| 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 | 62.1 | Low | 88.4 | Confident | 207 Ų | 207 | 132.2 Ų | 132.2 | 100% | 1.02 | 64% | 0.638 | S | S | * | * | 0 | -28.8 | 0 | -134.3 | 73.8 | 174.3 | 0 | 0 | 113.7 | |||||
| 2 | T | 76.4 | Confident | 89.3 | Confident | 123 Ų | 123 | 136 Ų | 136 | 76% | 0.755 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -65.8 | -38.2 | -171.5 | 21.4 | 0 | 0 | 0 | 0 | 116.2 | K4 V5 F6 | T2-K4 PolarHBondContact O-N 2.67Å; T2-V5 PolarHBondContact O-N 3.25Å; T2-F6 PolarHBondContact O-N 3.01Å |
| 3 | R | 83.1 | Confident | 90 | Very high | 212 Ų | 212 | 138.5 Ų | 138.5 | 80% | 0.8 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -62.1 | -41.2 | -179.5 | -169.3 | 179 | -173.7 | 178.8 | 2.7 | 112.9 | V5 F6 T7 | R3-V5 VanDerWaalsContact C-N 3.34Å; R3-V5 PolarHBondContact O-N 3.21Å; R3-F6 PolarHBondContact O-N 3.32Å; R3-T7 PolarHBondContact O-N 3.49Å; R3-T7 PolarHBondContact O-OG1 3.4Å |
| 4 | K | 86.7 | Confident | 90.6 | Very high | 176 Ų | 176 | 137 Ų | 137 | 77% | 0.765 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.6 | -39.4 | 178.8 | -70.9 | -178.3 | 176.8 | 177.2 | 0 | 111.6 | T2 N8 | T2-K4 PolarHBondContact O-N 2.67Å; K4-N8 WeakPolarHBondContact O-CB 3.31Å; K4-N8 PolarHBondContact O-N 3.27Å |
| 5 | V | 91.2 | Very high | 91.1 | Very high | 91 Ų | 91 | 132.6 Ų | 132.6 | 55% | 0.552 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.8 | -49.2 | 177 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | T2 R3 T7 N8 T9 | T2-V5 PolarHBondContact O-N 3.25Å; R3-V5 VanDerWaalsContact C-N 3.34Å; R3-V5 PolarHBondContact O-N 3.21Å; V5-T7 PolarHBondContact O-N 3.15Å; V5-N8 PolarHBondContact O-N 3.21Å; V5-T9 PolarHBondContact O-N 3.04Å; V5-T9 PolarHBondContact O-OG1 3.41Å; V5-T9 VanDerWaalsContact O-OG1 3.09Å |
| 6 | F | 90.6 | Very high | 91.6 | Very high | 146 Ų | 146 | 131.3 Ų | 131.3 | 64% | 0.64 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -58.9 | -46.1 | 177.9 | -178 | -98.5 | 0 | 0 | 0 | 112.4 | T2 R3 N8 T9 R10 | T2-F6 PolarHBondContact O-N 3.01Å; R3-F6 PolarHBondContact O-N 3.32Å; F6-N8 PolarHBondContact O-N 3.29Å; F6-T9 PolarHBondContact O-N 3.48Å; F6-R10 PolarHBondContact O-N 2.88Å |
| 7 | T | 94 | Very high | 92 | Very high | 80 Ų | 80 | 127.4 Ų | 127.4 | 49% | 0.491 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.7 | -41.6 | 176.8 | -58 | 0 | 0 | 0 | 0 | 112.1 | R3 V5 R10 E11 | R3-T7 PolarHBondContact O-N 3.49Å; R3-T7 PolarHBondContact O-OG1 3.4Å; V5-T7 PolarHBondContact O-N 3.15Å; T7-R10 PolarHBondContact O-N 3.4Å; T7-E11 PolarHBondContact O-N 2.96Å |
| 8 | N | 96.4 | Very high | 92.3 | Very high | 95 Ų | 95 | 123.1 Ų | 123.1 | 51% | 0.508 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.3 | -45.4 | 178 | -169.7 | -74.2 | 0 | 0 | 0 | 111.8 | K4 V5 F6 R10 E11 R12 | K4-N8 WeakPolarHBondContact O-CB 3.31Å; K4-N8 PolarHBondContact O-N 3.27Å; V5-N8 PolarHBondContact O-N 3.21Å; F6-N8 PolarHBondContact O-N 3.29Å; N8-R10 VanDerWaalsContact C-N 3.31Å; N8-R10 PolarHBondContact O-N 3.01Å; N8-E11 PolarHBondContact O-N 2.95Å; N8-R12 WeakPolarHBondContact O-CB 3.35Å; N8-R12 PolarHBondContact O-N 2.87Å |
| 9 | T | 96.8 | Very high | 92.7 | Very high | 86 Ų | 86 | 120.4 Ų | 120.4 | 53% | 0.528 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -58.4 | -45.1 | 176.8 | -59.9 | 0 | 0 | 0 | 0 | 111.1 | V5 F6 R12 W13 | V5-T9 PolarHBondContact O-N 3.04Å; V5-T9 PolarHBondContact O-OG1 3.41Å; V5-T9 VanDerWaalsContact O-OG1 3.09Å; F6-T9 PolarHBondContact O-N 3.48Å; T9-R12 PolarHBondContact O-N 3.31Å; T9-W13 PolarHBondContact O-N 3.27Å |
| 10 | R | 97.6 | Very high | 92.9 | Very high | 166 Ų | 166 | 117.5 Ų | 117.5 | 63% | 0.626 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.3 | -45.1 | 177.4 | -178 | 174 | 172.3 | -91.4 | 2.3 | 112.3 | F6 T7 N8 R12 W13 R14 | F6-R10 PolarHBondContact O-N 2.88Å; T7-R10 PolarHBondContact O-N 3.4Å; N8-R10 VanDerWaalsContact C-N 3.31Å; N8-R10 PolarHBondContact O-N 3.01Å; R10-R12 VanDerWaalsContact C-N 3.34Å; R10-R12 PolarHBondContact O-N 3.32Å; R10-W13 PolarHBondContact O-N 2.93Å; R10-R14 PolarHBondContact O-N 2.94Å |
| 11 | E | 98 | Very high | 93.2 | Very high | 72 Ų | 72 | 114.8 Ų | 114.8 | 34% | 0.336 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.8 | -38.5 | 178.3 | 178.1 | 54.7 | -160.8 | 0 | 0 | 111.8 | T7 N8 W13 R14 Q15 | T7-E11 PolarHBondContact O-N 2.96Å; N8-E11 PolarHBondContact O-N 2.95Å; E11-W13 VanDerWaalsContact C-N 3.32Å; E11-W13 PolarHBondContact O-N 3.33Å; E11-R14 WeakPolarHBondContact O-CB 3.38Å; E11-R14 PolarHBondContact O-N 2.95Å; E11-R14 IonicContact OE1-CZ 2.66Å; E11-R14 IonicContact OE1-NE 3.45Å; E11-R14 PolarHBondContact OE1-NE 3.22Å; E11-R14 IonicContact OE1-NH2 2.76Å; E11-R14 PolarHBondContact OE1-NH2 3.07Å; E11-R14 IonicContact OE2-CZ 2.84Å; E11-R14 IonicContact OE2-NE 3.7Å; E11-R14 PolarHBondContact OE2-NE 3.35Å; E11-R14 IonicContact OE2-NH2 3.68Å; E11-Q15 HydrophobicContact CG-CG 4.48Å; E11-Q15 WeakPolarHBondContact O-CG 3.47Å; E11-Q15 PolarHBondContact O-N 2.95Å; E11-Q15 WeakPolarHBondContact OE1-CG 3.34Å; E11-Q15 PolarHBondContact OE1-NE2 2.91Å |
| 12 | R | 98.4 | Very high | 94.9 | Very high | 178 Ų | 178 | 107 Ų | 107 | 67% | 0.672 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.5 | -43.5 | 173.5 | -174.7 | -176.5 | -63.6 | -109.4 | -0.3 | 111.6 | N8 T9 R10 Q15 H16 | N8-R12 WeakPolarHBondContact O-CB 3.35Å; N8-R12 PolarHBondContact O-N 2.87Å; T9-R12 PolarHBondContact O-N 3.31Å; R10-R12 VanDerWaalsContact C-N 3.34Å; R10-R12 PolarHBondContact O-N 3.32Å; R12-Q15 PolarHBondContact O-N 2.84Å; R12-H16 WeakPolarHBondContact O-CB 3.43Å; R12-H16 PolarHBondContact O-N 2.98Å |
| 13 | W | 98.3 | Very high | 96 | Very high | 169 Ų | 169 | 103.4 Ų | 103.4 | 64% | 0.64 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.4 | -42.2 | 176.4 | -172.5 | 80.6 | 0 | 0 | 0 | 111.9 | T9 R10 E11 Q15 H16 N17 | T9-W13 PolarHBondContact O-N 3.27Å; R10-W13 PolarHBondContact O-N 2.93Å; E11-W13 VanDerWaalsContact C-N 3.32Å; E11-W13 PolarHBondContact O-N 3.33Å; W13-Q15 VanDerWaalsContact C-N 3.34Å; W13-Q15 PolarHBondContact O-N 2.99Å; W13-H16 WeakPolarHBondContact O-CB 3.28Å; W13-H16 PolarHBondContact O-N 3.18Å; W13-N17 WeakPolarHBondContact CH2-ND2 3.4Å; W13-N17 WeakPolarHBondContact CZ2-ND2 3.39Å; W13-N17 WeakPolarHBondContact CZ3-ND2 3.48Å; W13-N17 PolarHBondContact O-N 3.47Å |
| 14 | R | 98.5 | Very high | 96.7 | Very high | 117 Ų | 117 | 97.9 Ų | 97.9 | 44% | 0.442 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 174.6 | -164.1 | -168.1 | 70.3 | 80.2 | -2 | 112 | R10 E11 N17 V18 | R10-R14 PolarHBondContact O-N 2.94Å; E11-R14 WeakPolarHBondContact O-CB 3.38Å; E11-R14 PolarHBondContact O-N 2.95Å; E11-R14 IonicContact OE1-CZ 2.66Å; E11-R14 IonicContact OE1-NE 3.45Å; E11-R14 PolarHBondContact OE1-NE 3.22Å; E11-R14 IonicContact OE1-NH2 2.76Å; E11-R14 PolarHBondContact OE1-NH2 3.07Å; E11-R14 IonicContact OE2-CZ 2.84Å; E11-R14 IonicContact OE2-NE 3.7Å; E11-R14 PolarHBondContact OE2-NE 3.35Å; E11-R14 IonicContact OE2-NH2 3.68Å; R14-N17 PolarHBondContact O-N 3.19Å; R14-V18 PolarHBondContact O-N 3.46Å |
| 15 | Q | 98.6 | Very high | 97.3 | Very high | 71 Ų | 71 | 92.2 Ų | 92.2 | 33% | 0.332 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.1 | -36.1 | 177.2 | -68.6 | -70.1 | -14.6 | 0 | 0 | 112.4 | E11 R12 W13 V18 N19 | E11-Q15 HydrophobicContact CG-CG 4.48Å; E11-Q15 WeakPolarHBondContact O-CG 3.47Å; E11-Q15 PolarHBondContact O-N 2.95Å; E11-Q15 WeakPolarHBondContact OE1-CG 3.34Å; E11-Q15 PolarHBondContact OE1-NE2 2.91Å; R12-Q15 PolarHBondContact O-N 2.84Å; W13-Q15 VanDerWaalsContact C-N 3.34Å; W13-Q15 PolarHBondContact O-N 2.99Å; Q15-V18 PolarHBondContact O-N 3.39Å; Q15-N19 WeakPolarHBondContact O-CB 3.48Å; Q15-N19 PolarHBondContact O-N 3.05Å; Q15-N19 PolarHBondContact O-ND2 3.12Å |
| 16 | H | 98.5 | Very high | 97.6 | Very high | 111 Ų | 111 | 89.8 Ų | 89.8 | 51% | 0.514 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.5 | -49 | 173.9 | 178.7 | 74.3 | 0 | 0 | 0 | 110.8 | R12 W13 V18 N19 T20 | R12-H16 WeakPolarHBondContact O-CB 3.43Å; R12-H16 PolarHBondContact O-N 2.98Å; W13-H16 WeakPolarHBondContact O-CB 3.28Å; W13-H16 PolarHBondContact O-N 3.18Å; H16-V18 VanDerWaalsContact C-N 3.32Å; H16-V18 PolarHBondContact O-N 3.39Å; H16-N19 PolarHBondContact O-N 3.33Å; H16-N19 VanDerWaalsContact O-N 3.09Å; H16-T20 PolarHBondContact O-N 3.45Å; H16-T20 PolarHBondContact O-OG1 3.14Å; H16-T20 VanDerWaalsContact O-OG1 3.1Å |
| 17 | N | 98.6 | Very high | 97.9 | Very high | 66 Ų | 66 | 89.5 Ų | 89.5 | 35% | 0.353 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.4 | -42.6 | 177.6 | -66.2 | -8.9 | 0 | 0 | 0 | 112.4 | W13 R14 T20 A21 | W13-N17 WeakPolarHBondContact CH2-ND2 3.4Å; W13-N17 WeakPolarHBondContact CZ2-ND2 3.39Å; W13-N17 WeakPolarHBondContact CZ3-ND2 3.48Å; W13-N17 PolarHBondContact O-N 3.47Å; R14-N17 PolarHBondContact O-N 3.19Å; N17-T20 PolarHBondContact O-N 3.35Å; N17-A21 PolarHBondContact O-N 3.12Å |
| 18 | V | 98.5 | Very high | 98.1 | Very high | 50 Ų | 50 | 91.6 Ų | 91.6 | 30% | 0.303 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 175.4 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | R14 Q15 H16 T20 A21 F22 | R14-V18 PolarHBondContact O-N 3.46Å; Q15-V18 PolarHBondContact O-N 3.39Å; H16-V18 VanDerWaalsContact C-N 3.32Å; H16-V18 PolarHBondContact O-N 3.39Å; V18-T20 VanDerWaalsContact C-N 3.33Å; V18-T20 PolarHBondContact O-N 3.24Å; V18-A21 PolarHBondContact O-N 3.35Å; V18-F22 HydrophobicContact CG1-CD2 3.99Å; V18-F22 HydrophobicContact CG1-CE2 4.12Å; V18-F22 WeakPolarHBondContact O-CD2 3.31Å; V18-F22 PolarHBondContact O-N 3.33Å |
| 19 | N | 98.3 | Very high | 98.2 | Very high | 72 Ų | 72 | 87.4 Ų | 87.4 | 39% | 0.385 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.7 | -36.9 | 179.6 | -68.5 | -28 | 0 | 0 | 0 | 112 | Q15 H16 F22 A23 K40 | Q15-N19 WeakPolarHBondContact O-CB 3.48Å; Q15-N19 PolarHBondContact O-N 3.05Å; Q15-N19 PolarHBondContact O-ND2 3.12Å; H16-N19 PolarHBondContact O-N 3.33Å; H16-N19 VanDerWaalsContact O-N 3.09Å; N19-F22 WeakPolarHBondContact O-CB 3.38Å; N19-F22 PolarHBondContact O-N 2.81Å; N19-A23 PolarHBondContact O-N 2.75Å; N19-K40 WeakPolarHBondContact OD1-CE 3.17Å; N19-K40 PolarHBondContact OD1-NZ 3.35Å |
| 20 | T | 98.6 | Very high | 98.2 | Very high | 61 Ų | 61 | 86.9 Ų | 86.9 | 37% | 0.374 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 173.4 | -58.1 | 0 | 0 | 0 | 0 | 111 | H16 N17 V18 F22 A23 E24 | H16-T20 PolarHBondContact O-N 3.45Å; H16-T20 PolarHBondContact O-OG1 3.14Å; H16-T20 VanDerWaalsContact O-OG1 3.1Å; N17-T20 PolarHBondContact O-N 3.35Å; V18-T20 VanDerWaalsContact C-N 3.33Å; V18-T20 PolarHBondContact O-N 3.24Å; T20-F22 VanDerWaalsContact C-N 3.32Å; T20-F22 PolarHBondContact O-N 2.74Å; T20-A23 WeakPolarHBondContact O-CB 3.4Å; T20-A23 PolarHBondContact O-N 2.86Å; T20-E24 PolarHBondContact O-N 2.99Å |
| 21 | A | 98.5 | Very high | 98.1 | Very high | 61 Ų | 61 | 80.7 Ų | 80.7 | 50% | 0.504 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.2 | -38.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N17 V18 A23 E24 L25 | N17-A21 PolarHBondContact O-N 3.12Å; V18-A21 PolarHBondContact O-N 3.35Å; A21-A23 VanDerWaalsContact C-N 3.32Å; A21-A23 PolarHBondContact O-N 3.06Å; A21-E24 PolarHBondContact O-N 2.95Å; A21-L25 WeakPolarHBondContact O-CB 3.46Å; A21-L25 PolarHBondContact O-N 3.23Å |
| 22 | F | 98.6 | Very high | 97.9 | Very high | 43 Ų | 43 | 85.9 Ų | 85.9 | 19% | 0.189 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.4 | -37.4 | 172.6 | -97.8 | -85.2 | 0 | 0 | 0 | 112.6 | V18 N19 T20 R26 K40 I43 L44 | V18-F22 HydrophobicContact CG1-CD2 3.99Å; V18-F22 HydrophobicContact CG1-CE2 4.12Å; V18-F22 WeakPolarHBondContact O-CD2 3.31Å; V18-F22 PolarHBondContact O-N 3.33Å; N19-F22 WeakPolarHBondContact O-CB 3.38Å; N19-F22 PolarHBondContact O-N 2.81Å; T20-F22 VanDerWaalsContact C-N 3.32Å; T20-F22 PolarHBondContact O-N 2.74Å; F22-R26 WeakPolarHBondContact O-CB 3.47Å; F22-R26 PolarHBondContact O-N 3.28Å; F22-K40 HydrophobicContact CD1-CB 4.21Å; F22-K40 HydrophobicContact CD1-CG 4.01Å; F22-K40 HydrophobicContact CE1-CB 3.67Å; F22-K40 HydrophobicContact CE1-CG 3.91Å; F22-K40 HydrophobicContact CE2-CD 4.41Å; F22-K40 HydrophobicContact CG-CG 4.43Å; F22-K40 HydrophobicContact CZ-CB 4.05Å; F22-K40 HydrophobicContact CZ-CD 4.35Å; F22-K40 HydrophobicContact CZ-CG 4.24Å; F22-I43 HydrophobicContact CD1-CB 4.25Å; F22-I43 HydrophobicContact CD1-CD1 4.03Å; F22-I43 HydrophobicContact CD1-CG2 3.9Å; F22-I43 HydrophobicContact CE1-CB 4.36Å; F22-I43 HydrophobicContact CE1-CG2 4.17Å; F22-L44 HydrophobicContact CE1-CD2 4.14Å; F22-L44 HydrophobicContact CE1-CG 4.08Å; F22-L44 HydrophobicContact CZ-CD1 4.32Å; F22-L44 HydrophobicContact CZ-CD2 4.08Å; F22-L44 HydrophobicContact CZ-CG 4.19Å |
| 23 | A | 98 | Very high | 97.7 | Very high | 49 Ų | 49 | 80 Ų | 80 | 41% | 0.405 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -68.2 | -41.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N19 T20 A21 R26 K27 | N19-A23 PolarHBondContact O-N 2.75Å; T20-A23 WeakPolarHBondContact O-CB 3.4Å; T20-A23 PolarHBondContact O-N 2.86Å; A21-A23 VanDerWaalsContact C-N 3.32Å; A21-A23 PolarHBondContact O-N 3.06Å; A23-R26 WeakPolarHBondContact O-CB 3.34Å; A23-R26 PolarHBondContact O-N 2.66Å; A23-K27 PolarHBondContact O-N 3.39Å |
| 24 | E | 98.4 | Very high | 97.4 | Very high | 95 Ų | 95 | 76.3 Ų | 76.3 | 44% | 0.444 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 174 | -64.9 | -49.7 | 133.3 | 0 | 0 | 111.6 | T20 A21 R26 K27 | T20-E24 PolarHBondContact O-N 2.99Å; A21-E24 PolarHBondContact O-N 2.95Å; E24-R26 VanDerWaalsContact C-N 3.27Å; E24-R26 PolarHBondContact O-N 3.14Å; E24-K27 WeakPolarHBondContact O-CB 3.41Å; E24-K27 PolarHBondContact O-N 3.31Å; E24-K27 VanDerWaalsContact O-N 3.14Å; E24-K27 IonicContact OE1-NZ 3.31Å; E24-K27 PolarHBondContact OE1-NZ 2.97Å; E24-K27 IonicContact OE2-NZ 2.82Å; E24-K27 PolarHBondContact OE2-NZ 3.47Å |
| 25 | L | 98.4 | Very high | 97.1 | Very high | 57 Ų | 57 | 77.4 Ų | 77.4 | 30% | 0.298 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.2 | -39.1 | 175.4 | -179 | 58.5 | 0 | 0 | 0 | 111.9 | A21 K27 L28 I43 A47 | A21-L25 WeakPolarHBondContact O-CB 3.46Å; A21-L25 PolarHBondContact O-N 3.23Å; L25-K27 VanDerWaalsContact C-N 3.29Å; L25-K27 PolarHBondContact O-N 3.45Å; L25-L28 PolarHBondContact O-N 3.31Å; L25-I43 HydrophobicContact CB-CG2 4.37Å; L25-I43 HydrophobicContact CD2-CG2 3.66Å; L25-I43 HydrophobicContact CG-CG2 3.85Å; L25-A47 HydrophobicContact CD1-CB 4.06Å; L25-A47 HydrophobicContact CD2-CB 4.26Å; L25-A47 HydrophobicContact CG-CB 4.43Å |
| 26 | R | 98.1 | Very high | 96.9 | Very high | 41 Ų | 41 | 78.5 Ų | 78.5 | 16% | 0.155 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59.7 | -36.9 | 177.7 | 171.8 | 60.8 | -172.5 | 85.6 | -0.7 | 112.5 | F22 A23 E24 L28 I29 T31 P34 K36 L38 I43 | F22-R26 WeakPolarHBondContact O-CB 3.47Å; F22-R26 PolarHBondContact O-N 3.28Å; A23-R26 WeakPolarHBondContact O-CB 3.34Å; A23-R26 PolarHBondContact O-N 2.66Å; E24-R26 VanDerWaalsContact C-N 3.27Å; E24-R26 PolarHBondContact O-N 3.14Å; R26-L28 PolarHBondContact O-N 3.3Å; R26-I29 PolarHBondContact NH1-O 3.2Å; R26-I29 PolarHBondContact O-N 2.81Å; R26-T31 PolarHBondContact NH2-OG1 3.24Å; R26-P34 PolarHBondContact NH2-O 2.78Å; R26-K36 PolarHBondContact NE-O 3.44Å; R26-K36 PolarHBondContact NH2-O 3.21Å; R26-L38 VanDerWaalsContact CD-CD1 3.49Å; R26-I43 HydrophobicContact CB-CD1 4.1Å; R26-I43 HydrophobicContact CB-CG1 4.48Å |
| 27 | K | 97.6 | Very high | 96.8 | Very high | 140 Ų | 140 | 82.6 Ų | 82.6 | 61% | 0.609 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -64.3 | -28 | 179.9 | -64.8 | 173.1 | -167.9 | 167.8 | 0 | 112.5 | A23 E24 L25 | A23-K27 PolarHBondContact O-N 3.39Å; E24-K27 WeakPolarHBondContact O-CB 3.41Å; E24-K27 PolarHBondContact O-N 3.31Å; E24-K27 VanDerWaalsContact O-N 3.14Å; E24-K27 IonicContact OE1-NZ 3.31Å; E24-K27 PolarHBondContact OE1-NZ 2.97Å; E24-K27 IonicContact OE2-NZ 2.82Å; E24-K27 PolarHBondContact OE2-NZ 3.47Å; L25-K27 VanDerWaalsContact C-N 3.29Å; L25-K27 PolarHBondContact O-N 3.45Å |
| 28 | L | 97.9 | Very high | 96.7 | Very high | 123 Ų | 123 | 80.7 Ų | 80.7 | 64% | 0.644 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -12.3 | -179.7 | -57.3 | 177.2 | 0 | 0 | 0 | 113.3 | L25 R26 P30 Y50 | L25-L28 PolarHBondContact O-N 3.31Å; R26-L28 PolarHBondContact O-N 3.3Å; L28-P30 WeakPolarHBondContact O-CD 3.47Å; L28-Y50 WeakPolarHBondContact O-CE1 3.16Å |
| 29 | I | 97.7 | Very high | 96.7 | Very high | 7 Ų | 7 | 81 Ų | 81 | 4% | 0.036 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -88.5 | 118.8 | -177.6 | -65.4 | 170.9 | 0 | 0 | 0 | 109.6 | R26 T31 L38 I43 L46 A47 | R26-I29 PolarHBondContact NH1-O 3.2Å; R26-I29 PolarHBondContact O-N 2.81Å; I29-T31 HydrophobicContact CG2-CG2 4.15Å; I29-T31 PolarHBondContact O-N 3.35Å; I29-L38 HydrophobicContact CG2-CD1 4.26Å; I29-I43 HydrophobicContact CD1-CB 4.19Å; I29-I43 HydrophobicContact CD1-CG1 4.47Å; I29-I43 HydrophobicContact CD1-CG2 3.76Å; I29-I43 VanDerWaalsContact CD1-O 3.27Å; I29-I43 WeakPolarHBondContact CD1-O 3.3Å; I29-L46 HydrophobicContact CD1-CB 4.1Å; I29-L46 HydrophobicContact CG2-CB 3.64Å; I29-L46 HydrophobicContact CG2-CD1 4.15Å; I29-L46 HydrophobicContact CG2-CD2 4.49Å; I29-L46 HydrophobicContact CG2-CG 4.3Å; I29-A47 HydrophobicContact CD1-CB 4.28Å |
| 30 | P | 97.2 | Very high | 96.7 | Very high | 76 Ų | 76 | 82.5 Ų | 82.5 | 49% | 0.494 | 43% | 0.431 | S | S | . | . | trans | -68 | 127.3 | 175.7 | -17.8 | 31.6 | 0 | 0 | 0 | 111.6 | L28 Y50 | L28-P30 WeakPolarHBondContact O-CD 3.47Å; P30-Y50 HydrophobicContact CG-CD1 4.35Å; P30-Y50 HydrophobicContact CG-CD2 3.87Å; P30-Y50 HydrophobicContact CG-CE1 3.98Å; P30-Y50 HydrophobicContact CG-CE2 3.48Å; P30-Y50 VanDerWaalsContact CG-CE2 3.48Å; P30-Y50 HydrophobicContact CG-CG 4.3Å | ||
| 31 | T | 96.6 | Very high | 96.7 | Very high | 36 Ų | 36 | 83.2 Ų | 83.2 | 22% | 0.221 | 43% | 0.433 | C | S | . | . | trans | -142.2 | 155.3 | 174.3 | 61.5 | 0 | 0 | 0 | 0 | 111.6 | R26 I29 P33 P34 L38 | R26-T31 PolarHBondContact NH2-OG1 3.24Å; I29-T31 HydrophobicContact CG2-CG2 4.15Å; I29-T31 PolarHBondContact O-N 3.35Å; T31-P33 CarbonylContact C-O 3.52Å; T31-P33 CarbonylContact O-C 3.4Å; T31-P33 PolarHBondContact OG1-O 3.23Å; T31-P34 PolarHBondContact OG1-O 3.42Å; T31-L38 HydrophobicContact CG2-CD1 4.02Å | ||
| 32 | H | 93.6 | Very high | 96.6 | Very high | 180 Ų | 180 | 83.9 Ų | 83.9 | 83% | 0.833 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -119.2 | 122.4 | 166.6 | -171.1 | 72 | 0 | 0 | 0 | 109.6 | ||
| 33 | P | 94.5 | Very high | 96.6 | Very high | 55 Ų | 55 | 82.4 Ų | 82.4 | 36% | 0.357 | 42% | 0.42 | S | S | . | . | S | Bend | cis | -69.2 | 162.6 | -9.9 | 33.4 | -37.6 | 0 | 0 | 0 | 112.3 | T31 E35 K36 | T31-P33 CarbonylContact C-O 3.52Å; T31-P33 CarbonylContact O-C 3.4Å; T31-P33 PolarHBondContact OG1-O 3.23Å; P33-E35 WeakPolarHBondContact CB-OE1 3.34Å; P33-E35 PolarHBondContact O-N 2.72Å; P33-K36 WeakPolarHBondContact O-CB 3.17Å; P33-K36 PolarHBondContact O-N 2.95Å; P33-K36 VanDerWaalsContact O-N 3.15Å |
| 34 | P | 90.9 | Very high | 96.6 | Very high | 91 Ų | 91 | 84 Ų | 84 | 59% | 0.591 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -28.4 | -176.9 | 21.9 | -29.9 | 0 | 0 | 0 | 113.1 | R26 T31 K36 | R26-P34 PolarHBondContact NH2-O 2.78Å; T31-P34 PolarHBondContact OG1-O 3.42Å; P34-K36 VanDerWaalsContact C-N 3.3Å; P34-K36 PolarHBondContact O-N 3.49Å |
| 35 | E | 91.3 | Very high | 96.5 | Very high | 141 Ų | 141 | 86.5 Ų | 86.5 | 66% | 0.659 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | 6.2 | 178.3 | 68.3 | -80.8 | -176.8 | 0 | 0 | 114.5 | P33 K37 | P33-E35 WeakPolarHBondContact CB-OE1 3.34Å; P33-E35 PolarHBondContact O-N 2.72Å; E35-K37 PolarHBondContact O-N 3.31Å; E35-K37 VanDerWaalsContact O-N 3.11Å |
| 36 | K | 95.6 | Very high | 96.4 | Very high | 94 Ų | 94 | 85.6 Ų | 85.6 | 41% | 0.409 | 42% | 0.421 | S | S | . | . | trans | -52.5 | 120.6 | 177.8 | 179.9 | -177.8 | 168.9 | 76.9 | 0 | 110.7 | R26 P33 P34 L38 | R26-K36 PolarHBondContact NE-O 3.44Å; R26-K36 PolarHBondContact NH2-O 3.21Å; P33-K36 WeakPolarHBondContact O-CB 3.17Å; P33-K36 PolarHBondContact O-N 2.95Å; P33-K36 VanDerWaalsContact O-N 3.15Å; P34-K36 VanDerWaalsContact C-N 3.3Å; P34-K36 PolarHBondContact O-N 3.49Å; K36-L38 HydrophobicContact CD-CD2 3.85Å; K36-L38 HydrophobicContact CG-CD2 4.01Å; K36-L38 PolarHBondContact O-N 3.26Å | ||
| 37 | K | 96.4 | Very high | 96.3 | Very high | 196 Ų | 196 | 84.3 Ų | 84.3 | 85% | 0.852 | 42% | 0.419 | S | S | * | . | trans | -69 | 123.7 | 173.5 | -65.4 | -174.7 | 178.8 | 177.5 | 0 | 109.2 | E35 | E35-K37 PolarHBondContact O-N 3.31Å; E35-K37 VanDerWaalsContact O-N 3.11Å | ||
| 38 | L | 96.6 | Very high | 96.2 | Very high | 26 Ų | 26 | 81.8 Ų | 81.8 | 14% | 0.136 | 41% | 0.411 | C | S | . | . | trans | -112.5 | 139.8 | 177.6 | -61.6 | -176.7 | 0 | 0 | 0 | 109.7 | R26 I29 T31 K36 E42 I43 L46 | R26-L38 VanDerWaalsContact CD-CD1 3.49Å; I29-L38 HydrophobicContact CG2-CD1 4.26Å; T31-L38 HydrophobicContact CG2-CD1 4.02Å; K36-L38 HydrophobicContact CD-CD2 3.85Å; K36-L38 HydrophobicContact CG-CD2 4.01Å; K36-L38 PolarHBondContact O-N 3.26Å; L38-E42 HydrophobicContact CB-CB 4.32Å; L38-E42 HydrophobicContact CD2-CB 4.49Å; L38-I43 HydrophobicContact CB-CD1 4.29Å; L38-I43 HydrophobicContact CB-CG1 3.69Å; L38-I43 HydrophobicContact CD1-CG1 4.17Å; L38-L46 HydrophobicContact CD1-CD1 3.56Å; L38-L46 HydrophobicContact CD2-CD1 4.07Å; L38-L46 HydrophobicContact CG-CD1 4.47Å | ||
| 39 | S | 98.1 | Very high | 95.9 | Very high | 57 Ų | 57 | 83.4 Ų | 83.4 | 40% | 0.399 | 41% | 0.409 | S | S | . | . | trans | -69 | 160.5 | 168.1 | 67.7 | 0 | 0 | 0 | 0 | 111.3 | N41 E42 I43 | S39-N41 PolarHBondContact O-N 3.42Å; S39-E42 VanDerWaalsContact CB-OE2 3.26Å; S39-E42 WeakPolarHBondContact CB-OE2 3.27Å; S39-E42 PolarHBondContact N-OE2 2.89Å; S39-E42 PolarHBondContact O-N 3.15Å; S39-E42 WeakPolarHBondContact OG-CB 3.46Å; S39-E42 VanDerWaalsContact OG-CG 3.25Å; S39-E42 WeakPolarHBondContact OG-CG 3.32Å; S39-E42 PolarHBondContact OG-N 3.26Å; S39-E42 PolarHBondContact OG-OE2 3.26Å; S39-I43 WeakPolarHBondContact O-CG1 3.45Å; S39-I43 PolarHBondContact O-N 2.89Å | ||
| 40 | K | 97.9 | Very high | 95.9 | Very high | 103 Ų | 103 | 86.9 Ų | 86.9 | 45% | 0.448 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -54.5 | -41.3 | 175.8 | -69.4 | -174.5 | 175.9 | -174.8 | 0 | 112 | N19 F22 I43 L44 | N19-K40 WeakPolarHBondContact OD1-CE 3.17Å; N19-K40 PolarHBondContact OD1-NZ 3.35Å; F22-K40 HydrophobicContact CD1-CB 4.21Å; F22-K40 HydrophobicContact CD1-CG 4.01Å; F22-K40 HydrophobicContact CE1-CB 3.67Å; F22-K40 HydrophobicContact CE1-CG 3.91Å; F22-K40 HydrophobicContact CE2-CD 4.41Å; F22-K40 HydrophobicContact CG-CG 4.43Å; F22-K40 HydrophobicContact CZ-CB 4.05Å; F22-K40 HydrophobicContact CZ-CD 4.35Å; F22-K40 HydrophobicContact CZ-CG 4.24Å; K40-I43 PolarHBondContact O-N 3.05Å; K40-L44 WeakPolarHBondContact O-CG 3.45Å; K40-L44 PolarHBondContact O-N 3.4Å; K40-L44 VanDerWaalsContact O-N 3.15Å |
| 41 | N | 97.9 | Very high | 95.8 | Very high | 77 Ų | 77 | 87.5 Ų | 87.5 | 41% | 0.412 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -68.5 | -42.1 | -179.9 | -175.9 | -87.4 | 0 | 0 | 0 | 112.2 | S39 I43 L44 R45 | S39-N41 PolarHBondContact O-N 3.42Å; N41-I43 VanDerWaalsContact C-N 3.34Å; N41-I43 PolarHBondContact O-N 3.16Å; N41-L44 PolarHBondContact O-N 3.39Å; N41-R45 WeakPolarHBondContact O-CG 3.33Å; N41-R45 PolarHBondContact O-N 3.1Å; N41-R45 WeakPolarHBondContact OD1-CD 3.35Å; N41-R45 PolarHBondContact OD1-NE 2.85Å; N41-R45 PolarHBondContact OD1-NH1 3.3Å |
| 42 | E | 97.5 | Very high | 95.3 | Very high | 75 Ų | 75 | 87.6 Ų | 87.6 | 35% | 0.35 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 174.7 | -73.1 | 167.5 | 117.1 | 0 | 0 | 111.7 | L38 S39 L44 R45 L46 | L38-E42 HydrophobicContact CB-CB 4.32Å; L38-E42 HydrophobicContact CD2-CB 4.49Å; S39-E42 VanDerWaalsContact CB-OE2 3.26Å; S39-E42 WeakPolarHBondContact CB-OE2 3.27Å; S39-E42 PolarHBondContact N-OE2 2.89Å; S39-E42 PolarHBondContact O-N 3.15Å; S39-E42 WeakPolarHBondContact OG-CB 3.46Å; S39-E42 VanDerWaalsContact OG-CG 3.25Å; S39-E42 WeakPolarHBondContact OG-CG 3.32Å; S39-E42 PolarHBondContact OG-N 3.26Å; S39-E42 PolarHBondContact OG-OE2 3.26Å; E42-L44 VanDerWaalsContact C-N 3.32Å; E42-L44 PolarHBondContact O-N 2.97Å; E42-R45 PolarHBondContact O-N 2.75Å; E42-L46 HydrophobicContact CB-CD1 4.45Å; E42-L46 VanDerWaalsContact O-CB 3.29Å; E42-L46 WeakPolarHBondContact O-CB 3.38Å; E42-L46 WeakPolarHBondContact O-CG 3.48Å; E42-L46 PolarHBondContact O-N 3.21Å |
| 43 | I | 98.2 | Very high | 95.2 | Very high | 12 Ų | 12 | 84.4 Ų | 84.4 | 6% | 0.062 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -54.5 | -49.2 | 175.5 | -70.9 | 168 | 0 | 0 | 0 | 110.1 | F22 L25 R26 I29 L38 S39 K40 N41 L46 A47 | F22-I43 HydrophobicContact CD1-CB 4.25Å; F22-I43 HydrophobicContact CD1-CD1 4.03Å; F22-I43 HydrophobicContact CD1-CG2 3.9Å; F22-I43 HydrophobicContact CE1-CB 4.36Å; F22-I43 HydrophobicContact CE1-CG2 4.17Å; L25-I43 HydrophobicContact CB-CG2 4.37Å; L25-I43 HydrophobicContact CD2-CG2 3.66Å; L25-I43 HydrophobicContact CG-CG2 3.85Å; R26-I43 HydrophobicContact CB-CD1 4.1Å; R26-I43 HydrophobicContact CB-CG1 4.48Å; I29-I43 HydrophobicContact CD1-CB 4.19Å; I29-I43 HydrophobicContact CD1-CG1 4.47Å; I29-I43 HydrophobicContact CD1-CG2 3.76Å; I29-I43 VanDerWaalsContact CD1-O 3.27Å; I29-I43 WeakPolarHBondContact CD1-O 3.3Å; L38-I43 HydrophobicContact CB-CD1 4.29Å; L38-I43 HydrophobicContact CB-CG1 3.69Å; L38-I43 HydrophobicContact CD1-CG1 4.17Å; S39-I43 WeakPolarHBondContact O-CG1 3.45Å; S39-I43 PolarHBondContact O-N 2.89Å; K40-I43 PolarHBondContact O-N 3.05Å; N41-I43 VanDerWaalsContact C-N 3.34Å; N41-I43 PolarHBondContact O-N 3.16Å; I43-L46 PolarHBondContact O-N 3.19Å; I43-A47 VanDerWaalsContact O-CB 3.3Å; I43-A47 WeakPolarHBondContact O-CB 3.32Å; I43-A47 PolarHBondContact O-N 3.41Å |
| 44 | L | 98.2 | Very high | 95.1 | Very high | 83 Ų | 83 | 84.9 Ų | 84.9 | 44% | 0.435 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.1 | -47.3 | 179 | -65.4 | 174.7 | 0 | 0 | 0 | 111.9 | F22 K40 N41 E42 L46 A47 M48 | F22-L44 HydrophobicContact CE1-CD2 4.14Å; F22-L44 HydrophobicContact CE1-CG 4.08Å; F22-L44 HydrophobicContact CZ-CD1 4.32Å; F22-L44 HydrophobicContact CZ-CD2 4.08Å; F22-L44 HydrophobicContact CZ-CG 4.19Å; K40-L44 WeakPolarHBondContact O-CG 3.45Å; K40-L44 PolarHBondContact O-N 3.4Å; K40-L44 VanDerWaalsContact O-N 3.15Å; N41-L44 PolarHBondContact O-N 3.39Å; E42-L44 VanDerWaalsContact C-N 3.32Å; E42-L44 PolarHBondContact O-N 2.97Å; L44-L46 PolarHBondContact O-N 2.87Å; L44-A47 PolarHBondContact O-N 2.97Å; L44-M48 WeakPolarHBondContact O-CE 3.46Å; L44-M48 WeakPolarHBondContact O-CG 3.33Å; L44-M48 PolarHBondContact O-N 2.93Å; L44-M48 VanDerWaalsContact O-N 3.12Å |
| 45 | R | 95.9 | Very high | 95 | Very high | 147 Ų | 147 | 83.1 Ų | 83.1 | 56% | 0.555 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -65.1 | -37.9 | -179.7 | -73.1 | -179.7 | 174.2 | 152.1 | -3.7 | 112.8 | N41 E42 M48 R49 | N41-R45 WeakPolarHBondContact O-CG 3.33Å; N41-R45 PolarHBondContact O-N 3.1Å; N41-R45 WeakPolarHBondContact OD1-CD 3.35Å; N41-R45 PolarHBondContact OD1-NE 2.85Å; N41-R45 PolarHBondContact OD1-NH1 3.3Å; E42-R45 PolarHBondContact O-N 2.75Å; R45-M48 HydrophobicContact CG-CE 4.33Å; R45-R49 WeakPolarHBondContact O-CG 3.34Å; R45-R49 PolarHBondContact O-N 3.05Å; R45-R49 PolarHBondContact O-NE 3.29Å |
| 46 | L | 96.3 | Very high | 94.7 | Very high | 37 Ų | 37 | 80.3 Ų | 80.3 | 19% | 0.194 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -72.6 | -40.1 | 177.7 | -80.2 | 158.9 | 0 | 0 | 0 | 111.5 | I29 L38 E42 I43 L44 M48 R49 Y50 | I29-L46 HydrophobicContact CD1-CB 4.1Å; I29-L46 HydrophobicContact CG2-CB 3.64Å; I29-L46 HydrophobicContact CG2-CD1 4.15Å; I29-L46 HydrophobicContact CG2-CD2 4.49Å; I29-L46 HydrophobicContact CG2-CG 4.3Å; L38-L46 HydrophobicContact CD1-CD1 3.56Å; L38-L46 HydrophobicContact CD2-CD1 4.07Å; L38-L46 HydrophobicContact CG-CD1 4.47Å; E42-L46 HydrophobicContact CB-CD1 4.45Å; E42-L46 VanDerWaalsContact O-CB 3.29Å; E42-L46 WeakPolarHBondContact O-CB 3.38Å; E42-L46 WeakPolarHBondContact O-CG 3.48Å; E42-L46 PolarHBondContact O-N 3.21Å; I43-L46 PolarHBondContact O-N 3.19Å; L44-L46 PolarHBondContact O-N 2.87Å; L46-M48 PolarHBondContact O-N 2.78Å; L46-R49 VanDerWaalsContact CD2-NH2 3.28Å; L46-R49 PolarHBondContact O-N 3.38Å; L46-Y50 WeakPolarHBondContact O-CB 3.45Å; L46-Y50 PolarHBondContact O-N 3.23Å |
| 47 | A | 97.4 | Very high | 94.4 | Very high | 14 Ų | 14 | 79.5 Ų | 79.5 | 12% | 0.116 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -57.6 | -47.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L25 I29 I43 L44 R49 Y50 I51 | L25-A47 HydrophobicContact CD1-CB 4.06Å; L25-A47 HydrophobicContact CD2-CB 4.26Å; L25-A47 HydrophobicContact CG-CB 4.43Å; I29-A47 HydrophobicContact CD1-CB 4.28Å; I43-A47 VanDerWaalsContact O-CB 3.3Å; I43-A47 WeakPolarHBondContact O-CB 3.32Å; I43-A47 PolarHBondContact O-N 3.41Å; L44-A47 PolarHBondContact O-N 2.97Å; A47-R49 PolarHBondContact O-N 3.04Å; A47-Y50 PolarHBondContact O-N 3.21Å; A47-I51 WeakPolarHBondContact O-CG1 3.2Å; A47-I51 PolarHBondContact O-N 3.47Å |
| 48 | M | 93.7 | Very high | 94 | Very high | 88 Ų | 88 | 75.8 Ų | 75.8 | 43% | 0.433 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.4 | -45.2 | 176 | -71 | -176.1 | -71.9 | 0 | 0 | 112.3 | L44 R45 L46 Y50 N52 L77 | L44-M48 WeakPolarHBondContact O-CE 3.46Å; L44-M48 WeakPolarHBondContact O-CG 3.33Å; L44-M48 PolarHBondContact O-N 2.93Å; L44-M48 VanDerWaalsContact O-N 3.12Å; R45-M48 HydrophobicContact CG-CE 4.33Å; L46-M48 PolarHBondContact O-N 2.78Å; M48-Y50 VanDerWaalsContact C-N 3.33Å; M48-Y50 PolarHBondContact O-N 3.1Å; M48-N52 PolarHBondContact O-N 3.22Å; M48-L77 HydrophobicContact CG-CD1 4.48Å; M48-L77 HydrophobicContact SD-CD1 4.35Å |
| 49 | R | 93.2 | Very high | 93.5 | Very high | 156 Ų | 156 | 78.6 Ų | 78.6 | 59% | 0.589 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64.1 | -37.9 | 177.2 | -77.1 | -173.5 | -73.5 | 165.6 | -7 | 112.5 | R45 L46 A47 N52 F53 | R45-R49 WeakPolarHBondContact O-CG 3.34Å; R45-R49 PolarHBondContact O-N 3.05Å; R45-R49 PolarHBondContact O-NE 3.29Å; L46-R49 VanDerWaalsContact CD2-NH2 3.28Å; L46-R49 PolarHBondContact O-N 3.38Å; A47-R49 PolarHBondContact O-N 3.04Å; R49-N52 WeakPolarHBondContact O-CB 3.19Å; R49-N52 PolarHBondContact O-N 3.38Å; R49-F53 WeakPolarHBondContact O-CB 2.95Å; R49-F53 PolarHBondContact O-N 3.28Å |
| 50 | Y | 96.3 | Very high | 92.7 | Very high | 81 Ų | 81 | 79.1 Ų | 79.1 | 32% | 0.318 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -72.4 | -42.8 | -177.9 | -173.5 | -130.6 | 0 | 0 | 0 | 111.9 | L28 P30 L46 A47 M48 N52 F53 L54 | L28-Y50 WeakPolarHBondContact O-CE1 3.16Å; P30-Y50 HydrophobicContact CG-CD1 4.35Å; P30-Y50 HydrophobicContact CG-CD2 3.87Å; P30-Y50 HydrophobicContact CG-CE1 3.98Å; P30-Y50 HydrophobicContact CG-CE2 3.48Å; P30-Y50 VanDerWaalsContact CG-CE2 3.48Å; P30-Y50 HydrophobicContact CG-CG 4.3Å; L46-Y50 WeakPolarHBondContact O-CB 3.45Å; L46-Y50 PolarHBondContact O-N 3.23Å; A47-Y50 PolarHBondContact O-N 3.21Å; M48-Y50 VanDerWaalsContact C-N 3.33Å; M48-Y50 PolarHBondContact O-N 3.1Å; Y50-N52 VanDerWaalsContact C-N 3.26Å; Y50-N52 PolarHBondContact O-N 2.89Å; Y50-F53 HydrophobicContact CD2-CD1 4.15Å; Y50-F53 HydrophobicContact CE2-CD1 4.08Å; Y50-F53 WeakPolarHBondContact O-CB 3.38Å; Y50-F53 PolarHBondContact O-N 3.47Å; Y50-L54 HydrophobicContact CD1-CD1 4.22Å; Y50-L54 HydrophobicContact CD2-CG 4.34Å; Y50-L54 HydrophobicContact CE1-CD1 3.83Å; Y50-L54 HydrophobicContact CE1-CG 4.46Å; Y50-L54 HydrophobicContact CE2-CD1 4.25Å; Y50-L54 HydrophobicContact CE2-CD2 3.94Å; Y50-L54 HydrophobicContact CE2-CG 3.99Å; Y50-L54 WeakPolarHBondContact O-CG 3.48Å; Y50-L54 PolarHBondContact O-N 3.09Å |
| 51 | I | 94.9 | Very high | 92.1 | Very high | 89 Ų | 89 | 80.9 Ų | 80.9 | 46% | 0.456 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -54.3 | -46.8 | 172 | -68.2 | 165.6 | 0 | 0 | 0 | 110.1 | A47 L54 V55 | A47-I51 WeakPolarHBondContact O-CG1 3.2Å; A47-I51 PolarHBondContact O-N 3.47Å; I51-L54 PolarHBondContact O-N 3.07Å; I51-V55 WeakPolarHBondContact O-CG2 3.41Å; I51-V55 PolarHBondContact O-N 3Å |
| 52 | N | 87.1 | Confident | 91.2 | Very high | 38 Ų | 38 | 80.6 Ų | 80.6 | 20% | 0.203 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 177.5 | -178.8 | 52.6 | 0 | 0 | 0 | 113.6 | M48 R49 Y50 L54 V55 Q56 L73 | M48-N52 PolarHBondContact O-N 3.22Å; R49-N52 WeakPolarHBondContact O-CB 3.19Å; R49-N52 PolarHBondContact O-N 3.38Å; Y50-N52 VanDerWaalsContact C-N 3.26Å; Y50-N52 PolarHBondContact O-N 2.89Å; N52-L54 PolarHBondContact O-N 3.01Å; N52-V55 PolarHBondContact O-N 3.28Å; N52-Q56 VanDerWaalsContact CG-NE2 3.34Å; N52-Q56 PolarHBondContact ND2-NE2 3.46Å; N52-Q56 WeakPolarHBondContact O-CG 3.37Å; N52-Q56 PolarHBondContact O-N 3.01Å; N52-Q56 PolarHBondContact OD1-NE2 3.12Å; N52-L73 HydrophobicContact CB-CD1 3.32Å; N52-L73 HydrophobicContact CB-CD2 3.61Å; N52-L73 HydrophobicContact CB-CG 3.84Å; N52-L73 VanDerWaalsContact OD1-CD2 3.27Å; N52-L73 WeakPolarHBondContact OD1-CD2 3.46Å; N52-L73 WeakPolarHBondContact OD1-CG 3.2Å |
| 53 | F | 91.6 | Very high | 89.7 | Confident | 112 Ų | 112 | 80.2 Ų | 80.2 | 49% | 0.491 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -56.2 | -43.9 | 177.2 | 171.5 | -98.8 | 0 | 0 | 0 | 110.9 | R49 Y50 Q56 L57 | R49-F53 WeakPolarHBondContact O-CB 2.95Å; R49-F53 PolarHBondContact O-N 3.28Å; Y50-F53 HydrophobicContact CD2-CD1 4.15Å; Y50-F53 HydrophobicContact CE2-CD1 4.08Å; Y50-F53 WeakPolarHBondContact O-CB 3.38Å; Y50-F53 PolarHBondContact O-N 3.47Å; F53-Q56 PolarHBondContact O-N 3.25Å; F53-L57 HydrophobicContact CE1-CD2 4.3Å; F53-L57 VanDerWaalsContact O-CB 3.28Å; F53-L57 WeakPolarHBondContact O-CB 3.46Å; F53-L57 PolarHBondContact O-N 3.15Å |
| 54 | L | 92.8 | Very high | 88 | Confident | 65 Ų | 65 | 85.9 Ų | 85.9 | 34% | 0.34 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.2 | -41.9 | 177.6 | -65 | 176.9 | 0 | 0 | 0 | 112.6 | Y50 I51 N52 L57 L58 | Y50-L54 HydrophobicContact CD1-CD1 4.22Å; Y50-L54 HydrophobicContact CD2-CG 4.34Å; Y50-L54 HydrophobicContact CE1-CD1 3.83Å; Y50-L54 HydrophobicContact CE1-CG 4.46Å; Y50-L54 HydrophobicContact CE2-CD1 4.25Å; Y50-L54 HydrophobicContact CE2-CD2 3.94Å; Y50-L54 HydrophobicContact CE2-CG 3.99Å; Y50-L54 WeakPolarHBondContact O-CG 3.48Å; Y50-L54 PolarHBondContact O-N 3.09Å; I51-L54 PolarHBondContact O-N 3.07Å; N52-L54 PolarHBondContact O-N 3.01Å; L54-L57 PolarHBondContact O-N 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.41Å; L54-L58 PolarHBondContact O-N 3.44Å |
| 55 | V | 88.4 | Confident | 86.1 | Confident | 54 Ų | 54 | 87.5 Ų | 87.5 | 33% | 0.327 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59 | -49.3 | 175.6 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | I51 N52 L57 L58 E59 | I51-V55 WeakPolarHBondContact O-CG2 3.41Å; I51-V55 PolarHBondContact O-N 3Å; N52-V55 PolarHBondContact O-N 3.28Å; V55-L57 VanDerWaalsContact C-N 3.32Å; V55-L57 PolarHBondContact O-N 2.97Å; V55-L58 PolarHBondContact O-N 3.41Å; V55-L58 VanDerWaalsContact O-N 3.15Å; V55-E59 HydrophobicContact CG1-CG 4.46Å; V55-E59 WeakPolarHBondContact CG1-OE1 3.45Å; V55-E59 WeakPolarHBondContact O-CG 3.22Å; V55-E59 PolarHBondContact O-N 2.9Å |
| 56 | Q | 84.6 | Confident | 84.3 | Confident | 83 Ų | 83 | 83.1 Ų | 83.1 | 39% | 0.388 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.5 | -38.4 | 178.7 | -67.7 | -179.6 | 14.8 | 0 | 0 | 112.4 | N52 F53 L58 E59 S60 | N52-Q56 VanDerWaalsContact CG-NE2 3.34Å; N52-Q56 PolarHBondContact ND2-NE2 3.46Å; N52-Q56 WeakPolarHBondContact O-CG 3.37Å; N52-Q56 PolarHBondContact O-N 3.01Å; N52-Q56 PolarHBondContact OD1-NE2 3.12Å; F53-Q56 PolarHBondContact O-N 3.25Å; Q56-L58 VanDerWaalsContact C-N 3.27Å; Q56-L58 PolarHBondContact O-N 3.45Å; Q56-E59 PolarHBondContact O-N 3.5Å; Q56-S60 WeakPolarHBondContact O-CB 3.48Å; Q56-S60 PolarHBondContact O-N 2.81Å; Q56-S60 PolarHBondContact O-OG 3.33Å |
| 57 | L | 89.8 | Confident | 82.5 | Confident | 76 Ų | 76 | 86.4 Ų | 86.4 | 40% | 0.398 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.4 | -36.8 | 176.3 | -178.1 | 65.2 | 0 | 0 | 0 | 111.4 | F53 L54 V55 S60 Q61 | F53-L57 HydrophobicContact CE1-CD2 4.3Å; F53-L57 VanDerWaalsContact O-CB 3.28Å; F53-L57 WeakPolarHBondContact O-CB 3.46Å; F53-L57 PolarHBondContact O-N 3.15Å; L54-L57 PolarHBondContact O-N 3.31Å; V55-L57 VanDerWaalsContact C-N 3.32Å; V55-L57 PolarHBondContact O-N 2.97Å; L57-S60 PolarHBondContact O-OG 3.4Å; L57-Q61 VanDerWaalsContact O-CG 3.31Å; L57-Q61 WeakPolarHBondContact O-CG 3.27Å; L57-Q61 PolarHBondContact O-N 3.11Å; L57-Q61 PolarHBondContact O-NE2 3.44Å |
| 58 | L | 88.6 | Confident | 80.6 | Confident | 118 Ų | 118 | 93.4 Ų | 93.4 | 62% | 0.618 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -74.4 | -42.4 | 176.5 | -67.6 | 171.8 | 0 | 0 | 0 | 112.2 | L54 V55 Q56 Q61 S62 | L54-L58 WeakPolarHBondContact O-CG 3.41Å; L54-L58 PolarHBondContact O-N 3.44Å; V55-L58 PolarHBondContact O-N 3.41Å; V55-L58 VanDerWaalsContact O-N 3.15Å; Q56-L58 VanDerWaalsContact C-N 3.27Å; Q56-L58 PolarHBondContact O-N 3.45Å; L58-Q61 PolarHBondContact O-N 3.4Å; L58-S62 PolarHBondContact O-N 3.22Å |
| 59 | E | 84.9 | Confident | 79.1 | Confident | 85 Ų | 85 | 91.6 Ų | 91.6 | 40% | 0.397 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 178.3 | -72.4 | 172.6 | 173.5 | 0 | 0 | 111.9 | V55 Q56 Q61 S62 | V55-E59 HydrophobicContact CG1-CG 4.46Å; V55-E59 WeakPolarHBondContact CG1-OE1 3.45Å; V55-E59 WeakPolarHBondContact O-CG 3.22Å; V55-E59 PolarHBondContact O-N 2.9Å; Q56-E59 PolarHBondContact O-N 3.5Å; E59-Q61 VanDerWaalsContact C-N 3.27Å; E59-Q61 PolarHBondContact O-N 2.93Å; E59-S62 PolarHBondContact O-N 3.23Å; E59-S62 PolarHBondContact O-OG 3.06Å |
| 60 | S | 82.1 | Confident | 77.4 | Confident | 68 Ų | 68 | 89.9 Ų | 89.9 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -33.5 | 177.6 | 56.9 | 0 | 0 | 0 | 0 | 113.1 | Q56 L57 S62 | Q56-S60 WeakPolarHBondContact O-CB 3.48Å; Q56-S60 PolarHBondContact O-N 2.81Å; Q56-S60 PolarHBondContact O-OG 3.33Å; L57-S60 PolarHBondContact O-OG 3.4Å; S60-S62 VanDerWaalsContact C-N 3.32Å |
| 61 | Q | 85.3 | Confident | 75.8 | Confident | 141 Ų | 141 | 89.7 Ų | 89.7 | 66% | 0.659 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -72.3 | -25.1 | 174.5 | -72.7 | 176.6 | 93.1 | 0 | 0 | 112.9 | L57 L58 E59 G63 | L57-Q61 VanDerWaalsContact O-CG 3.31Å; L57-Q61 WeakPolarHBondContact O-CG 3.27Å; L57-Q61 PolarHBondContact O-N 3.11Å; L57-Q61 PolarHBondContact O-NE2 3.44Å; L58-Q61 PolarHBondContact O-N 3.4Å; E59-Q61 VanDerWaalsContact C-N 3.27Å; E59-Q61 PolarHBondContact O-N 2.93Å; Q61-G63 VanDerWaalsContact C-N 3.31Å; Q61-G63 PolarHBondContact O-N 3.42Å |
| 62 | S | 77.8 | Confident | 74.4 | Confident | 71 Ų | 71 | 87.9 Ų | 87.9 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -1.6 | -178.9 | 72.5 | 0 | 0 | 0 | 0 | 114.6 | L58 E59 S60 Q64 | L58-S62 PolarHBondContact O-N 3.22Å; E59-S62 PolarHBondContact O-N 3.23Å; E59-S62 PolarHBondContact O-OG 3.06Å; S60-S62 VanDerWaalsContact C-N 3.32Å; S62-Q64 PolarHBondContact O-N 3.21Å |
| 63 | G | 66.8 | Low | 73.3 | Confident | 66 Ų | 66 | 87.9 Ų | 87.9 | 68% | 0.68 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 10.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q61 | Q61-G63 VanDerWaalsContact C-N 3.31Å; Q61-G63 PolarHBondContact O-N 3.42Å |
| 64 | Q | 63 | Low | 72.1 | Confident | 131 Ų | 131 | 87.7 Ų | 87.7 | 61% | 0.612 | 51% | 0.512 | S | S | * | . | trans | -79.3 | 139.4 | 175.5 | -66.9 | -68.3 | -68.6 | 0 | 0 | 110.6 | S62 V66 | S62-Q64 PolarHBondContact O-N 3.21Å; Q64-V66 PolarHBondContact O-N 3.43Å | ||
| 65 | P | 57.8 | Low | 71 | Confident | 118 Ų | 118 | 88.5 Ų | 88.5 | 77% | 0.766 | 52% | 0.52 | S | S | * | . | trans | -65.5 | 122.8 | 179.9 | 25.8 | -32.4 | 0 | 0 | 0 | 110.8 | S67 | P65-S67 PolarHBondContact O-N 3Š| ||
| 66 | V | 59 | Low | 70.1 | Confident | 54 Ų | 54 | 91.2 Ų | 91.2 | 33% | 0.327 | 53% | 0.528 | S | S | . | . | trans | -69 | 111.7 | -175.2 | -171 | 0 | 0 | 0 | 0 | 110 | Q64 H68 | Q64-V66 PolarHBondContact O-N 3.43Å; V66-H68 WeakPolarHBondContact CG1-CE1 3.35Å; V66-H68 WeakPolarHBondContact CG1-ND1 3.4Å; V66-H68 PolarHBondContact O-CD2 2.86Å; V66-H68 VanDerWaalsContact O-CD2 3.31Å; V66-H68 PolarHBondContact O-N 3.22Å | ||
| 67 | S | 58.7 | Low | 69.4 | Low | 106 Ų | 106 | 90.2 Ų | 90.2 | 74% | 0.741 | 53% | 0.525 | S | S | * | . | trans | -79.5 | 88.5 | 169 | -166.6 | 0 | 0 | 0 | 0 | 108.9 | P65 S69 | P65-S67 PolarHBondContact O-N 3Å; S67-S69 VanDerWaalsContact C-N 3.35Å; S67-S69 PolarHBondContact O-N 3.34Å | ||
| 68 | H | 57.4 | Low | 68.5 | Low | 161 Ų | 161 | 93.9 Ų | 93.9 | 75% | 0.745 | 53% | 0.533 | S | S | * | . | trans | -66.9 | 88.2 | 178.9 | -60.7 | -76.5 | 0 | 0 | 0 | 110.8 | V66 | V66-H68 WeakPolarHBondContact CG1-CE1 3.35Å; V66-H68 WeakPolarHBondContact CG1-ND1 3.4Å; V66-H68 PolarHBondContact O-CD2 2.86Å; V66-H68 VanDerWaalsContact O-CD2 3.31Å; V66-H68 PolarHBondContact O-N 3.22Å | ||
| 69 | S | 60.9 | Low | 67.7 | Low | 50 Ų | 50 | 89.8 Ų | 89.8 | 35% | 0.35 | 52% | 0.52 | S | S | . | . | trans | -129.8 | 120.5 | 168.3 | -171.2 | 0 | 0 | 0 | 0 | 110.3 | S67 T71 A72 | S67-S69 VanDerWaalsContact C-N 3.35Å; S67-S69 PolarHBondContact O-N 3.34Å; S69-T71 PolarHBondContact O-N 3.33Å; S69-T71 VanDerWaalsContact OG-CB 3.22Å; S69-T71 WeakPolarHBondContact OG-CB 3.29Å; S69-T71 PolarHBondContact OG-N 3.34Å; S69-T71 PolarHBondContact OG-OG1 3.23Å; S69-A72 WeakPolarHBondContact O-CB 3.45Å; S69-A72 PolarHBondContact O-N 2.92Å | ||
| 70 | P | 57.8 | Low | 66.8 | Low | 120 Ų | 120 | 89 Ų | 89 | 78% | 0.779 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -23.5 | 165.9 | -22.4 | 32.1 | 0 | 0 | 0 | 112.3 | A72 | P70-A72 VanDerWaalsContact C-N 3.33Š|
| 71 | T | 62.4 | Low | 66.2 | Low | 78 Ų | 78 | 89.3 Ų | 89.3 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -73.2 | -22.9 | 175.3 | -39.3 | 0 | 0 | 0 | 0 | 112.3 | S69 L73 L74 T75 | S69-T71 PolarHBondContact O-N 3.33Å; S69-T71 VanDerWaalsContact OG-CB 3.22Å; S69-T71 WeakPolarHBondContact OG-CB 3.29Å; S69-T71 PolarHBondContact OG-N 3.34Å; S69-T71 PolarHBondContact OG-OG1 3.23Å; T71-L73 VanDerWaalsContact C-N 3.25Å; T71-L73 PolarHBondContact O-N 3.4Å; T71-L74 PolarHBondContact O-N 2.92Å; T71-T75 WeakPolarHBondContact O-CB 3.42Å; T71-T75 PolarHBondContact O-N 3.44Å; T71-T75 PolarHBondContact O-OG1 3.17Å |
| 72 | A | 66.1 | Low | 65.4 | Low | 50 Ų | 50 | 88.1 Ų | 88.1 | 41% | 0.413 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.7 | -38.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S69 P70 F76 | S69-A72 WeakPolarHBondContact O-CB 3.45Å; S69-A72 PolarHBondContact O-N 2.92Å; P70-A72 VanDerWaalsContact C-N 3.33Å; A72-F76 WeakPolarHBondContact O-CB 3.45Å; A72-F76 PolarHBondContact O-N 3.25Å |
| 73 | L | 63.8 | Low | 64.6 | Low | 38 Ų | 38 | 93.2 Ų | 93.2 | 20% | 0.199 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -70.5 | -43 | 173.4 | -72.6 | -177.4 | 0 | 0 | 0 | 113.6 | N52 T71 T75 F76 L77 | N52-L73 HydrophobicContact CB-CD1 3.32Å; N52-L73 HydrophobicContact CB-CD2 3.61Å; N52-L73 HydrophobicContact CB-CG 3.84Å; N52-L73 VanDerWaalsContact OD1-CD2 3.27Å; N52-L73 WeakPolarHBondContact OD1-CD2 3.46Å; N52-L73 WeakPolarHBondContact OD1-CG 3.2Å; T71-L73 VanDerWaalsContact C-N 3.25Å; T71-L73 PolarHBondContact O-N 3.4Å; L73-T75 PolarHBondContact O-N 2.82Å; L73-F76 PolarHBondContact O-N 3.23Å; L73-L77 WeakPolarHBondContact O-CB 3.49Å; L73-L77 WeakPolarHBondContact O-CG 3.41Å; L73-L77 PolarHBondContact O-N 2.69Å |
| 74 | L | 66.3 | Low | 64 | Low | 108 Ų | 108 | 96 Ų | 96 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.4 | -35.5 | 177.2 | -70.7 | -179.5 | 0 | 0 | 0 | 110.3 | T71 R78 | T71-L74 PolarHBondContact O-N 2.92Å; L74-R78 WeakPolarHBondContact O-CA 3.36Å; L74-R78 WeakPolarHBondContact O-CB 3.48Å; L74-R78 PolarHBondContact O-N 3.2Å |
| 75 | T | 70 | Confident | 63.5 | Low | 82 Ų | 82 | 96.1 Ų | 96.1 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70 | -41.6 | 173.5 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | T71 L73 G79 | T71-T75 WeakPolarHBondContact O-CB 3.42Å; T71-T75 PolarHBondContact O-N 3.44Å; T71-T75 PolarHBondContact O-OG1 3.17Å; L73-T75 PolarHBondContact O-N 2.82Å; T75-G79 WeakPolarHBondContact O-CA 3.26Å; T75-G79 PolarHBondContact O-N 2.75Å |
| 76 | F | 68.5 | Low | 63.1 | Low | 112 Ų | 112 | 95.4 Ų | 95.4 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.4 | -48.7 | 177.8 | 179.4 | -96.6 | 0 | 0 | 0 | 111.6 | A72 L73 G79 N80 | A72-F76 WeakPolarHBondContact O-CB 3.45Å; A72-F76 PolarHBondContact O-N 3.25Å; L73-F76 PolarHBondContact O-N 3.23Å; F76-G79 PolarHBondContact O-N 2.8Å; F76-N80 WeakPolarHBondContact O-CB 3.47Å; F76-N80 PolarHBondContact O-N 3.45Å |
| 77 | L | 69.8 | Low | 62.6 | Low | 61 Ų | 61 | 97.1 Ų | 97.1 | 32% | 0.319 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65 | -41.9 | 176.4 | -66 | 175.5 | 0 | 0 | 0 | 110.9 | M48 L73 N80 V81 | M48-L77 HydrophobicContact CG-CD1 4.48Å; M48-L77 HydrophobicContact SD-CD1 4.35Å; L73-L77 WeakPolarHBondContact O-CB 3.49Å; L73-L77 WeakPolarHBondContact O-CG 3.41Å; L73-L77 PolarHBondContact O-N 2.69Å; L77-N80 PolarHBondContact O-N 3Å; L77-V81 WeakPolarHBondContact O-CG2 3.25Å; L77-V81 PolarHBondContact O-N 3.5Å |
| 78 | R | 72.6 | Confident | 62.3 | Low | 153 Ų | 153 | 96.5 Ų | 96.5 | 58% | 0.577 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.1 | -46.8 | 172 | -178.1 | 140.4 | 81.9 | -108.3 | 11.9 | 111 | L74 N80 V81 E82 | L74-R78 WeakPolarHBondContact O-CA 3.36Å; L74-R78 WeakPolarHBondContact O-CB 3.48Å; L74-R78 PolarHBondContact O-N 3.2Å; R78-N80 VanDerWaalsContact C-N 3.29Å; R78-N80 PolarHBondContact O-N 3.38Å; R78-V81 PolarHBondContact O-N 2.99Å; R78-V81 VanDerWaalsContact O-N 3.1Å; R78-E82 HydrophobicContact CG-CG 4.24Å; R78-E82 WeakPolarHBondContact O-CG 3.39Å; R78-E82 PolarHBondContact O-N 3.27Å |
| 79 | G | 70.3 | Confident | 62 | Low | 33 Ų | 33 | 97.4 Ų | 97.4 | 34% | 0.34 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.4 | -39 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | T75 F76 R83 | T75-G79 WeakPolarHBondContact O-CA 3.26Å; T75-G79 PolarHBondContact O-N 2.75Å; F76-G79 PolarHBondContact O-N 2.8Å; G79-R83 WeakPolarHBondContact O-CB 3.45Å; G79-R83 PolarHBondContact O-N 2.82Å |
| 80 | N | 66 | Low | 61.4 | Low | 67 Ų | 67 | 100.9 Ų | 100.9 | 36% | 0.358 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67.2 | -40.6 | 173.7 | -106.2 | 17.1 | 0 | 0 | 0 | 112.3 | F76 L77 R78 R83 L84 | F76-N80 WeakPolarHBondContact O-CB 3.47Å; F76-N80 PolarHBondContact O-N 3.45Å; L77-N80 PolarHBondContact O-N 3Å; R78-N80 VanDerWaalsContact C-N 3.29Å; R78-N80 PolarHBondContact O-N 3.38Å; N80-R83 PolarHBondContact O-N 3.31Å; N80-L84 WeakPolarHBondContact O-CG 3.4Å; N80-L84 PolarHBondContact O-N 3.09Å; N80-L84 VanDerWaalsContact O-N 3.14Å |
| 81 | V | 70.9 | Confident | 60.9 | Low | 75 Ų | 75 | 107.2 Ų | 107.2 | 46% | 0.455 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.6 | -46.6 | 174.9 | 167.7 | 0 | 0 | 0 | 0 | 111 | L77 R78 R83 L84 H85 | L77-V81 WeakPolarHBondContact O-CG2 3.25Å; L77-V81 PolarHBondContact O-N 3.5Å; R78-V81 PolarHBondContact O-N 2.99Å; R78-V81 VanDerWaalsContact O-N 3.1Å; V81-R83 VanDerWaalsContact C-N 3.32Å; V81-R83 PolarHBondContact O-N 3.41Å; V81-L84 PolarHBondContact O-N 2.96Å; V81-H85 PolarHBondContact O-CD2 2.83Å; V81-H85 VanDerWaalsContact O-CD2 3.22Å; V81-H85 PolarHBondContact O-N 2.9Å; V81-H85 VanDerWaalsContact O-N 3.16Å |
| 82 | E | 67.8 | Low | 60.2 | Low | 116 Ų | 116 | 106.4 Ų | 106.4 | 54% | 0.542 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.6 | -38.8 | 176.8 | -66.1 | -59.5 | 150.1 | 0 | 0 | 111.9 | R78 L84 H85 S86 | R78-E82 HydrophobicContact CG-CG 4.24Å; R78-E82 WeakPolarHBondContact O-CG 3.39Å; R78-E82 PolarHBondContact O-N 3.27Å; E82-L84 VanDerWaalsContact C-N 3.34Å; E82-L84 PolarHBondContact O-N 3.35Å; E82-H85 PolarHBondContact O-N 3.27Å; E82-S86 PolarHBondContact O-N 2.76Å |
| 83 | R | 60.2 | Low | 59.2 | Low | 179 Ų | 179 | 111.8 Ų | 111.8 | 68% | 0.675 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.7 | -35.1 | 177.8 | -167.9 | 177.9 | -69.4 | 167.2 | -2.8 | 112.6 | G79 N80 V81 S87 | G79-R83 WeakPolarHBondContact O-CB 3.45Å; G79-R83 PolarHBondContact O-N 2.82Å; N80-R83 PolarHBondContact O-N 3.31Å; V81-R83 VanDerWaalsContact C-N 3.32Å; V81-R83 PolarHBondContact O-N 3.41Å; R83-S87 WeakPolarHBondContact O-CB 3.33Å; R83-S87 PolarHBondContact O-N 3.41Å; R83-S87 VanDerWaalsContact O-N 3.12Å |
| 84 | L | 55 | Low | 58 | Low | 123 Ų | 123 | 114.9 Ų | 114.9 | 64% | 0.644 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -67.8 | -36.6 | 173.1 | -69.4 | 172.7 | 0 | 0 | 0 | 112 | N80 V81 E82 S87 S88 | N80-L84 WeakPolarHBondContact O-CG 3.4Å; N80-L84 PolarHBondContact O-N 3.09Å; N80-L84 VanDerWaalsContact O-N 3.14Å; V81-L84 PolarHBondContact O-N 2.96Å; E82-L84 VanDerWaalsContact C-N 3.34Å; E82-L84 PolarHBondContact O-N 3.35Å; L84-S87 PolarHBondContact O-N 3.06Å; L84-S88 PolarHBondContact O-OG 3.43Å |
| 85 | H | 53.3 | Low | 56.8 | Low | 134 Ų | 134 | 113.9 Ų | 113.9 | 62% | 0.62 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -71.6 | -37.5 | 176.6 | -77.6 | -129.4 | 0 | 0 | 0 | 111.9 | V81 E82 S87 S88 | V81-H85 PolarHBondContact O-CD2 2.83Å; V81-H85 VanDerWaalsContact O-CD2 3.22Å; V81-H85 PolarHBondContact O-N 2.9Å; V81-H85 VanDerWaalsContact O-N 3.16Å; E82-H85 PolarHBondContact O-N 3.27Å; H85-S87 VanDerWaalsContact C-N 3.27Å; H85-S87 PolarHBondContact O-N 3.28Å; H85-S88 WeakPolarHBondContact O-CB 3.39Å; H85-S88 PolarHBondContact O-N 2.99Å |
| 86 | S | 49.1 | Very low | 55.5 | Low | 104 Ų | 104 | 118.2 Ų | 118.2 | 73% | 0.727 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66.5 | -27.7 | 173.3 | -178.4 | 0 | 0 | 0 | 0 | 112.9 | E82 S88 | E82-S86 PolarHBondContact O-N 2.76Å; S86-S88 PolarHBondContact O-N 3.42Å |
| 87 | S | 48.8 | Very low | 54.8 | Low | 90 Ų | 90 | 118.1 Ų | 118.1 | 63% | 0.629 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 2.2 | 174.7 | 179.4 | 0 | 0 | 0 | 0 | 114.2 | R83 L84 H85 Q89 | R83-S87 WeakPolarHBondContact O-CB 3.33Å; R83-S87 PolarHBondContact O-N 3.41Å; R83-S87 VanDerWaalsContact O-N 3.12Å; L84-S87 PolarHBondContact O-N 3.06Å; H85-S87 VanDerWaalsContact C-N 3.27Å; H85-S87 PolarHBondContact O-N 3.28Å; S87-Q89 PolarHBondContact O-N 3.02Å |
| 88 | S | 52.1 | Low | 53.5 | Low | 92 Ų | 92 | 121.9 Ų | 121.9 | 64% | 0.643 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 11.5 | -173.5 | -63.8 | 0 | 0 | 0 | 0 | 115.6 | L84 H85 S86 | L84-S88 PolarHBondContact O-OG 3.43Å; H85-S88 WeakPolarHBondContact O-CB 3.39Å; H85-S88 PolarHBondContact O-N 2.99Å; S86-S88 PolarHBondContact O-N 3.42Å |
| 89 | Q | 50.4 | Low | 52.3 | Low | 181 Ų | 181 | 119.5 Ų | 119.5 | 85% | 0.846 | 68% | 0.682 | S | S | * | * | trans | -120.3 | 68.4 | 179.5 | -154.5 | 172 | 24.4 | 0 | 0 | 113.6 | S87 | S87-Q89 PolarHBondContact O-N 3.02Š| ||
| 90 | T | 48.4 | Very low | 51 | Low | 122 Ų | 122 | 125.5 Ų | 125.5 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -140.6 | -2.3 | 156.7 | 73.2 | 0 | 0 | 0 | 0 | 115.2 | G92 | T90-G92 PolarHBondContact O-N 3.49Å; T90-G92 VanDerWaalsContact O-N 3.12Å |
| 91 | W | 46.9 | Very low | 50.4 | Low | 254 Ų | 254 | 128 Ų | 128 | 96% | 0.962 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -86.6 | 37.8 | 178.4 | -69.1 | 86.3 | 0 | 0 | 0 | 113.8 | ||
| 92 | G | 48.6 | Very low | 49.4 | Very low | 60 Ų | 60 | 130.3 Ų | 130.3 | 62% | 0.619 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -163.6 | 75.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T90 | T90-G92 PolarHBondContact O-N 3.49Å; T90-G92 VanDerWaalsContact O-N 3.12Å |
| 93 | L | 43.8 | Very low | 48.2 | Very low | 163 Ų | 163 | 128 Ų | 128 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | trans | -177.6 | 70.3 | 145.6 | -122.9 | 79.5 | 0 | 0 | 0 | 108.7 | ||||
| 94 | A | 39.8 | Very low | 47.4 | Very low | 103 Ų | 103 | 125.6 Ų | 125.6 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -89.7 | 106.3 | 148 | 0 | 0 | 0 | 0 | 0 | 104.3 | D96 | A94-D96 PolarHBondContact O-N 3Š|
| 95 | S | 41.5 | Very low | 46.9 | Very low | 87 Ų | 87 | 123.9 Ų | 123.9 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | trans | -47.1 | 122.9 | -170.3 | -56.7 | 0 | 0 | 0 | 0 | 113.3 | T97 | S95-T97 PolarHBondContact O-N 3.41Å; S95-T97 PolarHBondContact O-OG1 3.21Å | ||
| 96 | D | 41.8 | Very low | 46.8 | Very low | 173 Ų | 173 | 122.8 Ų | 122.8 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | trans | -53.9 | 108.1 | 148.9 | -73.9 | -49.1 | 0 | 0 | 0 | 107.1 | A94 | A94-D96 PolarHBondContact O-N 3Š| ||
| 97 | T | 54.3 | Low | 46.3 | Very low | 110 Ų | 110 | 124.8 Ų | 124.8 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | trans | -120.5 | 118.2 | 166.6 | -2.8 | 0 | 0 | 0 | 0 | 107.4 | S95 | S95-T97 PolarHBondContact O-N 3.41Å; S95-T97 PolarHBondContact O-OG1 3.21Å | ||
| 98 | D | 41.3 | Very low | 46.3 | Very low | 140 Ų | 140 | 124.8 Ų | 124.8 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | 81.3 | 76.5 | 160.4 | -55 | -40.3 | 0 | 0 | 0 | 118.8 | L100 | D98-L100 PolarHBondContact O-N 2.99Š| ||
| 99 | A | 47.8 | Very low | 46.2 | Very low | 103 Ų | 103 | 127 Ų | 127 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | trans | -71.3 | 108.4 | 143.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 100 | L | 44.3 | Very low | 45.8 | Very low | 160 Ų | 160 | 127.3 Ų | 127.3 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -112.4 | 101.2 | 160.5 | -80.6 | 167.2 | 0 | 0 | 0 | 108.6 | D98 | D98-L100 PolarHBondContact O-N 2.99Š| ||
| 101 | S | 52 | Low | 45.5 | Very low | 118 Ų | 118 | 125.2 Ų | 125.2 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | -82.2 | 137.2 | 163.5 | -64.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 102 | P | 49.9 | Very low | 45.3 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | trans | -127.8 | 116.3 | 141.4 | 28.6 | -12.7 | 0 | 0 | 0 | 111.1 | ||||
| 103 | G | 42.7 | Very low | 45.2 | Very low | 69 Ų | 69 | 132.1 Ų | 132.1 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | 64 | 126.4 | 125.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 104 | S | 43.7 | Very low | 45.3 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | 72.5 | 143.3 | 133.9 | -164.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 105 | S | 44.7 | Very low | 45.6 | Very low | 87 Ų | 87 | 132 Ų | 132 | 61% | 0.608 | 79% | 0.792 | S | S | * | * | cis | 177.1 | 141.7 | -13.9 | 164.8 | 0 | 0 | 0 | 0 | 102.4 | ||||
| 106 | C | 51 | Low | 45.8 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 76% | 0.757 | 80% | 0.803 | S | S | * | * | trans | 52.1 | 142.3 | 165.4 | 65.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 107 | D | 38.4 | Very low | 46.1 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | -167.1 | 166.9 | 57.2 | -159.8 | -86 | 0 | 0 | 0 | 110.3 | |||||
| 108 | S | 49.3 | Very low | 45.5 | Very low | 90 Ų | 90 | 133.7 Ų | 133.7 | 63% | 0.629 | 80% | 0.803 | S | S | * | * | trans | -69.3 | 151.2 | -175.6 | -59.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 109 | T | 48.9 | Very low | 45.8 | Very low | 138 Ų | 138 | 133.3 Ų | 133.3 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | 164.2 | 141.9 | 110.9 | 35 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 110 | E | 43.3 | Very low | 45.7 | Very low | 189 Ų | 189 | 135.6 Ų | 135.6 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | -32.7 | 149.6 | 155.8 | -94.6 | 158.2 | 65.7 | 0 | 0 | 114.2 | ||||
| 111 | A | 41.3 | Very low | 45.8 | Very low | 78 Ų | 78 | 133.6 Ų | 133.6 | 65% | 0.645 | 80% | 0.801 | S | S | * | * | 168.3 | 136 | 102.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 112 | W | 44.2 | Very low | 45.2 | Very low | 326 Ų | 326 | 135 Ų | 135 | 100% | 1.235 | 80% | 0.799 | S | S | * | * | trans | 69.1 | 0 | 165 | -49.9 | 86.3 | 0 | 0 | 0 | 119.9 |
Retrieved 112 of 112 residues in 549.8 ms
(Link to these results)