.821 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -90 | 128.1 | -174.6 | -58.8 | 166 | 0 | 0 | 0 | 111.2 | ||
| 137 | P | 34.7 | Very low | 33.8 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 132.4 | 166 | 32.9 | -30.8 | 0 | 0 | 0 | 111.9 | ||
| 138 | L | 37.1 | Very low | 33.6 | Very low | 172 Ų | 172 | 134 Ų | 134 | 90% | 0.901 | 77% | 0.774 | S | S | * | * | trans | -106.9 | 129.8 | 166.7 | -97.8 | 164.9 | 0 | 0 | 0 | 109.6 | ||||
| 139 | S | 29.9 | Very low | 33.3 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -153 | 147 | 167.2 | 62.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 140 | A | 31.9 | Very low | 33.4 | Very low | 88 Ų | 88 | 133.4 Ų | 133.4 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -140.8 | 141.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 141 | Q | 31.6 | Very low | 33.2 | Very low | 181 Ų | 181 | 132.2 Ų | 132.2 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | 178.2 | 150.9 | 136.5 | -101.4 | 166.4 | 90.6 | 0 | 0 | 113.4 | ||||
| 142 | T | 29.2 | Very low | 32.9 | Very low | 131 Ų | 131 | 131.9 Ų | 131.9 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 18.2 | 139.3 | 150.9 | 59.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 143 | G | 28.3 | Very low | 32.8 | Very low | 69 Ų | 69 | 135.9 Ų | 135.9 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | cis | 157.8 | -178.9 | -0 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 144 | V | 29.8 | Very low | 32.5 | Very low | 131 Ų | 131 | 137.4 Ų | 137.4 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | 70.7 | 96.4 | 165.7 | -178.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 145 | Q | 31 | Very low | 32 | Very low | 160 Ų | 160 | 138.9 Ų | 138.9 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | 92.4 | 141 | 104.9 | -162 | 161.5 | -16.1 | 0 | 0 | 111.7 | |||||
| 146 | E | 30 | Very low | 32.1 | Very low | 136 Ų | 136 | 141.4 Ų | 141.4 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | cis | -156.9 | 146.9 | 26.1 | -159 | 160.1 | -113 | 0 | 0 | 114.4 | ||||
| 147 | N | 33.5 | Very low | 31.5 | Very low | 143 Ų | 143 | 141.7 Ų | 141.7 | 77% | 0.765 | 79% | 0.792 | S | S | * | * | trans | 50.7 | 158.9 | 155.1 | -68.4 | -21.2 | 0 | 0 | 0 | 121.1 | ||||
| 148 | C | 28.9 | Very low | 31.8 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | cis | -144.5 | 177.4 | 16.3 | -153.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 149 | A | 28.9 | Very low | 31.7 | Very low | 81 Ų | 81 | 140.7 Ų | 140.7 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | trans | -79.2 | 159.1 | -167 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 150 | H | 33.9 | Very low | 31.7 | Very low | 203 Ų | 203 | 143.5 Ų | 143.5 | 94% | 0.94 | 79% | 0.79 | S | S | * | * | -160.8 | 160.7 | 121.8 | -101.6 | 74.6 | 0 | 0 | 0 | 108.9 | |||||
| 151 | G | 30.1 | Very low | 32.5 | Very low | 69 Ų | 69 | 144.4 Ų | 144.4 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | -161.4 | 175.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 152 | V | 30.6 | Very low | 32.6 | Very low | 157 Ų | 157 | 141.5 Ų | 141.5 | 95% | 0.952 | 78% | 0.784 | S | S | * | * | trans | -162.8 | 157.8 | 163.2 | 126.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 153 | R | 32.1 | Very low | 32.7 | Very low | 217 Ų | 217 | 140.5 Ų | 140.5 | 82% | 0.819 | 78% | 0.782 | S | S | * | * | trans | -122 | 158.5 | -178.7 | 167 | -173.7 | 176.1 | -172.2 | 1 | 108.2 | ||||
| 154 | V | 34.7 | Very low | 33 | Very low | 142 Ų | 142 | 143.3 Ų | 143.3 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | 166.2 | 169.3 | 139.8 | 154.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 155 | Q | 32.8 | Very low | 33.2 | Very low | 157 Ų | 157 | 141.3 Ų | 141.3 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -144.2 | 148.5 | -159.7 | -174.5 | -167.7 | -1.7 | 0 | 0 | 109.8 | ||||
| 156 | R | 33.2 | Very low | 33.4 | Very low | 210 Ų | 210 | 145.5 Ų | 145.5 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | trans | 84.5 | 143.2 | 152 | -128.6 | 179.2 | -168.1 | -170.9 | 5.7 | 121.4 | ||||
| 157 | Q | 30.3 | Very low | 33.9 | Very low | 165 Ų | 165 | 147.3 Ų | 147.3 | 77% | 0.771 | 81% | 0.805 | S | S | * | * | trans | 102.3 | 164.7 | 138.8 | -137.1 | 149.5 | -38.9 | 0 | 0 | 119.4 | ||||
| 158 | V | 39.6 | Very low | 33.9 | Very low | 130 Ų | 130 | 147.1 Ų | 147.1 | 79% | 0.788 | 80% | 0.804 | S | S | * | * | trans | -133.7 | 142.3 | -147 | 171.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 159 | T | 34.6 | Very low | 34.2 | Very low | 138 Ų | 138 | 145.2 Ų | 145.2 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | -153.8 | 132.3 | 156.8 | 45.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 160 | E | 31.1 | Very low | 34.6 | Very low | 181 Ų | 181 | 148.9 Ų | 148.9 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -90.9 | 178.3 | 152.1 | -90.5 | -167.6 | -174 | 0 | 0 | 109.6 | ||||
| 161 | P | 49.2 | Very low | 34.7 | Very low | 107 Ų | 107 | 150.4 Ų | 150.4 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | cis | -126.8 | -164.6 | 9.1 | 41.8 | -21.4 | 0 | 0 | 0 | 112.6 | ||||
| 162 | T | 32.6 | Very low | 35 | Very low | 121 Ų | 121 | 157.6 Ų | 157.6 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | -172.5 | 147.7 | 67.2 | -36.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 163 | S | 31.7 | Very low | 35.2 | Very low | 109 Ų | 109 | 158.2 Ų | 158.2 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -9.5 | 142.1 | 169.4 | 65.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 164 | S | 35.1 | Very low | 35.4 | Very low | 129 Ų | 129 | 156.1 Ų | 156.1 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | -144 | 149.4 | 128.2 | -173.1 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 165 | A | 33.3 | Very low | 35.3 | Very low | 88 Ų | 88 | 156.8 Ų | 156.8 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -134 | 145.8 | -165 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 166 | R | 35.8 | Very low | 35.5 | Very low | 249 Ų | 249 | 157.4 Ų | 157.4 | 94% | 0.94 | 81% | 0.805 | S | S | * | * | trans | -148.7 | 136.8 | 152.3 | -105.9 | 171.9 | -167.6 | -161.3 | 1.3 | 111.2 | ||||
| 167 | H | 39.5 | Very low | 35.4 | Very low | 173 Ų | 173 | 152.3 Ų | 152.3 | 80% | 0.801 | 80% | 0.802 | S | S | * | * | trans | -62.6 | 166.1 | 171.8 | -77.6 | -119.7 | 0 | 0 | 0 | 111.2 | ||||
| 168 | N | 33.3 | Very low | 35.8 | Very low | 139 Ų | 139 | 151.8 Ų | 151.8 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | cis | -151.8 | -172.3 | 16.7 | -133.3 | 1.5 | 0 | 0 | 0 | 108.7 | ||||
| 169 | S | 35.8 | Very low | 36 | Very low | 85 Ų | 85 | 150.6 Ų | 150.6 | 59% | 0.594 | 80% | 0.799 | S | S | * | * | cis | -164.6 | 150.6 | 5 | 25.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 170 | I | 36.9 | Very low | 35.9 | Very low | 158 Ų | 158 | 151.4 Ų | 151.4 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | 62.2 | 117.2 | 148.5 | -62.8 | 167.5 | 0 | 0 | 0 | 119.5 | ||||
| 171 | R | 36.2 | Very low | 36.1 | Very low | 235 Ų | 235 | 152 Ų | 152 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | -128.6 | 135.4 | 159.7 | 178 | -176.1 | -176.2 | -175.8 | 2.2 | 107.3 | ||||
| 172 | R | 36.5 | Very low | 35.4 | Very low | 219 Ų | 219 | 153 Ų | 153 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | -122.1 | 110.3 | 162 | -72.4 | -170.3 | -175.9 | -172.9 | 2.5 | 106.6 | ||||
| 173 | Q | 34.2 | Very low | 35.9 | Very low | 170 Ų | 170 | 154.8 Ų | 154.8 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | 70.4 | 104.3 | 85.9 | -77.5 | -175.4 | -44.5 | 0 | 0 | 111.8 | |||||
| 174 | L | 37.6 | Very low | 36.1 | Very low | 173 Ų | 173 | 157 Ų | 157 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -62.7 | 146.5 | 158.9 | -73.9 | 159.5 | 0 | 0 | 0 | 109 | ||||
| 175 | N | 31.7 | Very low | 36.2 | Very low | 157 Ų | 157 | 160 Ų | 160 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | trans | -140.9 | 140.7 | 165.2 | -128.7 | -9.8 | 0 | 0 | 0 | 108.5 | ||||
| 176 | L | 37.2 | Very low | 36.3 | Very low | 169 Ų | 169 | 164.3 Ų | 164.3 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | trans | -87.1 | 129.4 | 177.3 | -80.4 | 70.4 | 0 | 0 | 0 | 109.6 | ||||
| 177 | S | 32.3 | Very low | 36.3 | Very low | 104 Ų | 104 | 161.2 Ų | 161.2 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -159.1 | 124.2 | 162.4 | 51.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 178 | N | 37.7 | Very low | 36.3 | Very low | 153 Ų | 153 | 162.7 Ų | 162.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 140.4 | 172.7 | -69.7 | -5.6 | 0 | 0 | 0 | 110.8 | ||
| 179 | P | 42.9 | Very low | 36.3 | Very low | 105 Ų | 105 | 165.3 Ų | 165.3 | 68% | 0.682 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 127.5 | 151.9 | 33.4 | -26.3 | 0 | 0 | 0 | 110 | F181 | P179-F181 PolarHBondContact O-N 3.08Š|
| 180 | D | 34.2 | Very low | 36.3 | Very low | 155 Ų | 155 | 168.2 Ų | 168.2 | 83% | 0.829 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 127 | 178.8 | -63.8 | -64 | 0 | 0 | 0 | 112.2 | N182 | D180-N182 PolarHBondContact O-N 2.75Š|
| 181 | F | 33.8 | Very low | 36.3 | Very low | 195 Ų | 195 | 169.8 Ų | 169.8 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | trans | -81.5 | 96.5 | 178 | -97.8 | -94.3 | 0 | 0 | 0 | 111.5 | P179 I183 | P179-F181 PolarHBondContact O-N 3.08Å; F181-I183 PolarHBondContact O-N 3.08Å | ||
| 182 | N | 35 | Very low | 36.3 | Very low | 126 Ų | 126 | 166.1 Ų | 166.1 | 67% | 0.674 | 82% | 0.822 | S | S | * | * | trans | -82.5 | 106.1 | 176.6 | -170.7 | -8.8 | 0 | 0 | 0 | 112.1 | D180 Q184 | D180-N182 PolarHBondContact O-N 2.75Å; N182-Q184 VanDerWaalsContact C-N 3.27Å; N182-Q184 PolarHBondContact O-N 3.37Å | ||
| 183 | I | 43.2 | Very low | 36.5 | Very low | 159 Ų | 159 | 162.2 Ų | 162.2 | 82% | 0.815 | 82% | 0.823 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | 67.2 | -178.8 | -49.5 | -176.2 | 0 | 0 | 0 | 110.9 | F181 | F181-I183 PolarHBondContact O-N 3.08Š|
| 184 | Q | 36.9 | Very low | 37.2 | Very low | 157 Ų | 157 | 157.7 Ų | 157.7 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.5 | 2.2 | 176.5 | -107.1 | 167.4 | 22.7 | 0 | 0 | 116.1 | N182 | N182-Q184 VanDerWaalsContact C-N 3.27Å; N182-Q184 PolarHBondContact O-N 3.37Å |
| 185 | Q | 37.1 | Very low | 37.1 | Very low | 191 Ų | 191 | 157.8 Ų | 157.8 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -109 | -6.4 | 176.7 | -73.3 | -170.2 | -19.8 | 0 | 0 | 115.5 | Q187 | Q185-Q187 PolarHBondContact O-N 2.86Å; Q185-Q187 VanDerWaalsContact O-N 3.16Å |
| 186 | L | 34.4 | Very low | 38 | Very low | 178 Ų | 178 | 153.6 Ų | 153.6 | 93% | 0.932 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -88.7 | 43 | 177 | -155.4 | 77.5 | 0 | 0 | 0 | 113.1 | ||
| 187 | Q | 36.4 | Very low | 38.7 | Very low | 185 Ų | 185 | 155.8 Ų | 155.8 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -134.8 | 32.3 | -174.8 | -135.6 | 177 | 24.6 | 0 | 0 | 114.2 | Q185 | Q185-Q187 PolarHBondContact O-N 2.86Å; Q185-Q187 VanDerWaalsContact O-N 3.16Å | ||
| 188 | K | 38.5 | Very low | 39.6 | Very low | 203 Ų | 203 | 157.1 Ų | 157.1 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -147.3 | 43.4 | 173.2 | -151.2 | -176.3 | 178.3 | 177.8 | 0 | 116.1 | ||
| 189 | Q | 33.4 | Very low | 40.6 | Very low | 194 Ų | 194 | 156.9 Ų | 156.9 | 91% | 0.907 | 80% | 0.801 | S | S | * | * | trans | -153.1 | 61 | 162.6 | -149.8 | 167 | 8.6 | 0 | 0 | 114.9 | ||||
| 190 | E | 36.9 | Very low | 41.1 | Very low | 146 Ų | 146 | 156.2 Ų | 156.2 | 68% | 0.682 | 80% | 0.797 | S | S | * | * | trans | -118.6 | 103 | 158.2 | -72.5 | -151 | 135.5 | 0 | 0 | 110.6 | R197 | E190-R197 IonicContact OE1-CZ 3.6Å; E190-R197 IonicContact OE1-NH1 3.99Å; E190-R197 PolarHBondContact OE1-NH1 2.84Å; E190-R197 IonicContact OE1-NH2 2.76Å; E190-R197 PolarHBondContact OE1-NH2 2.89Å | ||
| 191 | Q | 36.2 | Very low | 42.1 | Very low | 192 Ų | 192 | 154.5 Ų | 154.5 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | trans | -170.6 | 138.8 | 141.4 | -106.5 | 166.7 | 28.8 | 0 | 0 | 111.4 | ||||
| 192 | L | 35.5 | Very low | 42.7 | Very low | 158 Ų | 158 | 152 Ų | 152 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 96 | 108.7 | 173.8 | -58.3 | 168.6 | 0 | 0 | 0 | 118 | ||
| 193 | T | 41.6 | Very low | 43.2 | Very low | 137 Ų | 137 | 154.6 Ų | 154.6 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | trans | 34 | 121.2 | 143.8 | 57.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 194 | G | 48.3 | Very low | 43.1 | Very low | 74 Ų | 74 | 154.3 Ų | 154.3 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | cis | 132.9 | 84.8 | -2.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 195 | I | 36.4 | Very low | 43.3 | Very low | 175 Ų | 175 | 155.6 Ų | 155.6 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -165.1 | 146.3 | 157.1 | -100 | 150.6 | 0 | 0 | 0 | 106.5 | ||
| 196 | G | 50.2 | Low | 43.4 | Very low | 69 Ų | 69 | 157.4 Ų | 157.4 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | 84.4 | 20.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 120 | I198 | G196-I198 PolarHBondContact O-N 2.86Š| ||
| 197 | R | 52.6 | Low | 43.4 | Very low | 215 Ų | 215 | 153.1 Ų | 153.1 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | -66.5 | 113.3 | 167.5 | -100.7 | -173.4 | 179.1 | 166.1 | 2.8 | 110 | E190 K199 | E190-R197 IonicContact OE1-CZ 3.6Å; E190-R197 IonicContact OE1-NH1 3.99Å; E190-R197 PolarHBondContact OE1-NH1 2.84Å; E190-R197 IonicContact OE1-NH2 2.76Å; E190-R197 PolarHBondContact OE1-NH2 2.89Å; R197-K199 PolarHBondContact O-N 3.49Å | ||
| 198 | I | 50.4 | Low | 43.6 | Very low | 132 Ų | 132 | 152.1 Ų | 152.1 | 68% | 0.677 | 76% | 0.762 | S | S | * | * | trans | -61.7 | 129.9 | 170 | -59.9 | 174.9 | 0 | 0 | 0 | 108.7 | G196 P200 Y203 | G196-I198 PolarHBondContact O-N 2.86Å; I198-P200 WeakPolarHBondContact O-CD 3.19Å; I198-Y203 HydrophobicContact CG2-CD2 4.13Å; I198-Y203 HydrophobicContact CG2-CE2 3.74Å | ||
| 199 | K | 59.7 | Low | 43.5 | Very low | 148 Ų | 148 | 149.1 Ų | 149.1 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | trans | -86.5 | 115.5 | 173.2 | -69.2 | -176 | 177.3 | -177.7 | 0 | 109.5 | R197 E201 L202 | R197-K199 PolarHBondContact O-N 3.49Å; K199-E201 PolarHBondContact O-N 3.14Å; K199-L202 HydrophobicContact CB-CD1 4.38Å; K199-L202 PolarHBondContact O-N 3.41Å; K199-L202 VanDerWaalsContact O-N 3.15Å | ||
| 200 | P | 52.9 | Low | 43.9 | Very low | 91 Ų | 91 | 147.2 Ų | 147.2 | 59% | 0.591 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -64 | -23.5 | 179.2 | 26.1 | -34.3 | 0 | 0 | 0 | 112.8 | I198 L202 Y203 | I198-P200 WeakPolarHBondContact O-CD 3.19Å; P200-L202 PolarHBondContact O-N 3.1Å; P200-Y203 PolarHBondContact O-N 3.01Å |
| 201 | E | 54.2 | Low | 43.9 | Very low | 120 Ų | 120 | 148.1 Ų | 148.1 | 56% | 0.561 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -56.9 | -28.9 | 173.9 | -52 | -51.8 | 136.5 | 0 | 0 | 113.8 | K199 Y203 K204 | K199-E201 PolarHBondContact O-N 3.14Å; E201-Y203 PolarHBondContact O-N 3.07Å; E201-K204 IonicContact OE1-NZ 3.64Å; E201-K204 WeakPolarHBondContact OE2-CE 3.35Å; E201-K204 IonicContact OE2-NZ 2.7Å; E201-K204 PolarHBondContact OE2-NZ 2.8Å |
| 202 | L | 46.6 | Very low | 44 | Very low | 143 Ų | 143 | 145.8 Ų | 145.8 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -77 | -8.5 | 175.7 | -79.9 | 166.7 | 0 | 0 | 0 | 113.6 | K199 P200 | K199-L202 HydrophobicContact CB-CD1 4.38Å; K199-L202 PolarHBondContact O-N 3.41Å; K199-L202 VanDerWaalsContact O-N 3.15Å; P200-L202 PolarHBondContact O-N 3.1Å |
| 203 | Y | 45.5 | Very low | 43.9 | Very low | 179 Ų | 179 | 141.2 Ų | 141.2 | 70% | 0.702 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -117.7 | 19.4 | -178.1 | -67.6 | -88.5 | 0 | 0 | 0 | 112.6 | I198 P200 E201 Q205 | I198-Y203 HydrophobicContact CG2-CD2 4.13Å; I198-Y203 HydrophobicContact CG2-CE2 3.74Å; P200-Y203 PolarHBondContact O-N 3.01Å; E201-Y203 PolarHBondContact O-N 3.07Å; Y203-Q205 PolarHBondContact O-N 3.3Å |
| 204 | K | 41.6 | Very low | 44.1 | Very low | 153 Ų | 153 | 146.5 Ų | 146.5 | 67% | 0.665 | 75% | 0.751 | S | S | * | * | trans | -70.3 | 82.3 | 167.5 | -82.2 | 177.3 | 173 | 165.3 | 0 | 110.4 | E201 R206 | E201-K204 IonicContact OE1-NZ 3.64Å; E201-K204 WeakPolarHBondContact OE2-CE 3.35Å; E201-K204 IonicContact OE2-NZ 2.7Å; E201-K204 PolarHBondContact OE2-NZ 2.8Å; K204-R206 PolarHBondContact O-N 3.07Å | ||
| 205 | Q | 40.7 | Very low | 43.5 | Very low | 185 Ų | 185 | 151.4 Ų | 151.4 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 130.1 | 163.4 | -174.3 | 171.8 | -21 | 0 | 0 | 109 | Y203 S207 | Y203-Q205 PolarHBondContact O-N 3.3Å; Q205-S207 PolarHBondContact O-N 3.22Å |
| 206 | R | 39 | Very low | 43.7 | Very low | 229 Ų | 229 | 148.1 Ų | 148.1 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 123.6 | -179.4 | -73.2 | -179.6 | 176.8 | 158.3 | 0.3 | 109.5 | K204 L208 | K204-R206 PolarHBondContact O-N 3.07Å; R206-L208 PolarHBondContact O-N 3.41Å |
| 207 | S | 34.2 | Very low | 43 | Very low | 88 Ų | 88 | 152.2 Ų | 152.2 | 62% | 0.615 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 127.3 | 164.1 | 57.1 | 0 | 0 | 0 | 0 | 108.1 | Q205 D209 | Q205-S207 PolarHBondContact O-N 3.22Å; S207-D209 WeakPolarHBondContact CB-OD2 3.29Å; S207-D209 PolarHBondContact O-N 3.42Å; S207-D209 PolarHBondContact OG-OD2 2.91Å |
| 208 | L | 41.8 | Very low | 42.8 | Very low | 163 Ų | 163 | 146.5 Ų | 146.5 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | trans | -89.1 | 66.7 | 173.2 | -74.5 | 170 | 0 | 0 | 0 | 108.1 | R206 N210 | R206-L208 PolarHBondContact O-N 3.41Å; L208-N210 VanDerWaalsContact C-N 3.3Å; L208-N210 PolarHBondContact O-N 3.32Å | ||
| 209 | D | 36.4 | Very low | 43.5 | Very low | 141 Ų | 141 | 146.8 Ų | 146.8 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | trans | -76.7 | 89.5 | 172.7 | -61.5 | -54.4 | 0 | 0 | 0 | 108 | S207 | S207-D209 WeakPolarHBondContact CB-OD2 3.29Å; S207-D209 PolarHBondContact O-N 3.42Å; S207-D209 PolarHBondContact OG-OD2 2.91Å | ||
| 210 | N | 40.9 | Very low | 44.3 | Very low | 154 Ų | 154 | 144.1 Ų | 144.1 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | trans | -96 | 101.1 | -175.5 | -170.8 | 86.3 | 0 | 0 | 0 | 109.1 | L208 | L208-N210 VanDerWaalsContact C-N 3.3Å; L208-N210 PolarHBondContact O-N 3.32Å | ||
| 211 | D | 37.4 | Very low | 46 | Very low | 164 Ų | 164 | 140 Ų | 140 | 88% | 0.877 | 72% | 0.719 | S | S | * | * | trans | -119.1 | 147.1 | 170.8 | -166.5 | 21.7 | 0 | 0 | 0 | 110.8 | ||||
| 212 | D | 39.1 | Very low | 47.9 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 77% | 0.77 | 70% | 0.697 | S | S | * | * | trans | -104 | 103.9 | -154.3 | -162.4 | -7.3 | 0 | 0 | 0 | 112.5 | ||||
| 213 | G | 32.7 | Very low | 50.3 | Low | 61 Ų | 61 | 131.8 Ų | 131.8 | 63% | 0.629 | 68% | 0.679 | S | S | * | * | trans | -141.3 | 101.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q215 | G213-Q215 PolarHBondContact O-N 3.32Š| ||
| 214 | R | 44.6 | Very low | 52.8 | Low | 249 Ų | 249 | 123.2 Ų | 123.2 | 94% | 0.94 | 65% | 0.645 | S | S | * | * | trans | -72.8 | 80.4 | 179.3 | -69.9 | -177.8 | 177.8 | 175.6 | -1 | 113 | ||||
| 215 | Q | 36.5 | Very low | 55.5 | Low | 177 Ų | 177 | 116.2 Ų | 116.2 | 83% | 0.827 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -143.1 | 152.2 | 163.1 | -107.6 | 158.9 | 0.4 | 0 | 0 | 111.4 | G213 N217 | G213-Q215 PolarHBondContact O-N 3.32Å; Q215-N217 PolarHBondContact O-N 2.86Å |
| 216 | S | 40.3 | Very low | 58.2 | Low | 106 Ų | 106 | 107.4 Ų | 107.4 | 74% | 0.741 | 57% | 0.574 | S | S | * | * | trans | -72.8 | 91.3 | -172 | -172.6 | 0 | 0 | 0 | 0 | 111.2 | S218 | S216-S218 PolarHBondContact O-N 2.81Å; S216-S218 PolarHBondContact OG-OG 2.8Å | ||
| 217 | N | 35.5 | Very low | 60.9 | Low | 155 Ų | 155 | 97.5 Ų | 97.5 | 83% | 0.829 | 54% | 0.538 | S | S | * | . | trans | -73 | 63.7 | 172.3 | -87.6 | -24.6 | 0 | 0 | 0 | 111.9 | Q215 K219 | Q215-N217 PolarHBondContact O-N 2.86Å; N217-K219 PolarHBondContact O-N 2.99Å | ||
| 218 | S | 49 | Very low | 63.8 | Low | 95 Ų | 95 | 93.3 Ų | 93.3 | 66% | 0.664 | 51% | 0.508 | S | S | * | . | trans | -58 | 105.1 | 160.9 | -59.7 | 0 | 0 | 0 | 0 | 107.9 | S216 A220 | S216-S218 PolarHBondContact O-N 2.81Å; S216-S218 PolarHBondContact OG-OG 2.8Å; S218-A220 PolarHBondContact O-N 2.95Å | ||
| 219 | K | 64.9 | Low | 66.3 | Low | 138 Ų | 138 | 89.5 Ų | 89.5 | 60% | 0.6 | 49% | 0.485 | S | S | * | . | trans | -58.6 | 113.6 | 177.6 | -68.3 | 178.4 | -178.4 | 174.7 | 0 | 108.3 | N217 C221 Y345 | N217-K219 PolarHBondContact O-N 2.99Å; K219-C221 PolarHBondContact O-N 2.74Å; K219-C221 VanDerWaalsContact O-N 3.08Å; K219-C221 PolarHBondContact O-SG 2.7Å; K219-C221 VanDerWaalsContact O-SG 3.35Å; K219-Y345 HydrophobicContact CB-CG 4.21Å; K219-Y345 HydrophobicContact CD-CD1 4.38Å; K219-Y345 HydrophobicContact CD-CE1 4.28Å | ||
| 220 | A | 76.4 | Confident | 69.2 | Low | 92 Ų | 92 | 83.1 Ų | 83.1 | 76% | 0.76 | 45% | 0.45 | S | S | * | . | trans | -65.7 | 111.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | S218 G222 | S218-A220 PolarHBondContact O-N 2.95Å; A220-G222 VanDerWaalsContact C-N 3.31Å | ||
| 221 | C | 89.3 | Confident | 71.7 | Confident | 3 Ų | 3 | 77.3 Ų | 77.3 | 2% | 0.02 | 42% | 0.419 | C | S | . | . | trans | -96.4 | 21.1 | -177.6 | -70.6 | 0 | 0 | 0 | 0 | 113.4 | K219 L247 P248 I319 I343 Y345 | K219-C221 PolarHBondContact O-N 2.74Å; K219-C221 VanDerWaalsContact O-N 3.08Å; K219-C221 PolarHBondContact O-SG 2.7Å; K219-C221 VanDerWaalsContact O-SG 3.35Å; C221-L247 WeakPolarHBondContact O-CD2 3.26Å; C221-P248 HydrophobicContact CB-CG 4.4Å; C221-I319 HydrophobicContact CB-CG2 4.21Å; C221-I319 PolarHBondContact SG-O 2.72Å; C221-I343 HydrophobicContact CB-CB 4.1Å; C221-I343 HydrophobicContact CB-CG2 3.78Å; C221-I343 WeakPolarHBondContact O-CD1 3.31Å; C221-Y345 VanDerWaalsContact SG-CD2 3.54Å | ||
| 222 | G | 93.8 | Very high | 74.3 | Confident | 9 Ų | 9 | 73.4 Ų | 73.4 | 9% | 0.093 | 40% | 0.404 | C | S | . | . | trans | 88.2 | -168.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A220 V245 N246 I343 | A220-G222 VanDerWaalsContact C-N 3.31Å; G222-V245 CarbonylContact C-O 3.51Å; G222-V245 WeakPolarHBondContact CA-O 3.33Å; G222-N246 WeakPolarHBondContact CA-O 3.15Å; G222-N246 PolarHBondContact N-O 2.96Å; G222-I343 PolarHBondContact O-N 3.4Å | ||
| 223 | K | 96.8 | Very high | 76.8 | Confident | 82 Ų | 82 | 74 Ų | 74 | 36% | 0.357 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 143.2 | 174 | -58.7 | -176.7 | -175.4 | -70.7 | 0 | 110.3 | A244 V245 W340 K341 D342 | K223-A244 CarbonylContact O-C 3.5Å; K223-A244 VanDerWaalsContact O-CA 3.28Å; K223-A244 WeakPolarHBondContact O-CA 3.44Å; K223-V245 HydrophobicContact CB-CG2 4.06Å; K223-V245 PolarHBondContact N-O 3.49Å; K223-V245 PolarHBondContact O-N 2.95Å; K223-W340 HydrophobicContact CB-CE3 3.87Å; K223-W340 HydrophobicContact CB-CZ3 4.11Å; K223-W340 HydrophobicContact CD-CE3 4.36Å; K223-K341 CarbonylContact C-O 3.59Å; K223-K341 VanDerWaalsContact CA-O 3.3Å; K223-K341 WeakPolarHBondContact CA-O 3.45Å; K223-D342 IonicContact NZ-OD1 2.99Å; K223-D342 PolarHBondContact NZ-OD1 3.24Å; K223-D342 IonicContact NZ-OD2 3.23Å; K223-D342 PolarHBondContact NZ-OD2 3.45Å |
| 224 | L | 97.8 | Very high | 79.7 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 136 | 172.1 | -171.7 | 65.7 | 0 | 0 | 0 | 109.6 | F226 I241 A244 V260 F305 V322 K341 I343 | L224-F226 HydrophobicContact CD2-CD1 4.11Å; L224-F226 HydrophobicContact CG-CD1 4.01Å; L224-I241 HydrophobicContact CD1-CG2 4.27Å; L224-A244 HydrophobicContact CD1-CB 3.97Å; L224-V260 HydrophobicContact CD1-CG2 4.28Å; L224-F305 HydrophobicContact CD2-CB 3.91Å; L224-F305 HydrophobicContact CD2-CD1 4.3Å; L224-F305 HydrophobicContact CD2-CD2 4.16Å; L224-F305 HydrophobicContact CD2-CG 3.87Å; L224-V322 HydrophobicContact CB-CG2 4.21Å; L224-V322 HydrophobicContact CD2-CG2 4.39Å; L224-K341 PolarHBondContact N-O 2.87Å; L224-K341 PolarHBondContact O-N 2.86Å; L224-I343 HydrophobicContact CB-CD1 4.2Å; L224-I343 HydrophobicContact CB-CG1 4.04Å |
| 225 | N | 97.9 | Very high | 82.1 | Confident | 6 Ų | 6 | 69.4 Ų | 69.4 | 3% | 0.032 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 123.2 | 171.9 | 178.5 | -132.1 | 0 | 0 | 0 | 110.9 | H242 K243 L339 W340 | N225-H242 PolarHBondContact O-N 2.99Å; N225-H242 PolarHBondContact OD1-CD2 2.79Å; N225-H242 VanDerWaalsContact OD1-CD2 3.26Å; N225-K243 WeakPolarHBondContact CA-O 3.31Å; N225-K243 HydrophobicContact CB-CG 4.16Å; N225-K243 PolarHBondContact N-O 3.34Å; N225-K243 PolarHBondContact O-N 3.04Å; N225-K243 VanDerWaalsContact O-N 3.11Å; N225-L339 WeakPolarHBondContact CA-O 3.36Å; N225-L339 PolarHBondContact ND2-O 3.38Å; N225-W340 HydrophobicContact CB-CD2 3.69Å; N225-W340 HydrophobicContact CB-CE3 3.69Å; N225-W340 HydrophobicContact CB-CG 4.43Å; N225-W340 HydrophobicContact CB-CH2 3.68Å; N225-W340 HydrophobicContact CB-CZ2 3.67Å; N225-W340 HydrophobicContact CB-CZ3 3.68Å; N225-W340 PolarHBondContact ND2-NE1 3.22Å |
| 226 | F | 97.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 163.8 | -175.2 | 58.5 | -79.9 | 0 | 0 | 0 | 108.9 | L224 L228 K240 I241 F305 V322 V324 L339 K341 | L224-F226 HydrophobicContact CD2-CD1 4.11Å; L224-F226 HydrophobicContact CG-CD1 4.01Å; F226-L228 HydrophobicContact CD2-CD2 3.93Å; F226-L228 HydrophobicContact CD2-CG 4.12Å; F226-L228 HydrophobicContact CE2-CD1 4.22Å; F226-L228 HydrophobicContact CE2-CD2 4.17Å; F226-L228 HydrophobicContact CE2-CG 4.11Å; F226-K240 CarbonylContact C-O 3.5Å; F226-K240 WeakPolarHBondContact CA-O 3.49Å; F226-K240 WeakPolarHBondContact CB-O 3.45Å; F226-I241 HydrophobicContact CB-CD1 3.99Å; F226-F305 HydrophobicContact CD1-CE2 4.26Å; F226-F305 HydrophobicContact CD1-CZ 4.43Å; F226-F305 AromaticContact CD2-CE2 3.87Å; F226-F305 HydrophobicContact CD2-CE2 3.87Å; F226-F305 AromaticContact CD2-CZ 3.58Å; F226-F305 HydrophobicContact CD2-CZ 3.58Å; F226-F305 HydrophobicContact CE1-CE2 4.02Å; F226-F305 AromaticContact CE2-CE2 3.58Å; F226-F305 HydrophobicContact CE2-CE2 3.58Å; F226-F305 AromaticContact CE2-CZ 3.74Å; F226-F305 HydrophobicContact CE2-CZ 3.74Å; F226-F305 HydrophobicContact CG-CE2 4.2Å; F226-F305 AromaticContact CG-CZ 3.96Å; F226-F305 HydrophobicContact CG-CZ 3.96Å; F226-F305 AromaticContact CZ-CE2 3.68Å; F226-F305 HydrophobicContact CZ-CE2 3.68Å; F226-F305 HydrophobicContact CZ-CZ 4.27Å; F226-V322 HydrophobicContact CE1-CG1 4.39Å; F226-V324 HydrophobicContact CE2-CG2 3.94Å; F226-V324 HydrophobicContact CZ-CG2 3.6Å; F226-L339 HydrophobicContact CD2-CB 4.35Å; F226-L339 HydrophobicContact CD2-CD1 4.41Å; F226-L339 HydrophobicContact CE1-CB 4.15Å; F226-L339 HydrophobicContact CE2-CB 3.89Å; F226-L339 HydrophobicContact CE2-CD1 3.55Å; F226-L339 HydrophobicContact CE2-CG 4.33Å; F226-L339 HydrophobicContact CZ-CB 3.76Å; F226-L339 HydrophobicContact CZ-CD1 3.88Å; F226-L339 PolarHBondContact N-O 2.93Å; F226-L339 PolarHBondContact O-N 3.29Å; F226-K341 HydrophobicContact CE1-CB 4.17Å; F226-K341 HydrophobicContact CE1-CG 3.93Å; F226-K341 HydrophobicContact CZ-CG 3.97Å |
| 227 | I | 96.3 | Very high | 87.4 | Confident | 20 Ų | 20 | 58.3 Ų | 58.3 | 10% | 0.103 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 132.1 | -176.3 | -52.7 | -178.7 | 0 | 0 | 0 | 107.9 | K240 E336 C337 I338 | I227-K240 HydrophobicContact CB-CB 4.26Å; I227-K240 HydrophobicContact CD1-CD 4.48Å; I227-K240 PolarHBondContact N-O 3.29Å; I227-K240 PolarHBondContact O-N 3.05Å; I227-E336 HydrophobicContact CG2-CG 3.28Å; I227-C337 VanDerWaalsContact CA-O 3.27Å; I227-C337 WeakPolarHBondContact CA-O 3.34Å; I227-I338 HydrophobicContact CD1-CG1 4.14Å; I227-I338 HydrophobicContact CG1-CG1 4.15Å; I227-I338 HydrophobicContact CG1-CG2 4.36Å; I227-I338 HydrophobicContact CG2-CG1 4.38Å |
| 228 | L | 95.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 139.8 | 174.4 | -55.4 | -178.1 | 0 | 0 | 0 | 109.3 | F226 V239 L303 F327 L330 R335 E336 C337 L339 | F226-L228 HydrophobicContact CD2-CD2 3.93Å; F226-L228 HydrophobicContact CD2-CG 4.12Å; F226-L228 HydrophobicContact CE2-CD1 4.22Å; F226-L228 HydrophobicContact CE2-CD2 4.17Å; F226-L228 HydrophobicContact CE2-CG 4.11Å; L228-V239 HydrophobicContact CD2-CB 4.35Å; L228-V239 HydrophobicContact CD2-CG1 4.04Å; L228-V239 HydrophobicContact CD2-CG2 3.96Å; L228-L303 HydrophobicContact CD1-CD2 4.5Å; L228-L303 HydrophobicContact CD2-CD2 3.54Å; L228-F327 HydrophobicContact CD1-CD1 4.27Å; L228-L330 HydrophobicContact CD1-CD1 4.12Å; L228-R335 VanDerWaalsContact O-O 3.07Å; L228-E336 CarbonylContact O-C 3.51Å; L228-E336 WeakPolarHBondContact O-CA 3.44Å; L228-C337 HydrophobicContact CB-CB 4.39Å; L228-C337 PolarHBondContact N-O 2.9Å; L228-C337 PolarHBondContact O-N 3.48Å; L228-L339 HydrophobicContact CD1-CD1 3.73Å; L228-L339 HydrophobicContact CG-CD1 4.12Å |
| 229 | K | 94.9 | Very high | 92.6 | Very high | 83 Ų | 83 | 47.7 Ų | 47.7 | 36% | 0.361 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 144.8 | 167 | -179.3 | -145.5 | 169.2 | -162.4 | 0 | 106.9 | D231 V238 | K229-D231 IonicContact NZ-OD2 2.7Å; K229-D231 PolarHBondContact NZ-OD2 3.13Å; K229-V238 HydrophobicContact CB-CB 4.26Å; K229-V238 PolarHBondContact N-O 3.36Å; K229-V238 WeakPolarHBondContact O-CA 3.34Å; K229-V238 WeakPolarHBondContact O-CB 3.45Å; K229-V238 PolarHBondContact O-N 2.71Å |
| 230 | Y | 95.6 | Very high | 94.1 | Very high | 8 Ų | 8 | 44 Ų | 44 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 142.1 | 165.1 | -174.9 | -97.6 | 0 | 0 | 0 | 110.6 | C232 E235 Q236 L237 V293 Y295 L298 F333 P334 | Y230-C232 HydrophobicContact CE1-CB 4.43Å; Y230-E235 WeakPolarHBondContact OH-CA 3.41Å; Y230-Q236 WeakPolarHBondContact CD2-O 3.44Å; Y230-L237 HydrophobicContact CD2-CB 4.25Å; Y230-V293 HydrophobicContact CE2-CG1 4.42Å; Y230-V293 WeakPolarHBondContact CE2-O 3.14Å; Y230-V293 PolarHBondContact OH-O 3.05Å; Y230-V293 VanDerWaalsContact OH-O 3.1Å; Y230-Y295 AromaticContact CD1-CD2 3.8Å; Y230-Y295 HydrophobicContact CD1-CD2 3.8Å; Y230-Y295 HydrophobicContact CD1-CE2 4.44Å; Y230-Y295 AromaticContact CE1-CD2 3.64Å; Y230-Y295 HydrophobicContact CE1-CD2 3.64Å; Y230-Y295 HydrophobicContact CE1-CG 4.29Å; Y230-Y295 HydrophobicContact CG-CD2 4.44Å; Y230-Y295 PolarHBondContact OH-N 2.97Å; Y230-L298 HydrophobicContact CD2-CD1 3.79Å; Y230-L298 HydrophobicContact CD2-CD2 4.43Å; Y230-L298 HydrophobicContact CE2-CD1 3.92Å; Y230-L298 HydrophobicContact CE2-CD2 4.46Å; Y230-L298 HydrophobicContact CE2-CG 4.47Å; Y230-L298 HydrophobicContact CG-CD1 4.23Å; Y230-F333 HydrophobicContact CG-CZ 4.49Å; Y230-P334 PolarHBondContact N-O 2.8Å |
| 231 | D | 94.7 | Very high | 95.2 | Very high | 32 Ų | 32 | 39.7 Ų | 39.7 | 17% | 0.171 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 105.9 | 177.4 | -152.7 | -70.3 | 0 | 0 | 0 | 109.4 | K229 D233 L234 E235 Q236 V238 | K229-D231 IonicContact NZ-OD2 2.7Å; K229-D231 PolarHBondContact NZ-OD2 3.13Å; D231-D233 PolarHBondContact OD1-N 2.9Å; D231-L234 HydrophobicContact CB-CB 4.38Å; D231-L234 PolarHBondContact OD1-N 3.2Å; D231-E235 WeakPolarHBondContact O-CA 3.4Å; D231-E235 PolarHBondContact O-N 2.76Å; D231-Q236 PolarHBondContact N-O 3.01Å; D231-Q236 PolarHBondContact O-N 3.25Å; D231-Q236 VanDerWaalsContact O-N 3.14Å; D231-V238 HydrophobicContact CB-CG2 4.39Å |
| 232 | C | 90.8 | Very high | 95.6 | Very high | 81 Ų | 81 | 41.4 Ų | 41.4 | 55% | 0.547 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -29.4 | -175 | -60.3 | 0 | 0 | 0 | 0 | 113 | Y230 | Y230-C232 HydrophobicContact CE1-CB 4.43Š|
| 233 | D | 92.8 | Very high | 95.8 | Very high | 156 Ų | 156 | 43.9 Ų | 43.9 | 83% | 0.834 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -23.3 | -177 | -58.4 | -38.5 | 0 | 0 | 0 | 111.7 | D231 | D231-D233 PolarHBondContact OD1-N 2.9Š|
| 234 | L | 93.4 | Very high | 95.8 | Very high | 107 Ų | 107 | 40 Ų | 40 | 56% | 0.56 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | 2.9 | -178.7 | -60.7 | 179.9 | 0 | 0 | 0 | 114.3 | D231 Q236 | D231-L234 HydrophobicContact CB-CB 4.38Å; D231-L234 PolarHBondContact OD1-N 3.2Å; L234-Q236 WeakPolarHBondContact O-CG 3.23Å; L234-Q236 PolarHBondContact O-N 2.98Å; L234-Q236 PolarHBondContact O-NE2 3.24Å |
| 235 | E | 94.2 | Very high | 95.8 | Very high | 107 Ų | 107 | 41.6 Ų | 41.6 | 50% | 0.5 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.9 | 51.2 | -173.8 | -62 | -162.2 | 124.2 | 0 | 0 | 114.3 | Y230 D231 V293 | Y230-E235 WeakPolarHBondContact OH-CA 3.41Å; D231-E235 WeakPolarHBondContact O-CA 3.4Å; D231-E235 PolarHBondContact O-N 2.76Å; E235-V293 CarbonylContact O-C 3.51Å; E235-V293 PolarHBondContact O-N 2.88Å; E235-V293 VanDerWaalsContact O-O 3.13Å |
| 236 | Q | 94.9 | Very high | 95.6 | Very high | 50 Ų | 50 | 47 Ų | 47 | 23% | 0.234 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 130.5 | -170.6 | -87.1 | 164 | 73.9 | 0 | 0 | 113.8 | Y230 D231 L234 F291 P292 | Y230-Q236 WeakPolarHBondContact CD2-O 3.44Å; D231-Q236 PolarHBondContact N-O 3.01Å; D231-Q236 PolarHBondContact O-N 3.25Å; D231-Q236 VanDerWaalsContact O-N 3.14Å; L234-Q236 WeakPolarHBondContact O-CG 3.23Å; L234-Q236 PolarHBondContact O-N 2.98Å; L234-Q236 PolarHBondContact O-NE2 3.24Å; Q236-F291 WeakPolarHBondContact CA-O 3.36Å; Q236-P292 HydrophobicContact CG-CB 4.26Å |
| 237 | L | 94.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 115.3 | 166.5 | 179.7 | 69 | 0 | 0 | 0 | 109.3 | Y230 V239 L264 F291 V293 F333 | Y230-L237 HydrophobicContact CD2-CB 4.25Å; L237-V239 HydrophobicContact CD2-CG2 4.17Å; L237-V239 HydrophobicContact CG-CG2 4Å; L237-L264 HydrophobicContact CD2-CD1 4.02Å; L237-F291 HydrophobicContact CB-CB 4.34Å; L237-F291 PolarHBondContact N-O 2.8Å; L237-F291 PolarHBondContact O-N 3.27Å; L237-V293 HydrophobicContact CB-CG1 3.81Å; L237-F333 HydrophobicContact CD1-CE2 3.98Å; L237-F333 HydrophobicContact CD1-CZ 4.13Å |
| 238 | V | 95.8 | Very high | 95.4 | Very high | 28 Ų | 28 | 48 Ų | 48 | 17% | 0.17 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 122.5 | 176.8 | -172.7 | 0 | 0 | 0 | 0 | 108.9 | K229 D231 V288 L290 | K229-V238 HydrophobicContact CB-CB 4.26Å; K229-V238 PolarHBondContact N-O 3.36Å; K229-V238 WeakPolarHBondContact O-CA 3.34Å; K229-V238 WeakPolarHBondContact O-CB 3.45Å; K229-V238 PolarHBondContact O-N 2.71Å; D231-V238 HydrophobicContact CB-CG2 4.39Å; V238-V288 HydrophobicContact CG1-CG1 3.71Å; V238-L290 HydrophobicContact CB-CD2 4.24Å; V238-L290 HydrophobicContact CG1-CD2 3.98Å; V238-L290 HydrophobicContact CG2-CD2 3.81Å |
| 239 | V | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 109 | -177.8 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | L228 L237 I241 F289 F291 L303 F305 | L228-V239 HydrophobicContact CD2-CB 4.35Å; L228-V239 HydrophobicContact CD2-CG1 4.04Å; L228-V239 HydrophobicContact CD2-CG2 3.96Å; L237-V239 HydrophobicContact CD2-CG2 4.17Å; L237-V239 HydrophobicContact CG-CG2 4Å; V239-I241 HydrophobicContact CG1-CD1 4.27Å; V239-F289 PolarHBondContact N-O 2.92Å; V239-F289 PolarHBondContact O-N 2.89Å; V239-F291 HydrophobicContact CB-CD2 4.47Å; V239-F291 HydrophobicContact CB-CE2 4.19Å; V239-F291 HydrophobicContact CG2-CD2 3.82Å; V239-F291 HydrophobicContact CG2-CE2 3.85Å; V239-L303 HydrophobicContact CG1-CD2 4.04Å; V239-L303 HydrophobicContact CG2-CD1 4.23Å; V239-L303 HydrophobicContact CG2-CD2 3.84Å; V239-F305 HydrophobicContact CG1-CE1 3.88Å; V239-F305 HydrophobicContact CG1-CZ 4.12Å |
| 240 | K | 97.6 | Very high | 94.8 | Very high | 61 Ų | 61 | 49.3 Ų | 49.3 | 27% | 0.265 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 120.5 | 174.4 | -179.9 | -178.3 | 177.1 | -165 | 0 | 110.8 | F226 I227 D286 E287 V288 | F226-K240 CarbonylContact C-O 3.5Å; F226-K240 WeakPolarHBondContact CA-O 3.49Å; F226-K240 WeakPolarHBondContact CB-O 3.45Å; I227-K240 HydrophobicContact CB-CB 4.26Å; I227-K240 HydrophobicContact CD1-CD 4.48Å; I227-K240 PolarHBondContact N-O 3.29Å; I227-K240 PolarHBondContact O-N 3.05Å; K240-D286 WeakPolarHBondContact CE-OD1 3.26Å; K240-D286 IonicContact NZ-OD1 2.66Å; K240-D286 PolarHBondContact NZ-OD1 2.7Å; K240-E287 CarbonylContact C-O 3.55Å; K240-E287 VanDerWaalsContact CA-O 3.31Å; K240-E287 WeakPolarHBondContact CA-O 3.47Å; K240-V288 HydrophobicContact CB-CG2 4.07Å; K240-V288 HydrophobicContact CD-CG2 4.06Å; K240-V288 HydrophobicContact CG-CG2 3.86Å |
| 241 | I | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 113.1 | 169.4 | -51.7 | -55.8 | 0 | 0 | 0 | 107.8 | L224 F226 V239 V260 I262 T274 F285 D286 E287 F289 F305 | L224-I241 HydrophobicContact CD1-CG2 4.27Å; F226-I241 HydrophobicContact CB-CD1 3.99Å; V239-I241 HydrophobicContact CG1-CD1 4.27Å; I241-V260 HydrophobicContact CG2-CG2 4.48Å; I241-I262 HydrophobicContact CD1-CD1 3.85Å; I241-I262 HydrophobicContact CG1-CD1 3.73Å; I241-T274 HydrophobicContact CB-CG2 4.28Å; I241-T274 HydrophobicContact CG1-CG2 4.17Å; I241-T274 HydrophobicContact CG2-CG2 4.34Å; I241-F285 HydrophobicContact CB-CB 4.43Å; I241-F285 HydrophobicContact CG2-CB 4.08Å; I241-F285 HydrophobicContact CG2-CD2 3.52Å; I241-F285 HydrophobicContact CG2-CE2 4.2Å; I241-F285 HydrophobicContact CG2-CG 4Å; I241-D286 CarbonylContact O-C 3.32Å; I241-D286 VanDerWaalsContact O-CA 3.25Å; I241-D286 WeakPolarHBondContact O-CA 3.42Å; I241-D286 PolarHBondContact O-N 2.96Å; I241-E287 PolarHBondContact N-O 2.99Å; I241-E287 PolarHBondContact O-N 3.41Å; I241-E287 VanDerWaalsContact O-N 3.1Å; I241-F289 HydrophobicContact CG1-CD2 4.26Å; I241-F289 HydrophobicContact CG1-CE2 3.91Å; I241-F305 HydrophobicContact CD1-CD1 3.88Å; I241-F305 HydrophobicContact CD1-CE1 3.51Å; I241-F305 HydrophobicContact CD1-CZ 4.38Å |
| 242 | H | 97.7 | Very high | 93.5 | Very high | 40 Ų | 40 | 60.7 Ų | 60.7 | 19% | 0.185 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | -63.6 | 177.6 | -179.9 | 47.3 | 0 | 0 | 0 | 110.6 | N225 V284 F285 D286 | N225-H242 PolarHBondContact O-N 2.99Å; N225-H242 PolarHBondContact OD1-CD2 2.79Å; N225-H242 VanDerWaalsContact OD1-CD2 3.26Å; H242-V284 CarbonylContact O-C 3.41Å; H242-F285 PolarHBondContact O-N 2.86Å; H242-D286 IonicContact CE1-OD1 2.66Å; H242-D286 IonicContact CE1-OD2 2.59Å; H242-D286 PolarHBondContact CE1-OD2 2.89Å; H242-D286 VanDerWaalsContact CE1-OD2 3.23Å; H242-D286 IonicContact CG-OD1 3.3Å; H242-D286 IonicContact ND1-OD1 3.36Å; H242-D286 PolarHBondContact ND1-OD1 2.87Å; H242-D286 IonicContact ND1-OD2 3.13Å; H242-D286 PolarHBondContact ND1-OD2 2.88Å; H242-D286 PolarHBondContact O-N 2.9Å; H242-D286 VanDerWaalsContact O-N 3.11Å |
| 243 | K | 97.7 | Very high | 93 | Very high | 61 Ų | 61 | 59.8 Ų | 59.8 | 27% | 0.265 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 163.4 | -175.8 | 63.6 | -168.4 | 168.5 | -140.4 | 0 | 113.1 | N225 P283 V284 W340 | N225-K243 WeakPolarHBondContact CA-O 3.31Å; N225-K243 HydrophobicContact CB-CG 4.16Å; N225-K243 PolarHBondContact N-O 3.34Å; N225-K243 PolarHBondContact O-N 3.04Å; N225-K243 VanDerWaalsContact O-N 3.11Å; K243-P283 CarbonylContact C-O 3.1Å; K243-P283 WeakPolarHBondContact CA-O 3.49Å; K243-P283 VanDerWaalsContact CB-O 3.23Å; K243-P283 WeakPolarHBondContact CB-O 3.22Å; K243-V284 HydrophobicContact CB-CB 4.34Å; K243-V284 HydrophobicContact CB-CG1 4.47Å; K243-V284 HydrophobicContact CB-CG2 4.01Å; K243-V284 HydrophobicContact CD-CG2 4.45Å; K243-W340 HydrophobicContact CG-CH2 4.43Å |
| 244 | A | 97.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 158.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | K223 L224 L247 N282 P283 F285 | K223-A244 CarbonylContact O-C 3.5Å; K223-A244 VanDerWaalsContact O-CA 3.28Å; K223-A244 WeakPolarHBondContact O-CA 3.44Å; L224-A244 HydrophobicContact CD1-CB 3.97Å; A244-L247 HydrophobicContact CB-CD1 4.15Å; A244-L247 HydrophobicContact CB-CD2 3.92Å; A244-L247 HydrophobicContact CB-CG 4.15Å; A244-N282 CarbonylContact O-C 3.56Å; A244-N282 VanDerWaalsContact O-CA 3.29Å; A244-N282 WeakPolarHBondContact O-CA 3.37Å; A244-P283 HydrophobicContact CB-CG 3.97Å; A244-P283 PolarHBondContact N-O 2.82Å; A244-F285 HydrophobicContact CB-CE2 4.35Å |
| 245 | V | 97.1 | Very high | 92.5 | Very high | 32 Ų | 32 | 51.2 Ų | 51.2 | 19% | 0.194 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 150.5 | 178.4 | -56.2 | 0 | 0 | 0 | 0 | 111.7 | G222 K223 L247 N282 W340 | G222-V245 CarbonylContact C-O 3.51Å; G222-V245 WeakPolarHBondContact CA-O 3.33Å; K223-V245 HydrophobicContact CB-CG2 4.06Å; K223-V245 PolarHBondContact N-O 3.49Å; K223-V245 PolarHBondContact O-N 2.95Å; V245-L247 VanDerWaalsContact C-N 3.28Å; V245-L247 PolarHBondContact O-N 3.09Å; V245-N282 WeakPolarHBondContact CA-OD1 3.43Å; V245-N282 WeakPolarHBondContact CB-OD1 3.5Å; V245-W340 HydrophobicContact CG1-CH2 4.03Å; V245-W340 HydrophobicContact CG1-CZ3 4.21Å; V245-W340 HydrophobicContact CG2-CH2 4.33Å; V245-W340 HydrophobicContact CG2-CZ3 3.77Å |
| 246 | N | 94.8 | Very high | 92.5 | Very high | 121 Ų | 121 | 46.1 Ų | 46.1 | 65% | 0.647 | 25% | 0.253 | S | S | * | . | S | Bend | trans | 53 | 39.5 | 177.4 | -60.1 | -21.8 | 0 | 0 | 0 | 114 | G222 L281 N282 | G222-N246 WeakPolarHBondContact CA-O 3.15Å; G222-N246 PolarHBondContact N-O 2.96Å; N246-L281 PolarHBondContact N-O 2.98Å; N246-N282 PolarHBondContact N-OD1 2.87Å |
| 247 | L | 95.5 | Very high | 92.5 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -63 | 148 | 172.1 | -59.6 | -176.6 | 0 | 0 | 0 | 110.5 | C221 A244 V245 P258 L281 P283 V307 I319 I343 | C221-L247 WeakPolarHBondContact O-CD2 3.26Å; A244-L247 HydrophobicContact CB-CD1 4.15Å; A244-L247 HydrophobicContact CB-CD2 3.92Å; A244-L247 HydrophobicContact CB-CG 4.15Å; V245-L247 VanDerWaalsContact C-N 3.28Å; V245-L247 PolarHBondContact O-N 3.09Å; L247-P258 HydrophobicContact CD1-CB 3.58Å; L247-P258 HydrophobicContact CD1-CG 3.87Å; L247-L281 HydrophobicContact CB-CB 4.46Å; L247-L281 WeakPolarHBondContact CB-O 3.37Å; L247-L281 PolarHBondContact N-O 3.24Å; L247-L281 WeakPolarHBondContact O-CB 3.37Å; L247-L281 WeakPolarHBondContact O-CD2 3.46Å; L247-P283 HydrophobicContact CD1-CG 3.85Å; L247-V307 HydrophobicContact CD1-CG1 4.38Å; L247-V307 HydrophobicContact CD2-CG1 4.3Å; L247-I319 HydrophobicContact CD1-CD1 4.43Å; L247-I319 HydrophobicContact CD2-CG2 4.28Å; L247-I343 HydrophobicContact CD2-CD1 3.43Å; L247-I343 VanDerWaalsContact CD2-CD1 3.43Å |
| 248 | P | 92.6 | Very high | 92.6 | Very high | 36 Ų | 36 | 44.6 Ų | 44.6 | 23% | 0.234 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -74.3 | 137.8 | 173.7 | 31.8 | -33.6 | 0 | 0 | 0 | 110.1 | C221 K250 S256 I319 | C221-P248 HydrophobicContact CB-CG 4.4Å; P248-K250 PolarHBondContact O-N 2.83Å; P248-S256 PolarHBondContact O-OG 2.78Å; P248-I319 HydrophobicContact CG-CG2 3.8Å |
| 249 | A | 91.3 | Very high | 92.7 | Very high | 46 Ų | 46 | 43.3 Ų | 43.3 | 38% | 0.38 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -67.1 | 127.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | G254 T255 L281 | A249-G254 VanDerWaalsContact CB-C 3.49Å; A249-T255 VanDerWaalsContact CA-O 3.3Å; A249-T255 WeakPolarHBondContact CA-O 3.23Å; A249-T255 WeakPolarHBondContact CB-O 3.09Å; A249-L281 HydrophobicContact CB-CD1 4.31Å; A249-L281 HydrophobicContact CB-CD2 4.11Å |
| 250 | K | 87.6 | Confident | 92.7 | Very high | 64 Ų | 64 | 43.3 Ų | 43.3 | 28% | 0.278 | 24% | 0.238 | S | C | . | . | trans | -107.1 | -30 | 170.6 | -53.9 | -60.2 | -153.4 | 66.1 | 0 | 112.1 | P248 T255 S256 D309 D317 L318 I319 | P248-K250 PolarHBondContact O-N 2.83Å; K250-T255 PolarHBondContact N-O 2.96Å; K250-S256 PolarHBondContact N-OG 2.95Å; K250-S256 VanDerWaalsContact N-OG 3.14Å; K250-D309 HydrophobicContact CB-CB 4.35Å; K250-D309 WeakPolarHBondContact CB-OD2 3.43Å; K250-D309 HydrophobicContact CG-CB 4.33Å; K250-D317 HydrophobicContact CB-CB 4.44Å; K250-D317 WeakPolarHBondContact CD-OD2 2.91Å; K250-D317 HydrophobicContact CG-CB 4.45Å; K250-D317 WeakPolarHBondContact CG-OD2 3.39Å; K250-D317 IonicContact NZ-OD2 3.81Å; K250-D317 PolarHBondContact NZ-OD2 3.04Å; K250-L318 PolarHBondContact NZ-O 2.86Å; K250-I319 HydrophobicContact CG-CG1 4.16Å | ||
| 251 | D | 83.2 | Confident | 92.6 | Very high | 54 Ų | 54 | 42.3 Ų | 42.3 | 29% | 0.289 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -63.9 | 142.5 | 178.7 | -141.6 | 17.6 | 0 | 0 | 0 | 112 | S253 G254 T255 | D251-S253 WeakPolarHBondContact CB-OG 3.29Å; D251-S253 VanDerWaalsContact CG-OG 3.3Å; D251-S253 PolarHBondContact O-N 2.7Å; D251-S253 VanDerWaalsContact OD2-CB 3.24Å; D251-S253 WeakPolarHBondContact OD2-CB 3.3Å; D251-S253 PolarHBondContact OD2-OG 2.93Å; D251-G254 PolarHBondContact O-N 2.89Å; D251-T255 WeakPolarHBondContact CB-O 3.47Å; D251-T255 PolarHBondContact N-O 2.93Å |
| 252 | F | 78.8 | Confident | 92.4 | Very high | 225 Ų | 225 | 42.3 Ų | 42.3 | 99% | 0.987 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -9.8 | 166.5 | -59.8 | -79.8 | 0 | 0 | 0 | 113 | G254 | F252-G254 VanDerWaalsContact C-N 3.27Š|
| 253 | S | 80.4 | Confident | 92 | Very high | 61 Ų | 61 | 42.5 Ų | 42.5 | 43% | 0.427 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -10.7 | 174.9 | 77.4 | 0 | 0 | 0 | 0 | 114 | D251 T255 | D251-S253 WeakPolarHBondContact CB-OG 3.29Å; D251-S253 VanDerWaalsContact CG-OG 3.3Å; D251-S253 PolarHBondContact O-N 2.7Å; D251-S253 VanDerWaalsContact OD2-CB 3.24Å; D251-S253 WeakPolarHBondContact OD2-CB 3.3Å; D251-S253 PolarHBondContact OD2-OG 2.93Å; S253-T255 VanDerWaalsContact C-N 3.27Å; S253-T255 PolarHBondContact OG-N 2.83Å; S253-T255 PolarHBondContact OG-OG1 3.09Å |
| 254 | G | 84.6 | Confident | 91.6 | Very high | 49 Ų | 49 | 39.8 Ų | 39.8 | 51% | 0.505 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 76.7 | 14.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A249 D251 F252 | A249-G254 VanDerWaalsContact CB-C 3.49Å; D251-G254 PolarHBondContact O-N 2.89Å; F252-G254 VanDerWaalsContact C-N 3.27Å |
| 255 | T | 91.4 | Very high | 90.9 | Very high | 34 Ų | 34 | 41.6 Ų | 41.6 | 21% | 0.209 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -131.3 | -156 | 173 | 63.6 | 0 | 0 | 0 | 0 | 109.8 | A249 K250 D251 S253 K279 | A249-T255 VanDerWaalsContact CA-O 3.3Å; A249-T255 WeakPolarHBondContact CA-O 3.23Å; A249-T255 WeakPolarHBondContact CB-O 3.09Å; K250-T255 PolarHBondContact N-O 2.96Å; D251-T255 WeakPolarHBondContact CB-O 3.47Å; D251-T255 PolarHBondContact N-O 2.93Å; S253-T255 VanDerWaalsContact C-N 3.27Å; S253-T255 PolarHBondContact OG-N 2.83Å; S253-T255 PolarHBondContact OG-OG1 3.09Å; T255-K279 WeakPolarHBondContact OG1-CA 3.49Å; T255-K279 WeakPolarHBondContact OG1-CB 3.35Å |
| 256 | S | 94.2 | Very high | 90 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -153.2 | 159.8 | 171.8 | -82.2 | 0 | 0 | 0 | 0 | 108.5 | P248 K250 P258 K279 T280 D309 | P248-S256 PolarHBondContact O-OG 2.78Å; K250-S256 PolarHBondContact N-OG 2.95Å; K250-S256 VanDerWaalsContact N-OG 3.14Å; S256-P258 WeakPolarHBondContact O-CD 3.49Å; S256-K279 CarbonylContact O-C 3.57Å; S256-K279 WeakPolarHBondContact O-CA 3.22Å; S256-K279 PolarHBondContact O-N 3.01Å; S256-T280 PolarHBondContact O-N 3.44Å; S256-D309 WeakPolarHBondContact CA-OD2 3.39Å; S256-D309 VanDerWaalsContact CB-CG 3.48Å; S256-D309 WeakPolarHBondContact CB-OD2 3.41Å; S256-D309 PolarHBondContact OG-OD2 2.89Å | ||
| 257 | D | 95.4 | Very high | 89 | Confident | 18 Ų | 18 | 41.5 Ų | 41.5 | 10% | 0.096 | 24% | 0.235 | C | C | . | . | trans | -102 | 65 | 167 | -84.5 | 15.7 | 0 | 0 | 0 | 109.8 | V276 H277 R278 K279 D309 F310 | D257-V276 HydrophobicContact CB-CG1 3.87Å; D257-H277 CarbonylContact C-O 3.42Å; D257-H277 VanDerWaalsContact CA-O 3.26Å; D257-H277 WeakPolarHBondContact CA-O 3.19Å; D257-R278 WeakPolarHBondContact OD1-CA 3.43Å; D257-R278 WeakPolarHBondContact OD1-CB 3.32Å; D257-R278 WeakPolarHBondContact OD2-CD 3.07Å; D257-R278 VanDerWaalsContact OD2-CG 3.22Å; D257-R278 WeakPolarHBondContact OD2-CG 3.4Å; D257-R278 IonicContact OD2-NE 3.72Å; D257-R278 PolarHBondContact OD2-NE 2.79Å; D257-R278 VanDerWaalsContact OD2-NE 3.13Å; D257-K279 PolarHBondContact OD1-N 3.08Å; D257-D309 WeakPolarHBondContact CA-OD1 3.25Å; D257-D309 PolarHBondContact N-OD1 2.84Å; D257-F310 HydrophobicContact CB-CB 4.01Å; D257-F310 VanDerWaalsContact O-CB 3.26Å; D257-F310 WeakPolarHBondContact O-CB 3.19Å; D257-F310 PolarHBondContact O-N 2.89Å | ||
| 258 | P | 96.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 149.5 | -168.8 | 28 | -40.1 | 0 | 0 | 0 | 116.1 | L247 S256 H277 T280 P283 Y308 I319 | L247-P258 HydrophobicContact CD1-CB 3.58Å; L247-P258 HydrophobicContact CD1-CG 3.87Å; S256-P258 WeakPolarHBondContact O-CD 3.49Å; P258-H277 WeakPolarHBondContact CD-O 3.33Å; P258-H277 PolarHBondContact O-N 3.5Å; P258-T280 WeakPolarHBondContact CD-O 3.29Å; P258-T280 HydrophobicContact CG-CG2 4.05Å; P258-T280 VanDerWaalsContact CG-O 3.3Å; P258-T280 WeakPolarHBondContact CG-O 3.26Å; P258-P283 HydrophobicContact CB-CG 4.16Å; P258-P283 HydrophobicContact CG-CB 3.88Å; P258-P283 HydrophobicContact CG-CG 3.62Å; P258-Y308 VanDerWaalsContact CA-O 3.3Å; P258-Y308 WeakPolarHBondContact CA-O 3.34Å; P258-I319 HydrophobicContact CB-CD1 4.47Å |
| 259 | Y | 97.6 | Very high | 86.2 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 162 | 167.8 | 73.7 | -76.6 | 0 | 0 | 0 | 111.5 | K261 Q273 T274 K275 V276 Y308 F310 H316 | Y259-K261 HydrophobicContact CD2-CG 4.48Å; Y259-K261 HydrophobicContact CE2-CD 4.37Å; Y259-K261 HydrophobicContact CE2-CG 3.89Å; Y259-K261 WeakPolarHBondContact OH-CE 3.28Å; Y259-K261 PolarHBondContact OH-NZ 2.8Å; Y259-Q273 HydrophobicContact CD2-CG 3.56Å; Y259-Q273 VanDerWaalsContact CE2-CD 3.47Å; Y259-Q273 HydrophobicContact CE2-CG 3.89Å; Y259-T274 WeakPolarHBondContact CA-OG1 3.34Å; Y259-K275 WeakPolarHBondContact CB-O 3.42Å; Y259-V276 HydrophobicContact CD1-CG2 4.16Å; Y259-V276 HydrophobicContact CG-CG2 4.15Å; Y259-Y308 HydrophobicContact CE1-CG 4.26Å; Y259-Y308 HydrophobicContact CE2-CD2 4.4Å; Y259-Y308 AromaticContact CZ-CG 3.9Å; Y259-Y308 PolarHBondContact N-O 2.88Å; Y259-Y308 PolarHBondContact O-N 3.04Å; Y259-Y308 WeakPolarHBondContact OH-CB 3.38Å; Y259-F310 HydrophobicContact CD1-CB 3.9Å; Y259-F310 HydrophobicContact CE1-CB 4.06Å; Y259-H316 HydrophobicContact CE1-CB 4.43Å; Y259-H316 AromaticContact CE1-ND1 3.7Å; Y259-H316 AromaticContact CZ-ND1 3.52Å; Y259-H316 PolarHBondContact OH-ND1 3.26Å |
| 260 | V | 97.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 133.7 | -178.2 | -170.4 | 0 | 0 | 0 | 0 | 110.3 | L224 I241 I262 Q273 T274 F285 F305 S306 V307 | L224-V260 HydrophobicContact CD1-CG2 4.28Å; I241-V260 HydrophobicContact CG2-CG2 4.48Å; V260-I262 HydrophobicContact CG1-CG1 4.43Å; V260-Q273 VanDerWaalsContact O-CA 3.31Å; V260-Q273 WeakPolarHBondContact O-CA 3.27Å; V260-T274 HydrophobicContact CB-CG2 3.96Å; V260-T274 HydrophobicContact CG2-CG2 4.43Å; V260-T274 PolarHBondContact N-OG1 2.91Å; V260-T274 PolarHBondContact O-N 2.91Å; V260-F285 HydrophobicContact CG2-CE1 4.48Å; V260-F285 HydrophobicContact CG2-CE2 3.92Å; V260-F285 HydrophobicContact CG2-CZ 3.82Å; V260-F305 HydrophobicContact CG1-CB 4.08Å; V260-F305 HydrophobicContact CG1-CD1 4.31Å; V260-S306 WeakPolarHBondContact CA-O 3.41Å; V260-V307 HydrophobicContact CG2-CG2 4.3Å |
| 261 | K | 94.1 | Very high | 84.9 | Confident | 41 Ų | 41 | 59 Ų | 59 | 18% | 0.178 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 145.3 | 164.2 | -60.8 | 178.7 | -163.5 | 157.6 | 0 | 109.7 | Y259 Y263 H272 Q273 F305 S306 Y308 | Y259-K261 HydrophobicContact CD2-CG 4.48Å; Y259-K261 HydrophobicContact CE2-CD 4.37Å; Y259-K261 HydrophobicContact CE2-CG 3.89Å; Y259-K261 WeakPolarHBondContact OH-CE 3.28Å; Y259-K261 PolarHBondContact OH-NZ 2.8Å; K261-Y263 HydrophobicContact CB-CE2 3.89Å; K261-H272 CarbonylContact C-O 3.48Å; K261-H272 WeakPolarHBondContact CA-O 3.33Å; K261-Q273 HydrophobicContact CG-CG 4.05Å; K261-F305 WeakPolarHBondContact O-CA 3.49Å; K261-S306 PolarHBondContact N-O 2.85Å; K261-S306 PolarHBondContact O-N 2.91Å; K261-Y308 HydrophobicContact CD-CD2 4Å; K261-Y308 HydrophobicContact CD-CE2 3.65Å; K261-Y308 HydrophobicContact CG-CD2 4.18Å; K261-Y308 HydrophobicContact CG-CE2 4.22Å |
| 262 | I | 94.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 132.3 | -174.7 | -38.7 | 175.5 | 0 | 0 | 0 | 109.5 | I241 V260 H272 F289 F291 L303 H304 F305 | I241-I262 HydrophobicContact CD1-CD1 3.85Å; I241-I262 HydrophobicContact CG1-CD1 3.73Å; V260-I262 HydrophobicContact CG1-CG1 4.43Å; I262-H272 HydrophobicContact CB-CB 4.28Å; I262-H272 HydrophobicContact CD1-CB 4.48Å; I262-H272 PolarHBondContact N-O 2.94Å; I262-H272 PolarHBondContact O-N 2.67Å; I262-F289 HydrophobicContact CD1-CB 4.46Å; I262-F289 HydrophobicContact CD1-CD2 3.3Å; I262-F289 HydrophobicContact CD1-CE2 3.59Å; I262-F289 HydrophobicContact CD1-CG 3.89Å; I262-F289 HydrophobicContact CD1-CZ 4.37Å; I262-F291 HydrophobicContact CB-CZ 4.12Å; I262-F291 HydrophobicContact CG2-CE2 4.03Å; I262-F291 HydrophobicContact CG2-CZ 3.68Å; I262-L303 HydrophobicContact CG2-CD1 3.73Å; I262-L303 HydrophobicContact CG2-CG 4.42Å; I262-H304 WeakPolarHBondContact CA-O 3.33Å; I262-F305 HydrophobicContact CB-CD1 4.41Å; I262-F305 HydrophobicContact CD1-CE1 4.49Å; I262-F305 HydrophobicContact CG1-CD1 4.09Å; I262-F305 HydrophobicContact CG1-CE1 4.41Å; I262-F305 HydrophobicContact CG2-CD1 3.82Å; I262-F305 HydrophobicContact CG2-CE1 3.73Å |
| 263 | Y | 89.6 | Confident | 86 | Confident | 43 Ų | 43 | 53.3 Ų | 53.3 | 17% | 0.169 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 140.6 | 178 | -51.3 | -92.2 | 0 | 0 | 0 | 110.6 | K261 K271 H304 | K261-Y263 HydrophobicContact CB-CE2 3.89Å; Y263-K271 HydrophobicContact CD1-CB 3.88Å; Y263-K271 HydrophobicContact CE1-CB 3.54Å; Y263-H304 AromaticContact CD2-ND1 3.97Å; Y263-H304 PolarHBondContact N-O 3.26Å; Y263-H304 PolarHBondContact O-N 3.13Å |
| 264 | L | 89.8 | Confident | 86.9 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 81.5 | 171.6 | -173 | 64.6 | 0 | 0 | 0 | 109.8 | L237 D267 F291 V293 R301 L303 F327 | L237-L264 HydrophobicContact CD2-CD1 4.02Å; L264-D267 CarbonylContact C-O 3.57Å; L264-D267 PolarHBondContact O-N 3.31Å; L264-D267 VanDerWaalsContact O-N 3.07Å; L264-F291 HydrophobicContact CB-CD1 3.6Å; L264-F291 HydrophobicContact CB-CE1 3.87Å; L264-F291 HydrophobicContact CB-CG 4.28Å; L264-F291 HydrophobicContact CD2-CB 3.85Å; L264-F291 HydrophobicContact CD2-CD1 4.22Å; L264-F291 HydrophobicContact CD2-CG 4.25Å; L264-V293 HydrophobicContact CD2-CB 4.03Å; L264-V293 HydrophobicContact CD2-CG1 3.93Å; L264-V293 HydrophobicContact CD2-CG2 4.3Å; L264-R301 HydrophobicContact CD1-CB 3.75Å; L264-R301 HydrophobicContact CD1-CG 4.34Å; L264-R301 HydrophobicContact CD2-CG 4.46Å; L264-R301 HydrophobicContact CG-CB 4.14Å; L264-R301 HydrophobicContact CG-CG 4.25Å; L264-L303 HydrophobicContact CD1-CD1 4.26Å; L264-F327 HydrophobicContact CD1-CZ 4.38Å |
| 265 | L | 83.3 | Confident | 87.4 | Confident | 39 Ų | 39 | 54.7 Ų | 54.7 | 20% | 0.204 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 144.3 | -177.8 | -58.5 | -179.5 | 0 | 0 | 0 | 110.8 | R268 R301 K302 H304 | L265-R268 HydrophobicContact CD2-CG 3.74Å; L265-R301 CarbonylContact O-C 3.6Å; L265-R301 VanDerWaalsContact O-CA 3.23Å; L265-R301 WeakPolarHBondContact O-CA 3.41Å; L265-R301 WeakPolarHBondContact O-CD 3.24Å; L265-K302 HydrophobicContact CB-CB 4.29Å; L265-K302 WeakPolarHBondContact CB-O 3.47Å; L265-K302 PolarHBondContact N-O 2.81Å; L265-K302 PolarHBondContact O-N 3.26Å; L265-H304 HydrophobicContact CD1-CB 3.77Å; L265-H304 HydrophobicContact CG-CB 4Å |
| 266 | P | 76.6 | Confident | 87.7 | Confident | 101 Ų | 101 | 55.1 Ų | 55.1 | 66% | 0.656 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -78.6 | -1.8 | 9.3 | 31.8 | -36.7 | 0 | 0 | 0 | 115.8 | R268 | P266-R268 PolarHBondContact O-N 3.09Š|
| 267 | D | 74.3 | Confident | 87.8 | Confident | 49 Ų | 49 | 57.5 Ų | 57.5 | 26% | 0.262 | 27% | 0.273 | S | S | . | . | trans | -74.9 | 125 | 176.8 | -164.7 | 1.1 | 0 | 0 | 0 | 111.4 | L264 K269 T270 | L264-D267 CarbonylContact C-O 3.57Å; L264-D267 PolarHBondContact O-N 3.31Å; L264-D267 VanDerWaalsContact O-N 3.07Å; D267-K269 VanDerWaalsContact OD1-CB 3.28Å; D267-K269 WeakPolarHBondContact OD1-CB 3.31Å; D267-K269 PolarHBondContact OD1-N 3.06Å; D267-T270 WeakPolarHBondContact OD2-CG2 3.44Å; D267-T270 PolarHBondContact OD2-OG1 3.05Å | ||
| 268 | R | 68.9 | Low | 87.8 | Confident | 127 Ų | 127 | 65 Ų | 65 | 48% | 0.479 | 30% | 0.3 | S | S | . | . | trans | -111.8 | -3.3 | 174.5 | -66.1 | -173.3 | -177.4 | 159.1 | 5.1 | 113 | L265 P266 D352 | L265-R268 HydrophobicContact CD2-CG 3.74Å; P266-R268 PolarHBondContact O-N 3.09Å; R268-D352 IonicContact CZ-OD2 2.71Å; R268-D352 IonicContact NH1-OD2 3.14Å; R268-D352 PolarHBondContact NH1-OD2 3.5Å; R268-D352 IonicContact NH2-OD2 2.67Å; R268-D352 PolarHBondContact NH2-OD2 3.43Å | ||
| 269 | K | 60.3 | Low | 87.7 | Confident | 188 Ų | 188 | 71.8 Ų | 71.8 | 82% | 0.817 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -77 | -45.4 | 175.7 | -58.6 | 175.5 | -178.5 | 174.9 | 0 | 110.3 | D267 K271 | D267-K269 VanDerWaalsContact OD1-CB 3.28Å; D267-K269 WeakPolarHBondContact OD1-CB 3.31Å; D267-K269 PolarHBondContact OD1-N 3.06Å; K269-K271 PolarHBondContact O-N 3.16Å |
| 270 | T | 71.4 | Confident | 87.6 | Confident | 58 Ų | 58 | 73.5 Ų | 73.5 | 36% | 0.356 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -75.9 | 86.3 | 175.3 | 45.2 | 0 | 0 | 0 | 0 | 110.5 | D267 | D267-T270 WeakPolarHBondContact OD2-CG2 3.44Å; D267-T270 PolarHBondContact OD2-OG1 3.05Å |
| 271 | K | 81.1 | Confident | 87.5 | Confident | 145 Ų | 145 | 75.6 Ų | 75.6 | 63% | 0.63 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105 | 128.9 | 175.4 | 72.8 | -169.2 | -179.7 | -170.9 | 0 | 110.8 | Y263 K269 | Y263-K271 HydrophobicContact CD1-CB 3.88Å; Y263-K271 HydrophobicContact CE1-CB 3.54Å; K269-K271 PolarHBondContact O-N 3.16Å |
| 272 | H | 91.3 | Very high | 87.7 | Confident | 60 Ų | 60 | 77.4 Ų | 77.4 | 28% | 0.278 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 157.6 | 168.1 | -68.8 | -94.9 | 0 | 0 | 0 | 110.1 | K261 I262 F289 F291 | K261-H272 CarbonylContact C-O 3.48Å; K261-H272 WeakPolarHBondContact CA-O 3.33Å; I262-H272 HydrophobicContact CB-CB 4.28Å; I262-H272 HydrophobicContact CD1-CB 4.48Å; I262-H272 PolarHBondContact N-O 2.94Å; I262-H272 PolarHBondContact O-N 2.67Å; H272-F289 HydrophobicContact CB-CB 4.29Å; H272-F289 HydrophobicContact CB-CD1 3.63Å; H272-F289 HydrophobicContact CB-CE1 4.18Å; H272-F289 HydrophobicContact CB-CG 4.02Å; H272-F289 AromaticContact CG-CD1 3.94Å; H272-F289 AromaticContact ND1-CD1 3.71Å; H272-F291 HydrophobicContact CB-CZ 4.35Å; H272-F291 AromaticContact CD2-CE1 3.5Å; H272-F291 AromaticContact CD2-CZ 3.52Å |
| 273 | Q | 94.1 | Very high | 87.8 | Confident | 100 Ų | 100 | 77.5 Ų | 77.5 | 47% | 0.467 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 138.9 | -177.3 | -163.5 | -172.4 | -69.9 | 0 | 0 | 110.9 | Y259 V260 K261 F289 | Y259-Q273 HydrophobicContact CD2-CG 3.56Å; Y259-Q273 VanDerWaalsContact CE2-CD 3.47Å; Y259-Q273 HydrophobicContact CE2-CG 3.89Å; V260-Q273 VanDerWaalsContact O-CA 3.31Å; V260-Q273 WeakPolarHBondContact O-CA 3.27Å; K261-Q273 HydrophobicContact CG-CG 4.05Å; Q273-F289 WeakPolarHBondContact O-CE1 3.32Å |
| 274 | T | 97.8 | Very high | 88.2 | Confident | 4 Ų | 4 | 79 Ų | 79 | 3% | 0.025 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 166.4 | 169.5 | 69.1 | 0 | 0 | 0 | 0 | 112 | I241 Y259 V260 F285 E287 F289 | I241-T274 HydrophobicContact CB-CG2 4.28Å; I241-T274 HydrophobicContact CG1-CG2 4.17Å; I241-T274 HydrophobicContact CG2-CG2 4.34Å; Y259-T274 WeakPolarHBondContact CA-OG1 3.34Å; V260-T274 HydrophobicContact CB-CG2 3.96Å; V260-T274 HydrophobicContact CG2-CG2 4.43Å; V260-T274 PolarHBondContact N-OG1 2.91Å; V260-T274 PolarHBondContact O-N 2.91Å; T274-F285 HydrophobicContact CG2-CB 4.4Å; T274-F285 HydrophobicContact CG2-CD1 3.96Å; T274-F285 HydrophobicContact CG2-CE1 4.45Å; T274-F285 HydrophobicContact CG2-CG 4.19Å; T274-F285 WeakPolarHBondContact OG1-CE1 3.38Å; T274-E287 WeakPolarHBondContact CA-OE1 3.47Å; T274-E287 WeakPolarHBondContact CB-OE1 3.45Å; T274-F289 HydrophobicContact CG2-CE2 4.08Å; T274-F289 HydrophobicContact CG2-CZ 4.04Å |
| 275 | K | 96.9 | Very high | 88.6 | Confident | 135 Ų | 135 | 79.4 Ų | 79.4 | 59% | 0.587 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 159 | 159.7 | -65.8 | 171.3 | -171.7 | 99.1 | 0 | 110.6 | Y259 E287 | Y259-K275 WeakPolarHBondContact CB-O 3.42Å; K275-E287 WeakPolarHBondContact CE-OE2 3.35Å; K275-E287 WeakPolarHBondContact CG-OE2 3.37Å; K275-E287 PolarHBondContact N-OE1 3.47Å; K275-E287 IonicContact NZ-OE2 2.7Å; K275-E287 PolarHBondContact NZ-OE2 2.78Å |
| 276 | V | 97.1 | Very high | 89.3 | Confident | 43 Ų | 43 | 80.9 Ų | 80.9 | 26% | 0.261 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -89.7 | 118.5 | 174 | 173.3 | 0 | 0 | 0 | 0 | 108.7 | D257 Y259 F310 | D257-V276 HydrophobicContact CB-CG1 3.87Å; Y259-V276 HydrophobicContact CD1-CG2 4.16Å; Y259-V276 HydrophobicContact CG-CG2 4.15Å; V276-F310 HydrophobicContact CB-CB 4.35Å; V276-F310 HydrophobicContact CB-CG 4.47Å; V276-F310 HydrophobicContact CG1-CB 3.52Å; V276-F310 HydrophobicContact CG1-CD1 4.05Å; V276-F310 HydrophobicContact CG1-CG 3.79Å; V276-F310 HydrophobicContact CG2-CB 3.82Å; V276-F310 HydrophobicContact CG2-CD2 3.86Å; V276-F310 HydrophobicContact CG2-CG 3.86Å |
| 277 | H | 96.8 | Very high | 90.3 | Very high | 50 Ų | 50 | 77.3 Ų | 77.3 | 23% | 0.231 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -98 | 116.4 | 177.7 | -73.9 | -106.4 | 0 | 0 | 0 | 109.1 | D257 P258 T280 P283 V284 F285 | D257-H277 CarbonylContact C-O 3.42Å; D257-H277 VanDerWaalsContact CA-O 3.26Å; D257-H277 WeakPolarHBondContact CA-O 3.19Å; P258-H277 WeakPolarHBondContact CD-O 3.33Å; P258-H277 PolarHBondContact O-N 3.5Å; H277-T280 HydrophobicContact CB-CG2 3.89Å; H277-P283 HydrophobicContact CB-CB 3.87Å; H277-V284 PolarHBondContact CE1-O 3.1Å; H277-V284 PolarHBondContact ND1-O 3.12Å; H277-F285 AromaticContact CD2-CD1 3.36Å; H277-F285 WeakPolarHBondContact CD2-CD1 3.46Å; H277-F285 AromaticContact CD2-CE1 3.59Å; H277-F285 AromaticContact NE2-CD1 3.56Å |
| 278 | R | 95.1 | Very high | 91.4 | Very high | 175 Ų | 175 | 79 Ų | 79 | 66% | 0.66 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | 143.1 | -170.3 | -62.2 | -150.1 | 164.8 | 89.8 | 6.7 | 114.3 | D257 T280 | D257-R278 WeakPolarHBondContact OD1-CA 3.43Å; D257-R278 WeakPolarHBondContact OD1-CB 3.32Å; D257-R278 WeakPolarHBondContact OD2-CD 3.07Å; D257-R278 VanDerWaalsContact OD2-CG 3.22Å; D257-R278 WeakPolarHBondContact OD2-CG 3.4Å; D257-R278 IonicContact OD2-NE 3.72Å; D257-R278 PolarHBondContact OD2-NE 2.79Å; D257-R278 VanDerWaalsContact OD2-NE 3.13Å; R278-T280 VanDerWaalsContact C-N 3.35Å; R278-T280 PolarHBondContact O-N 3.12Å |
| 279 | K | 93.8 | Very high | 92.7 | Very high | 143 Ų | 143 | 74 Ų | 74 | 62% | 0.622 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 49.7 | 170.4 | -59.7 | -173.1 | 177.6 | -175.5 | 0 | 114.3 | T255 S256 D257 | T255-K279 WeakPolarHBondContact OG1-CA 3.49Å; T255-K279 WeakPolarHBondContact OG1-CB 3.35Å; S256-K279 CarbonylContact O-C 3.57Å; S256-K279 WeakPolarHBondContact O-CA 3.22Å; S256-K279 PolarHBondContact O-N 3.01Å; D257-K279 PolarHBondContact OD1-N 3.08Å |
| 280 | T | 96.2 | Very high | 94.4 | Very high | 37 Ų | 37 | 69 Ų | 69 | 23% | 0.227 | 34% | 0.336 | C | S | . | . | trans | -139.6 | 139.4 | 179.3 | -177.5 | 0 | 0 | 0 | 0 | 112.2 | S256 P258 H277 R278 N282 P283 | S256-T280 PolarHBondContact O-N 3.44Å; P258-T280 WeakPolarHBondContact CD-O 3.29Å; P258-T280 HydrophobicContact CG-CG2 4.05Å; P258-T280 VanDerWaalsContact CG-O 3.3Å; P258-T280 WeakPolarHBondContact CG-O 3.26Å; H277-T280 HydrophobicContact CB-CG2 3.89Å; R278-T280 VanDerWaalsContact C-N 3.35Å; R278-T280 PolarHBondContact O-N 3.12Å; T280-N282 VanDerWaalsContact OG1-C 3.3Å; T280-N282 PolarHBondContact OG1-N 3.4Å; T280-N282 PolarHBondContact OG1-O 2.86Å; T280-P283 HydrophobicContact CG2-CB 3.89Å | ||
| 281 | L | 95.8 | Very high | 95.4 | Very high | 45 Ų | 45 | 66.4 Ų | 66.4 | 24% | 0.236 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -97.8 | 0.5 | 170.2 | -56.2 | -176.7 | 0 | 0 | 0 | 112.2 | N246 L247 A249 | N246-L281 PolarHBondContact N-O 2.98Å; L247-L281 HydrophobicContact CB-CB 4.46Å; L247-L281 WeakPolarHBondContact CB-O 3.37Å; L247-L281 PolarHBondContact N-O 3.24Å; L247-L281 WeakPolarHBondContact O-CB 3.37Å; L247-L281 WeakPolarHBondContact O-CD2 3.46Å; A249-L281 HydrophobicContact CB-CD1 4.31Å; A249-L281 HydrophobicContact CB-CD2 4.11Å |
| 282 | N | 97 | Very high | 96 | Very high | 79 Ų | 79 | 64.7 Ų | 64.7 | 42% | 0.422 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -137.3 | 64.5 | -179.6 | -60.4 | -79.1 | 0 | 0 | 0 | 110.1 | A244 V245 N246 T280 | A244-N282 CarbonylContact O-C 3.56Å; A244-N282 VanDerWaalsContact O-CA 3.29Å; A244-N282 WeakPolarHBondContact O-CA 3.37Å; V245-N282 WeakPolarHBondContact CA-OD1 3.43Å; V245-N282 WeakPolarHBondContact CB-OD1 3.5Å; N246-N282 PolarHBondContact N-OD1 2.87Å; T280-N282 VanDerWaalsContact OG1-C 3.3Å; T280-N282 PolarHBondContact OG1-N 3.4Å; T280-N282 PolarHBondContact OG1-O 2.86Å |
| 283 | P | 97.4 | Very high | 96 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.013 | 31% | 0.311 | C | S | . | . | trans | -69.8 | 136.1 | -179 | 30.1 | -36.5 | 0 | 0 | 0 | 111.8 | K243 A244 L247 P258 H277 T280 F285 | K243-P283 CarbonylContact C-O 3.1Å; K243-P283 WeakPolarHBondContact CA-O 3.49Å; K243-P283 VanDerWaalsContact CB-O 3.23Å; K243-P283 WeakPolarHBondContact CB-O 3.22Å; A244-P283 HydrophobicContact CB-CG 3.97Å; A244-P283 PolarHBondContact N-O 2.82Å; L247-P283 HydrophobicContact CD1-CG 3.85Å; P258-P283 HydrophobicContact CB-CG 4.16Å; P258-P283 HydrophobicContact CG-CB 3.88Å; P258-P283 HydrophobicContact CG-CG 3.62Å; H277-P283 HydrophobicContact CB-CB 3.87Å; T280-P283 HydrophobicContact CG2-CB 3.89Å; P283-F285 HydrophobicContact CB-CD2 4.44Å; P283-F285 HydrophobicContact CB-CE1 3.99Å; P283-F285 HydrophobicContact CB-CE2 3.84Å; P283-F285 HydrophobicContact CB-CZ 3.59Å; P283-F285 HydrophobicContact CG-CE1 4.33Å; P283-F285 HydrophobicContact CG-CE2 3.56Å; P283-F285 HydrophobicContact CG-CZ 3.44Å; P283-F285 VanDerWaalsContact CG-CZ 3.44Å | ||
| 284 | V | 97.9 | Very high | 95.9 | Very high | 74 Ų | 74 | 59.9 Ų | 59.9 | 45% | 0.448 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 113.2 | 166.5 | -177.6 | 0 | 0 | 0 | 0 | 107.1 | H242 K243 H277 D286 | H242-V284 CarbonylContact O-C 3.41Å; K243-V284 HydrophobicContact CB-CB 4.34Å; K243-V284 HydrophobicContact CB-CG1 4.47Å; K243-V284 HydrophobicContact CB-CG2 4.01Å; K243-V284 HydrophobicContact CD-CG2 4.45Å; H277-V284 PolarHBondContact CE1-O 3.1Å; H277-V284 PolarHBondContact ND1-O 3.12Å; V284-D286 VanDerWaalsContact CG1-OD2 3.25Å; V284-D286 WeakPolarHBondContact CG1-OD2 3.42Å |
| 285 | F | 97.6 | Very high | 95.5 | Very high | 14 Ų | 14 | 64.4 Ų | 64.4 | 6% | 0.061 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -51.2 | -175.1 | -58 | -80.4 | 0 | 0 | 0 | 111.1 | I241 H242 A244 V260 T274 H277 P283 E287 | I241-F285 HydrophobicContact CB-CB 4.43Å; I241-F285 HydrophobicContact CG2-CB 4.08Å; I241-F285 HydrophobicContact CG2-CD2 3.52Å; I241-F285 HydrophobicContact CG2-CE2 4.2Å; I241-F285 HydrophobicContact CG2-CG 4Å; H242-F285 PolarHBondContact O-N 2.86Å; A244-F285 HydrophobicContact CB-CE2 4.35Å; V260-F285 HydrophobicContact CG2-CE1 4.48Å; V260-F285 HydrophobicContact CG2-CE2 3.92Å; V260-F285 HydrophobicContact CG2-CZ 3.82Å; T274-F285 HydrophobicContact CG2-CB 4.4Å; T274-F285 HydrophobicContact CG2-CD1 3.96Å; T274-F285 HydrophobicContact CG2-CE1 4.45Å; T274-F285 HydrophobicContact CG2-CG 4.19Å; T274-F285 WeakPolarHBondContact OG1-CE1 3.38Å; H277-F285 AromaticContact CD2-CD1 3.36Å; H277-F285 WeakPolarHBondContact CD2-CD1 3.46Å; H277-F285 AromaticContact CD2-CE1 3.59Å; H277-F285 AromaticContact NE2-CD1 3.56Å; P283-F285 HydrophobicContact CB-CD2 4.44Å; P283-F285 HydrophobicContact CB-CE1 3.99Å; P283-F285 HydrophobicContact CB-CE2 3.84Å; P283-F285 HydrophobicContact CB-CZ 3.59Å; P283-F285 HydrophobicContact CG-CE1 4.33Å; P283-F285 HydrophobicContact CG-CE2 3.56Å; P283-F285 HydrophobicContact CG-CZ 3.44Å; P283-F285 VanDerWaalsContact CG-CZ 3.44Å; F285-E287 WeakPolarHBondContact O-CG 3.25Å; F285-E287 PolarHBondContact O-N 3.33Å |
| 286 | D | 97.3 | Very high | 95.2 | Very high | 69 Ų | 69 | 64.9 Ų | 64.9 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 50.2 | 36.1 | -173 | -86.8 | -59.1 | 0 | 0 | 0 | 115 | K240 I241 H242 V284 | K240-D286 WeakPolarHBondContact CE-OD1 3.26Å; K240-D286 IonicContact NZ-OD1 2.66Å; K240-D286 PolarHBondContact NZ-OD1 2.7Å; I241-D286 CarbonylContact O-C 3.32Å; I241-D286 VanDerWaalsContact O-CA 3.25Å; I241-D286 WeakPolarHBondContact O-CA 3.42Å; I241-D286 PolarHBondContact O-N 2.96Å; H242-D286 IonicContact CE1-OD1 2.66Å; H242-D286 IonicContact CE1-OD2 2.59Å; H242-D286 PolarHBondContact CE1-OD2 2.89Å; H242-D286 VanDerWaalsContact CE1-OD2 3.23Å; H242-D286 IonicContact CG-OD1 3.3Å; H242-D286 IonicContact ND1-OD1 3.36Å; H242-D286 PolarHBondContact ND1-OD1 2.87Å; H242-D286 IonicContact ND1-OD2 3.13Å; H242-D286 PolarHBondContact ND1-OD2 2.88Å; H242-D286 PolarHBondContact O-N 2.9Å; H242-D286 VanDerWaalsContact O-N 3.11Å; V284-D286 VanDerWaalsContact CG1-OD2 3.25Å; V284-D286 WeakPolarHBondContact CG1-OD2 3.42Å |
| 287 | E | 97.9 | Very high | 94.9 | Very high | 27 Ų | 27 | 66 Ų | 66 | 13% | 0.126 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 139.8 | -178.9 | -63.9 | -170.6 | -86.3 | 0 | 0 | 112.7 | K240 I241 T274 K275 F285 F289 | K240-E287 CarbonylContact C-O 3.55Å; K240-E287 VanDerWaalsContact CA-O 3.31Å; K240-E287 WeakPolarHBondContact CA-O 3.47Å; I241-E287 PolarHBondContact N-O 2.99Å; I241-E287 PolarHBondContact O-N 3.41Å; I241-E287 VanDerWaalsContact O-N 3.1Å; T274-E287 WeakPolarHBondContact CA-OE1 3.47Å; T274-E287 WeakPolarHBondContact CB-OE1 3.45Å; K275-E287 WeakPolarHBondContact CE-OE2 3.35Å; K275-E287 WeakPolarHBondContact CG-OE2 3.37Å; K275-E287 PolarHBondContact N-OE1 3.47Å; K275-E287 IonicContact NZ-OE2 2.7Å; K275-E287 PolarHBondContact NZ-OE2 2.78Å; F285-E287 WeakPolarHBondContact O-CG 3.25Å; F285-E287 PolarHBondContact O-N 3.33Å; E287-F289 HydrophobicContact CB-CE2 3.74Å; E287-F289 HydrophobicContact CB-CZ 3.71Å |
| 288 | V | 97.4 | Very high | 94.5 | Very high | 84 Ų | 84 | 63.6 Ų | 63.6 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 135.2 | -177.3 | -172.7 | 0 | 0 | 0 | 0 | 110.2 | V238 K240 | V238-V288 HydrophobicContact CG1-CG1 3.71Å; K240-V288 HydrophobicContact CB-CG2 4.07Å; K240-V288 HydrophobicContact CD-CG2 4.06Å; K240-V288 HydrophobicContact CG-CG2 3.86Å |
| 289 | F | 96.4 | Very high | 94.1 | Very high | 21 Ų | 21 | 62.2 Ų | 62.2 | 9% | 0.092 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 146.7 | 179.5 | -53.8 | -79.8 | 0 | 0 | 0 | 109.9 | V239 I241 I262 H272 Q273 T274 E287 F291 | V239-F289 PolarHBondContact N-O 2.92Å; V239-F289 PolarHBondContact O-N 2.89Å; I241-F289 HydrophobicContact CG1-CD2 4.26Å; I241-F289 HydrophobicContact CG1-CE2 3.91Å; I262-F289 HydrophobicContact CD1-CB 4.46Å; I262-F289 HydrophobicContact CD1-CD2 3.3Å; I262-F289 HydrophobicContact CD1-CE2 3.59Å; I262-F289 HydrophobicContact CD1-CG 3.89Å; I262-F289 HydrophobicContact CD1-CZ 4.37Å; H272-F289 HydrophobicContact CB-CB 4.29Å; H272-F289 HydrophobicContact CB-CD1 3.63Å; H272-F289 HydrophobicContact CB-CE1 4.18Å; H272-F289 HydrophobicContact CB-CG 4.02Å; H272-F289 AromaticContact CG-CD1 3.94Å; H272-F289 AromaticContact ND1-CD1 3.71Å; Q273-F289 WeakPolarHBondContact O-CE1 3.32Å; T274-F289 HydrophobicContact CG2-CE2 4.08Å; T274-F289 HydrophobicContact CG2-CZ 4.04Å; E287-F289 HydrophobicContact CB-CE2 3.74Å; E287-F289 HydrophobicContact CB-CZ 3.71Å; F289-F291 HydrophobicContact CB-CE2 4.26Å |
| 290 | L | 95.3 | Very high | 93.7 | Very high | 84 Ų | 84 | 59.1 Ų | 59.1 | 44% | 0.44 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 123.3 | -175.3 | -58 | 176.2 | 0 | 0 | 0 | 109 | V238 | V238-L290 HydrophobicContact CB-CD2 4.24Å; V238-L290 HydrophobicContact CG1-CD2 3.98Å; V238-L290 HydrophobicContact CG2-CD2 3.81Å |
| 291 | F | 93.8 | Very high | 93.3 | Very high | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 114.4 | 175.2 | -66.5 | -95.9 | 0 | 0 | 0 | 109.2 | Q236 L237 V239 I262 L264 H272 F289 V293 L303 | Q236-F291 WeakPolarHBondContact CA-O 3.36Å; L237-F291 HydrophobicContact CB-CB 4.34Å; L237-F291 PolarHBondContact N-O 2.8Å; L237-F291 PolarHBondContact O-N 3.27Å; V239-F291 HydrophobicContact CB-CD2 4.47Å; V239-F291 HydrophobicContact CB-CE2 4.19Å; V239-F291 HydrophobicContact CG2-CD2 3.82Å; V239-F291 HydrophobicContact CG2-CE2 3.85Å; I262-F291 HydrophobicContact CB-CZ 4.12Å; I262-F291 HydrophobicContact CG2-CE2 4.03Å; I262-F291 HydrophobicContact CG2-CZ 3.68Å; L264-F291 HydrophobicContact CB-CD1 3.6Å; L264-F291 HydrophobicContact CB-CE1 3.87Å; L264-F291 HydrophobicContact CB-CG 4.28Å; L264-F291 HydrophobicContact CD2-CB 3.85Å; L264-F291 HydrophobicContact CD2-CD1 4.22Å; L264-F291 HydrophobicContact CD2-CG 4.25Å; H272-F291 HydrophobicContact CB-CZ 4.35Å; H272-F291 AromaticContact CD2-CE1 3.5Å; H272-F291 AromaticContact CD2-CZ 3.52Å; F289-F291 HydrophobicContact CB-CE2 4.26Å; F291-V293 PolarHBondContact O-N 3.18Å; F291-L303 HydrophobicContact CE2-CD1 4.31Å; F291-L303 HydrophobicContact CZ-CD1 4.42Å |
| 292 | P | 92.7 | Very high | 93.1 | Very high | 108 Ų | 108 | 61.7 Ų | 61.7 | 70% | 0.701 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 117.2 | 172.8 | 28.8 | -32.6 | 0 | 0 | 0 | 109.6 | Q236 | Q236-P292 HydrophobicContact CG-CB 4.26Å |
| 293 | V | 91.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.018 | 31% | 0.313 | C | S | . | . | trans | -158 | 122.5 | -177.7 | 57.9 | 0 | 0 | 0 | 0 | 109.3 | Y230 E235 L237 L264 F291 D297 L298 R301 | Y230-V293 HydrophobicContact CE2-CG1 4.42Å; Y230-V293 WeakPolarHBondContact CE2-O 3.14Å; Y230-V293 PolarHBondContact OH-O 3.05Å; Y230-V293 VanDerWaalsContact OH-O 3.1Å; E235-V293 CarbonylContact O-C 3.51Å; E235-V293 PolarHBondContact O-N 2.88Å; E235-V293 VanDerWaalsContact O-O 3.13Å; L237-V293 HydrophobicContact CB-CG1 3.81Å; L264-V293 HydrophobicContact CD2-CB 4.03Å; L264-V293 HydrophobicContact CD2-CG1 3.93Å; L264-V293 HydrophobicContact CD2-CG2 4.3Å; F291-V293 PolarHBondContact O-N 3.18Å; V293-D297 HydrophobicContact CG2-CB 3.74Å; V293-L298 HydrophobicContact CG1-CD2 3.65Å; V293-L298 HydrophobicContact CG2-CD2 4.2Å; V293-R301 HydrophobicContact CG2-CG 4.22Å | ||
| 294 | P | 92.1 | Very high | 92.6 | Very high | 56 Ų | 56 | 59.1 Ų | 59.1 | 36% | 0.364 | 32% | 0.318 | S | S | . | . | trans | -60.2 | 149 | 175.8 | -24.4 | 34.8 | 0 | 0 | 0 | 112 | N296 D297 | P294-N296 VanDerWaalsContact C-N 3.27Å; P294-N296 PolarHBondContact O-N 2.8Å; P294-D297 WeakPolarHBondContact O-CB 3.44Å; P294-D297 PolarHBondContact O-N 2.88Å | ||
| 295 | Y | 90.1 | Very high | 92.5 | Very high | 100 Ų | 100 | 55.6 Ų | 55.6 | 39% | 0.392 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -58.6 | -39.8 | -175 | -175.3 | -96.4 | 0 | 0 | 0 | 112.5 | Y230 D297 L298 L328 | Y230-Y295 AromaticContact CD1-CD2 3.8Å; Y230-Y295 HydrophobicContact CD1-CD2 3.8Å; Y230-Y295 HydrophobicContact CD1-CE2 4.44Å; Y230-Y295 AromaticContact CE1-CD2 3.64Å; Y230-Y295 HydrophobicContact CE1-CD2 3.64Å; Y230-Y295 HydrophobicContact CE1-CG 4.29Å; Y230-Y295 HydrophobicContact CG-CD2 4.44Å; Y230-Y295 PolarHBondContact OH-N 2.97Å; Y295-D297 PolarHBondContact O-N 3.04Å; Y295-L298 HydrophobicContact CD2-CD1 3.7Å; Y295-L298 HydrophobicContact CE2-CD1 4.13Å; Y295-L298 HydrophobicContact CG-CD1 4.33Å; Y295-L298 WeakPolarHBondContact O-CB 3.47Å; Y295-L298 WeakPolarHBondContact O-CG 3.42Å; Y295-L298 PolarHBondContact O-N 2.71Å; Y295-L328 HydrophobicContact CE2-CD2 4.26Å |
| 296 | N | 90.1 | Very high | 92.3 | Very high | 144 Ų | 144 | 55.1 Ų | 55.1 | 77% | 0.77 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -65.2 | -22.6 | 178.9 | -59.9 | -22.1 | 0 | 0 | 0 | 113.4 | P294 | P294-N296 VanDerWaalsContact C-N 3.27Å; P294-N296 PolarHBondContact O-N 2.8Å |
| 297 | D | 89.8 | Confident | 92.2 | Very high | 67 Ų | 67 | 51.8 Ų | 51.8 | 36% | 0.358 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -79.3 | -22.8 | 178.7 | -103.9 | 49.3 | 0 | 0 | 0 | 112.1 | V293 P294 Y295 E299 A300 R301 | V293-D297 HydrophobicContact CG2-CB 3.74Å; P294-D297 WeakPolarHBondContact O-CB 3.44Å; P294-D297 PolarHBondContact O-N 2.88Å; Y295-D297 PolarHBondContact O-N 3.04Å; D297-E299 VanDerWaalsContact C-N 3.31Å; D297-E299 PolarHBondContact O-N 2.93Å; D297-A300 PolarHBondContact O-N 2.67Å; D297-A300 VanDerWaalsContact O-N 3.1Å; D297-R301 WeakPolarHBondContact O-CG 3.36Å; D297-R301 IonicContact OD2-CZ 3.98Å; D297-R301 IonicContact OD2-NE 3.89Å; D297-R301 IonicContact OD2-NH2 2.71Å; D297-R301 PolarHBondContact OD2-NH2 3.02Å |
| 298 | L | 88.6 | Confident | 91.9 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -58.8 | -36.4 | -169.1 | -71.5 | 173.4 | 0 | 0 | 0 | 113.8 | Y230 V293 Y295 A300 R301 L328 F333 | Y230-L298 HydrophobicContact CD2-CD1 3.79Å; Y230-L298 HydrophobicContact CD2-CD2 4.43Å; Y230-L298 HydrophobicContact CE2-CD1 3.92Å; Y230-L298 HydrophobicContact CE2-CD2 4.46Å; Y230-L298 HydrophobicContact CE2-CG 4.47Å; Y230-L298 HydrophobicContact CG-CD1 4.23Å; V293-L298 HydrophobicContact CG1-CD2 3.65Å; V293-L298 HydrophobicContact CG2-CD2 4.2Å; Y295-L298 HydrophobicContact CD2-CD1 3.7Å; Y295-L298 HydrophobicContact CE2-CD1 4.13Å; Y295-L298 HydrophobicContact CG-CD1 4.33Å; Y295-L298 WeakPolarHBondContact O-CB 3.47Å; Y295-L298 WeakPolarHBondContact O-CG 3.42Å; Y295-L298 PolarHBondContact O-N 2.71Å; L298-A300 PolarHBondContact O-N 3.04Å; L298-R301 PolarHBondContact O-N 3.49Å; L298-L328 HydrophobicContact CB-CD2 4.43Å; L298-L328 HydrophobicContact CD1-CD2 4.42Å; L298-F333 HydrophobicContact CD1-CE1 4.12Å; L298-F333 HydrophobicContact CD1-CZ 4.12Å |
| 299 | E | 87.4 | Confident | 91.7 | Very high | 146 Ų | 146 | 49 Ų | 49 | 68% | 0.682 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -58.3 | -34.3 | 179.3 | -170.1 | -177.1 | 177.8 | 0 | 0 | 111.9 | D297 L328 | D297-E299 VanDerWaalsContact C-N 3.31Å; D297-E299 PolarHBondContact O-N 2.93Å; E299-L328 HydrophobicContact CB-CD1 4.04Å; E299-L328 HydrophobicContact CG-CD1 4.47Å |
| 300 | A | 86.3 | Confident | 91.4 | Very high | 78 Ų | 78 | 50.7 Ų | 50.7 | 65% | 0.645 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -89.3 | 0.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | D297 L298 | D297-A300 PolarHBondContact O-N 2.67Å; D297-A300 VanDerWaalsContact O-N 3.1Å; L298-A300 PolarHBondContact O-N 3.04Å |
| 301 | R | 87.8 | Confident | 90.7 | Very high | 52 Ų | 52 | 49 Ų | 49 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | trans | -98.5 | 155.9 | -179.4 | -55.8 | -50.5 | 179.8 | 124.3 | -2.9 | 112.5 | L264 L265 V293 D297 L298 F327 | L264-R301 HydrophobicContact CD1-CB 3.75Å; L264-R301 HydrophobicContact CD1-CG 4.34Å; L264-R301 HydrophobicContact CD2-CG 4.46Å; L264-R301 HydrophobicContact CG-CB 4.14Å; L264-R301 HydrophobicContact CG-CG 4.25Å; L265-R301 CarbonylContact O-C 3.6Å; L265-R301 VanDerWaalsContact O-CA 3.23Å; L265-R301 WeakPolarHBondContact O-CA 3.41Å; L265-R301 WeakPolarHBondContact O-CD 3.24Å; V293-R301 HydrophobicContact CG2-CG 4.22Å; D297-R301 WeakPolarHBondContact O-CG 3.36Å; D297-R301 IonicContact OD2-CZ 3.98Å; D297-R301 IonicContact OD2-NE 3.89Å; D297-R301 IonicContact OD2-NH2 2.71Å; D297-R301 PolarHBondContact OD2-NH2 3.02Å; L298-R301 PolarHBondContact O-N 3.49Å; R301-F327 HydrophobicContact CB-CE2 4.02Å; R301-F327 VanDerWaalsContact O-CE2 3.26Å; R301-F327 WeakPolarHBondContact O-CE2 3.42Å | ||
| 302 | K | 90.4 | Very high | 90.1 | Very high | 84 Ų | 84 | 58.2 Ų | 58.2 | 37% | 0.365 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 129.8 | 171 | -54.4 | -163.4 | 167.5 | -153.2 | 0 | 110.1 | L265 V323 V324 D325 | L265-K302 HydrophobicContact CB-CB 4.29Å; L265-K302 WeakPolarHBondContact CB-O 3.47Å; L265-K302 PolarHBondContact N-O 2.81Å; L265-K302 PolarHBondContact O-N 3.26Å; K302-V323 HydrophobicContact CB-CG1 4.47Å; K302-V324 CarbonylContact C-O 3.6Å; K302-V324 WeakPolarHBondContact CA-O 3.27Å; K302-D325 HydrophobicContact CB-CB 4.41Å; K302-D325 HydrophobicContact CD-CB 3.66Å; K302-D325 WeakPolarHBondContact CE-OD2 3.4Å; K302-D325 HydrophobicContact CG-CB 3.76Å; K302-D325 IonicContact NZ-OD2 3.88Å; K302-D325 PolarHBondContact NZ-OD2 3.05Å |
| 303 | L | 92.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 117.2 | -179.5 | -170.5 | 64.8 | 0 | 0 | 0 | 108.3 | L228 V239 I262 L264 F291 F305 V324 F327 | L228-L303 HydrophobicContact CD1-CD2 4.5Å; L228-L303 HydrophobicContact CD2-CD2 3.54Å; V239-L303 HydrophobicContact CG1-CD2 4.04Å; V239-L303 HydrophobicContact CG2-CD1 4.23Å; V239-L303 HydrophobicContact CG2-CD2 3.84Å; I262-L303 HydrophobicContact CG2-CD1 3.73Å; I262-L303 HydrophobicContact CG2-CG 4.42Å; L264-L303 HydrophobicContact CD1-CD1 4.26Å; F291-L303 HydrophobicContact CE2-CD1 4.31Å; F291-L303 HydrophobicContact CZ-CD1 4.42Å; L303-F305 HydrophobicContact CD2-CE1 4.07Å; L303-F305 HydrophobicContact CD2-CE2 3.99Å; L303-F305 HydrophobicContact CD2-CZ 3.38Å; L303-F305 HydrophobicContact CG-CE1 4.15Å; L303-F305 HydrophobicContact CG-CE2 4.09Å; L303-F305 HydrophobicContact CG-CZ 3.72Å; L303-V324 HydrophobicContact CB-CB 4.48Å; L303-V324 PolarHBondContact N-O 3.4Å; L303-V324 PolarHBondContact O-N 2.92Å; L303-F327 HydrophobicContact CB-CE1 3.54Å; L303-F327 HydrophobicContact CB-CZ 3.86Å |
| 304 | H | 92.1 | Very high | 87.5 | Confident | 26 Ų | 26 | 64.9 Ų | 64.9 | 12% | 0.12 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 118.6 | -174.5 | -172.9 | -82.2 | 0 | 0 | 0 | 109.9 | I262 Y263 L265 S306 Q321 | I262-H304 WeakPolarHBondContact CA-O 3.33Å; Y263-H304 AromaticContact CD2-ND1 3.97Å; Y263-H304 PolarHBondContact N-O 3.26Å; Y263-H304 PolarHBondContact O-N 3.13Å; L265-H304 HydrophobicContact CD1-CB 3.77Å; L265-H304 HydrophobicContact CG-CB 4Å; H304-S306 PolarHBondContact CE1-OG 3.35Å; H304-S306 PolarHBondContact ND1-OG 3.06Å; H304-Q321 VanDerWaalsContact CE1-CD 3.49Å; H304-Q321 PolarHBondContact CE1-OE1 2.94Å; H304-Q321 VanDerWaalsContact CE1-OE1 3.26Å; H304-Q321 PolarHBondContact NE2-OE1 3.01Å |
| 305 | F | 94.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 130.3 | 172.6 | -51.6 | -77.6 | 0 | 0 | 0 | 109.2 | L224 F226 V239 I241 V260 K261 I262 L303 Q321 V322 V324 | L224-F305 HydrophobicContact CD2-CB 3.91Å; L224-F305 HydrophobicContact CD2-CD1 4.3Å; L224-F305 HydrophobicContact CD2-CD2 4.16Å; L224-F305 HydrophobicContact CD2-CG 3.87Å; F226-F305 HydrophobicContact CD1-CE2 4.26Å; F226-F305 HydrophobicContact CD1-CZ 4.43Å; F226-F305 AromaticContact CD2-CE2 3.87Å; F226-F305 HydrophobicContact CD2-CE2 3.87Å; F226-F305 AromaticContact CD2-CZ 3.58Å; F226-F305 HydrophobicContact CD2-CZ 3.58Å; F226-F305 HydrophobicContact CE1-CE2 4.02Å; F226-F305 AromaticContact CE2-CE2 3.58Å; F226-F305 HydrophobicContact CE2-CE2 3.58Å; F226-F305 AromaticContact CE2-CZ 3.74Å; F226-F305 HydrophobicContact CE2-CZ 3.74Å; F226-F305 HydrophobicContact CG-CE2 4.2Å; F226-F305 AromaticContact CG-CZ 3.96Å; F226-F305 HydrophobicContact CG-CZ 3.96Å; F226-F305 AromaticContact CZ-CE2 3.68Å; F226-F305 HydrophobicContact CZ-CE2 3.68Å; F226-F305 HydrophobicContact CZ-CZ 4.27Å; V239-F305 HydrophobicContact CG1-CE1 3.88Å; V239-F305 HydrophobicContact CG1-CZ 4.12Å; I241-F305 HydrophobicContact CD1-CD1 3.88Å; I241-F305 HydrophobicContact CD1-CE1 3.51Å; I241-F305 HydrophobicContact CD1-CZ 4.38Å; V260-F305 HydrophobicContact CG1-CB 4.08Å; V260-F305 HydrophobicContact CG1-CD1 4.31Å; K261-F305 WeakPolarHBondContact O-CA 3.49Å; I262-F305 HydrophobicContact CB-CD1 4.41Å; I262-F305 HydrophobicContact CD1-CE1 4.49Å; I262-F305 HydrophobicContact CG1-CD1 4.09Å; I262-F305 HydrophobicContact CG1-CE1 4.41Å; I262-F305 HydrophobicContact CG2-CD1 3.82Å; I262-F305 HydrophobicContact CG2-CE1 3.73Å; L303-F305 HydrophobicContact CD2-CE1 4.07Å; L303-F305 HydrophobicContact CD2-CE2 3.99Å; L303-F305 HydrophobicContact CD2-CZ 3.38Å; L303-F305 HydrophobicContact CG-CE1 4.15Å; L303-F305 HydrophobicContact CG-CE2 4.09Å; L303-F305 HydrophobicContact CG-CZ 3.72Å; F305-Q321 CarbonylContact O-C 3.58Å; F305-Q321 VanDerWaalsContact O-CA 3.27Å; F305-Q321 WeakPolarHBondContact O-CA 3.42Å; F305-V322 HydrophobicContact CB-CB 4.19Å; F305-V322 HydrophobicContact CD2-CB 3.96Å; F305-V322 HydrophobicContact CD2-CG1 3.95Å; F305-V322 PolarHBondContact N-O 3.35Å; F305-V322 PolarHBondContact O-N 3.46Å; F305-V324 HydrophobicContact CE2-CG2 4.13Å |
| 306 | S | 92.9 | Very high | 86 | Confident | 4 Ų | 4 | 69 Ų | 69 | 3% | 0.028 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 114.4 | 170.4 | -59.7 | 0 | 0 | 0 | 0 | 109.3 | V260 K261 H304 Y308 | V260-S306 WeakPolarHBondContact CA-O 3.41Å; K261-S306 PolarHBondContact N-O 2.85Å; K261-S306 PolarHBondContact O-N 2.91Å; H304-S306 PolarHBondContact CE1-OG 3.35Å; H304-S306 PolarHBondContact ND1-OG 3.06Å; S306-Y308 VanDerWaalsContact CB-CE2 3.48Å |
| 307 | V | 95.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 125.1 | 177.5 | -170.7 | 0 | 0 | 0 | 0 | 108.2 | L247 V260 L318 I319 G320 I343 | L247-V307 HydrophobicContact CD1-CG1 4.38Å; L247-V307 HydrophobicContact CD2-CG1 4.3Å; V260-V307 HydrophobicContact CG2-CG2 4.3Å; V307-L318 WeakPolarHBondContact O-CD1 3.38Å; V307-I319 HydrophobicContact CB-CB 4.31Å; V307-I319 HydrophobicContact CB-CG2 4.45Å; V307-I319 HydrophobicContact CG1-CB 4.15Å; V307-I319 HydrophobicContact CG1-CD1 4.27Å; V307-I319 HydrophobicContact CG1-CG2 4.2Å; V307-I319 WeakPolarHBondContact O-CB 3.38Å; V307-I319 PolarHBondContact O-N 2.92Å; V307-G320 PolarHBondContact N-O 2.94Å; V307-G320 PolarHBondContact O-N 3.38Å; V307-I343 HydrophobicContact CG2-CD1 4.07Å; V307-I343 HydrophobicContact CG2-CG1 4.39Å; V307-I343 HydrophobicContact CG2-CG2 4.43Å |
| 308 | Y | 93.4 | Very high | 85.4 | Confident | 44 Ų | 44 | 63.4 Ų | 63.4 | 17% | 0.173 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 151.6 | -177.4 | -77.9 | -84.9 | 0 | 0 | 0 | 110.7 | P258 Y259 K261 S306 H316 D317 L318 | P258-Y308 VanDerWaalsContact CA-O 3.3Å; P258-Y308 WeakPolarHBondContact CA-O 3.34Å; Y259-Y308 HydrophobicContact CE1-CG 4.26Å; Y259-Y308 HydrophobicContact CE2-CD2 4.4Å; Y259-Y308 AromaticContact CZ-CG 3.9Å; Y259-Y308 PolarHBondContact N-O 2.88Å; Y259-Y308 PolarHBondContact O-N 3.04Å; Y259-Y308 WeakPolarHBondContact OH-CB 3.38Å; K261-Y308 HydrophobicContact CD-CD2 4Å; K261-Y308 HydrophobicContact CD-CE2 3.65Å; K261-Y308 HydrophobicContact CG-CD2 4.18Å; K261-Y308 HydrophobicContact CG-CE2 4.22Å; S306-Y308 VanDerWaalsContact CB-CE2 3.48Å; Y308-H316 HydrophobicContact CD1-CB 4.33Å; Y308-D317 WeakPolarHBondContact CA-O 3.15Å; Y308-L318 HydrophobicContact CD1-CB 4.25Å; Y308-L318 HydrophobicContact CD1-CD1 4.1Å; Y308-L318 HydrophobicContact CD2-CD1 4.39Å; Y308-L318 HydrophobicContact CE1-CB 3.99Å; Y308-L318 HydrophobicContact CE1-CD1 3.75Å; Y308-L318 HydrophobicContact CE1-CG 4.48Å; Y308-L318 HydrophobicContact CE2-CD1 4.07Å; Y308-L318 HydrophobicContact CG-CD1 4.4Å |
| 309 | D | 92.8 | Very high | 85.6 | Confident | 8 Ų | 8 | 63.4 Ų | 63.4 | 4% | 0.043 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 140.4 | 157.5 | -155 | -13.8 | 0 | 0 | 0 | 110 | K250 S256 D257 H316 D317 I319 | K250-D309 HydrophobicContact CB-CB 4.35Å; K250-D309 WeakPolarHBondContact CB-OD2 3.43Å; K250-D309 HydrophobicContact CG-CB 4.33Å; S256-D309 WeakPolarHBondContact CA-OD2 3.39Å; S256-D309 VanDerWaalsContact CB-CG 3.48Å; S256-D309 WeakPolarHBondContact CB-OD2 3.41Å; S256-D309 PolarHBondContact OG-OD2 2.89Å; D257-D309 WeakPolarHBondContact CA-OD1 3.25Å; D257-D309 PolarHBondContact N-OD1 2.84Å; D309-H316 WeakPolarHBondContact O-CA 3.41Å; D309-H316 VanDerWaalsContact O-CB 3.27Å; D309-H316 WeakPolarHBondContact O-CB 3.16Å; D309-D317 HydrophobicContact CB-CB 4.19Å; D309-D317 PolarHBondContact N-O 2.79Å; D309-D317 PolarHBondContact O-N 3.37Å; D309-I319 HydrophobicContact CB-CD1 4.23Å; D309-I319 HydrophobicContact CB-CG1 4.47Å |
| 310 | F | 90.6 | Very high | 85.7 | Confident | 56 Ų | 56 | 56.5 Ų | 56.5 | 25% | 0.246 | 27% | 0.267 | C | S | . | . | trans | -90.2 | 126.6 | 173.6 | 173.2 | -89.9 | 0 | 0 | 0 | 110 | D257 Y259 V276 R312 H316 | D257-F310 HydrophobicContact CB-CB 4.01Å; D257-F310 VanDerWaalsContact O-CB 3.26Å; D257-F310 WeakPolarHBondContact O-CB 3.19Å; D257-F310 PolarHBondContact O-N 2.89Å; Y259-F310 HydrophobicContact CD1-CB 3.9Å; Y259-F310 HydrophobicContact CE1-CB 4.06Å; V276-F310 HydrophobicContact CB-CB 4.35Å; V276-F310 HydrophobicContact CB-CG 4.47Å; V276-F310 HydrophobicContact CG1-CB 3.52Å; V276-F310 HydrophobicContact CG1-CD1 4.05Å; V276-F310 HydrophobicContact CG1-CG 3.79Å; V276-F310 HydrophobicContact CG2-CB 3.82Å; V276-F310 HydrophobicContact CG2-CD2 3.86Å; V276-F310 HydrophobicContact CG2-CG 3.86Å; F310-R312 HydrophobicContact CE1-CB 4.31Å; F310-H316 AromaticContact CD2-CE1 3.4Å; F310-H316 WeakPolarHBondContact CD2-CE1 3.29Å; F310-H316 AromaticContact CD2-NE2 3.5Å; F310-H316 WeakPolarHBondContact CD2-NE2 3.44Å; F310-H316 AromaticContact CE2-CE1 3.62Å; F310-H316 AromaticContact CE2-NE2 3.49Å; F310-H316 WeakPolarHBondContact CE2-NE2 3.15Å | ||
| 311 | D | 80.1 | Confident | 86 | Confident | 49 Ų | 49 | 54.1 Ų | 54.1 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | trans | -124.3 | 129.8 | -179 | -161.4 | -30.9 | 0 | 0 | 0 | 110.2 | F313 S314 H316 | D311-F313 PolarHBondContact OD1-N 2.91Å; D311-S314 VanDerWaalsContact CG-CB 3.43Å; D311-S314 PolarHBondContact OD1-N 3.29Å; D311-S314 PolarHBondContact OD1-OG 2.88Å; D311-S314 WeakPolarHBondContact OD2-CB 3.39Å; D311-S314 PolarHBondContact OD2-OG 3.04Å; D311-H316 PolarHBondContact N-CD2 2.94Å; D311-H316 PolarHBondContact O-CD2 2.9Å; D311-H316 PolarHBondContact O-NE2 3.49Å | ||
| 312 | R | 80.5 | Confident | 86.3 | Confident | 197 Ų | 197 | 51.9 Ų | 51.9 | 74% | 0.743 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -79.1 | -27.8 | -174.2 | -176.2 | 174.2 | 178.6 | -171.8 | -0.2 | 112.9 | F310 | F310-R312 HydrophobicContact CE1-CB 4.31Š|
| 313 | F | 67.3 | Low | 86.4 | Confident | 176 Ų | 176 | 50.7 Ų | 50.7 | 77% | 0.772 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -128.2 | -2.9 | -171.3 | -57.1 | -66.2 | 0 | 0 | 0 | 113.4 | D311 | D311-F313 PolarHBondContact OD1-N 2.91Š|
| 314 | S | 63.6 | Low | 86.3 | Confident | 75 Ų | 75 | 50.9 Ų | 50.9 | 52% | 0.524 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -121.5 | -178.8 | 175.2 | -22.9 | 0 | 0 | 0 | 0 | 111.2 | D311 | D311-S314 VanDerWaalsContact CG-CB 3.43Å; D311-S314 PolarHBondContact OD1-N 3.29Å; D311-S314 PolarHBondContact OD1-OG 2.88Å; D311-S314 WeakPolarHBondContact OD2-CB 3.39Å; D311-S314 PolarHBondContact OD2-OG 3.04Å |
| 315 | R | 68.3 | Low | 86.1 | Confident | 170 Ų | 170 | 52.5 Ų | 52.5 | 64% | 0.642 | 25% | 0.245 | S | C | * | . | P | Polyproline II helix | trans | -73.8 | 136.9 | 167.3 | -68.5 | 176.9 | 172.4 | -172.7 | -5.4 | 109.3 | D317 E451 | R315-D317 PolarHBondContact O-N 2.83Å; R315-E451 IonicContact CZ-OE1 2.69Å; R315-E451 IonicContact NH2-OE1 3.19Å; R315-E451 PolarHBondContact NH2-OE1 3.27Å; R315-E451 IonicContact NH2-OE2 2.77Å; R315-E451 PolarHBondContact NH2-OE2 3.49Å |
| 316 | H | 81.7 | Confident | 85.5 | Confident | 73 Ų | 73 | 57.3 Ų | 57.3 | 34% | 0.338 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 123.6 | 179.5 | -64.4 | -176.5 | 0 | 0 | 0 | 111.2 | Y259 Y308 D309 F310 D311 | Y259-H316 HydrophobicContact CE1-CB 4.43Å; Y259-H316 AromaticContact CE1-ND1 3.7Å; Y259-H316 AromaticContact CZ-ND1 3.52Å; Y259-H316 PolarHBondContact OH-ND1 3.26Å; Y308-H316 HydrophobicContact CD1-CB 4.33Å; D309-H316 WeakPolarHBondContact O-CA 3.41Å; D309-H316 VanDerWaalsContact O-CB 3.27Å; D309-H316 WeakPolarHBondContact O-CB 3.16Å; F310-H316 AromaticContact CD2-CE1 3.4Å; F310-H316 WeakPolarHBondContact CD2-CE1 3.29Å; F310-H316 AromaticContact CD2-NE2 3.5Å; F310-H316 WeakPolarHBondContact CD2-NE2 3.44Å; F310-H316 AromaticContact CE2-CE1 3.62Å; F310-H316 AromaticContact CE2-NE2 3.49Å; F310-H316 WeakPolarHBondContact CE2-NE2 3.15Å; D311-H316 PolarHBondContact N-CD2 2.94Å; D311-H316 PolarHBondContact O-CD2 2.9Å; D311-H316 PolarHBondContact O-NE2 3.49Å |
| 317 | D | 81.1 | Confident | 85 | Confident | 75 Ų | 75 | 57.1 Ų | 57.1 | 40% | 0.401 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -84.4 | 126.3 | -166.8 | -150.9 | 41.4 | 0 | 0 | 0 | 111.1 | K250 Y308 D309 R315 I319 | K250-D317 HydrophobicContact CB-CB 4.44Å; K250-D317 WeakPolarHBondContact CD-OD2 2.91Å; K250-D317 HydrophobicContact CG-CB 4.45Å; K250-D317 WeakPolarHBondContact CG-OD2 3.39Å; K250-D317 IonicContact NZ-OD2 3.81Å; K250-D317 PolarHBondContact NZ-OD2 3.04Å; Y308-D317 WeakPolarHBondContact CA-O 3.15Å; D309-D317 HydrophobicContact CB-CB 4.19Å; D309-D317 PolarHBondContact N-O 2.79Å; D309-D317 PolarHBondContact O-N 3.37Å; R315-D317 PolarHBondContact O-N 2.83Å; D317-I319 PolarHBondContact O-N 3.31Å |
| 318 | L | 87 | Confident | 84.4 | Confident | 18 Ų | 18 | 60 Ų | 60 | 9% | 0.094 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 122 | 179.7 | -176.5 | 69.3 | 0 | 0 | 0 | 109.5 | K250 V307 Y308 Q321 V346 | K250-L318 PolarHBondContact NZ-O 2.86Å; V307-L318 WeakPolarHBondContact O-CD1 3.38Å; Y308-L318 HydrophobicContact CD1-CB 4.25Å; Y308-L318 HydrophobicContact CD1-CD1 4.1Å; Y308-L318 HydrophobicContact CD2-CD1 4.39Å; Y308-L318 HydrophobicContact CE1-CB 3.99Å; Y308-L318 HydrophobicContact CE1-CD1 3.75Å; Y308-L318 HydrophobicContact CE1-CG 4.48Å; Y308-L318 HydrophobicContact CE2-CD1 4.07Å; Y308-L318 HydrophobicContact CG-CD1 4.4Å; L318-Q321 HydrophobicContact CD1-CG 4.43Å; L318-V346 HydrophobicContact CD2-CB 4.3Å; L318-V346 HydrophobicContact CD2-CG1 4.5Å |
| 319 | I | 91.1 | Very high | 84 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -46.7 | 173.4 | -72.9 | 170.9 | 0 | 0 | 0 | 109.6 | C221 L247 P248 K250 P258 V307 D309 D317 | C221-I319 HydrophobicContact CB-CG2 4.21Å; C221-I319 PolarHBondContact SG-O 2.72Å; L247-I319 HydrophobicContact CD1-CD1 4.43Å; L247-I319 HydrophobicContact CD2-CG2 4.28Å; P248-I319 HydrophobicContact CG-CG2 3.8Å; K250-I319 HydrophobicContact CG-CG1 4.16Å; P258-I319 HydrophobicContact CB-CD1 4.47Å; V307-I319 HydrophobicContact CB-CB 4.31Å; V307-I319 HydrophobicContact CB-CG2 4.45Å; V307-I319 HydrophobicContact CG1-CB 4.15Å; V307-I319 HydrophobicContact CG1-CD1 4.27Å; V307-I319 HydrophobicContact CG1-CG2 4.2Å; V307-I319 WeakPolarHBondContact O-CB 3.38Å; V307-I319 PolarHBondContact O-N 2.92Å; D309-I319 HydrophobicContact CB-CD1 4.23Å; D309-I319 HydrophobicContact CB-CG1 4.47Å; D317-I319 PolarHBondContact O-N 3.31Å |
| 320 | G | 91 | Very high | 83.6 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.1 | -172 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V307 E344 | V307-G320 PolarHBondContact N-O 2.94Å; V307-G320 PolarHBondContact O-N 3.38Å; G320-E344 CarbonylContact C-O 3.57Å; G320-E344 WeakPolarHBondContact CA-O 2.92Å |
| 321 | Q | 91.9 | Very high | 83 | Confident | 29 Ų | 29 | 67.9 Ų | 67.9 | 14% | 0.136 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 159.1 | -176.8 | -59.1 | -179.1 | 6.2 | 0 | 0 | 111.6 | H304 F305 L318 E344 V346 | H304-Q321 VanDerWaalsContact CE1-CD 3.49Å; H304-Q321 PolarHBondContact CE1-OE1 2.94Å; H304-Q321 VanDerWaalsContact CE1-OE1 3.26Å; H304-Q321 PolarHBondContact NE2-OE1 3.01Å; F305-Q321 CarbonylContact O-C 3.58Å; F305-Q321 VanDerWaalsContact O-CA 3.27Å; F305-Q321 WeakPolarHBondContact O-CA 3.42Å; L318-Q321 HydrophobicContact CD1-CG 4.43Å; Q321-E344 PolarHBondContact N-O 3.3Å; Q321-E344 PolarHBondContact O-N 3.08Å; Q321-V346 HydrophobicContact CB-CG2 3.84Å; Q321-V346 HydrophobicContact CG-CB 4.19Å; Q321-V346 HydrophobicContact CG-CG2 3.83Å |
| 322 | V | 93.4 | Very high | 83.2 | Confident | 4 Ų | 4 | 70.5 Ų | 70.5 | 2% | 0.024 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 129.7 | 167.6 | 175 | 0 | 0 | 0 | 0 | 107.4 | L224 F226 F305 K341 I343 | L224-V322 HydrophobicContact CB-CG2 4.21Å; L224-V322 HydrophobicContact CD2-CG2 4.39Å; F226-V322 HydrophobicContact CE1-CG1 4.39Å; F305-V322 HydrophobicContact CB-CB 4.19Å; F305-V322 HydrophobicContact CD2-CB 3.96Å; F305-V322 HydrophobicContact CD2-CG1 3.95Å; F305-V322 PolarHBondContact N-O 3.35Å; F305-V322 PolarHBondContact O-N 3.46Å; V322-K341 HydrophobicContact CG1-CB 3.49Å; V322-K341 VanDerWaalsContact CG1-CB 3.49Å; V322-K341 HydrophobicContact CG1-CG 3.8Å; V322-K341 HydrophobicContact CG2-CB 4.31Å; V322-I343 HydrophobicContact CG2-CB 4.39Å; V322-I343 HydrophobicContact CG2-CG1 3.9Å |
| 323 | V | 92.2 | Very high | 83.5 | Confident | 60 Ų | 60 | 62.2 Ų | 62.2 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 137.4 | 173.6 | -168.4 | 0 | 0 | 0 | 0 | 109.3 | K302 | K302-V323 HydrophobicContact CB-CG1 4.47Å |
| 324 | V | 90.9 | Very high | 84.3 | Confident | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 121.8 | 166.4 | -172.1 | 0 | 0 | 0 | 0 | 107.9 | F226 K302 L303 F305 F327 | F226-V324 HydrophobicContact CE2-CG2 3.94Å; F226-V324 HydrophobicContact CZ-CG2 3.6Å; K302-V324 CarbonylContact C-O 3.6Å; K302-V324 WeakPolarHBondContact CA-O 3.27Å; L303-V324 HydrophobicContact CB-CB 4.48Å; L303-V324 PolarHBondContact N-O 3.4Å; L303-V324 PolarHBondContact O-N 2.92Å; F305-V324 HydrophobicContact CE2-CG2 4.13Å; V324-F327 HydrophobicContact CB-CD1 4.39Å; V324-F327 HydrophobicContact CB-CE1 4.08Å; V324-F327 HydrophobicContact CG1-CD1 3.74Å; V324-F327 HydrophobicContact CG1-CE1 3.94Å; V324-F327 VanDerWaalsContact O-CE1 3.22Å; V324-F327 WeakPolarHBondContact O-CE1 3.36Å |
| 325 | D | 88.4 | Confident | 85.5 | Confident | 61 Ų | 61 | 62.3 Ų | 62.3 | 33% | 0.326 | 32% | 0.316 | S | S | . | . | trans | -116.6 | 176.1 | 166.4 | 42.9 | 18.9 | 0 | 0 | 0 | 109.9 | K302 F327 | K302-D325 HydrophobicContact CB-CB 4.41Å; K302-D325 HydrophobicContact CD-CB 3.66Å; K302-D325 WeakPolarHBondContact CE-OD2 3.4Å; K302-D325 HydrophobicContact CG-CB 3.76Å; K302-D325 IonicContact NZ-OD2 3.88Å; K302-D325 PolarHBondContact NZ-OD2 3.05Å; D325-F327 VanDerWaalsContact C-N 3.31Å; D325-F327 PolarHBondContact O-N 3.42Å | ||
| 326 | H | 83.1 | Confident | 86.6 | Confident | 100 Ų | 100 | 60.3 Ų | 60.3 | 46% | 0.463 | 31% | 0.313 | S | S | . | . | trans | 52 | 45.2 | 175 | -55.3 | -77.2 | 0 | 0 | 0 | 113.5 | L328 D329 | H326-L328 PolarHBondContact O-N 3.36Å; H326-D329 WeakPolarHBondContact O-CB 3.19Å; H326-D329 PolarHBondContact O-N 3.01Å | ||
| 327 | F | 80.8 | Confident | 87.1 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 0% | 0.004 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -55.9 | -28.3 | -176 | -36.7 | -78.3 | 0 | 0 | 0 | 113.6 | L228 L264 R301 L303 V324 D325 D329 L330 F333 | L228-F327 HydrophobicContact CD1-CD1 4.27Å; L264-F327 HydrophobicContact CD1-CZ 4.38Å; R301-F327 HydrophobicContact CB-CE2 4.02Å; R301-F327 VanDerWaalsContact O-CE2 3.26Å; R301-F327 WeakPolarHBondContact O-CE2 3.42Å; L303-F327 HydrophobicContact CB-CE1 3.54Å; L303-F327 HydrophobicContact CB-CZ 3.86Å; V324-F327 HydrophobicContact CB-CD1 4.39Å; V324-F327 HydrophobicContact CB-CE1 4.08Å; V324-F327 HydrophobicContact CG1-CD1 3.74Å; V324-F327 HydrophobicContact CG1-CE1 3.94Å; V324-F327 VanDerWaalsContact O-CE1 3.22Å; V324-F327 WeakPolarHBondContact O-CE1 3.36Å; D325-F327 VanDerWaalsContact C-N 3.31Å; D325-F327 PolarHBondContact O-N 3.42Å; F327-D329 PolarHBondContact O-N 3.47Å; F327-L330 HydrophobicContact CB-CD1 4.32Å; F327-L330 VanDerWaalsContact O-CB 3.32Å; F327-L330 WeakPolarHBondContact O-CB 3.27Å; F327-L330 WeakPolarHBondContact O-CG 3.5Å; F327-L330 PolarHBondContact O-N 3.33Å; F327-F333 HydrophobicContact CB-CE1 4.4Å; F327-F333 HydrophobicContact CB-CE2 4.35Å; F327-F333 HydrophobicContact CB-CZ 4.26Å; F327-F333 WeakPolarHBondContact O-CB 3.35Å; F327-F333 WeakPolarHBondContact O-CG 3.3Å |
| 328 | L | 83.8 | Confident | 87.7 | Confident | 60 Ų | 60 | 58.4 Ų | 58.4 | 31% | 0.314 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -65.3 | -23.1 | 179.3 | -54.2 | -179.6 | 0 | 0 | 0 | 112.6 | Y295 L298 E299 H326 L330 F333 | Y295-L328 HydrophobicContact CE2-CD2 4.26Å; L298-L328 HydrophobicContact CB-CD2 4.43Å; L298-L328 HydrophobicContact CD1-CD2 4.42Å; E299-L328 HydrophobicContact CB-CD1 4.04Å; E299-L328 HydrophobicContact CG-CD1 4.47Å; H326-L328 PolarHBondContact O-N 3.36Å; L328-L330 VanDerWaalsContact C-N 3.33Å; L328-F333 HydrophobicContact CD2-CD1 4.04Å; L328-F333 HydrophobicContact CD2-CE1 3.76Å |
| 329 | D | 83.9 | Confident | 88.1 | Confident | 132 Ų | 132 | 58.9 Ų | 58.9 | 71% | 0.706 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -87.2 | -2.3 | 179.6 | -59.8 | -17.7 | 0 | 0 | 0 | 112.6 | H326 F327 | H326-D329 WeakPolarHBondContact O-CB 3.19Å; H326-D329 PolarHBondContact O-N 3.01Å; F327-D329 PolarHBondContact O-N 3.47Å |
| 330 | L | 85.2 | Confident | 88.2 | Confident | 38 Ų | 38 | 64.8 Ų | 64.8 | 20% | 0.199 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -77.8 | 123.8 | 177.3 | -60.3 | 171.8 | 0 | 0 | 0 | 109.9 | L228 F327 L328 D332 F333 L339 | L228-L330 HydrophobicContact CD1-CD1 4.12Å; F327-L330 HydrophobicContact CB-CD1 4.32Å; F327-L330 VanDerWaalsContact O-CB 3.32Å; F327-L330 WeakPolarHBondContact O-CB 3.27Å; F327-L330 WeakPolarHBondContact O-CG 3.5Å; F327-L330 PolarHBondContact O-N 3.33Å; L328-L330 VanDerWaalsContact C-N 3.33Å; L330-D332 PolarHBondContact O-N 3.04Å; L330-F333 HydrophobicContact CB-CB 4.04Å; L330-F333 WeakPolarHBondContact O-CB 3.15Å; L330-F333 PolarHBondContact O-N 3.37Å; L330-L339 HydrophobicContact CD1-CD1 3.94Å; L330-L339 HydrophobicContact CD2-CD2 4.25Å |
| 331 | A | 78 | Confident | 88.4 | Confident | 103 Ų | 103 | 68.7 Ų | 68.7 | 85% | 0.851 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -28.9 | -167.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 332 | D | 84.8 | Confident | 88.6 | Confident | 105 Ų | 105 | 71.9 Ų | 71.9 | 56% | 0.561 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -6 | 179.5 | -62.7 | -64.9 | 0 | 0 | 0 | 113.8 | L330 R335 C337 | L330-D332 PolarHBondContact O-N 3.04Å; D332-R335 CarbonylContact O-C 3.54Å; D332-R335 VanDerWaalsContact O-CA 3.29Å; D332-R335 WeakPolarHBondContact O-CA 3.42Å; D332-R335 WeakPolarHBondContact O-CB 3.49Å; D332-R335 PolarHBondContact O-N 3.03Å; D332-C337 HydrophobicContact CB-CB 4.45Å |
| 333 | F | 86.8 | Confident | 88.6 | Confident | 23 Ų | 23 | 72 Ų | 72 | 10% | 0.101 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 143.6 | -175.1 | -163.8 | -95.9 | 0 | 0 | 0 | 110.4 | Y230 L237 L298 F327 L328 L330 C337 | Y230-F333 HydrophobicContact CG-CZ 4.49Å; L237-F333 HydrophobicContact CD1-CE2 3.98Å; L237-F333 HydrophobicContact CD1-CZ 4.13Å; L298-F333 HydrophobicContact CD1-CE1 4.12Å; L298-F333 HydrophobicContact CD1-CZ 4.12Å; F327-F333 HydrophobicContact CB-CE1 4.4Å; F327-F333 HydrophobicContact CB-CE2 4.35Å; F327-F333 HydrophobicContact CB-CZ 4.26Å; F327-F333 WeakPolarHBondContact O-CB 3.35Å; F327-F333 WeakPolarHBondContact O-CG 3.3Å; L328-F333 HydrophobicContact CD2-CD1 4.04Å; L328-F333 HydrophobicContact CD2-CE1 3.76Å; L330-F333 HydrophobicContact CB-CB 4.04Å; L330-F333 WeakPolarHBondContact O-CB 3.15Å; L330-F333 PolarHBondContact O-N 3.37Å; F333-C337 WeakPolarHBondContact CA-SG 3.35Å; F333-C337 PolarHBondContact N-SG 3.44Å |
| 334 | P | 83.8 | Confident | 88.6 | Confident | 47 Ų | 47 | 75.3 Ų | 75.3 | 31% | 0.305 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -81.1 | 8.6 | 5.4 | 32 | -36.6 | 0 | 0 | 0 | 116.7 | Y230 | Y230-P334 PolarHBondContact N-O 2.8Š|
| 335 | R | 88.8 | Confident | 88.1 | Confident | 206 Ų | 206 | 80 Ų | 80 | 78% | 0.777 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -77 | -167.5 | 177.4 | -48.3 | 179.6 | 173.4 | -174.3 | -2.3 | 110.7 | L228 D332 C337 | L228-R335 VanDerWaalsContact O-O 3.07Å; D332-R335 CarbonylContact O-C 3.54Å; D332-R335 VanDerWaalsContact O-CA 3.29Å; D332-R335 WeakPolarHBondContact O-CA 3.42Å; D332-R335 WeakPolarHBondContact O-CB 3.49Å; D332-R335 PolarHBondContact O-N 3.03Å; R335-C337 PolarHBondContact O-N 2.96Å; R335-C337 VanDerWaalsContact O-N 3.08Å; R335-C337 PolarHBondContact O-SG 3.05Å |
| 336 | E | 90.9 | Very high | 87.2 | Confident | 127 Ų | 127 | 77.9 Ų | 77.9 | 59% | 0.593 | 38% | 0.384 | S | S | * | . | trans | -75.4 | 92.4 | -174.2 | -167.1 | 174 | -173.2 | 0 | 0 | 112.3 | I227 L228 | I227-E336 HydrophobicContact CG2-CG 3.28Å; L228-E336 CarbonylContact O-C 3.51Å; L228-E336 WeakPolarHBondContact O-CA 3.44Å | ||
| 337 | C | 92.3 | Very high | 85.9 | Confident | 2 Ų | 2 | 76 Ų | 76 | 1% | 0.014 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 112.8 | 177 | -52 | 0 | 0 | 0 | 0 | 111.1 | I227 L228 D332 F333 R335 L339 | I227-C337 VanDerWaalsContact CA-O 3.27Å; I227-C337 WeakPolarHBondContact CA-O 3.34Å; L228-C337 HydrophobicContact CB-CB 4.39Å; L228-C337 PolarHBondContact N-O 2.9Å; L228-C337 PolarHBondContact O-N 3.48Å; D332-C337 HydrophobicContact CB-CB 4.45Å; F333-C337 WeakPolarHBondContact CA-SG 3.35Å; F333-C337 PolarHBondContact N-SG 3.44Å; R335-C337 PolarHBondContact O-N 2.96Å; R335-C337 VanDerWaalsContact O-N 3.08Å; R335-C337 PolarHBondContact O-SG 3.05Å; C337-L339 HydrophobicContact CB-CG 4.41Å |
| 338 | I | 94.3 | Very high | 84.6 | Confident | 107 Ų | 107 | 79.4 Ų | 79.4 | 55% | 0.549 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 111.8 | 173.6 | -53.6 | -179.8 | 0 | 0 | 0 | 109.6 | I227 | I227-I338 HydrophobicContact CD1-CG1 4.14Å; I227-I338 HydrophobicContact CG1-CG1 4.15Å; I227-I338 HydrophobicContact CG1-CG2 4.36Å; I227-I338 HydrophobicContact CG2-CG1 4.38Å |
| 339 | L | 93.8 | Very high | 82.9 | Confident | 28 Ų | 28 | 80.8 Ų | 80.8 | 15% | 0.147 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 138 | -173.2 | -64.5 | 176.7 | 0 | 0 | 0 | 112.7 | N225 F226 L228 L330 C337 | N225-L339 WeakPolarHBondContact CA-O 3.36Å; N225-L339 PolarHBondContact ND2-O 3.38Å; F226-L339 HydrophobicContact CD2-CB 4.35Å; F226-L339 HydrophobicContact CD2-CD1 4.41Å; F226-L339 HydrophobicContact CE1-CB 4.15Å; F226-L339 HydrophobicContact CE2-CB 3.89Å; F226-L339 HydrophobicContact CE2-CD1 3.55Å; F226-L339 HydrophobicContact CE2-CG 4.33Å; F226-L339 HydrophobicContact CZ-CB 3.76Å; F226-L339 HydrophobicContact CZ-CD1 3.88Å; F226-L339 PolarHBondContact N-O 2.93Å; F226-L339 PolarHBondContact O-N 3.29Å; L228-L339 HydrophobicContact CD1-CD1 3.73Å; L228-L339 HydrophobicContact CG-CD1 4.12Å; L330-L339 HydrophobicContact CD1-CD1 3.94Å; L330-L339 HydrophobicContact CD2-CD2 4.25Å; C337-L339 HydrophobicContact CB-CG 4.41Å |
| 340 | W | 95.1 | Very high | 81.4 | Confident | 124 Ų | 124 | 80.1 Ų | 80.1 | 47% | 0.47 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129.6 | 163.1 | -76.4 | 90.9 | 0 | 0 | 0 | 108.8 | K223 N225 K243 V245 | K223-W340 HydrophobicContact CB-CE3 3.87Å; K223-W340 HydrophobicContact CB-CZ3 4.11Å; K223-W340 HydrophobicContact CD-CE3 4.36Å; N225-W340 HydrophobicContact CB-CD2 3.69Å; N225-W340 HydrophobicContact CB-CE3 3.69Å; N225-W340 HydrophobicContact CB-CG 4.43Å; N225-W340 HydrophobicContact CB-CH2 3.68Å; N225-W340 HydrophobicContact CB-CZ2 3.67Å; N225-W340 HydrophobicContact CB-CZ3 3.68Å; N225-W340 PolarHBondContact ND2-NE1 3.22Å; K243-W340 HydrophobicContact CG-CH2 4.43Å; V245-W340 HydrophobicContact CG1-CH2 4.03Å; V245-W340 HydrophobicContact CG1-CZ3 4.21Å; V245-W340 HydrophobicContact CG2-CH2 4.33Å; V245-W340 HydrophobicContact CG2-CZ3 3.77Å |
| 341 | K | 94.8 | Very high | 80.3 | Confident | 82 Ų | 82 | 80 Ų | 80 | 36% | 0.357 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 140.1 | 172.7 | -70.1 | -77.2 | -173.6 | 162.7 | 0 | 109.5 | K223 L224 F226 V322 | K223-K341 CarbonylContact C-O 3.59Å; K223-K341 VanDerWaalsContact CA-O 3.3Å; K223-K341 WeakPolarHBondContact CA-O 3.45Å; L224-K341 PolarHBondContact N-O 2.87Å; L224-K341 PolarHBondContact O-N 2.86Å; F226-K341 HydrophobicContact CE1-CB 4.17Å; F226-K341 HydrophobicContact CE1-CG 3.93Å; F226-K341 HydrophobicContact CZ-CG 3.97Å; V322-K341 HydrophobicContact CG1-CB 3.49Å; V322-K341 VanDerWaalsContact CG1-CB 3.49Å; V322-K341 HydrophobicContact CG1-CG 3.8Å; V322-K341 HydrophobicContact CG2-CB 4.31Å |
| 342 | D | 94.9 | Very high | 80 | Confident | 96 Ų | 96 | 78.1 Ų | 78.1 | 51% | 0.513 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 140 | 166.8 | -73.7 | -87.7 | 0 | 0 | 0 | 110.1 | K223 | K223-D342 IonicContact NZ-OD1 2.99Å; K223-D342 PolarHBondContact NZ-OD1 3.24Å; K223-D342 IonicContact NZ-OD2 3.23Å; K223-D342 PolarHBondContact NZ-OD2 3.45Å |
| 343 | I | 95 | Very high | 80.2 | Confident | 6 Ų | 6 | 73.2 Ų | 73.2 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | trans | -85 | 115.9 | 176.5 | -63.1 | 164.5 | 0 | 0 | 0 | 107.2 | C221 G222 L224 L247 V307 V322 | C221-I343 HydrophobicContact CB-CB 4.1Å; C221-I343 HydrophobicContact CB-CG2 3.78Å; C221-I343 WeakPolarHBondContact O-CD1 3.31Å; G222-I343 PolarHBondContact O-N 3.4Å; L224-I343 HydrophobicContact CB-CD1 4.2Å; L224-I343 HydrophobicContact CB-CG1 4.04Å; L247-I343 HydrophobicContact CD2-CD1 3.43Å; L247-I343 VanDerWaalsContact CD2-CD1 3.43Å; V307-I343 HydrophobicContact CG2-CD1 4.07Å; V307-I343 HydrophobicContact CG2-CG1 4.39Å; V307-I343 HydrophobicContact CG2-CG2 4.43Å; V322-I343 HydrophobicContact CG2-CB 4.39Å; V322-I343 HydrophobicContact CG2-CG1 3.9Å | ||
| 344 | E | 90.4 | Very high | 80.3 | Confident | 130 Ų | 130 | 72.1 Ų | 72.1 | 61% | 0.607 | 35% | 0.347 | S | S | * | . | B | Isolated β-bridge | trans | -77.4 | 129.7 | -179.2 | -64.3 | -174.6 | 172.8 | 0 | 0 | 110.2 | G320 Q321 V346 | G320-E344 CarbonylContact C-O 3.57Å; G320-E344 WeakPolarHBondContact CA-O 2.92Å; Q321-E344 PolarHBondContact N-O 3.3Å; Q321-E344 PolarHBondContact O-N 3.08Å; E344-V346 PolarHBondContact O-N 3.28Å |
| 345 | Y | 82.4 | Confident | 80.7 | Confident | 101 Ų | 101 | 71.8 Ų | 71.8 | 40% | 0.396 | 34% | 0.342 | S | S | . | . | trans | -73 | 98.9 | 173 | -177.4 | -107 | 0 | 0 | 0 | 109.9 | K219 C221 T347 | K219-Y345 HydrophobicContact CB-CG 4.21Å; K219-Y345 HydrophobicContact CD-CD1 4.38Å; K219-Y345 HydrophobicContact CD-CE1 4.28Å; C221-Y345 VanDerWaalsContact SG-CD2 3.54Å; Y345-T347 HydrophobicContact CD1-CG2 4.29Å; Y345-T347 HydrophobicContact CE1-CG2 3.63Å | ||
| 346 | V | 68.3 | Low | 81.2 | Confident | 17 Ų | 17 | 62 Ų | 62 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | trans | -90.6 | 115.5 | 175.8 | 178.2 | 0 | 0 | 0 | 0 | 109 | L318 Q321 E344 N350 | L318-V346 HydrophobicContact CD2-CB 4.3Å; L318-V346 HydrophobicContact CD2-CG1 4.5Å; Q321-V346 HydrophobicContact CB-CG2 3.84Å; Q321-V346 HydrophobicContact CG-CB 4.19Å; Q321-V346 HydrophobicContact CG-CG2 3.83Å; E344-V346 PolarHBondContact O-N 3.28Å; V346-N350 HydrophobicContact CG1-CB 3.66Å | ||
| 347 | T | 56.6 | Low | 81.5 | Confident | 61 Ų | 61 | 57.8 Ų | 57.8 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | trans | -68.2 | 151.8 | 165.8 | 57.7 | 0 | 0 | 0 | 0 | 109.8 | Y345 D349 N350 | Y345-T347 HydrophobicContact CD1-CG2 4.29Å; Y345-T347 HydrophobicContact CE1-CG2 3.63Å; T347-D349 WeakPolarHBondContact CB-OD2 3.31Å; T347-D349 PolarHBondContact O-N 2.04Å; T347-D349 PolarHBondContact OG1-OD2 2.95Å; T347-N350 PolarHBondContact O-N 3.48Å; T347-N350 VanDerWaalsContact O-N 3.16Å | ||
| 348 | N | 51.8 | Low | 81.8 | Confident | 73 Ų | 73 | 57.7 Ų | 57.7 | 39% | 0.39 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -59.2 | -13.3 | -177 | -100.9 | 21.7 | 0 | 0 | 0 | 114.5 | N350 V351 E489 | N348-N350 PolarHBondContact O-N 3.47Å; N348-N350 VanDerWaalsContact O-N 3.09Å; N348-V351 PolarHBondContact O-N 3.02Å; N348-E489 WeakPolarHBondContact CB-OE2 3.48Å; N348-E489 VanDerWaalsContact ND2-CD 3.34Å; N348-E489 PolarHBondContact ND2-OE1 3.46Å; N348-E489 PolarHBondContact ND2-OE2 3.16Å |
| 349 | D | 49.3 | Very low | 82 | Confident | 88 Ų | 88 | 53 Ų | 53 | 47% | 0.471 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -53.5 | -25.2 | 172.2 | -50.3 | -88.9 | 0 | 0 | 0 | 113.4 | T347 | T347-D349 WeakPolarHBondContact CB-OD2 3.31Å; T347-D349 PolarHBondContact O-N 2.04Å; T347-D349 PolarHBondContact OG1-OD2 2.95Å |
| 350 | N | 51.3 | Low | 82.2 | Confident | 118 Ų | 118 | 51.7 Ų | 51.7 | 63% | 0.631 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -99.4 | 12 | 179.6 | -70.9 | -15.6 | 0 | 0 | 0 | 114.2 | V346 T347 N348 D352 | V346-N350 HydrophobicContact CG1-CB 3.66Å; T347-N350 PolarHBondContact O-N 3.48Å; T347-N350 VanDerWaalsContact O-N 3.16Å; N348-N350 PolarHBondContact O-N 3.47Å; N348-N350 VanDerWaalsContact O-N 3.09Å; N350-D352 PolarHBondContact O-N 3.45Å |
| 351 | V | 62.5 | Low | 82.3 | Confident | 37 Ų | 37 | 46.5 Ų | 46.5 | 22% | 0.224 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -71.2 | 116.9 | 163.7 | -176.1 | 0 | 0 | 0 | 0 | 107.3 | N348 L353 K380 | N348-V351 PolarHBondContact O-N 3.02Å; V351-L353 HydrophobicContact CB-CD2 4.08Å; V351-L353 HydrophobicContact CG1-CD2 3.66Å; V351-L353 WeakPolarHBondContact O-CG 3.48Å; V351-L353 PolarHBondContact O-N 2.91Å; V351-K380 HydrophobicContact CG1-CD 4.34Å |
| 352 | D | 73.1 | Confident | 82.5 | Confident | 62 Ų | 62 | 43 Ų | 43 | 33% | 0.332 | 22% | 0.222 | S | C | . | . | trans | -69.3 | 97.7 | 172.9 | 178.5 | 11.1 | 0 | 0 | 0 | 109.7 | R268 N350 G354 | R268-D352 IonicContact CZ-OD2 2.71Å; R268-D352 IonicContact NH1-OD2 3.14Å; R268-D352 PolarHBondContact NH1-OD2 3.5Å; R268-D352 IonicContact NH2-OD2 2.67Å; R268-D352 PolarHBondContact NH2-OD2 3.43Å; N350-D352 PolarHBondContact O-N 3.45Å; D352-G354 PolarHBondContact O-N 3.19Å; D352-G354 WeakPolarHBondContact OD1-CA 3.16Å; D352-G354 PolarHBondContact OD1-N 3.01Å | ||
| 353 | L | 87.7 | Confident | 82.5 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | trans | -81.2 | -1.2 | 177.2 | -52.1 | 176.7 | 0 | 0 | 0 | 112.5 | V351 L379 K380 I453 L487 V488 E489 | V351-L353 HydrophobicContact CB-CD2 4.08Å; V351-L353 HydrophobicContact CG1-CD2 3.66Å; V351-L353 WeakPolarHBondContact O-CG 3.48Å; V351-L353 PolarHBondContact O-N 2.91Å; L353-L379 WeakPolarHBondContact O-CA 3.37Å; L353-K380 HydrophobicContact CD2-CB 4.39Å; L353-K380 HydrophobicContact CD2-CD 3.48Å; L353-K380 VanDerWaalsContact CD2-CD 3.48Å; L353-K380 PolarHBondContact O-N 3.23Å; L353-I453 WeakPolarHBondContact CD1-O 3.15Å; L353-L487 HydrophobicContact CB-CB 3.89Å; L353-V488 WeakPolarHBondContact CD1-O 3.45Å; L353-E489 HydrophobicContact CD1-CB 4.46Å; L353-E489 HydrophobicContact CD1-CG 3.79Å; L353-E489 HydrophobicContact CD2-CG 4.42Å | ||
| 354 | G | 90.1 | Very high | 82.5 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | 92.6 | -177.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | D352 R377 N378 L487 | D352-G354 PolarHBondContact O-N 3.19Å; D352-G354 WeakPolarHBondContact OD1-CA 3.16Å; D352-G354 PolarHBondContact OD1-N 3.01Å; G354-R377 VanDerWaalsContact CA-O 3.29Å; G354-R377 WeakPolarHBondContact CA-O 3.39Å; G354-N378 WeakPolarHBondContact CA-O 3.48Å; G354-N378 PolarHBondContact N-O 3.19Å; G354-L487 WeakPolarHBondContact O-CB 3.15Å; G354-L487 WeakPolarHBondContact O-CG 3.33Å; G354-L487 PolarHBondContact O-N 3.35Å | ||
| 355 | E | 92.3 | Very high | 82.7 | Confident | 41 Ų | 41 | 43.8 Ų | 43.8 | 19% | 0.192 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 143.5 | -176.5 | -54.8 | -177.3 | 107.2 | 0 | 0 | 111.2 | A376 R377 W484 H485 S486 | E355-A376 CarbonylContact O-C 3.47Å; E355-A376 WeakPolarHBondContact O-CA 3.22Å; E355-A376 WeakPolarHBondContact O-CB 3.34Å; E355-R377 HydrophobicContact CB-CG 4.28Å; E355-R377 PolarHBondContact N-O 3.44Å; E355-R377 PolarHBondContact O-N 2.98Å; E355-R377 IonicContact OE1-NH2 3.37Å; E355-R377 IonicContact OE2-CZ 3.73Å; E355-R377 IonicContact OE2-NE 2.58Å; E355-R377 PolarHBondContact OE2-NE 3.32Å; E355-R377 IonicContact OE2-NH2 3.77Å; E355-R377 PolarHBondContact OE2-NH2 2.63Å; E355-W484 HydrophobicContact CB-CE3 3.8Å; E355-W484 HydrophobicContact CB-CZ3 4.24Å; E355-H485 WeakPolarHBondContact CA-O 3.35Å; E355-S486 PolarHBondContact OE1-OG 3.16Å |
| 356 | L | 97.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 127.7 | 178.4 | -175.3 | 68.9 | 0 | 0 | 0 | 110.6 | F358 I373 A376 V392 I439 V441 H485 L487 | L356-F358 HydrophobicContact CD2-CD1 3.99Å; L356-F358 HydrophobicContact CD2-CE1 4.47Å; L356-F358 HydrophobicContact CG-CD1 4.08Å; L356-I373 HydrophobicContact CD1-CG2 4.14Å; L356-A376 HydrophobicContact CD1-CB 3.89Å; L356-V392 HydrophobicContact CD1-CG2 3.97Å; L356-V392 HydrophobicContact CD2-CG1 4.06Å; L356-I439 HydrophobicContact CD2-CG2 3.54Å; L356-V441 HydrophobicContact CD1-CG2 4.32Å; L356-V441 HydrophobicContact CD2-CG2 4.08Å; L356-H485 PolarHBondContact N-O 3.21Å; L356-H485 PolarHBondContact O-N 3.47Å; L356-L487 HydrophobicContact CB-CD2 4.12Å |
| 357 | M | 97.8 | Very high | 84.6 | Confident | 38 Ų | 38 | 42.1 Ų | 42.1 | 19% | 0.187 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 124.2 | 170 | -165.3 | -174.2 | -178.7 | 0 | 0 | 109.9 | I374 K375 A482 H483 W484 | M357-I374 HydrophobicContact CB-CB 4.44Å; M357-I374 HydrophobicContact CE-CD1 4.12Å; M357-I374 HydrophobicContact CG-CB 4.39Å; M357-I374 HydrophobicContact CG-CD1 4.22Å; M357-I374 WeakPolarHBondContact O-CB 3.32Å; M357-I374 PolarHBondContact O-N 3.02Å; M357-I374 HydrophobicContact SD-CB 4.49Å; M357-I374 HydrophobicContact SD-CD1 4.3Å; M357-I374 HydrophobicContact SD-CG2 4.22Å; M357-K375 WeakPolarHBondContact CA-O 3.5Å; M357-K375 HydrophobicContact CB-CG 4.04Å; M357-K375 WeakPolarHBondContact CB-O 3.46Å; M357-K375 PolarHBondContact N-O 3.03Å; M357-K375 PolarHBondContact O-N 2.93Å; M357-K375 HydrophobicContact SD-CG 4.4Å; M357-A482 HydrophobicContact CE-CB 4.22Å; M357-H483 WeakPolarHBondContact CA-O 3.46Å; M357-W484 HydrophobicContact CB-CD2 3.78Å; M357-W484 HydrophobicContact CB-CE3 3.68Å; M357-W484 HydrophobicContact CB-CG 4.49Å; M357-W484 HydrophobicContact CB-CH2 3.97Å; M357-W484 HydrophobicContact CB-CZ2 4.06Å; M357-W484 HydrophobicContact CB-CZ3 3.76Å; M357-W484 HydrophobicContact CG-CD2 4.15Å; M357-W484 HydrophobicContact CG-CG 4.49Å; M357-W484 HydrophobicContact CG-CZ2 4.44Å; M357-W484 HydrophobicContact SD-CZ2 4.07Å |
| 358 | F | 98.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 158.8 | 172.3 | 59.6 | -90.7 | 0 | 0 | 0 | 110.6 | L356 L360 I371 T372 I373 I439 V458 H469 H483 H485 | L356-F358 HydrophobicContact CD2-CD1 3.99Å; L356-F358 HydrophobicContact CD2-CE1 4.47Å; L356-F358 HydrophobicContact CG-CD1 4.08Å; F358-L360 HydrophobicContact CD2-CD2 4.11Å; F358-L360 HydrophobicContact CD2-CG 4.16Å; F358-L360 HydrophobicContact CE2-CD1 4.3Å; F358-L360 HydrophobicContact CE2-CD2 4.05Å; F358-L360 HydrophobicContact CE2-CG 3.98Å; F358-I371 HydrophobicContact CB-CD1 4.47Å; F358-I371 HydrophobicContact CB-CG1 4.31Å; F358-I371 HydrophobicContact CD2-CD1 3.68Å; F358-I371 HydrophobicContact CD2-CG1 3.94Å; F358-I371 HydrophobicContact CE2-CD1 4.12Å; F358-I371 HydrophobicContact CG-CD1 4.14Å; F358-I371 HydrophobicContact CG-CG1 4.4Å; F358-T372 CarbonylContact C-O 3.55Å; F358-T372 WeakPolarHBondContact CA-O 3.07Å; F358-T372 VanDerWaalsContact CB-O 3.26Å; F358-T372 WeakPolarHBondContact CB-O 3.23Å; F358-I373 HydrophobicContact CB-CD1 3.95Å; F358-I439 HydrophobicContact CD1-CD1 4.24Å; F358-I439 HydrophobicContact CD2-CD1 4.34Å; F358-I439 HydrophobicContact CE1-CD1 3.71Å; F358-I439 HydrophobicContact CE2-CD1 3.84Å; F358-I439 HydrophobicContact CZ-CD1 3.49Å; F358-I439 VanDerWaalsContact CZ-CD1 3.49Å; F358-V458 HydrophobicContact CE2-CG1 3.93Å; F358-V458 HydrophobicContact CE2-CG2 4.32Å; F358-V458 HydrophobicContact CZ-CG1 3.66Å; F358-H469 AromaticContact CD2-CE1 3.73Å; F358-H469 AromaticContact CE2-CE1 3.46Å; F358-H469 VanDerWaalsContact CE2-CE1 3.46Å; F358-H469 WeakPolarHBondContact CE2-CE1 3.35Å; F358-H469 AromaticContact CE2-ND1 3.59Å; F358-H483 PolarHBondContact N-O 3.25Å; F358-H483 PolarHBondContact O-N 2.66Å; F358-H485 HydrophobicContact CE1-CB 3.95Å; F358-H485 AromaticContact CE1-CD2 3.38Å; F358-H485 WeakPolarHBondContact CE1-CD2 3.41Å; F358-H485 AromaticContact CE1-CG 3.67Å; F358-H485 AromaticContact CZ-CD2 3.37Å; F358-H485 WeakPolarHBondContact CZ-CD2 3.22Å; F358-H485 AromaticContact CZ-CG 3.8Å |
| 359 | S | 98.4 | Very high | 88.7 | Confident | 10 Ų | 10 | 40.9 Ų | 40.9 | 7% | 0.07 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 139.8 | 172.5 | 70 | 0 | 0 | 0 | 0 | 112.3 | I371 T372 I481 | S359-I371 CarbonylContact O-C 3.55Å; S359-I371 VanDerWaalsContact O-CA 3.31Å; S359-I371 WeakPolarHBondContact O-CA 3.45Å; S359-T372 PolarHBondContact N-O 2.7Å; S359-T372 PolarHBondContact O-N 3.33Å; S359-T372 VanDerWaalsContact OG-CB 3.29Å; S359-T372 WeakPolarHBondContact OG-CB 3.14Å; S359-T372 PolarHBondContact OG-OG1 3.1Å; S359-I481 CarbonylContact C-O 3.55Å; S359-I481 WeakPolarHBondContact CA-O 3.18Å; S359-I481 WeakPolarHBondContact CB-O 3.27Å |
| 360 | L | 98.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 140.3 | 171.8 | -63.4 | 179.5 | 0 | 0 | 0 | 110.9 | F358 I371 L437 V458 W470 M473 P480 I481 | F358-L360 HydrophobicContact CD2-CD2 4.11Å; F358-L360 HydrophobicContact CD2-CG 4.16Å; F358-L360 HydrophobicContact CE2-CD1 4.3Å; F358-L360 HydrophobicContact CE2-CD2 4.05Å; F358-L360 HydrophobicContact CE2-CG 3.98Å; L360-I371 HydrophobicContact CD2-CB 3.87Å; L360-I371 HydrophobicContact CD2-CD1 3.92Å; L360-I371 HydrophobicContact CD2-CG1 3.82Å; L360-L437 HydrophobicContact CD2-CD1 4.06Å; L360-V458 HydrophobicContact CD1-CB 4.21Å; L360-V458 HydrophobicContact CD1-CG1 4.35Å; L360-V458 HydrophobicContact CD1-CG2 4.03Å; L360-V458 HydrophobicContact CD2-CG2 4.39Å; L360-W470 HydrophobicContact CD1-CE3 3.98Å; L360-M473 HydrophobicContact CB-CB 4.05Å; L360-M473 HydrophobicContact CB-CG 3.88Å; L360-M473 HydrophobicContact CB-SD 3.65Å; L360-M473 HydrophobicContact CD1-SD 4.29Å; L360-M473 HydrophobicContact CG-SD 4.46Å; L360-P480 WeakPolarHBondContact O-CA 3.38Å; L360-I481 PolarHBondContact N-O 2.84Å; L360-I481 PolarHBondContact O-N 3.2Å |
| 361 | C | 97.9 | Very high | 93.3 | Very high | 14 Ų | 14 | 31.8 Ų | 31.8 | 10% | 0.095 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 124.8 | 172.9 | -176.2 | 0 | 0 | 0 | 0 | 110 | T370 R478 P480 | C361-T370 PolarHBondContact N-O 2.73Å; C361-T370 PolarHBondContact O-N 2.69Å; C361-R478 PolarHBondContact SG-O 2.8Å; C361-P480 HydrophobicContact CB-CB 4.34Å |
| 362 | Y | 97.6 | Very high | 95 | Very high | 8 Ų | 8 | 31.7 Ų | 31.7 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 137.7 | 175.4 | -171.4 | -123.6 | 0 | 0 | 0 | 111.8 | P364 R368 L369 V427 P429 I432 L474 R478 | Y362-P364 HydrophobicContact CD1-CB 4.45Å; Y362-P364 HydrophobicContact CD1-CG 3.72Å; Y362-P364 HydrophobicContact CE1-CB 3.91Å; Y362-P364 HydrophobicContact CE1-CG 3.67Å; Y362-R368 WeakPolarHBondContact CD2-O 3.48Å; Y362-L369 HydrophobicContact CD2-CB 3.97Å; Y362-L369 HydrophobicContact CD2-CD1 4.34Å; Y362-L369 HydrophobicContact CE2-CB 4.42Å; Y362-V427 HydrophobicContact CE2-CB 4.29Å; Y362-V427 WeakPolarHBondContact CE2-O 3.42Å; Y362-V427 PolarHBondContact OH-O 3.4Å; Y362-P429 VanDerWaalsContact OH-CA 3.32Å; Y362-P429 WeakPolarHBondContact OH-CA 3.33Å; Y362-I432 HydrophobicContact CD1-CD1 4.19Å; Y362-I432 HydrophobicContact CD1-CG1 4.27Å; Y362-I432 HydrophobicContact CD2-CD1 3.99Å; Y362-I432 HydrophobicContact CE1-CB 4.5Å; Y362-I432 HydrophobicContact CE1-CD1 4.03Å; Y362-I432 HydrophobicContact CE1-CG1 3.99Å; Y362-I432 HydrophobicContact CE2-CD1 3.83Å; Y362-I432 HydrophobicContact CG-CD1 4.19Å; Y362-L474 HydrophobicContact CD1-CD2 4.06Å; Y362-R478 PolarHBondContact O-N 3.28Å |
| 363 | L | 96.8 | Very high | 96.3 | Very high | 49 Ų | 49 | 28.8 Ų | 28.8 | 26% | 0.257 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 91.9 | 175.1 | -72.8 | 78.6 | 0 | 0 | 0 | 108.7 | T365 A366 G367 R368 R478 | L363-T365 PolarHBondContact O-N 3.14Å; L363-A366 HydrophobicContact CB-CB 4.3Å; L363-A366 PolarHBondContact O-N 2.77Å; L363-A366 VanDerWaalsContact O-N 3.17Å; L363-G367 PolarHBondContact O-N 3.23Å; L363-G367 VanDerWaalsContact O-N 3.12Å; L363-R368 HydrophobicContact CB-CB 4.36Å; L363-R368 PolarHBondContact N-O 3.34Å; L363-R368 PolarHBondContact O-N 3.44Å; L363-R368 VanDerWaalsContact O-N 3.09Å; L363-R478 HydrophobicContact CG-CG 4.2Å |
| 364 | P | 94.9 | Very high | 96.8 | Very high | 47 Ų | 47 | 30.3 Ų | 30.3 | 31% | 0.305 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -56.5 | -45.5 | -176.6 | -24.4 | 31.2 | 0 | 0 | 0 | 113.2 | Y362 A366 G367 P429 P477 | Y362-P364 HydrophobicContact CD1-CB 4.45Å; Y362-P364 HydrophobicContact CD1-CG 3.72Å; Y362-P364 HydrophobicContact CE1-CB 3.91Å; Y362-P364 HydrophobicContact CE1-CG 3.67Å; P364-A366 PolarHBondContact O-N 3.3Å; P364-A366 VanDerWaalsContact O-N 3.09Å; P364-G367 PolarHBondContact O-N 3.45Å; P364-P429 HydrophobicContact CB-CG 4.29Å; P364-P429 WeakPolarHBondContact O-CG 3.43Å; P364-P477 HydrophobicContact CG-CB 4.4Å |
| 365 | T | 94.4 | Very high | 97.1 | Very high | 153 Ų | 153 | 34.1 Ų | 34.1 | 94% | 0.939 | 19% | 0.192 | S | C | * | . | G | 310 helix | trans | -59.9 | -22.9 | -178.7 | -40.3 | 0 | 0 | 0 | 0 | 114 | L363 | L363-T365 PolarHBondContact O-N 3.14Š|
| 366 | A | 94.8 | Very high | 97.3 | Very high | 69 Ų | 69 | 32.4 Ų | 32.4 | 57% | 0.57 | 19% | 0.185 | S | C | * | . | G | 310 helix | trans | -110 | 4.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L363 P364 R368 | L363-A366 HydrophobicContact CB-CB 4.3Å; L363-A366 PolarHBondContact O-N 2.77Å; L363-A366 VanDerWaalsContact O-N 3.17Å; P364-A366 PolarHBondContact O-N 3.3Å; P364-A366 VanDerWaalsContact O-N 3.09Å; A366-R368 HydrophobicContact CB-CB 4.19Å; A366-R368 PolarHBondContact O-N 3.4Å |
| 367 | G | 95.9 | Very high | 97 | Very high | 15 Ų | 15 | 37.2 Ų | 37.2 | 16% | 0.155 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 40.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L363 P364 D426 V427 | L363-G367 PolarHBondContact O-N 3.23Å; L363-G367 VanDerWaalsContact O-N 3.12Å; P364-G367 PolarHBondContact O-N 3.45Å; G367-D426 CarbonylContact O-C 3.51Å; G367-D426 WeakPolarHBondContact O-CA 3.23Å; G367-V427 CarbonylContact C-O 3.34Å; G367-V427 WeakPolarHBondContact CA-O 3.42Å; G367-V427 CarbonylContact O-C 3.55Å; G367-V427 PolarHBondContact O-N 3.44Å; G367-V427 VanDerWaalsContact O-O 3.11Å |
| 368 | R | 96.8 | Very high | 96.5 | Very high | 108 Ų | 108 | 39.3 Ų | 39.3 | 41% | 0.408 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 113.2 | -167.2 | -161.6 | -175.1 | 113.2 | -178 | 0.6 | 113 | Y362 L363 A366 T370 V424 | Y362-R368 WeakPolarHBondContact CD2-O 3.48Å; L363-R368 HydrophobicContact CB-CB 4.36Å; L363-R368 PolarHBondContact N-O 3.34Å; L363-R368 PolarHBondContact O-N 3.44Å; L363-R368 VanDerWaalsContact O-N 3.09Å; A366-R368 HydrophobicContact CB-CB 4.19Å; A366-R368 PolarHBondContact O-N 3.4Å; R368-T370 PolarHBondContact NE-OG1 3.5Å; R368-T370 PolarHBondContact NH2-OG1 3.11Å; R368-V424 HydrophobicContact CG-CG1 3.49Å; R368-V424 VanDerWaalsContact CG-CG1 3.49Å |
| 369 | L | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 122.6 | 171 | 178.4 | 61.9 | 0 | 0 | 0 | 109.7 | Y362 V424 F425 V427 I435 L437 W470 M473 | Y362-L369 HydrophobicContact CD2-CB 3.97Å; Y362-L369 HydrophobicContact CD2-CD1 4.34Å; Y362-L369 HydrophobicContact CE2-CB 4.42Å; L369-V424 WeakPolarHBondContact O-CA 3.47Å; L369-F425 HydrophobicContact CB-CB 4.38Å; L369-F425 PolarHBondContact N-O 2.84Å; L369-F425 PolarHBondContact O-N 3.01Å; L369-V427 HydrophobicContact CB-CB 4.35Å; L369-V427 HydrophobicContact CB-CG2 3.96Å; L369-V427 HydrophobicContact CD2-CG2 4.17Å; L369-I435 HydrophobicContact CD2-CD1 4.01Å; L369-L437 HydrophobicContact CD2-CD1 4.16Å; L369-L437 HydrophobicContact CD2-CD2 4.13Å; L369-L437 HydrophobicContact CD2-CG 4.31Å; L369-W470 HydrophobicContact CD1-CH2 4.38Å; L369-W470 HydrophobicContact CD1-CZ3 4.37Å; L369-W470 HydrophobicContact CD2-CH2 3.7Å; L369-W470 HydrophobicContact CD2-CZ3 4.11Å; L369-M473 HydrophobicContact CD1-CE 4.13Å; L369-M473 HydrophobicContact CD1-SD 3.45Å; L369-M473 WeakPolarHBondContact CD1-SD 3.28Å |
| 370 | T | 98.1 | Very high | 95.5 | Very high | 14 Ų | 14 | 42 Ų | 42 | 9% | 0.086 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 124.1 | 176.9 | -49.1 | 0 | 0 | 0 | 0 | 109.2 | C361 R368 A422 V424 | C361-T370 PolarHBondContact N-O 2.73Å; C361-T370 PolarHBondContact O-N 2.69Å; R368-T370 PolarHBondContact NE-OG1 3.5Å; R368-T370 PolarHBondContact NH2-OG1 3.11Å; T370-A422 HydrophobicContact CG2-CB 4.42Å; T370-V424 HydrophobicContact CG2-CG2 4.13Å |
| 371 | I | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 118.2 | 170.4 | 179 | 174 | 0 | 0 | 0 | 109.3 | F358 S359 L360 I373 V394 I423 F425 L437 I439 | F358-I371 HydrophobicContact CB-CD1 4.47Å; F358-I371 HydrophobicContact CB-CG1 4.31Å; F358-I371 HydrophobicContact CD2-CD1 3.68Å; F358-I371 HydrophobicContact CD2-CG1 3.94Å; F358-I371 HydrophobicContact CE2-CD1 4.12Å; F358-I371 HydrophobicContact CG-CD1 4.14Å; F358-I371 HydrophobicContact CG-CG1 4.4Å; S359-I371 CarbonylContact O-C 3.55Å; S359-I371 VanDerWaalsContact O-CA 3.31Å; S359-I371 WeakPolarHBondContact O-CA 3.45Å; L360-I371 HydrophobicContact CD2-CB 3.87Å; L360-I371 HydrophobicContact CD2-CD1 3.92Å; L360-I371 HydrophobicContact CD2-CG1 3.82Å; I371-I373 HydrophobicContact CD1-CD1 3.97Å; I371-I373 HydrophobicContact CG1-CD1 4.03Å; I371-V394 HydrophobicContact CD1-CG1 4.45Å; I371-V394 HydrophobicContact CD1-CG2 4.45Å; I371-V394 HydrophobicContact CG2-CG1 4.22Å; I371-I423 HydrophobicContact CG2-CB 3.95Å; I371-I423 HydrophobicContact CG2-CG2 4.17Å; I371-I423 PolarHBondContact N-O 3.37Å; I371-I423 PolarHBondContact O-N 2.92Å; I371-F425 HydrophobicContact CG2-CD2 4.36Å; I371-F425 HydrophobicContact CG2-CE2 3.97Å; I371-L437 HydrophobicContact CB-CD1 4.21Å; I371-L437 HydrophobicContact CD1-CD1 3.93Å; I371-L437 HydrophobicContact CG2-CD1 4.14Å; I371-I439 HydrophobicContact CD1-CD1 3.59Å; I371-I439 HydrophobicContact CD1-CG1 4.2Å |
| 372 | T | 98.6 | Very high | 94.1 | Very high | 36 Ų | 36 | 45.6 Ų | 45.6 | 22% | 0.221 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 115.1 | 176.2 | -45.9 | 0 | 0 | 0 | 0 | 109.1 | F358 S359 I374 E421 A422 | F358-T372 CarbonylContact C-O 3.55Å; F358-T372 WeakPolarHBondContact CA-O 3.07Å; F358-T372 VanDerWaalsContact CB-O 3.26Å; F358-T372 WeakPolarHBondContact CB-O 3.23Å; S359-T372 PolarHBondContact N-O 2.7Å; S359-T372 PolarHBondContact O-N 3.33Å; S359-T372 VanDerWaalsContact OG-CB 3.29Å; S359-T372 WeakPolarHBondContact OG-CB 3.14Å; S359-T372 PolarHBondContact OG-OG1 3.1Å; T372-I374 PolarHBondContact O-N 3.3Å; T372-E421 WeakPolarHBondContact CA-O 3.29Å; T372-A422 HydrophobicContact CG2-CB 4.4Å |
| 373 | I | 98.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 113.3 | 172.5 | -54.2 | -53.7 | 0 | 0 | 0 | 107.4 | L356 F358 I371 V392 V394 T408 Y419 N420 E421 I423 | L356-I373 HydrophobicContact CD1-CG2 4.14Å; F358-I373 HydrophobicContact CB-CD1 3.95Å; I371-I373 HydrophobicContact CD1-CD1 3.97Å; I371-I373 HydrophobicContact CG1-CD1 4.03Å; I373-V392 HydrophobicContact CD1-CG1 4.03Å; I373-V392 HydrophobicContact CG1-CB 4.43Å; I373-V392 HydrophobicContact CG1-CG1 4.21Å; I373-V392 HydrophobicContact CG2-CB 4.11Å; I373-V392 HydrophobicContact CG2-CG1 4.37Å; I373-V392 HydrophobicContact CG2-CG2 3.78Å; I373-V394 HydrophobicContact CD1-CG2 4.02Å; I373-V394 HydrophobicContact CG1-CG2 4.45Å; I373-T408 HydrophobicContact CB-CG2 3.95Å; I373-T408 HydrophobicContact CG1-CG2 3.87Å; I373-T408 HydrophobicContact CG2-CG2 4.14Å; I373-Y419 HydrophobicContact CG2-CD2 3.61Å; I373-Y419 HydrophobicContact CG2-CE2 4.21Å; I373-Y419 HydrophobicContact CG2-CG 3.95Å; I373-Y419 WeakPolarHBondContact O-CB 3.27Å; I373-N420 CarbonylContact O-C 3.6Å; I373-N420 VanDerWaalsContact O-CA 3.26Å; I373-N420 WeakPolarHBondContact O-CA 3.49Å; I373-N420 PolarHBondContact O-N 3.31Å; I373-E421 PolarHBondContact N-O 3.04Å; I373-E421 PolarHBondContact O-N 3.11Å; I373-I423 HydrophobicContact CG1-CD1 4.38Å |
| 374 | I | 98.3 | Very high | 91.9 | Very high | 35 Ų | 35 | 54 Ų | 54 | 18% | 0.179 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -65.4 | -172.9 | -58.4 | 171.9 | 0 | 0 | 0 | 109.2 | M357 T372 Y419 N420 A482 | M357-I374 HydrophobicContact CB-CB 4.44Å; M357-I374 HydrophobicContact CE-CD1 4.12Å; M357-I374 HydrophobicContact CG-CB 4.39Å; M357-I374 HydrophobicContact CG-CD1 4.22Å; M357-I374 WeakPolarHBondContact O-CB 3.32Å; M357-I374 PolarHBondContact O-N 3.02Å; M357-I374 HydrophobicContact SD-CB 4.49Å; M357-I374 HydrophobicContact SD-CD1 4.3Å; M357-I374 HydrophobicContact SD-CG2 4.22Å; T372-I374 PolarHBondContact O-N 3.3Å; I374-Y419 PolarHBondContact O-N 2.84Å; I374-N420 PolarHBondContact O-N 3.01Å; I374-N420 VanDerWaalsContact O-N 3.09Å; I374-N420 PolarHBondContact O-OD1 2.97Å; I374-A482 HydrophobicContact CD1-CB 4.23Å |
| 375 | K | 97.3 | Very high | 90.8 | Very high | 80 Ų | 80 | 56.4 Ų | 56.4 | 35% | 0.348 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 162.9 | -176.8 | 60.7 | -173.8 | 174.4 | -178.7 | 0 | 111.3 | M357 P417 V418 W484 | M357-K375 WeakPolarHBondContact CA-O 3.5Å; M357-K375 HydrophobicContact CB-CG 4.04Å; M357-K375 WeakPolarHBondContact CB-O 3.46Å; M357-K375 PolarHBondContact N-O 3.03Å; M357-K375 PolarHBondContact O-N 2.93Å; M357-K375 HydrophobicContact SD-CG 4.4Å; K375-P417 CarbonylContact C-O 3.51Å; K375-P417 WeakPolarHBondContact CA-O 3.11Å; K375-P417 WeakPolarHBondContact CB-O 3.38Å; K375-V418 HydrophobicContact CB-CB 4.37Å; K375-V418 HydrophobicContact CB-CG1 4.49Å; K375-V418 HydrophobicContact CB-CG2 4.01Å; K375-W484 HydrophobicContact CD-CH2 4.27Å; K375-W484 HydrophobicContact CG-CH2 3.97Å |
| 376 | A | 97.3 | Very high | 89.7 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.033 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 162.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | E355 L356 L379 N416 P417 | E355-A376 CarbonylContact O-C 3.47Å; E355-A376 WeakPolarHBondContact O-CA 3.22Å; E355-A376 WeakPolarHBondContact O-CB 3.34Å; L356-A376 HydrophobicContact CD1-CB 3.89Å; A376-L379 HydrophobicContact CB-CD1 4.01Å; A376-L379 HydrophobicContact CB-CD2 3.88Å; A376-L379 HydrophobicContact CB-CG 3.97Å; A376-N416 CarbonylContact O-C 3.55Å; A376-N416 WeakPolarHBondContact O-CA 3.36Å; A376-P417 HydrophobicContact CB-CG 3.9Å; A376-P417 PolarHBondContact N-O 3.35Å |
| 377 | R | 90.5 | Very high | 89.2 | Confident | 101 Ų | 101 | 48.4 Ų | 48.4 | 38% | 0.381 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 157.3 | 172.5 | 70.7 | -176.9 | 176.8 | -174.5 | -2.6 | 111.9 | G354 E355 L379 L415 N416 W484 | G354-R377 VanDerWaalsContact CA-O 3.29Å; G354-R377 WeakPolarHBondContact CA-O 3.39Å; E355-R377 HydrophobicContact CB-CG 4.28Å; E355-R377 PolarHBondContact N-O 3.44Å; E355-R377 PolarHBondContact O-N 2.98Å; E355-R377 IonicContact OE1-NH2 3.37Å; E355-R377 IonicContact OE2-CZ 3.73Å; E355-R377 IonicContact OE2-NE 2.58Å; E355-R377 PolarHBondContact OE2-NE 3.32Å; E355-R377 IonicContact OE2-NH2 3.77Å; E355-R377 PolarHBondContact OE2-NH2 2.63Å; R377-L379 PolarHBondContact O-N 3.3Å; R377-L379 VanDerWaalsContact O-N 3.12Å; R377-L415 CarbonylContact C-O 3.39Å; R377-N416 WeakPolarHBondContact CA-OD1 3.44Å; R377-N416 WeakPolarHBondContact CB-OD1 3.19Å; R377-W484 HydrophobicContact CB-CH2 4.17Å; R377-W484 HydrophobicContact CB-CZ3 4.24Å; R377-W484 HydrophobicContact CG-CE3 4.42Å; R377-W484 HydrophobicContact CG-CH2 3.8Å; R377-W484 HydrophobicContact CG-CZ3 3.63Å |
| 378 | N | 87.1 | Confident | 88.9 | Confident | 83 Ų | 83 | 47.7 Ų | 47.7 | 44% | 0.444 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 52.8 | 28.7 | 176.4 | -63.2 | -7.3 | 0 | 0 | 0 | 114.7 | G354 L415 N416 | G354-N378 WeakPolarHBondContact CA-O 3.48Å; G354-N378 PolarHBondContact N-O 3.19Å; N378-L415 PolarHBondContact N-O 3Å; N378-N416 PolarHBondContact N-OD1 3.49Å |
| 379 | L | 90.5 | Very high | 88.8 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -56.3 | 144 | -179.7 | -65.8 | -179.2 | 0 | 0 | 0 | 111.2 | L353 A376 R377 A381 P390 L415 P417 V441 I453 L487 | L353-L379 WeakPolarHBondContact O-CA 3.37Å; A376-L379 HydrophobicContact CB-CD1 4.01Å; A376-L379 HydrophobicContact CB-CD2 3.88Å; A376-L379 HydrophobicContact CB-CG 3.97Å; R377-L379 PolarHBondContact O-N 3.3Å; R377-L379 VanDerWaalsContact O-N 3.12Å; L379-A381 PolarHBondContact O-N 3.28Å; L379-P390 HydrophobicContact CD1-CB 3.78Å; L379-P390 HydrophobicContact CD1-CG 4.02Å; L379-L415 HydrophobicContact CB-CB 4.32Å; L379-L415 HydrophobicContact CB-CD2 4.43Å; L379-L415 WeakPolarHBondContact CB-O 3.5Å; L379-L415 PolarHBondContact N-O 2.92Å; L379-L415 WeakPolarHBondContact O-CD2 3.41Å; L379-P417 HydrophobicContact CD1-CG 3.77Å; L379-V441 HydrophobicContact CD1-CG1 4.06Å; L379-V441 HydrophobicContact CD2-CG1 4.12Å; L379-I453 HydrophobicContact CB-CG2 4.45Å; L379-I453 HydrophobicContact CD1-CD1 4.48Å; L379-I453 HydrophobicContact CD2-CG2 4.38Å; L379-L487 HydrophobicContact CD2-CD1 3.57Å |
| 380 | K | 85.5 | Confident | 88.8 | Confident | 61 Ų | 61 | 42.9 Ų | 42.9 | 27% | 0.265 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -62.8 | 124.7 | 172.1 | 172 | 179.2 | 173.4 | -175.3 | 0 | 110 | V351 L353 M382 S388 I453 E489 | V351-K380 HydrophobicContact CG1-CD 4.34Å; L353-K380 HydrophobicContact CD2-CB 4.39Å; L353-K380 HydrophobicContact CD2-CD 3.48Å; L353-K380 VanDerWaalsContact CD2-CD 3.48Å; L353-K380 PolarHBondContact O-N 3.23Å; K380-M382 HydrophobicContact CD-SD 3.84Å; K380-M382 HydrophobicContact CG-SD 3.78Å; K380-S388 PolarHBondContact O-OG 2.7Å; K380-S388 VanDerWaalsContact O-OG 3.09Å; K380-I453 HydrophobicContact CB-CG2 4.13Å; K380-E489 IonicContact NZ-OE1 3.15Å |
| 381 | A | 84.5 | Confident | 88.8 | Confident | 43 Ų | 43 | 43 Ų | 43 | 36% | 0.355 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -65.6 | 130.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | L379 G386 A387 L415 | L379-A381 PolarHBondContact O-N 3.28Å; A381-G386 WeakPolarHBondContact CB-O 3.49Å; A381-A387 WeakPolarHBondContact CA-O 3.49Å; A381-L415 HydrophobicContact CB-CD1 4.12Å; A381-L415 HydrophobicContact CB-CD2 4.09Å |
| 382 | M | 82.2 | Confident | 88.8 | Confident | 48 Ų | 48 | 43 Ų | 43 | 24% | 0.236 | 24% | 0.235 | C | C | . | . | trans | -119 | -35.6 | -178.1 | -61.3 | -60.1 | -62.8 | 0 | 0 | 110.9 | K380 A387 S388 D443 E451 I453 | K380-M382 HydrophobicContact CD-SD 3.84Å; K380-M382 HydrophobicContact CG-SD 3.78Å; M382-A387 PolarHBondContact N-O 2.9Å; M382-S388 PolarHBondContact N-OG 2.99Å; M382-D443 HydrophobicContact CB-CB 4.48Å; M382-D443 VanDerWaalsContact CB-OD2 3.24Å; M382-D443 WeakPolarHBondContact CB-OD2 3.5Å; M382-E451 HydrophobicContact CE-CB 4Å; M382-E451 WeakPolarHBondContact CE-OE2 3.22Å; M382-I453 HydrophobicContact CG-CG1 3.99Å | ||
| 383 | D | 78 | Confident | 88.8 | Confident | 50 Ų | 50 | 43.1 Ų | 43.1 | 27% | 0.267 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -64 | 149.3 | 173 | -85.2 | -56.4 | 0 | 0 | 0 | 112.6 | T385 G386 A387 S388 | D383-T385 HydrophobicContact CB-CG2 4.33Å; D383-T385 WeakPolarHBondContact CB-OG1 3.46Å; D383-T385 PolarHBondContact O-N 2.81Å; D383-T385 VanDerWaalsContact O-N 3.12Å; D383-G386 PolarHBondContact O-N 2.81Å; D383-A387 WeakPolarHBondContact CB-O 3.04Å; D383-A387 PolarHBondContact N-O 2.55Å; D383-S388 WeakPolarHBondContact OD2-CA 3.39Å |
| 384 | I | 70.1 | Confident | 88.8 | Confident | 184 Ų | 184 | 43.1 Ų | 43.1 | 94% | 0.944 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -23.7 | 168 | -58.1 | 174.3 | 0 | 0 | 0 | 111.5 | G386 | I384-G386 PolarHBondContact O-N 3.11Š|
| 385 | T | 71.6 | Confident | 88.8 | Confident | 97 Ų | 97 | 42.1 Ų | 42.1 | 60% | 0.595 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -15.8 | 175.1 | 64.9 | 0 | 0 | 0 | 0 | 113.9 | D383 A387 | D383-T385 HydrophobicContact CB-CG2 4.33Å; D383-T385 WeakPolarHBondContact CB-OG1 3.46Å; D383-T385 PolarHBondContact O-N 2.81Å; D383-T385 VanDerWaalsContact O-N 3.12Å; T385-A387 PolarHBondContact OG1-N 2.7Å |
| 386 | G | 71.8 | Confident | 88.8 | Confident | 44 Ų | 44 | 38.7 Ų | 38.7 | 45% | 0.454 | 21% | 0.213 | S | C | . | . | S | Bend | trans | 83.1 | 16 | -171 | 0 | 0 | 0 | 0 | 0 | 113.9 | A381 D383 I384 | A381-G386 WeakPolarHBondContact CB-O 3.49Å; D383-G386 PolarHBondContact O-N 2.81Å; I384-G386 PolarHBondContact O-N 3.11Å |
| 387 | A | 83.5 | Confident | 88.7 | Confident | 9 Ų | 9 | 39.8 Ų | 39.8 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -126.7 | -156.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A381 M382 D383 T385 N413 | A381-A387 WeakPolarHBondContact CA-O 3.49Å; M382-A387 PolarHBondContact N-O 2.9Å; D383-A387 WeakPolarHBondContact CB-O 3.04Å; D383-A387 PolarHBondContact N-O 2.55Å; T385-A387 PolarHBondContact OG1-N 2.7Å; A387-N413 WeakPolarHBondContact CB-OD1 3.43Å |
| 388 | S | 90.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -153.1 | 161.3 | 169 | -43.4 | 0 | 0 | 0 | 0 | 108.1 | K380 M382 D383 P390 N413 T414 D443 | K380-S388 PolarHBondContact O-OG 2.7Å; K380-S388 VanDerWaalsContact O-OG 3.09Å; M382-S388 PolarHBondContact N-OG 2.99Å; D383-S388 WeakPolarHBondContact OD2-CA 3.39Å; S388-P390 WeakPolarHBondContact O-CD 3.46Å; S388-N413 CarbonylContact O-C 3.54Å; S388-N413 VanDerWaalsContact O-CA 3.23Å; S388-N413 WeakPolarHBondContact O-CA 3.4Å; S388-N413 PolarHBondContact O-N 3.1Å; S388-N413 VanDerWaalsContact O-N 3.08Å; S388-T414 PolarHBondContact O-N 3.28Å; S388-D443 WeakPolarHBondContact CB-OD1 3.38Å | ||
| 389 | D | 95.1 | Very high | 88.8 | Confident | 8 Ų | 8 | 38.1 Ų | 38.1 | 4% | 0.043 | 22% | 0.218 | C | C | . | . | trans | -101.5 | 70.1 | 165.1 | -86 | 5.6 | 0 | 0 | 0 | 109.6 | T410 K411 R412 N413 D443 Y444 R446 | D389-T410 HydrophobicContact CB-CG2 4.11Å; D389-T410 VanDerWaalsContact O-CG2 3.26Å; D389-T410 WeakPolarHBondContact O-CG2 3.3Å; D389-K411 CarbonylContact C-O 3.46Å; D389-K411 VanDerWaalsContact CA-O 3.22Å; D389-K411 WeakPolarHBondContact CA-O 3.3Å; D389-R412 WeakPolarHBondContact OD1-CA 3.33Å; D389-R412 VanDerWaalsContact OD1-CB 3.3Å; D389-R412 WeakPolarHBondContact OD1-CB 3.4Å; D389-N413 PolarHBondContact OD1-N 3.09Å; D389-D443 VanDerWaalsContact C-OD1 3.3Å; D389-D443 WeakPolarHBondContact CA-OD1 3.43Å; D389-D443 PolarHBondContact N-OD1 2.59Å; D389-Y444 HydrophobicContact CB-CD1 4.48Å; D389-Y444 VanDerWaalsContact O-CB 3.29Å; D389-Y444 WeakPolarHBondContact O-CB 3.49Å; D389-Y444 PolarHBondContact O-N 2.96Å; D389-Y444 VanDerWaalsContact O-N 3.08Å; D389-R446 IonicContact OD2-NE 2.66Å | ||
| 390 | P | 97.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -72.5 | 147.1 | -167.3 | 31 | -39.9 | 0 | 0 | 0 | 115.8 | L379 S388 T410 K411 T414 P417 Y419 V441 M442 I453 | L379-P390 HydrophobicContact CD1-CB 3.78Å; L379-P390 HydrophobicContact CD1-CG 4.02Å; S388-P390 WeakPolarHBondContact O-CD 3.46Å; P390-T410 WeakPolarHBondContact O-CA 3.23Å; P390-K411 WeakPolarHBondContact CD-O 3.05Å; P390-K411 VanDerWaalsContact N-O 3.1Å; P390-K411 PolarHBondContact O-N 2.82Å; P390-T414 VanDerWaalsContact CD-O 3.31Å; P390-T414 WeakPolarHBondContact CD-O 3.29Å; P390-T414 HydrophobicContact CG-CG2 4.12Å; P390-T414 WeakPolarHBondContact CG-O 3.49Å; P390-P417 HydrophobicContact CB-CG 4.3Å; P390-P417 HydrophobicContact CG-CB 3.93Å; P390-P417 HydrophobicContact CG-CG 3.69Å; P390-Y419 PolarHBondContact O-OH 3.38Å; P390-V441 HydrophobicContact CB-CG1 4.46Å; P390-M442 CarbonylContact C-O 3.43Å; P390-M442 VanDerWaalsContact CA-O 3.27Å; P390-M442 WeakPolarHBondContact CA-O 3.41Å; P390-I453 HydrophobicContact CB-CD1 4.17Å | ||
| 391 | Y | 98.2 | Very high | 88.9 | Confident | 17 Ų | 17 | 47.3 Ų | 47.3 | 7% | 0.067 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 153.9 | 163.9 | 73.1 | -82.6 | 0 | 0 | 0 | 111.9 | K393 K407 M442 D443 | Y391-K393 HydrophobicContact CE2-CB 4.37Å; Y391-K393 WeakPolarHBondContact OH-CE 3.5Å; Y391-K393 PolarHBondContact OH-NZ 3.14Å; Y391-K407 HydrophobicContact CD2-CB 4.13Å; Y391-K407 HydrophobicContact CD2-CD 4.29Å; Y391-K407 HydrophobicContact CE2-CB 4.35Å; Y391-K407 HydrophobicContact CE2-CD 4.26Å; Y391-M442 HydrophobicContact CD1-CB 3.76Å; Y391-M442 HydrophobicContact CD2-CB 4.2Å; Y391-M442 HydrophobicContact CD2-CG 4.44Å; Y391-M442 HydrophobicContact CE1-CB 3.38Å; Y391-M442 HydrophobicContact CE1-CG 4.25Å; Y391-M442 HydrophobicContact CE2-CB 3.86Å; Y391-M442 HydrophobicContact CE2-CG 3.89Å; Y391-M442 HydrophobicContact CG-CB 4.15Å; Y391-M442 VanDerWaalsContact CZ-CB 3.42Å; Y391-M442 PolarHBondContact N-O 2.87Å; Y391-M442 WeakPolarHBondContact O-CB 3.29Å; Y391-M442 PolarHBondContact O-N 3.27Å; Y391-D443 WeakPolarHBondContact CE1-O 3.43Å |
| 392 | V | 98.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 140.3 | 179.4 | -172.7 | 0 | 0 | 0 | 0 | 110.8 | L356 I373 V394 K407 T408 Y419 I439 V441 | L356-V392 HydrophobicContact CD1-CG2 3.97Å; L356-V392 HydrophobicContact CD2-CG1 4.06Å; I373-V392 HydrophobicContact CD1-CG1 4.03Å; I373-V392 HydrophobicContact CG1-CB 4.43Å; I373-V392 HydrophobicContact CG1-CG1 4.21Å; I373-V392 HydrophobicContact CG2-CB 4.11Å; I373-V392 HydrophobicContact CG2-CG1 4.37Å; I373-V392 HydrophobicContact CG2-CG2 3.78Å; V392-V394 HydrophobicContact CG1-CG2 4.35Å; V392-K407 CarbonylContact O-C 3.58Å; V392-K407 WeakPolarHBondContact O-CA 3.4Å; V392-T408 HydrophobicContact CB-CG2 3.95Å; V392-T408 PolarHBondContact N-OG1 3.4Å; V392-T408 PolarHBondContact O-N 3.45Å; V392-Y419 HydrophobicContact CG2-CD2 4.41Å; V392-Y419 HydrophobicContact CG2-CE1 4.38Å; V392-Y419 HydrophobicContact CG2-CE2 3.74Å; V392-I439 HydrophobicContact CG1-CG2 3.68Å; V392-V441 HydrophobicContact CG2-CG2 4.23Å |
| 393 | K | 98.3 | Very high | 90 | Very high | 38 Ų | 38 | 55.4 Ų | 55.4 | 17% | 0.165 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 103.6 | -173.6 | 178.5 | -178.3 | -69.3 | 162.6 | 0 | 108.8 | Y391 A440 M442 | Y391-K393 HydrophobicContact CE2-CB 4.37Å; Y391-K393 WeakPolarHBondContact OH-CE 3.5Å; Y391-K393 PolarHBondContact OH-NZ 3.14Å; K393-A440 HydrophobicContact CB-CB 4.4Å; K393-A440 PolarHBondContact N-O 3.38Å; K393-A440 PolarHBondContact O-N 3.45Å; K393-M442 HydrophobicContact CB-CG 3.88Å; K393-M442 HydrophobicContact CD-CG 4.03Å; K393-M442 HydrophobicContact CD-SD 3.93Å; K393-M442 PolarHBondContact NZ-SD 3.44Å |
| 394 | V | 98.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 128.1 | -179.2 | -171.8 | 0 | 0 | 0 | 0 | 109.9 | I371 I373 V392 K405 R406 I423 F425 L437 I439 | I371-V394 HydrophobicContact CD1-CG1 4.45Å; I371-V394 HydrophobicContact CD1-CG2 4.45Å; I371-V394 HydrophobicContact CG2-CG1 4.22Å; I373-V394 HydrophobicContact CD1-CG2 4.02Å; I373-V394 HydrophobicContact CG1-CG2 4.45Å; V392-V394 HydrophobicContact CG1-CG2 4.35Å; V394-K405 WeakPolarHBondContact O-CA 3.25Å; V394-R406 PolarHBondContact N-O 3.32Å; V394-R406 PolarHBondContact O-N 3.31Å; V394-I423 HydrophobicContact CB-CD1 4.28Å; V394-I423 HydrophobicContact CG2-CD1 3.81Å; V394-F425 HydrophobicContact CB-CE2 4.39Å; V394-F425 HydrophobicContact CB-CZ 4.23Å; V394-F425 HydrophobicContact CG1-CE2 3.68Å; V394-F425 HydrophobicContact CG1-CZ 3.82Å; V394-L437 HydrophobicContact CG1-CB 4.38Å; V394-L437 HydrophobicContact CG1-CD1 4.43Å; V394-L437 HydrophobicContact CG1-CD2 4.31Å; V394-I439 HydrophobicContact CG1-CG1 4.26Å; V394-I439 HydrophobicContact CG2-CG1 4.45Å; V394-I439 HydrophobicContact CG2-CG2 4.43Å |
| 395 | S | 97.7 | Very high | 92.1 | Very high | 13 Ų | 13 | 51.8 Ų | 51.8 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 120.2 | 178.4 | -57.9 | 0 | 0 | 0 | 0 | 109.8 | K404 L437 S438 | S395-K404 WeakPolarHBondContact CA-O 3.25Å; S395-L437 WeakPolarHBondContact O-CA 3.31Å; S395-S438 PolarHBondContact N-O 3.35Å; S395-S438 PolarHBondContact O-N 3.38Å |
| 396 | L | 97.4 | Very high | 93.4 | Very high | 8 Ų | 8 | 53.2 Ų | 53.2 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 125.9 | 167.4 | 176.6 | 65.3 | 0 | 0 | 0 | 108.8 | R402 L403 K404 F425 V427 I435 L437 | L396-R402 CarbonylContact O-C 3.54Å; L396-L403 HydrophobicContact CD2-CB 4.29Å; L396-L403 HydrophobicContact CD2-CD1 4.43Å; L396-L403 HydrophobicContact CG-CB 4.29Å; L396-L403 HydrophobicContact CG-CD1 4.45Å; L396-L403 PolarHBondContact O-N 3.35Å; L396-K404 HydrophobicContact CB-CB 4.14Å; L396-K404 HydrophobicContact CD2-CB 4.17Å; L396-K404 PolarHBondContact N-O 3.01Å; L396-K404 PolarHBondContact O-N 3.22Å; L396-F425 HydrophobicContact CB-CD1 3.89Å; L396-F425 HydrophobicContact CB-CE1 3.89Å; L396-F425 HydrophobicContact CB-CG 4.44Å; L396-F425 HydrophobicContact CB-CZ 4.43Å; L396-F425 HydrophobicContact CD2-CB 4.32Å; L396-F425 HydrophobicContact CD2-CD1 4.09Å; L396-F425 HydrophobicContact CD2-CG 4.41Å; L396-V427 HydrophobicContact CD1-CG2 4.45Å; L396-V427 HydrophobicContact CD2-CG2 4.26Å; L396-I435 HydrophobicContact CD1-CB 3.91Å; L396-I435 HydrophobicContact CD1-CD1 3.51Å; L396-I435 HydrophobicContact CD1-CG1 4.33Å; L396-I435 HydrophobicContact CD1-CG2 4.1Å; L396-L437 HydrophobicContact CB-CD2 4.22Å; L396-L437 HydrophobicContact CD1-CD2 3.85Å |
| 397 | M | 95.7 | Very high | 94.6 | Very high | 27 Ų | 27 | 57.8 Ų | 57.8 | 13% | 0.133 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 148.5 | -173.6 | -55 | -63.8 | -62.1 | 0 | 0 | 110.6 | G400 R401 R402 I435 H436 | M397-G400 VanDerWaalsContact CE-O 3.25Å; M397-G400 WeakPolarHBondContact CE-O 3.26Å; M397-R401 CarbonylContact C-O 3.57Å; M397-R401 VanDerWaalsContact CA-O 3.29Å; M397-R401 WeakPolarHBondContact CA-O 3.49Å; M397-R402 HydrophobicContact CE-CB 4.04Å; M397-R402 HydrophobicContact SD-CB 3.53Å; M397-R402 VanDerWaalsContact SD-CB 3.53Å; M397-R402 HydrophobicContact SD-CG 3.72Å; M397-I435 CarbonylContact O-C 3.55Å; M397-I435 WeakPolarHBondContact O-CA 3Å; M397-I435 WeakPolarHBondContact O-CB 3.43Å; M397-H436 VanDerWaalsContact CB-CE1 3.43Å; M397-H436 WeakPolarHBondContact CB-CE1 3.34Å; M397-H436 VanDerWaalsContact CB-NE2 3.26Å; M397-H436 WeakPolarHBondContact CB-NE2 3.36Å; M397-H436 WeakPolarHBondContact CB-O 3.2Å; M397-H436 PolarHBondContact N-O 2.92Å; M397-H436 PolarHBondContact O-N 3.22Å |
| 398 | C | 93.4 | Very high | 95.3 | Very high | 17 Ų | 17 | 57.6 Ų | 57.6 | 12% | 0.115 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 129.8 | 172.1 | -167.9 | 0 | 0 | 0 | 0 | 107.4 | G400 R401 L403 I435 | C398-G400 PolarHBondContact O-N 3.18Å; C398-G400 VanDerWaalsContact O-N 3.13Å; C398-R401 PolarHBondContact N-O 3.31Å; C398-R401 WeakPolarHBondContact O-CA 3.01Å; C398-R401 WeakPolarHBondContact O-CB 3.43Å; C398-R401 PolarHBondContact O-N 3.38Å; C398-R401 VanDerWaalsContact O-O 3.13Å; C398-L403 HydrophobicContact CB-CD1 3.67Å; C398-L403 HydrophobicContact CB-CD2 4.28Å; C398-L403 HydrophobicContact CB-CG 3.96Å; C398-I435 HydrophobicContact CB-CG2 4.28Å |
| 399 | D | 87.4 | Confident | 95.7 | Very high | 132 Ų | 132 | 59.9 Ų | 59.9 | 71% | 0.706 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 42.2 | -178.9 | -51.3 | -48.9 | 0 | 0 | 0 | 114.5 | R401 | D399-R401 PolarHBondContact O-N 2.63Š|
| 400 | G | 84.8 | Confident | 95.8 | Very high | 61 Ų | 61 | 61.7 Ų | 61.7 | 63% | 0.629 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | -8.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | M397 C398 | M397-G400 VanDerWaalsContact CE-O 3.25Å; M397-G400 WeakPolarHBondContact CE-O 3.26Å; C398-G400 PolarHBondContact O-N 3.18Å; C398-G400 VanDerWaalsContact O-N 3.13Å |
| 401 | R | 91.3 | Very high | 95.8 | Very high | 197 Ų | 197 | 64.5 Ų | 64.5 | 74% | 0.743 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 138.4 | 176 | -59 | 180 | 177.8 | -170.2 | -0.6 | 110.5 | M397 C398 D399 | M397-R401 CarbonylContact C-O 3.57Å; M397-R401 VanDerWaalsContact CA-O 3.29Å; M397-R401 WeakPolarHBondContact CA-O 3.49Å; C398-R401 PolarHBondContact N-O 3.31Å; C398-R401 WeakPolarHBondContact O-CA 3.01Å; C398-R401 WeakPolarHBondContact O-CB 3.43Å; C398-R401 PolarHBondContact O-N 3.38Å; C398-R401 VanDerWaalsContact O-O 3.13Å; D399-R401 PolarHBondContact O-N 2.63Å |
| 402 | R | 95.2 | Very high | 95.6 | Very high | 153 Ų | 153 | 71.8 Ų | 71.8 | 58% | 0.577 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 108.5 | 176.9 | -174.8 | 176 | 65.4 | -137.4 | -8.2 | 110.9 | L396 M397 | L396-R402 CarbonylContact O-C 3.54Å; M397-R402 HydrophobicContact CE-CB 4.04Å; M397-R402 HydrophobicContact SD-CB 3.53Å; M397-R402 VanDerWaalsContact SD-CB 3.53Å; M397-R402 HydrophobicContact SD-CG 3.72Å |
| 403 | L | 94.9 | Very high | 95.3 | Very high | 109 Ų | 109 | 76.8 Ų | 76.8 | 57% | 0.571 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | -51.4 | -179.3 | -58.3 | -175.8 | 0 | 0 | 0 | 112.5 | L396 C398 | L396-L403 HydrophobicContact CD2-CB 4.29Å; L396-L403 HydrophobicContact CD2-CD1 4.43Å; L396-L403 HydrophobicContact CG-CB 4.29Å; L396-L403 HydrophobicContact CG-CD1 4.45Å; L396-L403 PolarHBondContact O-N 3.35Å; C398-L403 HydrophobicContact CB-CD1 3.67Å; C398-L403 HydrophobicContact CB-CD2 4.28Å; C398-L403 HydrophobicContact CB-CG 3.96Å |
| 404 | K | 96.4 | Very high | 95 | Very high | 65 Ų | 65 | 76.9 Ų | 76.9 | 28% | 0.283 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 147.1 | -172.1 | -159 | 158.4 | 178.6 | 168.8 | 0 | 109.8 | S395 L396 F425 D426 | S395-K404 WeakPolarHBondContact CA-O 3.25Å; L396-K404 HydrophobicContact CB-CB 4.14Å; L396-K404 HydrophobicContact CD2-CB 4.17Å; L396-K404 PolarHBondContact N-O 3.01Å; L396-K404 PolarHBondContact O-N 3.22Å; K404-F425 HydrophobicContact CB-CD1 3.99Å; K404-F425 HydrophobicContact CB-CE1 4.01Å; K404-F425 HydrophobicContact CD-CD1 4.12Å; K404-F425 HydrophobicContact CG-CD1 4.02Å; K404-F425 HydrophobicContact CG-CE1 4.08Å; K404-D426 IonicContact NZ-OD2 2.7Å; K404-D426 PolarHBondContact NZ-OD2 3.33Å |
| 405 | K | 97.1 | Very high | 94.6 | Very high | 92 Ų | 92 | 79.1 Ų | 79.1 | 40% | 0.4 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 139.6 | -176.6 | 179.6 | 179.1 | 163.5 | -168.9 | 0 | 110.6 | V394 | V394-K405 WeakPolarHBondContact O-CA 3.25Å |
| 406 | R | 98.3 | Very high | 94.5 | Very high | 128 Ų | 128 | 82.7 Ų | 82.7 | 48% | 0.483 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 165.7 | 175.8 | -66.1 | -64.7 | -178.5 | -107.2 | 14.8 | 109.7 | V394 I423 F425 | V394-R406 PolarHBondContact N-O 3.32Å; V394-R406 PolarHBondContact O-N 3.31Å; R406-I423 HydrophobicContact CB-CD1 4.17Å; R406-I423 HydrophobicContact CB-CG1 4.4Å; R406-I423 HydrophobicContact CB-CG2 3.64Å; R406-I423 HydrophobicContact CG-CG2 3.89Å; R406-F425 HydrophobicContact CG-CE1 4.28Å; R406-F425 HydrophobicContact CG-CZ 4.4Å |
| 407 | K | 97.6 | Very high | 94.5 | Very high | 140 Ų | 140 | 82.4 Ų | 82.4 | 61% | 0.609 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 155 | 174.9 | 64.3 | 165.7 | -174.5 | 166.6 | 0 | 110 | Y391 V392 | Y391-K407 HydrophobicContact CD2-CB 4.13Å; Y391-K407 HydrophobicContact CD2-CD 4.29Å; Y391-K407 HydrophobicContact CE2-CB 4.35Å; Y391-K407 HydrophobicContact CE2-CD 4.26Å; V392-K407 CarbonylContact O-C 3.58Å; V392-K407 WeakPolarHBondContact O-CA 3.4Å |
| 408 | T | 98.4 | Very high | 94.6 | Very high | 4 Ų | 4 | 85 Ų | 85 | 3% | 0.025 | 41% | 0.414 | C | S | . | . | trans | -77.3 | 175.7 | 166.5 | 63.2 | 0 | 0 | 0 | 0 | 111 | I373 V392 Y419 E421 I423 | I373-T408 HydrophobicContact CB-CG2 3.95Å; I373-T408 HydrophobicContact CG1-CG2 3.87Å; I373-T408 HydrophobicContact CG2-CG2 4.14Å; V392-T408 HydrophobicContact CB-CG2 3.95Å; V392-T408 PolarHBondContact N-OG1 3.4Å; V392-T408 PolarHBondContact O-N 3.45Å; T408-Y419 HydrophobicContact CG2-CD1 4.17Å; T408-Y419 HydrophobicContact CG2-CG 4.47Å; T408-Y419 WeakPolarHBondContact OG1-CE1 3.38Å; T408-E421 WeakPolarHBondContact CA-OE2 3.36Å; T408-E421 WeakPolarHBondContact CB-OE2 3.33Å; T408-E421 HydrophobicContact CG2-CB 4.13Å; T408-I423 HydrophobicContact CG2-CD1 4.37Å | ||
| 409 | S | 98 | Very high | 94.8 | Very high | 49 Ų | 49 | 84.8 Ų | 84.8 | 34% | 0.343 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 158.1 | 156.6 | 73.8 | 0 | 0 | 0 | 0 | 111.6 | K411 Y419 E421 | S409-K411 PolarHBondContact OG-NZ 3.11Å; S409-Y419 WeakPolarHBondContact O-CE1 3.17Å; S409-E421 WeakPolarHBondContact CB-OE1 3.49Å; S409-E421 PolarHBondContact N-OE1 2.92Å; S409-E421 PolarHBondContact N-OE2 2.75Å; S409-E421 PolarHBondContact OG-OE1 3.13Å |
| 410 | T | 97.4 | Very high | 95.3 | Very high | 46 Ų | 46 | 83.6 Ų | 83.6 | 28% | 0.282 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -89.4 | 129.8 | 172.7 | -57.2 | 0 | 0 | 0 | 0 | 109.4 | D389 P390 Y444 | D389-T410 HydrophobicContact CB-CG2 4.11Å; D389-T410 VanDerWaalsContact O-CG2 3.26Å; D389-T410 WeakPolarHBondContact O-CG2 3.3Å; P390-T410 WeakPolarHBondContact O-CA 3.23Å; T410-Y444 HydrophobicContact CG2-CD1 4.33Å; T410-Y444 HydrophobicContact CG2-CG 4.14Å |
| 411 | K | 97.4 | Very high | 96 | Very high | 58 Ų | 58 | 82.8 Ų | 82.8 | 25% | 0.252 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -97.8 | 142.8 | 167.3 | -51.7 | -44.6 | -169.3 | -161.9 | 0 | 108 | D389 P390 S409 T414 P417 V418 Y419 E421 | D389-K411 CarbonylContact C-O 3.46Å; D389-K411 VanDerWaalsContact CA-O 3.22Å; D389-K411 WeakPolarHBondContact CA-O 3.3Å; P390-K411 WeakPolarHBondContact CD-O 3.05Å; P390-K411 VanDerWaalsContact N-O 3.1Å; P390-K411 PolarHBondContact O-N 2.82Å; S409-K411 PolarHBondContact OG-NZ 3.11Å; K411-T414 HydrophobicContact CB-CG2 3.87Å; K411-P417 HydrophobicContact CB-CB 3.94Å; K411-P417 HydrophobicContact CG-CB 3.83Å; K411-V418 WeakPolarHBondContact CE-O 3.24Å; K411-Y419 HydrophobicContact CD-CD1 4.49Å; K411-Y419 HydrophobicContact CG-CD1 4.13Å; K411-Y419 HydrophobicContact CG-CE1 3.9Å; K411-E421 IonicContact NZ-OE1 2.79Å; K411-E421 PolarHBondContact NZ-OE1 3.47Å |
| 412 | R | 94.4 | Very high | 96.3 | Very high | 170 Ų | 170 | 76.7 Ų | 76.7 | 64% | 0.642 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -99.6 | 146.2 | -173.9 | -66.3 | -171.9 | 173 | 154.8 | -0.1 | 113.1 | D389 T414 | D389-R412 WeakPolarHBondContact OD1-CA 3.33Å; D389-R412 VanDerWaalsContact OD1-CB 3.3Å; D389-R412 WeakPolarHBondContact OD1-CB 3.4Å; R412-T414 VanDerWaalsContact C-N 3.34Å; R412-T414 PolarHBondContact O-N 3.26Å |
| 413 | N | 91.4 | Very high | 96.4 | Very high | 105 Ų | 105 | 70 Ų | 70 | 56% | 0.561 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 45.9 | 51.3 | 169.6 | -167.9 | 71.8 | 0 | 0 | 0 | 113.2 | A387 S388 D389 | A387-N413 WeakPolarHBondContact CB-OD1 3.43Å; S388-N413 CarbonylContact O-C 3.54Å; S388-N413 VanDerWaalsContact O-CA 3.23Å; S388-N413 WeakPolarHBondContact O-CA 3.4Å; S388-N413 PolarHBondContact O-N 3.1Å; S388-N413 VanDerWaalsContact O-N 3.08Å; D389-N413 PolarHBondContact OD1-N 3.09Å |
| 414 | T | 91.7 | Very high | 96.6 | Very high | 40 Ų | 40 | 67.4 Ų | 67.4 | 25% | 0.245 | 34% | 0.34 | C | S | . | . | trans | -148.7 | 136.8 | -175.7 | -177.1 | 0 | 0 | 0 | 0 | 113.6 | S388 P390 K411 R412 N416 P417 | S388-T414 PolarHBondContact O-N 3.28Å; P390-T414 VanDerWaalsContact CD-O 3.31Å; P390-T414 WeakPolarHBondContact CD-O 3.29Å; P390-T414 HydrophobicContact CG-CG2 4.12Å; P390-T414 WeakPolarHBondContact CG-O 3.49Å; K411-T414 HydrophobicContact CB-CG2 3.87Å; R412-T414 VanDerWaalsContact C-N 3.34Å; R412-T414 PolarHBondContact O-N 3.26Å; T414-N416 PolarHBondContact OG1-N 2.89Å; T414-N416 VanDerWaalsContact OG1-N 3.14Å; T414-P417 HydrophobicContact CG2-CB 3.96Å | ||
| 415 | L | 91.3 | Very high | 96.6 | Very high | 47 Ų | 47 | 64.3 Ų | 64.3 | 25% | 0.246 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -97.5 | -0.1 | 172.6 | -53.4 | -178.3 | 0 | 0 | 0 | 112.8 | R377 N378 L379 A381 P417 | R377-L415 CarbonylContact C-O 3.39Å; N378-L415 PolarHBondContact N-O 3Å; L379-L415 HydrophobicContact CB-CB 4.32Å; L379-L415 HydrophobicContact CB-CD2 4.43Å; L379-L415 WeakPolarHBondContact CB-O 3.5Å; L379-L415 PolarHBondContact N-O 2.92Å; L379-L415 WeakPolarHBondContact O-CD2 3.41Å; A381-L415 HydrophobicContact CB-CD1 4.12Å; A381-L415 HydrophobicContact CB-CD2 4.09Å; L415-P417 VanDerWaalsContact C-CD 3.48Å |
| 416 | N | 94.5 | Very high | 96.6 | Very high | 88 Ų | 88 | 64.8 Ų | 64.8 | 47% | 0.471 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -133.9 | 58.5 | -179.7 | -58.9 | -78.6 | 0 | 0 | 0 | 111 | A376 R377 N378 T414 | A376-N416 CarbonylContact O-C 3.55Å; A376-N416 WeakPolarHBondContact O-CA 3.36Å; R377-N416 WeakPolarHBondContact CA-OD1 3.44Å; R377-N416 WeakPolarHBondContact CB-OD1 3.19Å; N378-N416 PolarHBondContact N-OD1 3.49Å; T414-N416 PolarHBondContact OG1-N 2.89Å; T414-N416 VanDerWaalsContact OG1-N 3.14Å |
| 417 | P | 97.3 | Very high | 96.5 | Very high | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.019 | 31% | 0.311 | C | S | . | . | trans | -69.3 | 140.2 | -176.8 | 30 | -37.4 | 0 | 0 | 0 | 112.3 | K375 A376 L379 P390 K411 T414 L415 Y419 | K375-P417 CarbonylContact C-O 3.51Å; K375-P417 WeakPolarHBondContact CA-O 3.11Å; K375-P417 WeakPolarHBondContact CB-O 3.38Å; A376-P417 HydrophobicContact CB-CG 3.9Å; A376-P417 PolarHBondContact N-O 3.35Å; L379-P417 HydrophobicContact CD1-CG 3.77Å; P390-P417 HydrophobicContact CB-CG 4.3Å; P390-P417 HydrophobicContact CG-CB 3.93Å; P390-P417 HydrophobicContact CG-CG 3.69Å; K411-P417 HydrophobicContact CB-CB 3.94Å; K411-P417 HydrophobicContact CG-CB 3.83Å; T414-P417 HydrophobicContact CG2-CB 3.96Å; L415-P417 VanDerWaalsContact C-CD 3.48Å; P417-Y419 HydrophobicContact CB-CD2 4.47Å; P417-Y419 HydrophobicContact CB-CE1 4.41Å; P417-Y419 HydrophobicContact CB-CE2 3.76Å; P417-Y419 HydrophobicContact CG-CE2 3.63Å; P417-Y419 WeakPolarHBondContact CG-OH 3.49Å | ||
| 418 | V | 98.2 | Very high | 96.4 | Very high | 80 Ų | 80 | 54.9 Ų | 54.9 | 49% | 0.485 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 129.2 | 167 | -179.5 | 0 | 0 | 0 | 0 | 108 | K375 K411 | K375-V418 HydrophobicContact CB-CB 4.37Å; K375-V418 HydrophobicContact CB-CG1 4.49Å; K375-V418 HydrophobicContact CB-CG2 4.01Å; K411-V418 WeakPolarHBondContact CE-O 3.24Å |
| 419 | Y | 98.3 | Very high | 96.2 | Very high | 14 Ų | 14 | 57.3 Ų | 57.3 | 6% | 0.055 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | -57.7 | -177.6 | -58.6 | -86.7 | 0 | 0 | 0 | 111.2 | I373 I374 P390 V392 T408 S409 K411 P417 E421 | I373-Y419 HydrophobicContact CG2-CD2 3.61Å; I373-Y419 HydrophobicContact CG2-CE2 4.21Å; I373-Y419 HydrophobicContact CG2-CG 3.95Å; I373-Y419 WeakPolarHBondContact O-CB 3.27Å; I374-Y419 PolarHBondContact O-N 2.84Å; P390-Y419 PolarHBondContact O-OH 3.38Å; V392-Y419 HydrophobicContact CG2-CD2 4.41Å; V392-Y419 HydrophobicContact CG2-CE1 4.38Å; V392-Y419 HydrophobicContact CG2-CE2 3.74Å; T408-Y419 HydrophobicContact CG2-CD1 4.17Å; T408-Y419 HydrophobicContact CG2-CG 4.47Å; T408-Y419 WeakPolarHBondContact OG1-CE1 3.38Å; S409-Y419 WeakPolarHBondContact O-CE1 3.17Å; K411-Y419 HydrophobicContact CD-CD1 4.49Å; K411-Y419 HydrophobicContact CG-CD1 4.13Å; K411-Y419 HydrophobicContact CG-CE1 3.9Å; P417-Y419 HydrophobicContact CB-CD2 4.47Å; P417-Y419 HydrophobicContact CB-CE1 4.41Å; P417-Y419 HydrophobicContact CB-CE2 3.76Å; P417-Y419 HydrophobicContact CG-CE2 3.63Å; P417-Y419 WeakPolarHBondContact CG-OH 3.49Å; Y419-E421 VanDerWaalsContact C-N 3.25Å; Y419-E421 PolarHBondContact O-N 2.9Å |
| 420 | N | 97.8 | Very high | 96 | Very high | 106 Ų | 106 | 61.5 Ų | 61.5 | 57% | 0.567 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 54.4 | 37.1 | -168.8 | -58.1 | -31.9 | 0 | 0 | 0 | 113.5 | I373 I374 | I373-N420 CarbonylContact O-C 3.6Å; I373-N420 VanDerWaalsContact O-CA 3.26Å; I373-N420 WeakPolarHBondContact O-CA 3.49Å; I373-N420 PolarHBondContact O-N 3.31Å; I374-N420 PolarHBondContact O-N 3.01Å; I374-N420 VanDerWaalsContact O-N 3.09Å; I374-N420 PolarHBondContact O-OD1 2.97Å |
| 421 | E | 98.5 | Very high | 95.8 | Very high | 45 Ų | 45 | 62.7 Ų | 62.7 | 21% | 0.21 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 118.5 | -172.5 | -71.9 | 175.5 | -126.7 | 0 | 0 | 111.6 | T372 I373 T408 S409 K411 Y419 | T372-E421 WeakPolarHBondContact CA-O 3.29Å; I373-E421 PolarHBondContact N-O 3.04Å; I373-E421 PolarHBondContact O-N 3.11Å; T408-E421 WeakPolarHBondContact CA-OE2 3.36Å; T408-E421 WeakPolarHBondContact CB-OE2 3.33Å; T408-E421 HydrophobicContact CG2-CB 4.13Å; S409-E421 WeakPolarHBondContact CB-OE1 3.49Å; S409-E421 PolarHBondContact N-OE1 2.92Å; S409-E421 PolarHBondContact N-OE2 2.75Å; S409-E421 PolarHBondContact OG-OE1 3.13Å; K411-E421 IonicContact NZ-OE1 2.79Å; K411-E421 PolarHBondContact NZ-OE1 3.47Å; Y419-E421 VanDerWaalsContact C-N 3.25Å; Y419-E421 PolarHBondContact O-N 2.9Å |
| 422 | A | 98.1 | Very high | 95.6 | Very high | 68 Ų | 68 | 60.5 Ų | 60.5 | 56% | 0.562 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 125 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | T370 T372 | T370-A422 HydrophobicContact CG2-CB 4.42Å; T372-A422 HydrophobicContact CG2-CB 4.4Å |
| 423 | I | 98.3 | Very high | 95.5 | Very high | 14 Ų | 14 | 57.1 Ų | 57.1 | 7% | 0.072 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 129.5 | 173.8 | -67.2 | 172.9 | 0 | 0 | 0 | 108 | I371 I373 V394 R406 T408 F425 | I371-I423 HydrophobicContact CG2-CB 3.95Å; I371-I423 HydrophobicContact CG2-CG2 4.17Å; I371-I423 PolarHBondContact N-O 3.37Å; I371-I423 PolarHBondContact O-N 2.92Å; I373-I423 HydrophobicContact CG1-CD1 4.38Å; V394-I423 HydrophobicContact CB-CD1 4.28Å; V394-I423 HydrophobicContact CG2-CD1 3.81Å; R406-I423 HydrophobicContact CB-CD1 4.17Å; R406-I423 HydrophobicContact CB-CG1 4.4Å; R406-I423 HydrophobicContact CB-CG2 3.64Å; R406-I423 HydrophobicContact CG-CG2 3.89Å; T408-I423 HydrophobicContact CG2-CD1 4.37Å; I423-F425 HydrophobicContact CG2-CD2 4.21Å; I423-F425 HydrophobicContact CG2-CE2 3.52Å; I423-F425 HydrophobicContact CG2-CZ 3.73Å |
| 424 | V | 97.9 | Very high | 95.5 | Very high | 54 Ų | 54 | 57.2 Ų | 57.2 | 33% | 0.327 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 137.5 | -177.8 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | R368 L369 T370 | R368-V424 HydrophobicContact CG-CG1 3.49Å; R368-V424 VanDerWaalsContact CG-CG1 3.49Å; L369-V424 WeakPolarHBondContact O-CA 3.47Å; T370-V424 HydrophobicContact CG2-CG2 4.13Å |
| 425 | F | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 138.6 | 171.6 | -62.5 | -79.3 | 0 | 0 | 0 | 110.3 | L369 I371 V394 L396 K404 R406 I423 V427 L437 | L369-F425 HydrophobicContact CB-CB 4.38Å; L369-F425 PolarHBondContact N-O 2.84Å; L369-F425 PolarHBondContact O-N 3.01Å; I371-F425 HydrophobicContact CG2-CD2 4.36Å; I371-F425 HydrophobicContact CG2-CE2 3.97Å; V394-F425 HydrophobicContact CB-CE2 4.39Å; V394-F425 HydrophobicContact CB-CZ 4.23Å; V394-F425 HydrophobicContact CG1-CE2 3.68Å; V394-F425 HydrophobicContact CG1-CZ 3.82Å; L396-F425 HydrophobicContact CB-CD1 3.89Å; L396-F425 HydrophobicContact CB-CE1 3.89Å; L396-F425 HydrophobicContact CB-CG 4.44Å; L396-F425 HydrophobicContact CB-CZ 4.43Å; L396-F425 HydrophobicContact CD2-CB 4.32Å; L396-F425 HydrophobicContact CD2-CD1 4.09Å; L396-F425 HydrophobicContact CD2-CG 4.41Å; K404-F425 HydrophobicContact CB-CD1 3.99Å; K404-F425 HydrophobicContact CB-CE1 4.01Å; K404-F425 HydrophobicContact CD-CD1 4.12Å; K404-F425 HydrophobicContact CG-CD1 4.02Å; K404-F425 HydrophobicContact CG-CE1 4.08Å; R406-F425 HydrophobicContact CG-CE1 4.28Å; R406-F425 HydrophobicContact CG-CZ 4.4Å; I423-F425 HydrophobicContact CG2-CD2 4.21Å; I423-F425 HydrophobicContact CG2-CE2 3.52Å; I423-F425 HydrophobicContact CG2-CZ 3.73Å; F425-V427 HydrophobicContact CB-CG2 4.08Å; F425-L437 HydrophobicContact CD2-CD2 4.11Å; F425-L437 HydrophobicContact CE2-CD2 4.01Å |
| 426 | D | 96.8 | Very high | 96 | Very high | 101 Ų | 101 | 55.4 Ų | 55.4 | 54% | 0.54 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 111.6 | 176.8 | -30.2 | -83.5 | 0 | 0 | 0 | 107 | G367 K404 | G367-D426 CarbonylContact O-C 3.51Å; G367-D426 WeakPolarHBondContact O-CA 3.23Å; K404-D426 IonicContact NZ-OD2 2.7Å; K404-D426 PolarHBondContact NZ-OD2 3.33Å |
| 427 | V | 96.1 | Very high | 96.1 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.024 | 28% | 0.282 | C | S | . | . | trans | -137.8 | 99.9 | -171.7 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | Y362 G367 L369 L396 F425 I432 I435 | Y362-V427 HydrophobicContact CE2-CB 4.29Å; Y362-V427 WeakPolarHBondContact CE2-O 3.42Å; Y362-V427 PolarHBondContact OH-O 3.4Å; G367-V427 CarbonylContact C-O 3.34Å; G367-V427 WeakPolarHBondContact CA-O 3.42Å; G367-V427 CarbonylContact O-C 3.55Å; G367-V427 PolarHBondContact O-N 3.44Å; G367-V427 VanDerWaalsContact O-O 3.11Å; L369-V427 HydrophobicContact CB-CB 4.35Å; L369-V427 HydrophobicContact CB-CG2 3.96Å; L369-V427 HydrophobicContact CD2-CG2 4.17Å; L396-V427 HydrophobicContact CD1-CG2 4.45Å; L396-V427 HydrophobicContact CD2-CG2 4.26Å; F425-V427 HydrophobicContact CB-CG2 4.08Å; V427-I432 HydrophobicContact CG1-CD1 3.78Å; V427-I435 HydrophobicContact CB-CD1 4.36Å; V427-I435 HydrophobicContact CG1-CD1 3.57Å; V427-I435 HydrophobicContact CG1-CG1 4.3Å; V427-I435 HydrophobicContact CG2-CD1 3.85Å | ||
| 428 | P | 95.6 | Very high | 96 | Very high | 57 Ų | 57 | 52.4 Ų | 52.4 | 37% | 0.37 | 29% | 0.291 | S | S | . | . | trans | -58 | 147.5 | 172.6 | -24.2 | 34.8 | 0 | 0 | 0 | 112.1 | E430 N431 | P428-E430 WeakPolarHBondContact CB-OE2 3.29Å; P428-E430 PolarHBondContact O-N 2.84Å; P428-E430 VanDerWaalsContact O-N 3.15Å; P428-N431 PolarHBondContact O-N 3.36Å | ||
| 429 | P | 93.9 | Very high | 96 | Very high | 54 Ų | 54 | 48.6 Ų | 48.6 | 35% | 0.351 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -55.5 | -31.2 | -177.9 | -27.3 | 36.4 | 0 | 0 | 0 | 114.2 | Y362 P364 N431 I432 | Y362-P429 VanDerWaalsContact OH-CA 3.32Å; Y362-P429 WeakPolarHBondContact OH-CA 3.33Å; P364-P429 HydrophobicContact CB-CG 4.29Å; P364-P429 WeakPolarHBondContact O-CG 3.43Å; P429-N431 PolarHBondContact O-N 3.35Å; P429-I432 VanDerWaalsContact O-CG2 3.22Å; P429-I432 WeakPolarHBondContact O-CG2 3.36Å; P429-I432 PolarHBondContact O-N 3.42Å |
| 430 | E | 93.9 | Very high | 96 | Very high | 138 Ų | 138 | 48.6 Ų | 48.6 | 65% | 0.645 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -67.4 | -21 | -178.4 | -52.5 | 71.7 | -154.6 | 0 | 0 | 112.5 | P428 | P428-E430 WeakPolarHBondContact CB-OE2 3.29Å; P428-E430 PolarHBondContact O-N 2.84Å; P428-E430 VanDerWaalsContact O-N 3.15Å |
| 431 | N | 93.3 | Very high | 96 | Very high | 70 Ų | 70 | 43.5 Ų | 43.5 | 37% | 0.374 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -105 | -5.6 | -176.2 | -62.7 | -22.8 | 0 | 0 | 0 | 113 | P428 P429 D433 Q434 | P428-N431 PolarHBondContact O-N 3.36Å; P429-N431 PolarHBondContact O-N 3.35Å; N431-D433 VanDerWaalsContact C-N 3.25Å; N431-D433 PolarHBondContact O-N 2.86Å; N431-Q434 PolarHBondContact O-N 2.94Å |
| 432 | I | 93.1 | Very high | 95.9 | Very high | 12 Ų | 12 | 41.7 Ų | 41.7 | 6% | 0.062 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -32 | -169.4 | -163.5 | 59.4 | 0 | 0 | 0 | 113 | Y362 V427 P429 I435 W470 L474 | Y362-I432 HydrophobicContact CD1-CD1 4.19Å; Y362-I432 HydrophobicContact CD1-CG1 4.27Å; Y362-I432 HydrophobicContact CD2-CD1 3.99Å; Y362-I432 HydrophobicContact CE1-CB 4.5Å; Y362-I432 HydrophobicContact CE1-CD1 4.03Å; Y362-I432 HydrophobicContact CE1-CG1 3.99Å; Y362-I432 HydrophobicContact CE2-CD1 3.83Å; Y362-I432 HydrophobicContact CG-CD1 4.19Å; V427-I432 HydrophobicContact CG1-CD1 3.78Å; P429-I432 VanDerWaalsContact O-CG2 3.22Å; P429-I432 WeakPolarHBondContact O-CG2 3.36Å; P429-I432 PolarHBondContact O-N 3.42Å; I432-I435 HydrophobicContact CD1-CD1 4.21Å; I432-I435 VanDerWaalsContact O-CG1 3.31Å; I432-I435 WeakPolarHBondContact O-CG1 3.45Å; I432-W470 HydrophobicContact CD1-CH2 4.42Å; I432-W470 HydrophobicContact CD1-CZ2 3.92Å; I432-W470 HydrophobicContact CG1-CZ2 4.41Å; I432-L474 HydrophobicContact CD1-CD2 4.41Å; I432-L474 HydrophobicContact CG1-CD2 3.66Å |
| 433 | D | 91.7 | Very high | 95.7 | Very high | 100 Ų | 100 | 38.5 Ų | 38.5 | 54% | 0.535 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -18.4 | -177.6 | -68.1 | -53.9 | 0 | 0 | 0 | 114.3 | N431 N460 | N431-D433 VanDerWaalsContact C-N 3.25Å; N431-D433 PolarHBondContact O-N 2.86Å; D433-N460 VanDerWaalsContact CA-ND2 3.32Å; D433-N460 WeakPolarHBondContact CA-ND2 3.47Å; D433-N460 WeakPolarHBondContact CB-ND2 3.41Å; D433-N460 PolarHBondContact O-ND2 2.9Å; D433-N460 PolarHBondContact OD1-ND2 3.49Å |
| 434 | Q | 92.6 | Very high | 95.5 | Very high | 107 Ų | 107 | 42.1 Ų | 42.1 | 50% | 0.5 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -15.8 | -178.7 | -60.9 | 171.6 | 38 | 0 | 0 | 112.1 | N431 | N431-Q434 PolarHBondContact O-N 2.94Š|
| 435 | I | 95.6 | Very high | 94.9 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.036 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 158.9 | -175.8 | 63.7 | 151.7 | 0 | 0 | 0 | 113.5 | L369 L396 M397 C398 V427 I432 W470 | L369-I435 HydrophobicContact CD2-CD1 4.01Å; L396-I435 HydrophobicContact CD1-CB 3.91Å; L396-I435 HydrophobicContact CD1-CD1 3.51Å; L396-I435 HydrophobicContact CD1-CG1 4.33Å; L396-I435 HydrophobicContact CD1-CG2 4.1Å; M397-I435 CarbonylContact O-C 3.55Å; M397-I435 WeakPolarHBondContact O-CA 3Å; M397-I435 WeakPolarHBondContact O-CB 3.43Å; C398-I435 HydrophobicContact CB-CG2 4.28Å; V427-I435 HydrophobicContact CB-CD1 4.36Å; V427-I435 HydrophobicContact CG1-CD1 3.57Å; V427-I435 HydrophobicContact CG1-CG1 4.3Å; V427-I435 HydrophobicContact CG2-CD1 3.85Å; I432-I435 HydrophobicContact CD1-CD1 4.21Å; I432-I435 VanDerWaalsContact O-CG1 3.31Å; I432-I435 WeakPolarHBondContact O-CG1 3.45Å; I435-W470 HydrophobicContact CD1-CH2 3.78Å; I435-W470 HydrophobicContact CD1-CZ2 3.97Å; I435-W470 HydrophobicContact CG1-CH2 4.23Å; I435-W470 HydrophobicContact CG1-CZ2 3.98Å |
| 436 | H | 95.9 | Very high | 93.9 | Very high | 42 Ų | 42 | 50 Ų | 50 | 19% | 0.194 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 159.2 | 162.2 | 60.4 | -86.4 | 0 | 0 | 0 | 110.5 | M397 V458 | M397-H436 VanDerWaalsContact CB-CE1 3.43Å; M397-H436 WeakPolarHBondContact CB-CE1 3.34Å; M397-H436 VanDerWaalsContact CB-NE2 3.26Å; M397-H436 WeakPolarHBondContact CB-NE2 3.36Å; M397-H436 WeakPolarHBondContact CB-O 3.2Å; M397-H436 PolarHBondContact N-O 2.92Å; M397-H436 PolarHBondContact O-N 3.22Å; H436-V458 CarbonylContact C-O 3.16Å; H436-V458 WeakPolarHBondContact CA-O 3.36Å; H436-V458 WeakPolarHBondContact CB-O 3.06Å |
| 437 | L | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 120.8 | 169.4 | -57.2 | 179.5 | 0 | 0 | 0 | 109.5 | L360 L369 I371 V394 S395 L396 F425 I439 Q457 V458 W470 | L360-L437 HydrophobicContact CD2-CD1 4.06Å; L369-L437 HydrophobicContact CD2-CD1 4.16Å; L369-L437 HydrophobicContact CD2-CD2 4.13Å; L369-L437 HydrophobicContact CD2-CG 4.31Å; I371-L437 HydrophobicContact CB-CD1 4.21Å; I371-L437 HydrophobicContact CD1-CD1 3.93Å; I371-L437 HydrophobicContact CG2-CD1 4.14Å; V394-L437 HydrophobicContact CG1-CB 4.38Å; V394-L437 HydrophobicContact CG1-CD1 4.43Å; V394-L437 HydrophobicContact CG1-CD2 4.31Å; S395-L437 WeakPolarHBondContact O-CA 3.31Å; L396-L437 HydrophobicContact CB-CD2 4.22Å; L396-L437 HydrophobicContact CD1-CD2 3.85Å; F425-L437 HydrophobicContact CD2-CD2 4.11Å; F425-L437 HydrophobicContact CE2-CD2 4.01Å; L437-I439 HydrophobicContact CB-CG1 4.33Å; L437-Q457 WeakPolarHBondContact O-CA 3.19Å; L437-V458 HydrophobicContact CB-CG2 3.76Å; L437-V458 HydrophobicContact CD1-CG2 4.19Å; L437-V458 HydrophobicContact CG-CG2 4.28Å; L437-V458 PolarHBondContact N-O 3.44Å; L437-V458 PolarHBondContact O-N 3.26Å; L437-V458 VanDerWaalsContact O-N 3.09Å; L437-W470 HydrophobicContact CD1-CZ3 4.27Å; L437-W470 HydrophobicContact CG-CZ3 4.14Å |
| 438 | S | 96.1 | Very high | 91.8 | Very high | 28 Ų | 28 | 54.5 Ų | 54.5 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 118.7 | 165.8 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | S395 | S395-S438 PolarHBondContact N-O 3.35Å; S395-S438 PolarHBondContact O-N 3.38Å |
| 439 | I | 97.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 116.5 | -173.2 | -56.5 | 163.4 | 0 | 0 | 0 | 107.8 | L356 F358 I371 V392 V394 L437 V455 C456 V458 | L356-I439 HydrophobicContact CD2-CG2 3.54Å; F358-I439 HydrophobicContact CD1-CD1 4.24Å; F358-I439 HydrophobicContact CD2-CD1 4.34Å; F358-I439 HydrophobicContact CE1-CD1 3.71Å; F358-I439 HydrophobicContact CE2-CD1 3.84Å; F358-I439 HydrophobicContact CZ-CD1 3.49Å; F358-I439 VanDerWaalsContact CZ-CD1 3.49Å; I371-I439 HydrophobicContact CD1-CD1 3.59Å; I371-I439 HydrophobicContact CD1-CG1 4.2Å; V392-I439 HydrophobicContact CG1-CG2 3.68Å; V394-I439 HydrophobicContact CG1-CG1 4.26Å; V394-I439 HydrophobicContact CG2-CG1 4.45Å; V394-I439 HydrophobicContact CG2-CG2 4.43Å; L437-I439 HydrophobicContact CB-CG1 4.33Å; I439-V455 CarbonylContact O-C 3.57Å; I439-V455 VanDerWaalsContact O-CA 3.32Å; I439-V455 WeakPolarHBondContact O-CA 3.04Å; I439-C456 PolarHBondContact N-O 2.8Å; I439-C456 PolarHBondContact O-N 3.32Å; I439-C456 VanDerWaalsContact O-O 3.12Å; I439-V458 HydrophobicContact CD1-CG2 4.15Å |
| 440 | A | 97.6 | Very high | 90.7 | Very high | 13 Ų | 13 | 60.4 Ų | 60.4 | 11% | 0.107 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 128.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | K393 M442 V455 | K393-A440 HydrophobicContact CB-CB 4.4Å; K393-A440 PolarHBondContact N-O 3.38Å; K393-A440 PolarHBondContact O-N 3.45Å; A440-M442 HydrophobicContact CB-SD 4.08Å; A440-V455 HydrophobicContact CB-CG1 3.86Å |
| 441 | V | 97.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 128.1 | 164.7 | -171.7 | 0 | 0 | 0 | 0 | 107.6 | L356 L379 P390 V392 I453 G454 L487 | L356-V441 HydrophobicContact CD1-CG2 4.32Å; L356-V441 HydrophobicContact CD2-CG2 4.08Å; L379-V441 HydrophobicContact CD1-CG1 4.06Å; L379-V441 HydrophobicContact CD2-CG1 4.12Å; P390-V441 HydrophobicContact CB-CG1 4.46Å; V392-V441 HydrophobicContact CG2-CG2 4.23Å; V441-I453 HydrophobicContact CB-CB 4.42Å; V441-I453 HydrophobicContact CG1-CB 4.29Å; V441-I453 HydrophobicContact CG1-CD1 4.21Å; V441-I453 PolarHBondContact O-N 3.28Å; V441-G454 PolarHBondContact N-O 3.06Å; V441-G454 PolarHBondContact O-N 2.95Å; V441-L487 HydrophobicContact CB-CD1 4Å; V441-L487 HydrophobicContact CG2-CD1 3.62Å; V441-L487 HydrophobicContact CG2-CD2 3.79Å; V441-L487 HydrophobicContact CG2-CG 4.38Å |
| 442 | M | 96.7 | Very high | 90.4 | Very high | 7 Ų | 7 | 57.5 Ų | 57.5 | 3% | 0.034 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 150.1 | -170 | -59 | -70.7 | -35.1 | 0 | 0 | 109.2 | P390 Y391 K393 A440 N450 E451 I452 | P390-M442 CarbonylContact C-O 3.43Å; P390-M442 VanDerWaalsContact CA-O 3.27Å; P390-M442 WeakPolarHBondContact CA-O 3.41Å; Y391-M442 HydrophobicContact CD1-CB 3.76Å; Y391-M442 HydrophobicContact CD2-CB 4.2Å; Y391-M442 HydrophobicContact CD2-CG 4.44Å; Y391-M442 HydrophobicContact CE1-CB 3.38Å; Y391-M442 HydrophobicContact CE1-CG 4.25Å; Y391-M442 HydrophobicContact CE2-CB 3.86Å; Y391-M442 HydrophobicContact CE2-CG 3.89Å; Y391-M442 HydrophobicContact CG-CB 4.15Å; Y391-M442 VanDerWaalsContact CZ-CB 3.42Å; Y391-M442 PolarHBondContact N-O 2.87Å; Y391-M442 WeakPolarHBondContact O-CB 3.29Å; Y391-M442 PolarHBondContact O-N 3.27Å; K393-M442 HydrophobicContact CB-CG 3.88Å; K393-M442 HydrophobicContact CD-CG 4.03Å; K393-M442 HydrophobicContact CD-SD 3.93Å; K393-M442 PolarHBondContact NZ-SD 3.44Å; A440-M442 HydrophobicContact CB-SD 4.08Å; M442-N450 HydrophobicContact CE-CB 4.18Å; M442-N450 VanDerWaalsContact CE-O 3.25Å; M442-N450 WeakPolarHBondContact CE-O 3.43Å; M442-E451 WeakPolarHBondContact CE-O 3.16Å; M442-I452 HydrophobicContact CE-CB 4.44Å; M442-I452 HydrophobicContact CE-CG1 3.7Å; M442-I452 HydrophobicContact SD-CB 4.45Å; M442-I452 HydrophobicContact SD-CG1 3.82Å |
| 443 | D | 95.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -92.8 | 159.6 | 166.2 | -156.7 | 6.3 | 0 | 0 | 0 | 112.1 | M382 S388 D389 Y391 N450 E451 I453 | M382-D443 HydrophobicContact CB-CB 4.48Å; M382-D443 VanDerWaalsContact CB-OD2 3.24Å; M382-D443 WeakPolarHBondContact CB-OD2 3.5Å; S388-D443 WeakPolarHBondContact CB-OD1 3.38Å; D389-D443 VanDerWaalsContact C-OD1 3.3Å; D389-D443 WeakPolarHBondContact CA-OD1 3.43Å; D389-D443 PolarHBondContact N-OD1 2.59Å; Y391-D443 WeakPolarHBondContact CE1-O 3.43Å; D443-N450 WeakPolarHBondContact O-CB 3.3Å; D443-N450 PolarHBondContact O-ND2 2.9Å; D443-E451 PolarHBondContact N-O 2.87Å; D443-I453 HydrophobicContact CB-CD1 4.2Å; D443-I453 HydrophobicContact CB-CG1 4.13Å | ||
| 444 | Y | 93.4 | Very high | 90.5 | Very high | 91 Ų | 91 | 52.3 Ų | 52.3 | 36% | 0.357 | 27% | 0.269 | S | S | . | . | trans | -117.9 | 82.3 | 176.2 | -178.3 | -97.9 | 0 | 0 | 0 | 112.9 | D389 T410 R446 N450 | D389-Y444 HydrophobicContact CB-CD1 4.48Å; D389-Y444 VanDerWaalsContact O-CB 3.29Å; D389-Y444 WeakPolarHBondContact O-CB 3.49Å; D389-Y444 PolarHBondContact O-N 2.96Å; D389-Y444 VanDerWaalsContact O-N 3.08Å; T410-Y444 HydrophobicContact CG2-CD1 4.33Å; T410-Y444 HydrophobicContact CG2-CG 4.14Å; Y444-R446 HydrophobicContact CE1-CG 4.14Å; Y444-R446 PolarHBondContact O-N 3.49Å; Y444-N450 WeakPolarHBondContact CA-ND2 3.45Å; Y444-N450 WeakPolarHBondContact CD2-ND2 3.34Å | ||
| 445 | D | 85.8 | Confident | 90.6 | Very high | 43 Ų | 43 | 47.8 Ų | 47.8 | 23% | 0.23 | 25% | 0.249 | C | C | . | . | trans | -59.5 | 125.2 | 165.6 | -50.5 | -101.4 | 0 | 0 | 0 | 111.2 | V447 N450 E451 | D445-V447 VanDerWaalsContact C-N 3.29Å; D445-N450 WeakPolarHBondContact OD2-CA 3.13Å; D445-N450 PolarHBondContact OD2-N 3.42Å; D445-E451 PolarHBondContact OD2-N 2.92Å | ||
| 446 | R | 76.6 | Confident | 90.5 | Very high | 176 Ų | 176 | 47.9 Ų | 47.9 | 66% | 0.664 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -73.1 | -24.4 | 170.4 | -59.2 | -174.9 | -167 | 176.2 | 9.5 | 112.7 | D389 Y444 | D389-R446 IonicContact OD2-NE 2.66Å; Y444-R446 HydrophobicContact CE1-CG 4.14Å; Y444-R446 PolarHBondContact O-N 3.49Å |
| 447 | V | 73.6 | Confident | 90.4 | Very high | 141 Ų | 141 | 50.3 Ų | 50.3 | 86% | 0.855 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -140.9 | 97.6 | -177.4 | -178.5 | 0 | 0 | 0 | 0 | 107.6 | D445 | D445-V447 VanDerWaalsContact C-N 3.29Š|
| 448 | G | 75.1 | Confident | 90.4 | Very high | 59 Ų | 59 | 50.3 Ų | 50.3 | 61% | 0.608 | 26% | 0.262 | S | S | * | . | S | Bend | trans | 142.9 | -143.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 449 | H | 79.5 | Confident | 90.3 | Very high | 170 Ų | 170 | 49 Ų | 49 | 79% | 0.787 | 25% | 0.252 | S | S | * | . | trans | -132.3 | 117 | 180 | -69.2 | -31.2 | 0 | 0 | 0 | 110.7 | E451 | H449-E451 PolarHBondContact O-N 3.23Š| ||
| 450 | N | 87.2 | Confident | 89.9 | Confident | 64 Ų | 64 | 51.1 Ų | 51.1 | 34% | 0.342 | 26% | 0.263 | S | S | . | . | trans | -35 | 100.1 | 177.8 | -63.8 | 97.3 | 0 | 0 | 0 | 115 | M442 D443 Y444 D445 | M442-N450 HydrophobicContact CE-CB 4.18Å; M442-N450 VanDerWaalsContact CE-O 3.25Å; M442-N450 WeakPolarHBondContact CE-O 3.43Å; D443-N450 WeakPolarHBondContact O-CB 3.3Å; D443-N450 PolarHBondContact O-ND2 2.9Å; Y444-N450 WeakPolarHBondContact CA-ND2 3.45Å; Y444-N450 WeakPolarHBondContact CD2-ND2 3.34Å; D445-N450 WeakPolarHBondContact OD2-CA 3.13Å; D445-N450 PolarHBondContact OD2-N 3.42Å | ||
| 451 | E | 88.9 | Confident | 89.3 | Confident | 72 Ų | 72 | 57.9 Ų | 57.9 | 34% | 0.336 | 29% | 0.293 | S | S | . | . | trans | -72.2 | 151.9 | 178.5 | -64.6 | -138.8 | 134.3 | 0 | 0 | 112.8 | R315 M382 M442 D443 D445 H449 | R315-E451 IonicContact CZ-OE1 2.69Å; R315-E451 IonicContact NH2-OE1 3.19Å; R315-E451 PolarHBondContact NH2-OE1 3.27Å; R315-E451 IonicContact NH2-OE2 2.77Å; R315-E451 PolarHBondContact NH2-OE2 3.49Å; M382-E451 HydrophobicContact CE-CB 4Å; M382-E451 WeakPolarHBondContact CE-OE2 3.22Å; M442-E451 WeakPolarHBondContact CE-O 3.16Å; D443-E451 PolarHBondContact N-O 2.87Å; D445-E451 PolarHBondContact OD2-N 2.92Å; H449-E451 PolarHBondContact O-N 3.23Å | ||
| 452 | I | 91.9 | Very high | 88.8 | Confident | 75 Ų | 75 | 58.2 Ų | 58.2 | 39% | 0.385 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 121.5 | 174.6 | -56.4 | 179 | 0 | 0 | 0 | 108.2 | M442 V455 K490 | M442-I452 HydrophobicContact CE-CB 4.44Å; M442-I452 HydrophobicContact CE-CG1 3.7Å; M442-I452 HydrophobicContact SD-CB 4.45Å; M442-I452 HydrophobicContact SD-CG1 3.82Å; I452-V455 HydrophobicContact CG2-CG1 4.04Å; I452-K490 HydrophobicContact CD1-CB 4.42Å; I452-K490 HydrophobicContact CD1-CD 3.64Å; I452-K490 HydrophobicContact CD1-CG 4.49Å |
| 453 | I | 92.3 | Very high | 88 | Confident | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.015 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | -47.4 | 173.6 | -57.2 | -174.4 | 0 | 0 | 0 | 109.4 | L353 L379 K380 M382 P390 V441 D443 | L353-I453 WeakPolarHBondContact CD1-O 3.15Å; L379-I453 HydrophobicContact CB-CG2 4.45Å; L379-I453 HydrophobicContact CD1-CD1 4.48Å; L379-I453 HydrophobicContact CD2-CG2 4.38Å; K380-I453 HydrophobicContact CB-CG2 4.13Å; M382-I453 HydrophobicContact CG-CG1 3.99Å; P390-I453 HydrophobicContact CB-CD1 4.17Å; V441-I453 HydrophobicContact CB-CB 4.42Å; V441-I453 HydrophobicContact CG1-CB 4.29Å; V441-I453 HydrophobicContact CG1-CD1 4.21Å; V441-I453 PolarHBondContact O-N 3.28Å; D443-I453 HydrophobicContact CB-CD1 4.2Å; D443-I453 HydrophobicContact CB-CG1 4.13Å |
| 454 | G | 93.3 | Very high | 87.4 | Confident | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.5 | 171.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V441 V488 | V441-G454 PolarHBondContact N-O 3.06Å; V441-G454 PolarHBondContact O-N 2.95Å; G454-V488 WeakPolarHBondContact CA-O 3.26Å |
| 455 | V | 94.3 | Very high | 87.2 | Confident | 12 Ų | 12 | 71.6 Ų | 71.6 | 7% | 0.073 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 156.3 | -177.5 | -57.3 | 0 | 0 | 0 | 0 | 112.7 | I439 A440 I452 V488 K490 | I439-V455 CarbonylContact O-C 3.57Å; I439-V455 VanDerWaalsContact O-CA 3.32Å; I439-V455 WeakPolarHBondContact O-CA 3.04Å; A440-V455 HydrophobicContact CB-CG1 3.86Å; I452-V455 HydrophobicContact CG2-CG1 4.04Å; V455-V488 HydrophobicContact CG2-CG2 4.08Å; V455-V488 PolarHBondContact N-O 2.82Å; V455-V488 WeakPolarHBondContact O-CG2 3.33Å; V455-V488 PolarHBondContact O-N 3.21Å; V455-K490 HydrophobicContact CG1-CB 4.01Å; V455-K490 HydrophobicContact CG1-CG 4.14Å; V455-K490 HydrophobicContact CG2-CB 4.26Å |
| 456 | C | 94.2 | Very high | 87.5 | Confident | 8 Ų | 8 | 69.6 Ų | 69.6 | 5% | 0.054 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 164.9 | 163.9 | 56.9 | 0 | 0 | 0 | 0 | 109.8 | I439 H485 L487 | I439-C456 PolarHBondContact N-O 2.8Å; I439-C456 PolarHBondContact O-N 3.32Å; I439-C456 VanDerWaalsContact O-O 3.12Å; C456-H485 HydrophobicContact CB-CB 4.1Å; C456-L487 HydrophobicContact CB-CD2 4.36Å |
| 457 | Q | 94.6 | Very high | 88.4 | Confident | 94 Ų | 94 | 66.2 Ų | 66.2 | 44% | 0.439 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 145 | -178.5 | -57.3 | -171.9 | 14.4 | 0 | 0 | 110.8 | L437 G466 | L437-Q457 WeakPolarHBondContact O-CA 3.19Å; Q457-G466 VanDerWaalsContact O-CA 3.31Å; Q457-G466 WeakPolarHBondContact O-CA 3.13Å |
| 458 | V | 96.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 138.8 | 173 | -69.9 | 0 | 0 | 0 | 0 | 110.2 | F358 L360 H436 L437 I439 G466 W470 | F358-V458 HydrophobicContact CE2-CG1 3.93Å; F358-V458 HydrophobicContact CE2-CG2 4.32Å; F358-V458 HydrophobicContact CZ-CG1 3.66Å; L360-V458 HydrophobicContact CD1-CB 4.21Å; L360-V458 HydrophobicContact CD1-CG1 4.35Å; L360-V458 HydrophobicContact CD1-CG2 4.03Å; L360-V458 HydrophobicContact CD2-CG2 4.39Å; H436-V458 CarbonylContact C-O 3.16Å; H436-V458 WeakPolarHBondContact CA-O 3.36Å; H436-V458 WeakPolarHBondContact CB-O 3.06Å; L437-V458 HydrophobicContact CB-CG2 3.76Å; L437-V458 HydrophobicContact CD1-CG2 4.19Å; L437-V458 HydrophobicContact CG-CG2 4.28Å; L437-V458 PolarHBondContact N-O 3.44Å; L437-V458 PolarHBondContact O-N 3.26Å; L437-V458 VanDerWaalsContact O-N 3.09Å; I439-V458 HydrophobicContact CD1-CG2 4.15Å; V458-G466 VanDerWaalsContact CA-O 3.3Å; V458-G466 WeakPolarHBondContact CA-O 3.24Å; V458-W470 HydrophobicContact CB-CE3 4.18Å; V458-W470 HydrophobicContact CG2-CE3 4.11Å; V458-W470 HydrophobicContact CG2-CZ3 4.34Å |
| 459 | G | 94.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153 | 170.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | E461 A462 G466 | G459-E461 PolarHBondContact O-N 2.93Å; G459-A462 WeakPolarHBondContact O-CB 3.49Å; G459-A462 PolarHBondContact O-N 3.43Å; G459-A462 VanDerWaalsContact O-N 3.11Å; G459-G466 PolarHBondContact N-O 2.92Å |
| 460 | N | 89.8 | Confident | 91.2 | Very high | 44 Ų | 44 | 52.9 Ų | 52.9 | 24% | 0.235 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -37 | -178.7 | -76.1 | -9.3 | 0 | 0 | 0 | 112.8 | D433 R467 W470 | D433-N460 VanDerWaalsContact CA-ND2 3.32Å; D433-N460 WeakPolarHBondContact CA-ND2 3.47Å; D433-N460 WeakPolarHBondContact CB-ND2 3.41Å; D433-N460 PolarHBondContact O-ND2 2.9Å; D433-N460 PolarHBondContact OD1-ND2 3.49Å; N460-R467 PolarHBondContact O-NE 3.34Å; N460-R467 VanDerWaalsContact O-NE 3.1Å; N460-R467 PolarHBondContact O-NH1 3.04Å; N460-R467 PolarHBondContact O-NH2 3.23Å; N460-W470 PolarHBondContact OD1-NE1 2.88Å |
| 461 | E | 85.1 | Confident | 91.6 | Very high | 156 Ų | 156 | 53 Ų | 53 | 73% | 0.729 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 9.6 | 179.6 | -64 | -49 | 145.1 | 0 | 0 | 116.2 | G459 R467 | G459-E461 PolarHBondContact O-N 2.93Å; E461-R467 IonicContact OE2-CZ 3.09Å; E461-R467 IonicContact OE2-NH1 2.67Å; E461-R467 IonicContact OE2-NH2 3.75Å; E461-R467 PolarHBondContact OE2-NH2 3.26Å; E461-R467 VanDerWaalsContact OE2-NH2 3.15Å |
| 462 | A | 85.8 | Confident | 92 | Very high | 6 Ų | 6 | 52.3 Ų | 52.3 | 5% | 0.05 | 25% | 0.251 | C | S | . | . | trans | -69.5 | 160 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G459 G466 R467 | G459-A462 WeakPolarHBondContact O-CB 3.49Å; G459-A462 PolarHBondContact O-N 3.43Å; G459-A462 VanDerWaalsContact O-N 3.11Å; A462-G466 VanDerWaalsContact CB-C 3.5Å; A462-R467 PolarHBondContact O-NE 3.32Å; A462-R467 PolarHBondContact O-NH2 3.13Å; A462-R467 VanDerWaalsContact O-NH2 3.17Å | ||
| 463 | E | 81.2 | Confident | 92.2 | Very high | 100 Ų | 100 | 48.8 Ų | 48.8 | 47% | 0.467 | 23% | 0.233 | S | C | . | . | trans | -80.4 | 139.2 | 170.2 | -68 | -177.1 | -155.3 | 0 | 0 | 111.1 | L465 G466 R491 | E463-L465 PolarHBondContact O-N 3.31Å; E463-G466 PolarHBondContact O-N 2.8Å; E463-G466 VanDerWaalsContact O-N 3.1Å; E463-R491 IonicContact OE1-CZ 3.52Å; E463-R491 IonicContact OE1-NH1 3.51Å; E463-R491 PolarHBondContact OE1-NH1 3.39Å; E463-R491 IonicContact OE1-NH2 2.68Å | ||
| 464 | R | 82.7 | Confident | 92.3 | Very high | 181 Ų | 181 | 51 Ų | 51 | 68% | 0.683 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | -131 | 165.6 | -62.8 | 169.6 | -85.1 | -173.5 | -5.3 | 111.7 | G466 R467 D468 | R464-G466 PolarHBondContact O-N 2.55Å; R464-R467 WeakPolarHBondContact O-CB 3.37Å; R464-R467 PolarHBondContact O-N 2.84Å; R464-D468 PolarHBondContact O-N 3.06Å |
| 465 | L | 89.3 | Confident | 92.5 | Very high | 98 Ų | 98 | 54.6 Ų | 54.6 | 51% | 0.513 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -48.3 | -27.3 | -179.9 | -61.2 | 174.5 | 0 | 0 | 0 | 114.5 | E463 R467 D468 H469 H485 | E463-L465 PolarHBondContact O-N 3.31Å; L465-R467 VanDerWaalsContact C-N 3.28Å; L465-R467 PolarHBondContact O-N 3Å; L465-D468 WeakPolarHBondContact CA-OD2 3.3Å; L465-D468 PolarHBondContact N-OD2 3.44Å; L465-D468 PolarHBondContact O-N 2.97Å; L465-H469 VanDerWaalsContact O-CB 3.3Å; L465-H469 WeakPolarHBondContact O-CB 3.44Å; L465-H469 PolarHBondContact O-N 2.66Å; L465-H485 PolarHBondContact O-NE2 3.18Å |
| 466 | G | 92.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63 | -34.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q457 V458 G459 A462 E463 R464 H485 | Q457-G466 VanDerWaalsContact O-CA 3.31Å; Q457-G466 WeakPolarHBondContact O-CA 3.13Å; V458-G466 VanDerWaalsContact CA-O 3.3Å; V458-G466 WeakPolarHBondContact CA-O 3.24Å; G459-G466 PolarHBondContact N-O 2.92Å; A462-G466 VanDerWaalsContact CB-C 3.5Å; E463-G466 PolarHBondContact O-N 2.8Å; E463-G466 VanDerWaalsContact O-N 3.1Å; R464-G466 PolarHBondContact O-N 2.55Å; G466-H485 WeakPolarHBondContact CA-NE2 3.45Å; G466-H485 PolarHBondContact N-NE2 3.05Å |
| 467 | R | 94.4 | Very high | 92.3 | Very high | 105 Ų | 105 | 62.3 Ų | 62.3 | 40% | 0.396 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -82.3 | -42.9 | 176.3 | -170.4 | -179.6 | -62.6 | -121.2 | -4.7 | 110.5 | N460 E461 A462 R464 L465 W470 S471 | N460-R467 PolarHBondContact O-NE 3.34Å; N460-R467 VanDerWaalsContact O-NE 3.1Å; N460-R467 PolarHBondContact O-NH1 3.04Å; N460-R467 PolarHBondContact O-NH2 3.23Å; E461-R467 IonicContact OE2-CZ 3.09Å; E461-R467 IonicContact OE2-NH1 2.67Å; E461-R467 IonicContact OE2-NH2 3.75Å; E461-R467 PolarHBondContact OE2-NH2 3.26Å; E461-R467 VanDerWaalsContact OE2-NH2 3.15Å; A462-R467 PolarHBondContact O-NE 3.32Å; A462-R467 PolarHBondContact O-NH2 3.13Å; A462-R467 VanDerWaalsContact O-NH2 3.17Å; R464-R467 WeakPolarHBondContact O-CB 3.37Å; R464-R467 PolarHBondContact O-N 2.84Å; L465-R467 VanDerWaalsContact C-N 3.28Å; L465-R467 PolarHBondContact O-N 3Å; R467-W470 WeakPolarHBondContact O-CB 3.39Å; R467-W470 PolarHBondContact O-N 3.3Å; R467-S471 PolarHBondContact O-N 2.85Å |
| 468 | D | 94.4 | Very high | 92.1 | Very high | 89 Ų | 89 | 67.3 Ų | 67.3 | 48% | 0.476 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63 | -46.1 | -177.7 | -51.4 | -38.8 | 0 | 0 | 0 | 111.8 | R464 L465 W470 S471 E472 | R464-D468 PolarHBondContact O-N 3.06Å; L465-D468 WeakPolarHBondContact CA-OD2 3.3Å; L465-D468 PolarHBondContact N-OD2 3.44Å; L465-D468 PolarHBondContact O-N 2.97Å; D468-W470 VanDerWaalsContact C-N 3.3Å; D468-W470 PolarHBondContact O-N 2.75Å; D468-S471 PolarHBondContact O-N 2.82Å; D468-E472 WeakPolarHBondContact O-CB 3.26Å; D468-E472 PolarHBondContact O-N 2.8Å |
| 469 | H | 96.8 | Very high | 92 | Very high | 2 Ų | 2 | 72.1 Ų | 72.1 | 1% | 0.009 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.4 | -35.8 | 175.7 | -175 | -177.6 | 0 | 0 | 0 | 112.2 | F358 L465 M473 I481 H483 H485 | F358-H469 AromaticContact CD2-CE1 3.73Å; F358-H469 AromaticContact CE2-CE1 3.46Å; F358-H469 VanDerWaalsContact CE2-CE1 3.46Å; F358-H469 WeakPolarHBondContact CE2-CE1 3.35Å; F358-H469 AromaticContact CE2-ND1 3.59Å; L465-H469 VanDerWaalsContact O-CB 3.3Å; L465-H469 WeakPolarHBondContact O-CB 3.44Å; L465-H469 PolarHBondContact O-N 2.66Å; H469-M473 WeakPolarHBondContact O-CB 3.39Å; H469-M473 PolarHBondContact O-N 2.8Å; H469-I481 PolarHBondContact NE2-O 2.93Å; H469-H483 AromaticContact CD2-CD2 3.6Å; H469-H483 AromaticContact CG-CD2 3.71Å; H469-H485 WeakPolarHBondContact CB-NE2 3.43Å; H469-H485 AromaticContact ND1-CD2 3.86Å; H469-H485 AromaticContact ND1-NE2 3.84Å |
| 470 | W | 96.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -69.9 | -43.8 | 176.3 | -168.4 | -99.1 | 0 | 0 | 0 | 111.6 | L360 L369 I432 I435 L437 V458 N460 R467 D468 M473 L474 | L360-W470 HydrophobicContact CD1-CE3 3.98Å; L369-W470 HydrophobicContact CD1-CH2 4.38Å; L369-W470 HydrophobicContact CD1-CZ3 4.37Å; L369-W470 HydrophobicContact CD2-CH2 3.7Å; L369-W470 HydrophobicContact CD2-CZ3 4.11Å; I432-W470 HydrophobicContact CD1-CH2 4.42Å; I432-W470 HydrophobicContact CD1-CZ2 3.92Å; I432-W470 HydrophobicContact CG1-CZ2 4.41Å; I435-W470 HydrophobicContact CD1-CH2 3.78Å; I435-W470 HydrophobicContact CD1-CZ2 3.97Å; I435-W470 HydrophobicContact CG1-CH2 4.23Å; I435-W470 HydrophobicContact CG1-CZ2 3.98Å; L437-W470 HydrophobicContact CD1-CZ3 4.27Å; L437-W470 HydrophobicContact CG-CZ3 4.14Å; V458-W470 HydrophobicContact CB-CE3 4.18Å; V458-W470 HydrophobicContact CG2-CE3 4.11Å; V458-W470 HydrophobicContact CG2-CZ3 4.34Å; N460-W470 PolarHBondContact OD1-NE1 2.88Å; R467-W470 WeakPolarHBondContact O-CB 3.39Å; R467-W470 PolarHBondContact O-N 3.3Å; D468-W470 VanDerWaalsContact C-N 3.3Å; D468-W470 PolarHBondContact O-N 2.75Å; W470-M473 HydrophobicContact CD2-CE 3.71Å; W470-M473 HydrophobicContact CE3-CE 3.75Å; W470-M473 HydrophobicContact CE3-SD 4.45Å; W470-M473 HydrophobicContact CG-CE 4.33Å; W470-M473 HydrophobicContact CH2-CE 4.1Å; W470-M473 HydrophobicContact CZ2-CE 4.05Å; W470-M473 HydrophobicContact CZ3-CE 3.95Å; W470-M473 HydrophobicContact CZ3-SD 4.49Å; W470-M473 WeakPolarHBondContact O-CB 3.43Å; W470-M473 PolarHBondContact O-N 3.46Å; W470-L474 WeakPolarHBondContact O-CG 3.48Å; W470-L474 PolarHBondContact O-N 2.81Å; W470-L474 VanDerWaalsContact O-N 3.1Å |
| 471 | S | 95.5 | Very high | 92.5 | Very high | 66 Ų | 66 | 74.3 Ų | 74.3 | 46% | 0.462 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 175.5 | -171.3 | 0 | 0 | 0 | 0 | 112.2 | R467 D468 L474 S475 | R467-S471 PolarHBondContact O-N 2.85Å; D468-S471 PolarHBondContact O-N 2.82Å; S471-L474 PolarHBondContact O-N 3.41Å; S471-S475 WeakPolarHBondContact O-CB 3.18Å; S471-S475 PolarHBondContact O-N 2.76Å; S471-S475 PolarHBondContact O-OG 3.43Å |
| 472 | E | 96.1 | Very high | 93.1 | Very high | 58 Ų | 58 | 69 Ų | 69 | 27% | 0.271 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 175.6 | -166.8 | -174.4 | 172.4 | 0 | 0 | 111.8 | D468 L474 S475 Y476 I481 H483 | D468-E472 WeakPolarHBondContact O-CB 3.26Å; D468-E472 PolarHBondContact O-N 2.8Å; E472-L474 VanDerWaalsContact C-N 3.33Å; E472-L474 PolarHBondContact O-N 3.5Å; E472-S475 PolarHBondContact O-N 2.8Å; E472-Y476 HydrophobicContact CG-CD2 3.74Å; E472-Y476 HydrophobicContact CG-CE2 3.87Å; E472-Y476 WeakPolarHBondContact O-CD2 3.2Å; E472-Y476 PolarHBondContact O-N 3.01Å; E472-I481 HydrophobicContact CB-CG2 4.17Å; E472-I481 HydrophobicContact CG-CD1 4.05Å; E472-I481 HydrophobicContact CG-CG1 4.03Å; E472-I481 HydrophobicContact CG-CG2 3.9Å; E472-I481 VanDerWaalsContact OE2-CG2 3.25Å; E472-I481 WeakPolarHBondContact OE2-CG2 3.05Å; E472-H483 IonicContact OE2-CD2 2.9Å; E472-H483 IonicContact OE2-CE1 3.84Å; E472-H483 IonicContact OE2-NE2 2.7Å; E472-H483 PolarHBondContact OE2-NE2 3.27Å |
| 473 | M | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.4 | -44.2 | 173.7 | 175.8 | -159.2 | 64.9 | 0 | 0 | 112 | L360 L369 H469 W470 Y476 | L360-M473 HydrophobicContact CB-CB 4.05Å; L360-M473 HydrophobicContact CB-CG 3.88Å; L360-M473 HydrophobicContact CB-SD 3.65Å; L360-M473 HydrophobicContact CD1-SD 4.29Å; L360-M473 HydrophobicContact CG-SD 4.46Å; L369-M473 HydrophobicContact CD1-CE 4.13Å; L369-M473 HydrophobicContact CD1-SD 3.45Å; L369-M473 WeakPolarHBondContact CD1-SD 3.28Å; H469-M473 WeakPolarHBondContact O-CB 3.39Å; H469-M473 PolarHBondContact O-N 2.8Å; W470-M473 HydrophobicContact CD2-CE 3.71Å; W470-M473 HydrophobicContact CE3-CE 3.75Å; W470-M473 HydrophobicContact CE3-SD 4.45Å; W470-M473 HydrophobicContact CG-CE 4.33Å; W470-M473 HydrophobicContact CH2-CE 4.1Å; W470-M473 HydrophobicContact CZ2-CE 4.05Å; W470-M473 HydrophobicContact CZ3-CE 3.95Å; W470-M473 HydrophobicContact CZ3-SD 4.49Å; W470-M473 WeakPolarHBondContact O-CB 3.43Å; W470-M473 PolarHBondContact O-N 3.46Å; M473-Y476 CarbonylContact O-C 3.56Å |
| 474 | L | 95.1 | Very high | 94.2 | Very high | 50 Ų | 50 | 70.4 Ų | 70.4 | 26% | 0.262 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -70.9 | -33.9 | 178.4 | -65.4 | 175.3 | 0 | 0 | 0 | 112.1 | Y362 I432 W470 S471 E472 Y476 P477 | Y362-L474 HydrophobicContact CD1-CD2 4.06Å; I432-L474 HydrophobicContact CD1-CD2 4.41Å; I432-L474 HydrophobicContact CG1-CD2 3.66Å; W470-L474 WeakPolarHBondContact O-CG 3.48Å; W470-L474 PolarHBondContact O-N 2.81Å; W470-L474 VanDerWaalsContact O-N 3.1Å; S471-L474 PolarHBondContact O-N 3.41Å; E472-L474 VanDerWaalsContact C-N 3.33Å; E472-L474 PolarHBondContact O-N 3.5Å; L474-Y476 VanDerWaalsContact C-N 3.33Å; L474-Y476 PolarHBondContact O-N 3.3Å; L474-P477 WeakPolarHBondContact O-CD 3.33Å; L474-P477 WeakPolarHBondContact O-CG 3.28Å |
| 475 | S | 95.7 | Very high | 94.7 | Very high | 76 Ų | 76 | 62.4 Ų | 62.4 | 53% | 0.531 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -71.1 | -23.8 | 177.8 | -59.8 | 0 | 0 | 0 | 0 | 113.7 | S471 E472 | S471-S475 WeakPolarHBondContact O-CB 3.18Å; S471-S475 PolarHBondContact O-N 2.76Å; S471-S475 PolarHBondContact O-OG 3.43Å; E472-S475 PolarHBondContact O-N 2.8Å |
| 476 | Y | 94 | Very high | 94.8 | Very high | 126 Ų | 126 | 61.2 Ų | 61.2 | 49% | 0.494 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -124.6 | 68.6 | 177.1 | -59.3 | -72.8 | 0 | 0 | 0 | 113.1 | E472 M473 L474 K479 I481 | E472-Y476 HydrophobicContact CG-CD2 3.74Å; E472-Y476 HydrophobicContact CG-CE2 3.87Å; E472-Y476 WeakPolarHBondContact O-CD2 3.2Å; E472-Y476 PolarHBondContact O-N 3.01Å; M473-Y476 CarbonylContact O-C 3.56Å; L474-Y476 VanDerWaalsContact C-N 3.33Å; L474-Y476 PolarHBondContact O-N 3.3Å; Y476-K479 HydrophobicContact CG-CD 4.3Å; Y476-K479 WeakPolarHBondContact O-CB 3.24Å; Y476-K479 PolarHBondContact O-N 3.28Å; Y476-K479 VanDerWaalsContact O-N 3.09Å; Y476-I481 HydrophobicContact CD2-CD1 4.13Å |
| 477 | P | 90.9 | Very high | 94.8 | Very high | 57 Ų | 57 | 61.5 Ų | 61.5 | 37% | 0.37 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 141.5 | -178.7 | -24.8 | 34.6 | 0 | 0 | 0 | 113.5 | P364 L474 K479 | P364-P477 HydrophobicContact CG-CB 4.4Å; L474-P477 WeakPolarHBondContact O-CD 3.33Å; L474-P477 WeakPolarHBondContact O-CG 3.28Å; P477-K479 PolarHBondContact O-N 3.15Å |
| 478 | R | 91.6 | Very high | 94.5 | Very high | 199 Ų | 199 | 59.7 Ų | 59.7 | 75% | 0.751 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | -10.1 | -173.2 | -49 | 166.5 | -70.6 | -169.6 | -2.2 | 115.9 | C361 Y362 L363 | C361-R478 PolarHBondContact SG-O 2.8Å; Y362-R478 PolarHBondContact O-N 3.28Å; L363-R478 HydrophobicContact CG-CG 4.2Å |
| 479 | K | 94.3 | Very high | 94 | Very high | 101 Ų | 101 | 58.5 Ų | 58.5 | 44% | 0.439 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -87.3 | 127.5 | 173.9 | -175.3 | -172.3 | 166.9 | -155.3 | 0 | 109.5 | Y476 P477 I481 | Y476-K479 HydrophobicContact CG-CD 4.3Å; Y476-K479 WeakPolarHBondContact O-CB 3.24Å; Y476-K479 PolarHBondContact O-N 3.28Å; Y476-K479 VanDerWaalsContact O-N 3.09Å; P477-K479 PolarHBondContact O-N 3.15Å; K479-I481 HydrophobicContact CB-CD1 4.48Å; K479-I481 HydrophobicContact CD-CD1 3.65Å; K479-I481 HydrophobicContact CG-CD1 4Å; K479-I481 PolarHBondContact O-N 3.43Å |
| 480 | P | 96.6 | Very high | 93 | Very high | 85 Ų | 85 | 64.6 Ų | 64.6 | 55% | 0.552 | 33% | 0.332 | S | S | * | . | trans | -70.7 | 114.4 | 167.1 | 29 | -31.5 | 0 | 0 | 0 | 109.8 | L360 C361 | L360-P480 WeakPolarHBondContact O-CA 3.38Å; C361-P480 HydrophobicContact CB-CB 4.34Å | ||
| 481 | I | 97.7 | Very high | 91.1 | Very high | 4 Ų | 4 | 75.3 Ų | 75.3 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 139.5 | 169.1 | -55.8 | -52.5 | 0 | 0 | 0 | 107.5 | S359 L360 H469 E472 Y476 K479 | S359-I481 CarbonylContact C-O 3.55Å; S359-I481 WeakPolarHBondContact CA-O 3.18Å; S359-I481 WeakPolarHBondContact CB-O 3.27Å; L360-I481 PolarHBondContact N-O 2.84Å; L360-I481 PolarHBondContact O-N 3.2Å; H469-I481 PolarHBondContact NE2-O 2.93Å; E472-I481 HydrophobicContact CB-CG2 4.17Å; E472-I481 HydrophobicContact CG-CD1 4.05Å; E472-I481 HydrophobicContact CG-CG1 4.03Å; E472-I481 HydrophobicContact CG-CG2 3.9Å; E472-I481 VanDerWaalsContact OE2-CG2 3.25Å; E472-I481 WeakPolarHBondContact OE2-CG2 3.05Å; Y476-I481 HydrophobicContact CD2-CD1 4.13Å; K479-I481 HydrophobicContact CB-CD1 4.48Å; K479-I481 HydrophobicContact CD-CD1 3.65Å; K479-I481 HydrophobicContact CG-CD1 4Å; K479-I481 PolarHBondContact O-N 3.43Å |
| 482 | A | 97.3 | Very high | 90.9 | Very high | 46 Ų | 46 | 75.8 Ų | 75.8 | 38% | 0.38 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 124.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M357 I374 | M357-A482 HydrophobicContact CE-CB 4.22Å; I374-A482 HydrophobicContact CD1-CB 4.23Å |
| 483 | H | 94.7 | Very high | 90.6 | Very high | 69 Ų | 69 | 76.7 Ų | 76.7 | 32% | 0.319 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 161.9 | -177.3 | -77.1 | -71.5 | 0 | 0 | 0 | 112.2 | M357 F358 H469 E472 | M357-H483 WeakPolarHBondContact CA-O 3.46Å; F358-H483 PolarHBondContact N-O 3.25Å; F358-H483 PolarHBondContact O-N 2.66Å; H469-H483 AromaticContact CD2-CD2 3.6Å; H469-H483 AromaticContact CG-CD2 3.71Å; E472-H483 IonicContact OE2-CD2 2.9Å; E472-H483 IonicContact OE2-CE1 3.84Å; E472-H483 IonicContact OE2-NE2 2.7Å; E472-H483 PolarHBondContact OE2-NE2 3.27Å |
| 484 | W | 94.6 | Very high | 90.2 | Very high | 66 Ų | 66 | 80.9 Ų | 80.9 | 25% | 0.25 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 138.2 | 166.1 | -73 | 97.1 | 0 | 0 | 0 | 110 | E355 M357 K375 R377 | E355-W484 HydrophobicContact CB-CE3 3.8Å; E355-W484 HydrophobicContact CB-CZ3 4.24Å; M357-W484 HydrophobicContact CB-CD2 3.78Å; M357-W484 HydrophobicContact CB-CE3 3.68Å; M357-W484 HydrophobicContact CB-CG 4.49Å; M357-W484 HydrophobicContact CB-CH2 3.97Å; M357-W484 HydrophobicContact CB-CZ2 4.06Å; M357-W484 HydrophobicContact CB-CZ3 3.76Å; M357-W484 HydrophobicContact CG-CD2 4.15Å; M357-W484 HydrophobicContact CG-CG 4.49Å; M357-W484 HydrophobicContact CG-CZ2 4.44Å; M357-W484 HydrophobicContact SD-CZ2 4.07Å; K375-W484 HydrophobicContact CD-CH2 4.27Å; K375-W484 HydrophobicContact CG-CH2 3.97Å; R377-W484 HydrophobicContact CB-CH2 4.17Å; R377-W484 HydrophobicContact CB-CZ3 4.24Å; R377-W484 HydrophobicContact CG-CE3 4.42Å; R377-W484 HydrophobicContact CG-CH2 3.8Å; R377-W484 HydrophobicContact CG-CZ3 3.63Å |
| 485 | H | 93.9 | Very high | 89.9 | Confident | 13 Ų | 13 | 82.8 Ų | 82.8 | 6% | 0.06 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 121 | 173 | -70.4 | -101.7 | 0 | 0 | 0 | 109.3 | E355 L356 F358 C456 L465 G466 H469 | E355-H485 WeakPolarHBondContact CA-O 3.35Å; L356-H485 PolarHBondContact N-O 3.21Å; L356-H485 PolarHBondContact O-N 3.47Å; F358-H485 HydrophobicContact CE1-CB 3.95Å; F358-H485 AromaticContact CE1-CD2 3.38Å; F358-H485 WeakPolarHBondContact CE1-CD2 3.41Å; F358-H485 AromaticContact CE1-CG 3.67Å; F358-H485 AromaticContact CZ-CD2 3.37Å; F358-H485 WeakPolarHBondContact CZ-CD2 3.22Å; F358-H485 AromaticContact CZ-CG 3.8Å; C456-H485 HydrophobicContact CB-CB 4.1Å; L465-H485 PolarHBondContact O-NE2 3.18Å; G466-H485 WeakPolarHBondContact CA-NE2 3.45Å; G466-H485 PolarHBondContact N-NE2 3.05Å; H469-H485 WeakPolarHBondContact CB-NE2 3.43Å; H469-H485 AromaticContact ND1-CD2 3.86Å; H469-H485 AromaticContact ND1-NE2 3.84Å |
| 486 | S | 90.7 | Very high | 89.6 | Confident | 72 Ų | 72 | 83.2 Ų | 83.2 | 50% | 0.503 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 139.7 | 170.9 | -39.3 | 0 | 0 | 0 | 0 | 110 | E355 | E355-S486 PolarHBondContact OE1-OG 3.16Å |
| 487 | L | 92 | Very high | 89.3 | Confident | 8 Ų | 8 | 80.3 Ų | 80.3 | 4% | 0.042 | 39% | 0.387 | C | S | . | . | trans | -89.5 | 133.6 | -178.5 | -61.6 | 171.2 | 0 | 0 | 0 | 110.1 | L353 G354 L356 L379 V441 C456 | L353-L487 HydrophobicContact CB-CB 3.89Å; G354-L487 WeakPolarHBondContact O-CB 3.15Å; G354-L487 WeakPolarHBondContact O-CG 3.33Å; G354-L487 PolarHBondContact O-N 3.35Å; L356-L487 HydrophobicContact CB-CD2 4.12Å; L379-L487 HydrophobicContact CD2-CD1 3.57Å; V441-L487 HydrophobicContact CB-CD1 4Å; V441-L487 HydrophobicContact CG2-CD1 3.62Å; V441-L487 HydrophobicContact CG2-CD2 3.79Å; V441-L487 HydrophobicContact CG2-CG 4.38Å; C456-L487 HydrophobicContact CB-CD2 4.36Å | ||
| 488 | V | 88.4 | Confident | 89.2 | Confident | 66 Ų | 66 | 82 Ų | 82 | 40% | 0.4 | 39% | 0.388 | S | S | . | . | B | Isolated β-bridge | trans | -112.5 | 161.5 | 177.4 | -61.2 | 0 | 0 | 0 | 0 | 111.4 | L353 G454 V455 | L353-V488 WeakPolarHBondContact CD1-O 3.45Å; G454-V488 WeakPolarHBondContact CA-O 3.26Å; V455-V488 HydrophobicContact CG2-CG2 4.08Å; V455-V488 PolarHBondContact N-O 2.82Å; V455-V488 WeakPolarHBondContact O-CG2 3.33Å; V455-V488 PolarHBondContact O-N 3.21Å |
| 489 | E | 83.8 | Confident | 89 | Confident | 64 Ų | 64 | 73 Ų | 73 | 30% | 0.299 | 36% | 0.36 | S | S | . | . | trans | -66.2 | 148.1 | 174.6 | -69.6 | -155.5 | 154 | 0 | 0 | 110.8 | N348 L353 K380 R491 | N348-E489 WeakPolarHBondContact CB-OE2 3.48Å; N348-E489 VanDerWaalsContact ND2-CD 3.34Å; N348-E489 PolarHBondContact ND2-OE1 3.46Å; N348-E489 PolarHBondContact ND2-OE2 3.16Å; L353-E489 HydrophobicContact CD1-CB 4.46Å; L353-E489 HydrophobicContact CD1-CG 3.79Å; L353-E489 HydrophobicContact CD2-CG 4.42Å; K380-E489 IonicContact NZ-OE1 3.15Å; E489-R491 PolarHBondContact O-N 2.95Å | ||
| 490 | K | 75.8 | Confident | 88.6 | Confident | 130 Ų | 130 | 70.7 Ų | 70.7 | 57% | 0.565 | 35% | 0.353 | S | S | * | . | trans | -77.6 | 97.6 | -176.4 | -171.3 | -149.6 | 150.3 | -68.3 | 0 | 110.6 | I452 V455 | I452-K490 HydrophobicContact CD1-CB 4.42Å; I452-K490 HydrophobicContact CD1-CD 3.64Å; I452-K490 HydrophobicContact CD1-CG 4.49Å; V455-K490 HydrophobicContact CG1-CB 4.01Å; V455-K490 HydrophobicContact CG1-CG 4.14Å; V455-K490 HydrophobicContact CG2-CB 4.26Å | ||
| 491 | R | 57.2 | Low | 87.8 | Confident | 225 Ų | 225 | 69.4 Ų | 69.4 | 85% | 0.849 | 34% | 0.335 | S | S | * | . | trans | -49.7 | 0 | 162.3 | -60.3 | -178.1 | -176 | 153 | 3 | 112 | E463 E489 | E463-R491 IonicContact OE1-CZ 3.52Å; E463-R491 IonicContact OE1-NH1 3.51Å; E463-R491 PolarHBondContact OE1-NH1 3.39Å; E463-R491 IonicContact OE1-NH2 2.68Å; E489-R491 PolarHBondContact O-N 2.95Å |
Retrieved 491 of 491 residues in 321.9 ms
(Link to these results)