| 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 | P | 58.1 | Low | 67.6 | Low | 164 Ų | 164 | 110.9 Ų | 110.9 | 100% | 1.065 | 60% | 0.603 | S | S | * | * | 0 | -36.1 | 0 | 24.6 | -33.5 | 0 | 0 | 0 | 112.1 | |||||
| 2 | E | 55.6 | Low | 68 | Low | 168 Ų | 168 | 111.4 Ų | 111.4 | 79% | 0.785 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69.2 | -39.6 | -179.6 | -160.5 | 167 | -162.7 | 0 | 0 | 113.9 | A4 A5 E6 | E2-A4 PolarHBondContact O-N 3.09Å; E2-A4 VanDerWaalsContact O-N 3.16Å; E2-A5 PolarHBondContact O-N 2.78Å; E2-A5 VanDerWaalsContact O-N 3.12Å; E2-E6 PolarHBondContact O-N 3.22Å; E2-E6 VanDerWaalsContact O-N 3.07Å |
| 3 | A | 59.5 | Low | 68.1 | Low | 66 Ų | 66 | 112 Ų | 112 | 55% | 0.545 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.1 | -22.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | R7 | A3-R7 PolarHBondContact O-N 3.37Å |
| 4 | A | 64.8 | Low | 68.5 | Low | 66 Ų | 66 | 107.6 Ų | 107.6 | 55% | 0.545 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -76.4 | -42.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | E2 E6 R7 D8 | E2-A4 PolarHBondContact O-N 3.09Å; E2-A4 VanDerWaalsContact O-N 3.16Å; A4-E6 VanDerWaalsContact C-N 3.34Å; A4-E6 PolarHBondContact O-N 3.18Å; A4-R7 PolarHBondContact O-N 2.92Å; A4-D8 WeakPolarHBondContact O-CB 3.3Å; A4-D8 PolarHBondContact O-N 3.46Å |
| 5 | A | 68.1 | Low | 68.3 | Low | 65 Ų | 65 | 108.3 Ų | 108.3 | 54% | 0.537 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.9 | -36.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E2 D8 A9 | E2-A5 PolarHBondContact O-N 2.78Å; E2-A5 VanDerWaalsContact O-N 3.12Å; A5-D8 PolarHBondContact O-N 3.11Å; A5-A9 WeakPolarHBondContact O-CB 3.24Å; A5-A9 PolarHBondContact O-N 3.05Å |
| 6 | E | 71.1 | Confident | 68.4 | Low | 94 Ų | 94 | 113.2 Ų | 113.2 | 44% | 0.439 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.9 | -38.6 | 175.3 | -169.9 | -178.8 | 177.2 | 0 | 0 | 112.2 | E2 A4 A9 R10 | E2-E6 PolarHBondContact O-N 3.22Å; E2-E6 VanDerWaalsContact O-N 3.07Å; A4-E6 VanDerWaalsContact C-N 3.34Å; A4-E6 PolarHBondContact O-N 3.18Å; E6-A9 PolarHBondContact O-N 3.22Å; E6-R10 WeakPolarHBondContact O-CB 3.4Å; E6-R10 VanDerWaalsContact O-CG 3.31Å; E6-R10 WeakPolarHBondContact O-CG 3.35Å; E6-R10 PolarHBondContact O-N 2.79Å; E6-R10 IonicContact OE1-CZ 2.75Å; E6-R10 IonicContact OE1-NH1 3.18Å; E6-R10 PolarHBondContact OE1-NH1 3.41Å; E6-R10 IonicContact OE1-NH2 2.62Å; E6-R10 PolarHBondContact OE1-NH2 3.28Å |
| 7 | R | 71.9 | Confident | 68.1 | Low | 187 Ų | 187 | 115.5 Ų | 115.5 | 71% | 0.706 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.2 | -45.3 | 172.1 | -102.5 | -174 | 165.5 | 121.7 | -2.7 | 111.8 | A3 A4 A9 R10 E11 | A3-R7 PolarHBondContact O-N 3.37Å; A4-R7 PolarHBondContact O-N 2.92Å; R7-A9 VanDerWaalsContact C-N 3.28Å; R7-A9 PolarHBondContact O-N 3.3Å; R7-R10 PolarHBondContact O-N 3.42Å; R7-E11 WeakPolarHBondContact O-CB 3.38Å; R7-E11 PolarHBondContact O-N 3.01Å |
| 8 | D | 71.9 | Confident | 67.4 | Low | 78 Ų | 78 | 120.8 Ų | 120.8 | 42% | 0.417 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -62.3 | -38.2 | 178.8 | -136.7 | 58.4 | 0 | 0 | 0 | 111.4 | A4 A5 K12 | A4-D8 WeakPolarHBondContact O-CB 3.3Å; A4-D8 PolarHBondContact O-N 3.46Å; A5-D8 PolarHBondContact O-N 3.11Å; D8-K12 WeakPolarHBondContact O-CB 3.42Å; D8-K12 VanDerWaalsContact O-CG 3.24Å; D8-K12 WeakPolarHBondContact O-CG 3.44Å; D8-K12 PolarHBondContact O-N 2.99Å; D8-K12 WeakPolarHBondContact OD2-CE 3.12Å; D8-K12 IonicContact OD2-NZ 3.49Å; D8-K12 PolarHBondContact OD2-NZ 2.74Å |
| 9 | A | 72.8 | Confident | 66.6 | Low | 48 Ų | 48 | 121.4 Ų | 121.4 | 40% | 0.397 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.6 | -44.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A5 E6 R7 E11 K12 L13 | A5-A9 WeakPolarHBondContact O-CB 3.24Å; A5-A9 PolarHBondContact O-N 3.05Å; E6-A9 PolarHBondContact O-N 3.22Å; R7-A9 VanDerWaalsContact C-N 3.28Å; R7-A9 PolarHBondContact O-N 3.3Å; A9-E11 VanDerWaalsContact C-N 3.33Å; A9-E11 PolarHBondContact O-N 3.05Å; A9-K12 PolarHBondContact O-N 3.41Å; A9-L13 WeakPolarHBondContact O-CB 3.42Å; A9-L13 VanDerWaalsContact O-CG 3.28Å; A9-L13 WeakPolarHBondContact O-CG 3.31Å; A9-L13 PolarHBondContact O-N 3.08Å |
| 10 | R | 73.5 | Confident | 65.8 | Low | 151 Ų | 151 | 120.6 Ų | 120.6 | 57% | 0.57 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62.2 | -39.6 | 175.7 | -77.1 | 174.9 | 177.1 | 144.3 | 4 | 112.4 | E6 R7 L13 A14 | E6-R10 WeakPolarHBondContact O-CB 3.4Å; E6-R10 VanDerWaalsContact O-CG 3.31Å; E6-R10 WeakPolarHBondContact O-CG 3.35Å; E6-R10 PolarHBondContact O-N 2.79Å; E6-R10 IonicContact OE1-CZ 2.75Å; E6-R10 IonicContact OE1-NH1 3.18Å; E6-R10 PolarHBondContact OE1-NH1 3.41Å; E6-R10 IonicContact OE1-NH2 2.62Å; E6-R10 PolarHBondContact OE1-NH2 3.28Å; R7-R10 PolarHBondContact O-N 3.42Å; R10-L13 PolarHBondContact O-N 3.43Å; R10-A14 WeakPolarHBondContact O-CB 3.44Å; R10-A14 PolarHBondContact O-N 3.32Å |
| 11 | E | 76.4 | Confident | 65.1 | Low | 133 Ų | 133 | 121.5 Ų | 121.5 | 62% | 0.621 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.2 | -40.1 | 179.7 | -156.8 | 166.4 | -138.1 | 0 | 0 | 111.2 | R7 A9 A14 L15 | R7-E11 WeakPolarHBondContact O-CB 3.38Å; R7-E11 PolarHBondContact O-N 3.01Å; A9-E11 VanDerWaalsContact C-N 3.33Å; A9-E11 PolarHBondContact O-N 3.05Å; E11-A14 PolarHBondContact O-N 2.88Å; E11-L15 WeakPolarHBondContact O-CG 3.38Å; E11-L15 PolarHBondContact O-N 3.34Å |
| 12 | K | 72.8 | Confident | 65 | Low | 117 Ų | 117 | 117.3 Ų | 117.3 | 51% | 0.509 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.2 | -43.3 | 169.7 | -74.3 | 168.8 | -169.3 | 156.4 | 0 | 111.6 | D8 A9 L15 | D8-K12 WeakPolarHBondContact O-CB 3.42Å; D8-K12 VanDerWaalsContact O-CG 3.24Å; D8-K12 WeakPolarHBondContact O-CG 3.44Å; D8-K12 PolarHBondContact O-N 2.99Å; D8-K12 WeakPolarHBondContact OD2-CE 3.12Å; D8-K12 IonicContact OD2-NZ 3.49Å; D8-K12 PolarHBondContact OD2-NZ 2.74Å; A9-K12 PolarHBondContact O-N 3.41Å; K12-L15 WeakPolarHBondContact O-CB 3.19Å; K12-L15 PolarHBondContact O-N 3.38Å |
| 13 | L | 68.8 | Low | 64.8 | Low | 119 Ų | 119 | 115 Ų | 115 | 62% | 0.623 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.3 | -39.7 | 175.9 | -74 | 168.2 | 0 | 0 | 0 | 112.4 | A9 R10 L15 W16 D17 | A9-L13 WeakPolarHBondContact O-CB 3.42Å; A9-L13 VanDerWaalsContact O-CG 3.28Å; A9-L13 WeakPolarHBondContact O-CG 3.31Å; A9-L13 PolarHBondContact O-N 3.08Å; R10-L13 PolarHBondContact O-N 3.43Å; L13-L15 PolarHBondContact O-N 2.87Å; L13-W16 WeakPolarHBondContact O-CB 3.21Å; L13-W16 PolarHBondContact O-N 3.41Å; L13-D17 PolarHBondContact O-N 2.98Å; L13-D17 VanDerWaalsContact O-N 3.13Å |
| 14 | A | 74.5 | Confident | 64.7 | Low | 51 Ų | 51 | 114.2 Ų | 114.2 | 42% | 0.421 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.9 | -27.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | R10 E11 W16 R18 | R10-A14 WeakPolarHBondContact O-CB 3.44Å; R10-A14 PolarHBondContact O-N 3.32Å; E11-A14 PolarHBondContact O-N 2.88Å; A14-W16 VanDerWaalsContact C-N 3.35Å; A14-R18 WeakPolarHBondContact O-CB 3.26Å; A14-R18 PolarHBondContact O-N 3.18Å; A14-R18 VanDerWaalsContact O-N 3.11Å |
| 15 | L | 64.8 | Low | 64.4 | Low | 118 Ų | 118 | 116.8 Ų | 116.8 | 62% | 0.618 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71.7 | -27.9 | 173.5 | -68.2 | 169.1 | 0 | 0 | 0 | 113 | E11 K12 L13 R19 | E11-L15 WeakPolarHBondContact O-CG 3.38Å; E11-L15 PolarHBondContact O-N 3.34Å; K12-L15 WeakPolarHBondContact O-CB 3.19Å; K12-L15 PolarHBondContact O-N 3.38Å; L13-L15 PolarHBondContact O-N 2.87Å; L15-R19 PolarHBondContact O-N 2.86Å |
| 16 | W | 70.2 | Confident | 64 | Low | 186 Ų | 186 | 117.5 Ų | 117.5 | 71% | 0.705 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -77.3 | -37.7 | 176.2 | -71.1 | 52.4 | 0 | 0 | 0 | 110.8 | L13 A14 R18 R19 I76 | L13-W16 WeakPolarHBondContact O-CB 3.21Å; L13-W16 PolarHBondContact O-N 3.41Å; A14-W16 VanDerWaalsContact C-N 3.35Å; W16-R18 VanDerWaalsContact C-N 3.27Å; W16-R18 PolarHBondContact O-N 3.47Å; W16-R19 PolarHBondContact O-N 3Å; W16-I76 HydrophobicContact CH2-CD1 4.46Å |
| 17 | D | 63.9 | Low | 63.9 | Low | 153 Ų | 153 | 116.9 Ų | 116.9 | 82% | 0.818 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.6 | -32 | 174.4 | -155.3 | 46 | 0 | 0 | 0 | 112 | L13 | L13-D17 PolarHBondContact O-N 2.98Å; L13-D17 VanDerWaalsContact O-N 3.13Å |
| 18 | R | 54.3 | Low | 63.8 | Low | 211 Ų | 211 | 114.5 Ų | 114.5 | 80% | 0.796 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -0 | 176.5 | -90.1 | -171.6 | -177.5 | 170.5 | 2.9 | 115.5 | A14 W16 P20 | A14-R18 WeakPolarHBondContact O-CB 3.26Å; A14-R18 PolarHBondContact O-N 3.18Å; A14-R18 VanDerWaalsContact O-N 3.11Å; W16-R18 VanDerWaalsContact C-N 3.27Å; W16-R18 PolarHBondContact O-N 3.47Å; R18-P20 VanDerWaalsContact O-CD 3.3Å; R18-P20 WeakPolarHBondContact O-CD 3.49Å |
| 19 | R | 53.2 | Low | 63.6 | Low | 131 Ų | 131 | 121 Ų | 121 | 49% | 0.494 | 61% | 0.612 | S | S | . | * | trans | -59.9 | 117.8 | -178.5 | -169.7 | 178 | -178.2 | -178.6 | 0.9 | 108.1 | L15 W16 D21 | L15-R19 PolarHBondContact O-N 2.86Å; W16-R19 PolarHBondContact O-N 3Å; R19-D21 PolarHBondContact O-N 3.25Å | ||
| 20 | P | 50 | Low | 63.3 | Low | 106 Ų | 106 | 120.4 Ų | 120.4 | 69% | 0.688 | 60% | 0.601 | S | S | * | * | trans | -62.1 | 136.2 | -177.9 | 25.1 | -32 | 0 | 0 | 0 | 108.3 | R18 T22 | R18-P20 VanDerWaalsContact O-CD 3.3Å; R18-P20 WeakPolarHBondContact O-CD 3.49Å; P20-T22 PolarHBondContact O-N 3.23Å; P20-T22 VanDerWaalsContact O-N 3.09Å | ||
| 21 | D | 52.1 | Low | 63.2 | Low | 140 Ų | 140 | 115.8 Ų | 115.8 | 75% | 0.749 | 59% | 0.59 | S | S | * | * | trans | -29.6 | 110.8 | -176.5 | -58.9 | -81 | 0 | 0 | 0 | 111.6 | R19 T23 | R19-D21 PolarHBondContact O-N 3.25Å; D21-T23 HydrophobicContact CB-CG2 3.66Å; D21-T23 PolarHBondContact O-N 3.23Å | ||
| 22 | T | 54.9 | Low | 62.7 | Low | 75 Ų | 75 | 114.6 Ų | 114.6 | 46% | 0.46 | 59% | 0.588 | S | S | . | * | trans | -69.9 | 81.5 | 162.7 | 46.7 | 0 | 0 | 0 | 0 | 106.4 | P20 A24 V83 | P20-T22 PolarHBondContact O-N 3.23Å; P20-T22 VanDerWaalsContact O-N 3.09Å; T22-A24 PolarHBondContact O-N 2.91Å; T22-V83 HydrophobicContact CG2-CB 4.3Å; T22-V83 HydrophobicContact CG2-CG1 3.32Å; T22-V83 HydrophobicContact CG2-CG2 3.95Å | ||
| 23 | T | 50.8 | Low | 62.5 | Low | 120 Ų | 120 | 111.1 Ų | 111.1 | 74% | 0.736 | 58% | 0.578 | S | S | * | * | trans | -74.4 | 8 | -179.4 | 45 | 0 | 0 | 0 | 0 | 113.1 | D21 P25 | D21-T23 HydrophobicContact CB-CG2 3.66Å; D21-T23 PolarHBondContact O-N 3.23Å; T23-P25 WeakPolarHBondContact O-CD 3.41Å | ||
| 24 | A | 57.7 | Low | 62.5 | Low | 50 Ų | 50 | 107.2 Ų | 107.2 | 41% | 0.413 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -69.6 | 110.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | T22 L26 | T22-A24 PolarHBondContact O-N 2.91Å; A24-L26 PolarHBondContact O-N 2.85Å |
| 25 | P | 58.2 | Low | 62.2 | Low | 120 Ų | 120 | 109.8 Ų | 109.8 | 78% | 0.779 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 126.2 | 178.4 | 23.4 | -31.1 | 0 | 0 | 0 | 108.3 | T23 T27 | T23-P25 WeakPolarHBondContact O-CD 3.41Å; P25-T27 PolarHBondContact O-N 3.38Å |
| 26 | L | 61.2 | Low | 62.5 | Low | 79 Ų | 79 | 111 Ų | 111 | 41% | 0.414 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -54 | 130.5 | 173.1 | -68.5 | 168.5 | 0 | 0 | 0 | 108 | A24 Q30 V34 V82 | A24-L26 PolarHBondContact O-N 2.85Å; L26-Q30 HydrophobicContact CB-CB 4.26Å; L26-Q30 HydrophobicContact CD2-CB 4.18Å; L26-V34 HydrophobicContact CD1-CG2 4.44Å; L26-V82 HydrophobicContact CD2-CG1 3.56Å |
| 27 | T | 68.2 | Low | 62.4 | Low | 81 Ų | 81 | 106 Ų | 106 | 50% | 0.497 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 150.7 | 172.6 | 58.3 | 0 | 0 | 0 | 0 | 109.4 | P25 R29 Q30 T31 | P25-T27 PolarHBondContact O-N 3.38Å; T27-R29 PolarHBondContact O-N 2.84Å; T27-Q30 WeakPolarHBondContact O-CA 3.41Å; T27-Q30 WeakPolarHBondContact O-CB 3.46Å; T27-Q30 PolarHBondContact O-N 3.13Å; T27-Q30 WeakPolarHBondContact OG1-CG 3.42Å; T27-Q30 PolarHBondContact OG1-OE1 3.24Å; T27-T31 PolarHBondContact O-N 2.91Å; T27-T31 PolarHBondContact O-OG1 2.97Å |
| 28 | D | 70.6 | Confident | 62.4 | Low | 138 Ų | 138 | 105.4 Ų | 105.4 | 74% | 0.738 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -50.7 | -38.1 | -175.1 | -62.5 | -35.9 | 0 | 0 | 0 | 112.7 | Q30 T31 D32 | D28-Q30 VanDerWaalsContact C-N 3.35Å; D28-Q30 PolarHBondContact O-N 3.42Å; D28-T31 WeakPolarHBondContact O-CB 3.5Å; D28-T31 PolarHBondContact O-N 3.44Å; D28-D32 PolarHBondContact O-N 3.39Å |
| 29 | R | 65.9 | Low | 63.1 | Low | 213 Ų | 213 | 98 Ų | 98 | 80% | 0.804 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.3 | -33.4 | 176.7 | -171.1 | 176.5 | -179.5 | 158.5 | 2.3 | 113.8 | T27 S33 | T27-R29 PolarHBondContact O-N 2.84Å; R29-S33 PolarHBondContact O-N 3.41Å; R29-S33 PolarHBondContact O-OG 3.26Å |
| 30 | Q | 66.9 | Low | 63.6 | Low | 37 Ų | 37 | 94.5 Ų | 94.5 | 17% | 0.173 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -76.2 | -34.1 | 175.8 | -69.2 | 161.3 | -29.8 | 0 | 0 | 110.9 | L26 T27 D28 S33 V34 W78 V82 | L26-Q30 HydrophobicContact CB-CB 4.26Å; L26-Q30 HydrophobicContact CD2-CB 4.18Å; T27-Q30 WeakPolarHBondContact O-CA 3.41Å; T27-Q30 WeakPolarHBondContact O-CB 3.46Å; T27-Q30 PolarHBondContact O-N 3.13Å; T27-Q30 WeakPolarHBondContact OG1-CG 3.42Å; T27-Q30 PolarHBondContact OG1-OE1 3.24Å; D28-Q30 VanDerWaalsContact C-N 3.35Å; D28-Q30 PolarHBondContact O-N 3.42Å; Q30-S33 PolarHBondContact O-N 3.42Å; Q30-V34 VanDerWaalsContact O-CG2 3.31Å; Q30-V34 WeakPolarHBondContact O-CG2 3.12Å; Q30-V34 PolarHBondContact O-N 2.93Å; Q30-W78 HydrophobicContact CB-CH2 3.79Å; Q30-W78 HydrophobicContact CB-CZ2 4.07Å; Q30-W78 HydrophobicContact CG-CH2 3.91Å; Q30-W78 HydrophobicContact CG-CZ2 3.72Å; Q30-V82 HydrophobicContact CG-CG1 4.39Å; Q30-V82 HydrophobicContact CG-CG2 4.04Å |
| 31 | T | 71.1 | Confident | 64.3 | Low | 53 Ų | 53 | 92.3 Ų | 92.3 | 33% | 0.325 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -42.7 | 174.9 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | T27 D28 S33 V34 L35 | T27-T31 PolarHBondContact O-N 2.91Å; T27-T31 PolarHBondContact O-OG1 2.97Å; D28-T31 WeakPolarHBondContact O-CB 3.5Å; D28-T31 PolarHBondContact O-N 3.44Å; T31-S33 PolarHBondContact O-N 3.5Å; T31-V34 PolarHBondContact O-N 2.97Å; T31-L35 HydrophobicContact CG2-CD1 4.24Å; T31-L35 WeakPolarHBondContact O-CB 3.31Å; T31-L35 PolarHBondContact O-N 3.26Å |
| 32 | D | 67 | Low | 64.7 | Low | 109 Ų | 109 | 93.8 Ų | 93.8 | 58% | 0.583 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.8 | -45.2 | 175 | -74.6 | -18 | 0 | 0 | 0 | 112 | D28 V34 L35 E36 | D28-D32 PolarHBondContact O-N 3.39Å; D32-V34 VanDerWaalsContact C-N 3.33Å; D32-V34 PolarHBondContact O-N 2.93Å; D32-L35 WeakPolarHBondContact O-CB 3.39Å; D32-L35 PolarHBondContact O-N 3.39Å; D32-E36 PolarHBondContact O-N 3.24Å |
| 33 | S | 68.3 | Low | 64.8 | Low | 43 Ų | 43 | 96.9 Ų | 96.9 | 30% | 0.301 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.7 | -35.5 | 176.4 | -60.9 | 0 | 0 | 0 | 0 | 112.8 | R29 Q30 T31 L37 | R29-S33 PolarHBondContact O-N 3.41Å; R29-S33 PolarHBondContact O-OG 3.26Å; Q30-S33 PolarHBondContact O-N 3.42Å; T31-S33 PolarHBondContact O-N 3.5Å; S33-L37 WeakPolarHBondContact O-CD1 3.24Å; S33-L37 VanDerWaalsContact O-CG 3.3Å; S33-L37 WeakPolarHBondContact O-CG 3.43Å; S33-L37 PolarHBondContact O-N 3.41Å; S33-L37 VanDerWaalsContact O-N 3.14Å |
| 34 | V | 67.8 | Low | 65 | Low | 37 Ų | 37 | 96.2 Ų | 96.2 | 22% | 0.224 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -68.8 | -38.5 | 174.4 | 169 | 0 | 0 | 0 | 0 | 111.3 | L26 Q30 T31 D32 L37 K38 F75 W78 | L26-V34 HydrophobicContact CD1-CG2 4.44Å; Q30-V34 VanDerWaalsContact O-CG2 3.31Å; Q30-V34 WeakPolarHBondContact O-CG2 3.12Å; Q30-V34 PolarHBondContact O-N 2.93Å; T31-V34 PolarHBondContact O-N 2.97Å; D32-V34 VanDerWaalsContact C-N 3.33Å; D32-V34 PolarHBondContact O-N 2.93Å; V34-L37 PolarHBondContact O-N 3.33Å; V34-K38 HydrophobicContact CG1-CD 4.42Å; V34-K38 WeakPolarHBondContact O-CG 3.48Å; V34-K38 PolarHBondContact O-N 2.75Å; V34-F75 HydrophobicContact CG2-CZ 4.36Å; V34-W78 HydrophobicContact CG2-CH2 4.39Å; V34-W78 HydrophobicContact CG2-CZ3 4.27Å |
| 35 | L | 68.5 | Low | 64.8 | Low | 105 Ų | 105 | 99.1 Ų | 99.1 | 55% | 0.55 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 175.3 | -96.9 | 154 | 0 | 0 | 0 | 112 | T31 D32 L37 K38 A39 | T31-L35 HydrophobicContact CG2-CD1 4.24Å; T31-L35 WeakPolarHBondContact O-CB 3.31Å; T31-L35 PolarHBondContact O-N 3.26Å; D32-L35 WeakPolarHBondContact O-CB 3.39Å; D32-L35 PolarHBondContact O-N 3.39Å; L35-L37 VanDerWaalsContact C-N 3.33Å; L35-L37 PolarHBondContact O-N 3.32Å; L35-K38 PolarHBondContact O-N 2.96Å; L35-A39 WeakPolarHBondContact O-CB 3.5Å; L35-A39 PolarHBondContact O-N 3.17Å |
| 36 | E | 72 | Confident | 64.5 | Low | 144 Ų | 144 | 98.9 Ų | 98.9 | 67% | 0.673 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.4 | -42.3 | 176.2 | -171.7 | 179.5 | -174.5 | 0 | 0 | 111.6 | D32 A39 A40 | D32-E36 PolarHBondContact O-N 3.24Å; E36-A39 PolarHBondContact O-N 2.89Å; E36-A40 WeakPolarHBondContact O-CB 3.41Å; E36-A40 PolarHBondContact O-N 3.49Å |
| 37 | L | 67.3 | Low | 64 | Low | 80 Ų | 80 | 98.8 Ų | 98.8 | 42% | 0.419 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.7 | -38.4 | 177.1 | -73.7 | 166.1 | 0 | 0 | 0 | 113 | S33 V34 L35 A40 A41 F75 | S33-L37 WeakPolarHBondContact O-CD1 3.24Å; S33-L37 VanDerWaalsContact O-CG 3.3Å; S33-L37 WeakPolarHBondContact O-CG 3.43Å; S33-L37 PolarHBondContact O-N 3.41Å; S33-L37 VanDerWaalsContact O-N 3.14Å; V34-L37 PolarHBondContact O-N 3.33Å; L35-L37 VanDerWaalsContact C-N 3.33Å; L35-L37 PolarHBondContact O-N 3.32Å; L37-A40 PolarHBondContact O-N 3.37Å; L37-A41 WeakPolarHBondContact O-CB 3.28Å; L37-A41 PolarHBondContact O-N 3.09Å; L37-F75 HydrophobicContact CD1-CD2 3.71Å; L37-F75 HydrophobicContact CD1-CE1 4.12Å; L37-F75 HydrophobicContact CD1-CE2 3.05Å; L37-F75 HydrophobicContact CD1-CG 4.48Å; L37-F75 HydrophobicContact CD1-CZ 3.29Å |
| 38 | K | 65.4 | Low | 63.1 | Low | 142 Ų | 142 | 98 Ų | 98 | 62% | 0.617 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.1 | -44.9 | 173.4 | -78.3 | -174.9 | 175.6 | -165.2 | 0 | 111 | V34 L35 A40 A41 E42 | V34-K38 HydrophobicContact CG1-CD 4.42Å; V34-K38 WeakPolarHBondContact O-CG 3.48Å; V34-K38 PolarHBondContact O-N 2.75Å; L35-K38 PolarHBondContact O-N 2.96Å; K38-A40 VanDerWaalsContact C-N 3.31Å; K38-A40 PolarHBondContact O-N 3.38Å; K38-A41 PolarHBondContact O-N 3.49Å; K38-E42 WeakPolarHBondContact O-CB 3.44Å; K38-E42 PolarHBondContact O-N 2.95Å |
| 39 | A | 68.4 | Low | 62.3 | Low | 56 Ų | 56 | 99.9 Ų | 99.9 | 46% | 0.463 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62 | -40 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L35 E36 E42 N43 | L35-A39 WeakPolarHBondContact O-CB 3.5Å; L35-A39 PolarHBondContact O-N 3.17Å; E36-A39 PolarHBondContact O-N 2.89Å; A39-E42 PolarHBondContact O-N 3.14Å; A39-N43 WeakPolarHBondContact O-CB 3.38Å; A39-N43 PolarHBondContact O-N 3.29Å; A39-N43 VanDerWaalsContact O-N 3.08Å |
| 40 | A | 63.9 | Low | 61.7 | Low | 57 Ų | 57 | 97.1 Ų | 97.1 | 47% | 0.471 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.2 | -37.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E36 L37 K38 N43 L44 | E36-A40 WeakPolarHBondContact O-CB 3.41Å; E36-A40 PolarHBondContact O-N 3.49Å; L37-A40 PolarHBondContact O-N 3.37Å; K38-A40 VanDerWaalsContact C-N 3.31Å; K38-A40 PolarHBondContact O-N 3.38Å; A40-N43 PolarHBondContact O-N 2.69Å; A40-L44 PolarHBondContact O-N 2.85Å |
| 41 | A | 63.6 | Low | 60.8 | Low | 60 Ų | 60 | 103.3 Ų | 103.3 | 50% | 0.496 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.9 | -34.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L37 K38 N43 L44 | L37-A41 WeakPolarHBondContact O-CB 3.28Å; L37-A41 PolarHBondContact O-N 3.09Å; K38-A41 PolarHBondContact O-N 3.49Å; A41-N43 VanDerWaalsContact C-N 3.32Å; A41-L44 WeakPolarHBondContact O-CB 3.44Å; A41-L44 PolarHBondContact O-N 3.47Å |
| 42 | E | 59.8 | Low | 59.9 | Low | 171 Ų | 171 | 102.6 Ų | 102.6 | 80% | 0.799 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -77 | -22.1 | 176.2 | -156.6 | 160.8 | -145 | 0 | 0 | 112.3 | K38 A39 L44 | K38-E42 WeakPolarHBondContact O-CB 3.44Å; K38-E42 PolarHBondContact O-N 2.95Å; A39-E42 PolarHBondContact O-N 3.14Å; E42-L44 VanDerWaalsContact C-N 3.32Å |
| 43 | N | 58.7 | Low | 59.1 | Low | 140 Ų | 140 | 101.8 Ų | 101.8 | 75% | 0.749 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -9.1 | 170.2 | -129 | -39.4 | 0 | 0 | 0 | 113.2 | A39 A40 A41 | A39-N43 WeakPolarHBondContact O-CB 3.38Å; A39-N43 PolarHBondContact O-N 3.29Å; A39-N43 VanDerWaalsContact O-N 3.08Å; A40-N43 PolarHBondContact O-N 2.69Å; A41-N43 VanDerWaalsContact C-N 3.32Å |
| 44 | L | 55.3 | Low | 58.6 | Low | 105 Ų | 105 | 108.1 Ų | 108.1 | 55% | 0.55 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -68.8 | 127.4 | 168.5 | -74.4 | 167.8 | 0 | 0 | 0 | 107.4 | A40 A41 E42 V46 | A40-L44 PolarHBondContact O-N 2.85Å; A41-L44 WeakPolarHBondContact O-CB 3.44Å; A41-L44 PolarHBondContact O-N 3.47Å; E42-L44 VanDerWaalsContact C-N 3.32Å; L44-V46 PolarHBondContact O-N 3.24Å |
| 45 | P | 52.3 | Low | 58.1 | Low | 112 Ų | 112 | 113 Ų | 113 | 73% | 0.727 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -57 | 116.1 | 174.3 | 22.6 | -30.5 | 0 | 0 | 0 | 107.6 | P47 | P45-P47 WeakPolarHBondContact O-CD 3.35Š|
| 46 | V | 51.8 | Low | 57.5 | Low | 115 Ų | 115 | 112.6 Ų | 112.6 | 70% | 0.697 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 118 | 169.6 | 177.3 | 0 | 0 | 0 | 0 | 105.5 | L44 A48 | L44-V46 PolarHBondContact O-N 3.24Å; V46-A48 PolarHBondContact O-N 2.88Å |
| 47 | P | 50.6 | Low | 56.8 | Low | 76 Ų | 76 | 109 Ų | 109 | 49% | 0.494 | 61% | 0.613 | S | S | . | * | trans | -62.1 | 108.3 | -179.5 | 23.8 | -29.8 | 0 | 0 | 0 | 105.6 | P45 E49 M60 | P45-P47 WeakPolarHBondContact O-CD 3.35Å; P47-E49 PolarHBondContact O-N 3.43Å; P47-M60 HydrophobicContact CB-CE 4.28Å | ||
| 48 | A | 50.1 | Low | 56.4 | Low | 65 Ų | 65 | 113.6 Ų | 113.6 | 54% | 0.537 | 63% | 0.63 | S | S | . | * | trans | -50.6 | 109.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | V46 D50 M51 | V46-A48 PolarHBondContact O-N 2.88Å; A48-D50 PolarHBondContact O-N 3.37Å; A48-M51 PolarHBondContact O-N 2.91Å | ||
| 49 | E | 52.7 | Low | 56 | Low | 177 Ų | 177 | 110.3 Ų | 110.3 | 83% | 0.827 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -8.3 | -174.8 | -70.4 | 159.7 | 131.4 | 0 | 0 | 111.7 | P47 | P47-E49 PolarHBondContact O-N 3.43Š|
| 50 | D | 55 | Low | 55.5 | Low | 155 Ų | 155 | 111.2 Ų | 111.2 | 83% | 0.829 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 1.5 | -172.1 | -64.6 | -39.3 | 0 | 0 | 0 | 115.8 | A48 | A48-D50 PolarHBondContact O-N 3.37Š|
| 51 | M | 47.9 | Very low | 55.3 | Low | 167 Ų | 167 | 114.6 Ų | 114.6 | 82% | 0.823 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -129 | 32.2 | -177.7 | -70 | -160.5 | 84.2 | 0 | 0 | 115.7 | A48 | A48-M51 PolarHBondContact O-N 2.91Š|
| 52 | V | 50.9 | Low | 55.2 | Low | 38 Ų | 38 | 113.8 Ų | 113.8 | 23% | 0.23 | 62% | 0.617 | C | S | . | * | trans | -114 | 112.2 | 173.3 | -159.6 | 0 | 0 | 0 | 0 | 111.1 | E54 D56 L57 M60 | V52-E54 PolarHBondContact O-N 3.41Å; V52-D56 HydrophobicContact CG1-CB 4.33Å; V52-L57 HydrophobicContact CB-CD1 3.75Å; V52-L57 HydrophobicContact CB-CG 3.64Å; V52-L57 HydrophobicContact CG1-CB 3.93Å; V52-L57 HydrophobicContact CG1-CD1 3.97Å; V52-L57 HydrophobicContact CG1-CG 3.48Å; V52-L57 VanDerWaalsContact CG1-CG 3.48Å; V52-L57 HydrophobicContact CG2-CG 4.34Å; V52-M60 HydrophobicContact CG2-CE 3.63Å | ||
| 53 | P | 51 | Low | 55.2 | Low | 93 Ų | 93 | 111.9 Ų | 111.9 | 60% | 0.604 | 61% | 0.608 | S | S | * | * | trans | -60.7 | 132.4 | 164.7 | 24.6 | -29.8 | 0 | 0 | 0 | 108.6 | V55 D56 | P53-V55 PolarHBondContact O-N 2.95Å; P53-D56 PolarHBondContact O-N 3.49Å | ||
| 54 | E | 56.5 | Low | 55.3 | Low | 175 Ų | 175 | 108.3 Ų | 108.3 | 82% | 0.818 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.3 | -19.4 | -169.2 | -166 | 166.8 | 179.6 | 0 | 0 | 115.5 | V52 | V52-E54 PolarHBondContact O-N 3.41Š|
| 55 | V | 58.6 | Low | 55.5 | Low | 140 Ų | 140 | 108.8 Ų | 108.8 | 85% | 0.848 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -35.6 | 175.8 | 157.5 | 0 | 0 | 0 | 0 | 113.9 | P53 | P53-V55 PolarHBondContact O-N 2.95Š|
| 56 | D | 56.3 | Low | 55.9 | Low | 97 Ų | 97 | 108.3 Ų | 108.3 | 52% | 0.519 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.8 | -11.4 | -176.6 | -138 | -2.3 | 0 | 0 | 0 | 112.8 | V52 P53 K58 S59 M60 | V52-D56 HydrophobicContact CG1-CB 4.33Å; P53-D56 PolarHBondContact O-N 3.49Å; D56-K58 VanDerWaalsContact C-N 3.28Å; D56-K58 PolarHBondContact O-N 3.5Å; D56-S59 PolarHBondContact O-N 3.07Å; D56-M60 WeakPolarHBondContact O-CB 3.33Å; D56-M60 PolarHBondContact O-N 3.08Å |
| 57 | L | 56.2 | Low | 56.2 | Low | 68 Ų | 68 | 105.7 Ų | 105.7 | 36% | 0.356 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -58.1 | -36.5 | 177.6 | -114 | 147.4 | 0 | 0 | 0 | 112.7 | V52 K61 | V52-L57 HydrophobicContact CB-CD1 3.75Å; V52-L57 HydrophobicContact CB-CG 3.64Å; V52-L57 HydrophobicContact CG1-CB 3.93Å; V52-L57 HydrophobicContact CG1-CD1 3.97Å; V52-L57 HydrophobicContact CG1-CG 3.48Å; V52-L57 VanDerWaalsContact CG1-CG 3.48Å; V52-L57 HydrophobicContact CG2-CG 4.34Å; L57-K61 WeakPolarHBondContact O-CB 3.04Å; L57-K61 PolarHBondContact O-N 3.16Å |
| 58 | K | 58.4 | Low | 56.6 | Low | 177 Ų | 177 | 107.4 Ų | 107.4 | 77% | 0.77 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -70.9 | -40 | 177.9 | -79.2 | -176.6 | 178.5 | -179.9 | 0 | 112.7 | D56 A62 | D56-K58 VanDerWaalsContact C-N 3.28Å; D56-K58 PolarHBondContact O-N 3.5Å; K58-A62 WeakPolarHBondContact O-CB 3.2Å; K58-A62 PolarHBondContact O-N 3.06Å |
| 59 | S | 57.2 | Low | 56.9 | Low | 73 Ų | 73 | 106.4 Ų | 106.4 | 51% | 0.51 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -71.1 | -42.6 | 180 | -147.7 | 0 | 0 | 0 | 0 | 110.4 | D56 A62 Q63 | D56-S59 PolarHBondContact O-N 3.07Å; S59-A62 PolarHBondContact O-N 2.62Å; S59-Q63 WeakPolarHBondContact O-CB 3.38Å; S59-Q63 PolarHBondContact O-N 3.34Å |
| 60 | M | 57.9 | Low | 57.1 | Low | 75 Ų | 75 | 103.6 Ų | 103.6 | 37% | 0.369 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.2 | -40.6 | 176.4 | -157.6 | 177.9 | 79.1 | 0 | 0 | 112.2 | P47 V52 D56 A62 Q63 V64 | P47-M60 HydrophobicContact CB-CE 4.28Å; V52-M60 HydrophobicContact CG2-CE 3.63Å; D56-M60 WeakPolarHBondContact O-CB 3.33Å; D56-M60 PolarHBondContact O-N 3.08Å; M60-A62 PolarHBondContact O-N 3.22Å; M60-Q63 PolarHBondContact O-N 2.76Å; M60-V64 WeakPolarHBondContact O-CB 3.49Å; M60-V64 VanDerWaalsContact O-CG2 3.28Å; M60-V64 WeakPolarHBondContact O-CG2 3.45Å; M60-V64 PolarHBondContact O-N 2.77Å |
| 61 | K | 60.5 | Low | 57.2 | Low | 128 Ų | 128 | 101.4 Ų | 101.4 | 56% | 0.557 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -58.8 | -46.6 | 170.5 | -101.7 | -162.8 | 171.9 | -165 | 0 | 111.5 | L57 Q63 V64 E65 | L57-K61 WeakPolarHBondContact O-CB 3.04Å; L57-K61 PolarHBondContact O-N 3.16Å; K61-Q63 VanDerWaalsContact C-N 3.26Å; K61-Q63 PolarHBondContact O-N 3.12Å; K61-V64 PolarHBondContact O-N 3.28Å; K61-E65 WeakPolarHBondContact O-CB 3.31Å; K61-E65 VanDerWaalsContact O-CG 3.26Å; K61-E65 WeakPolarHBondContact O-CG 3.47Å; K61-E65 PolarHBondContact O-N 3.36Å |
| 62 | A | 61.7 | Low | 57.7 | Low | 42 Ų | 42 | 95.7 Ų | 95.7 | 35% | 0.347 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.9 | -40.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111 | K58 S59 M60 I66 | K58-A62 WeakPolarHBondContact O-CB 3.2Å; K58-A62 PolarHBondContact O-N 3.06Å; S59-A62 PolarHBondContact O-N 2.62Å; M60-A62 PolarHBondContact O-N 3.22Å; A62-I66 VanDerWaalsContact O-CB 3.26Å; A62-I66 WeakPolarHBondContact O-CB 3.28Å; A62-I66 VanDerWaalsContact O-CD1 3.25Å; A62-I66 WeakPolarHBondContact O-CD1 3.33Å; A62-I66 WeakPolarHBondContact O-CG1 3.39Å; A62-I66 PolarHBondContact O-N 2.93Å |
| 63 | Q | 59.7 | Low | 58 | Low | 131 Ų | 131 | 98.9 Ų | 98.9 | 61% | 0.612 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -71.4 | -36.3 | 179.7 | -164 | 147.6 | 19.7 | 0 | 0 | 113.3 | S59 M60 K61 S67 | S59-Q63 WeakPolarHBondContact O-CB 3.38Å; S59-Q63 PolarHBondContact O-N 3.34Å; M60-Q63 PolarHBondContact O-N 2.76Å; K61-Q63 VanDerWaalsContact C-N 3.26Å; K61-Q63 PolarHBondContact O-N 3.12Å; Q63-S67 WeakPolarHBondContact O-CB 3.42Å; Q63-S67 PolarHBondContact O-N 3.45Å; Q63-S67 PolarHBondContact O-OG 3.01Å |
| 64 | V | 61.4 | Low | 58.5 | Low | 66 Ų | 66 | 98.9 Ų | 98.9 | 40% | 0.4 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.9 | -42.6 | 173.5 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | M60 K61 S67 L68 | M60-V64 WeakPolarHBondContact O-CB 3.49Å; M60-V64 VanDerWaalsContact O-CG2 3.28Å; M60-V64 WeakPolarHBondContact O-CG2 3.45Å; M60-V64 PolarHBondContact O-N 2.77Å; K61-V64 PolarHBondContact O-N 3.28Å; V64-S67 PolarHBondContact O-N 2.77Å; V64-L68 HydrophobicContact CG1-CD1 4Å; V64-L68 WeakPolarHBondContact O-CB 3.4Å; V64-L68 PolarHBondContact O-N 3.07Å |
| 65 | E | 58.8 | Low | 58.7 | Low | 115 Ų | 115 | 93.3 Ų | 93.3 | 54% | 0.537 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 173.8 | -77.1 | 174.9 | -173.6 | 0 | 0 | 111.4 | K61 A69 | K61-E65 WeakPolarHBondContact O-CB 3.31Å; K61-E65 VanDerWaalsContact O-CG 3.26Å; K61-E65 WeakPolarHBondContact O-CG 3.47Å; K61-E65 PolarHBondContact O-N 3.36Å; E65-A69 WeakPolarHBondContact O-CA 3.01Å; E65-A69 WeakPolarHBondContact O-CB 3.3Å; E65-A69 PolarHBondContact O-N 3.36Å |
| 66 | I | 61.3 | Low | 58.9 | Low | 101 Ų | 101 | 88.8 Ų | 88.8 | 52% | 0.518 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 172.5 | -71.5 | 161.1 | 0 | 0 | 0 | 109.9 | A62 A69 Q70 | A62-I66 VanDerWaalsContact O-CB 3.26Å; A62-I66 WeakPolarHBondContact O-CB 3.28Å; A62-I66 VanDerWaalsContact O-CD1 3.25Å; A62-I66 WeakPolarHBondContact O-CD1 3.33Å; A62-I66 WeakPolarHBondContact O-CG1 3.39Å; A62-I66 PolarHBondContact O-N 2.93Å; I66-A69 PolarHBondContact O-N 3.22Å; I66-Q70 HydrophobicContact CG2-CG 4.25Å; I66-Q70 WeakPolarHBondContact O-CB 3.42Å; I66-Q70 WeakPolarHBondContact O-CG 3.3Å; I66-Q70 PolarHBondContact O-N 3.46Å |
| 67 | S | 58 | Low | 59 | Low | 61 Ų | 61 | 87.7 Ų | 87.7 | 43% | 0.427 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.3 | -42.6 | 180 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | Q63 V64 Q70 L71 | Q63-S67 WeakPolarHBondContact O-CB 3.42Å; Q63-S67 PolarHBondContact O-N 3.45Å; Q63-S67 PolarHBondContact O-OG 3.01Å; V64-S67 PolarHBondContact O-N 2.77Å; S67-Q70 PolarHBondContact O-N 2.88Å; S67-L71 WeakPolarHBondContact O-CB 3.26Å; S67-L71 VanDerWaalsContact O-CG 3.3Å; S67-L71 WeakPolarHBondContact O-CG 3.38Å; S67-L71 PolarHBondContact O-N 2.92Å |
| 68 | L | 59.3 | Low | 59.2 | Low | 111 Ų | 111 | 88.4 Ų | 88.4 | 58% | 0.581 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.4 | -41.3 | 172 | -93.6 | 157 | 0 | 0 | 0 | 111.5 | V64 Q70 L71 S72 | V64-L68 HydrophobicContact CG1-CD1 4Å; V64-L68 WeakPolarHBondContact O-CB 3.4Å; V64-L68 PolarHBondContact O-N 3.07Å; L68-Q70 VanDerWaalsContact C-N 3.35Å; L68-L71 PolarHBondContact O-N 2.92Å; L68-S72 WeakPolarHBondContact O-CB 3.44Å; L68-S72 PolarHBondContact O-N 2.96Å; L68-S72 PolarHBondContact O-OG 3.36Å |
| 69 | A | 56.5 | Low | 59.3 | Low | 44 Ų | 44 | 83 Ų | 83 | 36% | 0.364 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.4 | -37.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E65 I66 S72 N73 | E65-A69 WeakPolarHBondContact O-CA 3.01Å; E65-A69 WeakPolarHBondContact O-CB 3.3Å; E65-A69 PolarHBondContact O-N 3.36Å; I66-A69 PolarHBondContact O-N 3.22Å; A69-S72 WeakPolarHBondContact CA-OG 3.49Å; A69-S72 PolarHBondContact O-OG 2.8Å; A69-N73 VanDerWaalsContact O-CB 3.26Å; A69-N73 WeakPolarHBondContact O-CB 3.19Å; A69-N73 PolarHBondContact O-N 3.35Å |
| 70 | Q | 56 | Low | 59.4 | Low | 118 Ų | 118 | 83.3 Ų | 83.3 | 55% | 0.551 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -68.7 | -44 | 175.8 | -74.8 | -71.2 | -46.7 | 0 | 0 | 112.2 | I66 S67 L68 N73 S74 | I66-Q70 HydrophobicContact CG2-CG 4.25Å; I66-Q70 WeakPolarHBondContact O-CB 3.42Å; I66-Q70 WeakPolarHBondContact O-CG 3.3Å; I66-Q70 PolarHBondContact O-N 3.46Å; S67-Q70 PolarHBondContact O-N 2.88Å; L68-Q70 VanDerWaalsContact C-N 3.35Å; Q70-N73 PolarHBondContact O-N 3.49Å; Q70-S74 PolarHBondContact O-N 2.96Å; Q70-S74 PolarHBondContact O-OG 2.95Å |
| 71 | L | 57.3 | Low | 59.2 | Low | 109 Ų | 109 | 87.5 Ų | 87.5 | 57% | 0.571 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.2 | -44.4 | 173.8 | -74 | 165.6 | 0 | 0 | 0 | 110.7 | S67 L68 S74 F75 | S67-L71 WeakPolarHBondContact O-CB 3.26Å; S67-L71 VanDerWaalsContact O-CG 3.3Å; S67-L71 WeakPolarHBondContact O-CG 3.38Å; S67-L71 PolarHBondContact O-N 2.92Å; L68-L71 PolarHBondContact O-N 2.92Å; L71-S74 PolarHBondContact O-N 3.36Å; L71-F75 VanDerWaalsContact O-CB 3.28Å; L71-F75 WeakPolarHBondContact O-CB 3.38Å; L71-F75 PolarHBondContact O-N 2.83Å |
| 72 | S | 58.3 | Low | 58.9 | Low | 47 Ų | 47 | 82.2 Ų | 82.2 | 33% | 0.329 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 176.2 | 79 | 0 | 0 | 0 | 0 | 111.9 | L68 A69 S74 F75 I76 | L68-S72 WeakPolarHBondContact O-CB 3.44Å; L68-S72 PolarHBondContact O-N 2.96Å; L68-S72 PolarHBondContact O-OG 3.36Å; A69-S72 WeakPolarHBondContact CA-OG 3.49Å; A69-S72 PolarHBondContact O-OG 2.8Å; S72-S74 PolarHBondContact O-N 2.74Å; S72-F75 CarbonylContact O-C 3.55Å; S72-F75 PolarHBondContact O-N 2.79Å; S72-I76 WeakPolarHBondContact O-CB 3.41Å; S72-I76 WeakPolarHBondContact O-CD1 3.06Å; S72-I76 WeakPolarHBondContact O-CG1 3.42Å; S72-I76 PolarHBondContact O-N 3.31Å |
| 73 | N | 57.9 | Low | 58.6 | Low | 106 Ų | 106 | 82 Ų | 82 | 57% | 0.567 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -65 | -28.9 | 177.5 | -92.5 | -0.1 | 0 | 0 | 0 | 112.9 | A69 Q70 P77 | A69-N73 VanDerWaalsContact O-CB 3.26Å; A69-N73 WeakPolarHBondContact O-CB 3.19Å; A69-N73 PolarHBondContact O-N 3.35Å; Q70-N73 PolarHBondContact O-N 3.49Å; N73-P77 WeakPolarHBondContact O-CD 3.13Å; N73-P77 VanDerWaalsContact O-CG 3.3Å; N73-P77 WeakPolarHBondContact O-CG 3.26Å |
| 74 | S | 61 | Low | 57.8 | Low | 92 Ų | 92 | 80.5 Ų | 80.5 | 64% | 0.643 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -76.4 | -27.9 | 173.6 | -58.6 | 0 | 0 | 0 | 0 | 112 | Q70 L71 S72 | Q70-S74 PolarHBondContact O-N 2.96Å; Q70-S74 PolarHBondContact O-OG 2.95Å; L71-S74 PolarHBondContact O-N 3.36Å; S72-S74 PolarHBondContact O-N 2.74Å |
| 75 | F | 60.4 | Low | 57.2 | Low | 59 Ų | 59 | 84.3 Ų | 84.3 | 26% | 0.259 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -100.3 | -29.5 | -173.2 | -160 | -118.3 | 0 | 0 | 0 | 114.3 | V34 L37 L71 S72 W78 I79 | V34-F75 HydrophobicContact CG2-CZ 4.36Å; L37-F75 HydrophobicContact CD1-CD2 3.71Å; L37-F75 HydrophobicContact CD1-CE1 4.12Å; L37-F75 HydrophobicContact CD1-CE2 3.05Å; L37-F75 HydrophobicContact CD1-CG 4.48Å; L37-F75 HydrophobicContact CD1-CZ 3.29Å; L71-F75 VanDerWaalsContact O-CB 3.28Å; L71-F75 WeakPolarHBondContact O-CB 3.38Å; L71-F75 PolarHBondContact O-N 2.83Å; S72-F75 CarbonylContact O-C 3.55Å; S72-F75 PolarHBondContact O-N 2.79Å; F75-W78 AromaticContact CD2-CE3 4Å; F75-W78 HydrophobicContact CD2-CE3 4Å; F75-W78 HydrophobicContact CE1-CE3 4.26Å; F75-W78 HydrophobicContact CE1-CZ3 4.28Å; F75-W78 HydrophobicContact CE2-CD2 4.03Å; F75-W78 AromaticContact CE2-CE3 3.27Å; F75-W78 HydrophobicContact CE2-CE3 3.27Å; F75-W78 HydrophobicContact CE2-CH2 4.37Å; F75-W78 AromaticContact CE2-CZ3 3.5Å; F75-W78 HydrophobicContact CE2-CZ3 3.5Å; F75-W78 VanDerWaalsContact CE2-CZ3 3.5Å; F75-W78 AromaticContact CZ-CE3 3.45Å; F75-W78 HydrophobicContact CZ-CE3 3.45Å; F75-W78 VanDerWaalsContact CZ-CE3 3.45Å; F75-W78 HydrophobicContact CZ-CH2 4.33Å; F75-W78 AromaticContact CZ-CZ3 3.31Å; F75-W78 HydrophobicContact CZ-CZ3 3.31Å; F75-W78 WeakPolarHBondContact O-CA 3.32Å; F75-W78 WeakPolarHBondContact O-CB 3.26Å; F75-W78 PolarHBondContact O-N 3.18Å; F75-W78 VanDerWaalsContact O-N 3.09Å; F75-I79 HydrophobicContact CD1-CD1 3.27Å; F75-I79 HydrophobicContact CD1-CG1 3.7Å; F75-I79 HydrophobicContact CE1-CD1 3.48Å; F75-I79 VanDerWaalsContact CE1-CD1 3.48Å; F75-I79 HydrophobicContact CE1-CG1 3.65Å; F75-I79 HydrophobicContact CG-CD1 4.27Å; F75-I79 HydrophobicContact CG-CG1 4.43Å; F75-I79 HydrophobicContact CZ-CG1 4.34Å; F75-I79 WeakPolarHBondContact O-CG1 3.3Å; F75-I79 PolarHBondContact O-N 2.93Å |
| 76 | I | 62.5 | Low | 57.1 | Low | 44 Ų | 44 | 82.8 Ų | 82.8 | 23% | 0.226 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -57.6 | -43.9 | 177.6 | -74.4 | 162.3 | 0 | 0 | 0 | 111.8 | W16 S72 W78 I79 I80 | W16-I76 HydrophobicContact CH2-CD1 4.46Å; S72-I76 WeakPolarHBondContact O-CB 3.41Å; S72-I76 WeakPolarHBondContact O-CD1 3.06Å; S72-I76 WeakPolarHBondContact O-CG1 3.42Å; S72-I76 PolarHBondContact O-N 3.31Å; I76-W78 VanDerWaalsContact C-N 3.28Å; I76-W78 PolarHBondContact O-N 2.79Å; I76-I79 PolarHBondContact O-N 2.72Å; I76-I80 HydrophobicContact CG2-CD1 3.55Å; I76-I80 HydrophobicContact CG2-CG1 4.25Å; I76-I80 WeakPolarHBondContact O-CB 3.2Å; I76-I80 WeakPolarHBondContact O-CG1 3.35Å; I76-I80 PolarHBondContact O-N 2.84Å |
| 77 | P | 58.8 | Low | 56.9 | Low | 75 Ų | 75 | 81.8 Ų | 81.8 | 49% | 0.487 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.5 | -35.3 | 175.9 | -20.1 | 31.6 | 0 | 0 | 0 | 112.3 | N73 K81 | N73-P77 WeakPolarHBondContact O-CD 3.13Å; N73-P77 VanDerWaalsContact O-CG 3.3Å; N73-P77 WeakPolarHBondContact O-CG 3.26Å; P77-K81 VanDerWaalsContact O-CB 3.26Å; P77-K81 WeakPolarHBondContact O-CB 3.19Å; P77-K81 PolarHBondContact O-N 3.39Å |
| 78 | W | 61 | Low | 56.9 | Low | 82 Ų | 82 | 82.9 Ų | 82.9 | 31% | 0.311 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.9 | -49.3 | 176.2 | -175.2 | 85.1 | 0 | 0 | 0 | 110.6 | Q30 V34 F75 I76 I80 K81 V82 | Q30-W78 HydrophobicContact CB-CH2 3.79Å; Q30-W78 HydrophobicContact CB-CZ2 4.07Å; Q30-W78 HydrophobicContact CG-CH2 3.91Å; Q30-W78 HydrophobicContact CG-CZ2 3.72Å; V34-W78 HydrophobicContact CG2-CH2 4.39Å; V34-W78 HydrophobicContact CG2-CZ3 4.27Å; F75-W78 AromaticContact CD2-CE3 4Å; F75-W78 HydrophobicContact CD2-CE3 4Å; F75-W78 HydrophobicContact CE1-CE3 4.26Å; F75-W78 HydrophobicContact CE1-CZ3 4.28Å; F75-W78 HydrophobicContact CE2-CD2 4.03Å; F75-W78 AromaticContact CE2-CE3 3.27Å; F75-W78 HydrophobicContact CE2-CE3 3.27Å; F75-W78 HydrophobicContact CE2-CH2 4.37Å; F75-W78 AromaticContact CE2-CZ3 3.5Å; F75-W78 HydrophobicContact CE2-CZ3 3.5Å; F75-W78 VanDerWaalsContact CE2-CZ3 3.5Å; F75-W78 AromaticContact CZ-CE3 3.45Å; F75-W78 HydrophobicContact CZ-CE3 3.45Å; F75-W78 VanDerWaalsContact CZ-CE3 3.45Å; F75-W78 HydrophobicContact CZ-CH2 4.33Å; F75-W78 AromaticContact CZ-CZ3 3.31Å; F75-W78 HydrophobicContact CZ-CZ3 3.31Å; F75-W78 WeakPolarHBondContact O-CA 3.32Å; F75-W78 WeakPolarHBondContact O-CB 3.26Å; F75-W78 PolarHBondContact O-N 3.18Å; F75-W78 VanDerWaalsContact O-N 3.09Å; I76-W78 VanDerWaalsContact C-N 3.28Å; I76-W78 PolarHBondContact O-N 2.79Å; W78-I80 VanDerWaalsContact C-N 3.34Å; W78-I80 PolarHBondContact O-N 2.85Å; W78-K81 CarbonylContact O-C 3.57Å; W78-K81 WeakPolarHBondContact O-CB 3.28Å; W78-K81 PolarHBondContact O-N 2.94Å; W78-K81 VanDerWaalsContact O-N 3.08Å; W78-V82 HydrophobicContact CD2-CG2 3.9Å; W78-V82 HydrophobicContact CE3-CG2 3.99Å; W78-V82 HydrophobicContact CG-CG2 4.49Å; W78-V82 HydrophobicContact CH2-CG2 4.31Å; W78-V82 HydrophobicContact CZ2-CG2 4.22Å; W78-V82 HydrophobicContact CZ3-CG2 4.18Å; W78-V82 WeakPolarHBondContact O-CG2 3.25Å; W78-V82 PolarHBondContact O-N 3.21Å |
| 79 | I | 60.6 | Low | 56.7 | Low | 63 Ų | 63 | 81.3 Ų | 81.3 | 32% | 0.323 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -55.7 | -46.9 | 174 | -68.9 | 170 | 0 | 0 | 0 | 111.1 | F75 I76 K81 V82 V83 | F75-I79 HydrophobicContact CD1-CD1 3.27Å; F75-I79 HydrophobicContact CD1-CG1 3.7Å; F75-I79 HydrophobicContact CE1-CD1 3.48Å; F75-I79 VanDerWaalsContact CE1-CD1 3.48Å; F75-I79 HydrophobicContact CE1-CG1 3.65Å; F75-I79 HydrophobicContact CG-CD1 4.27Å; F75-I79 HydrophobicContact CG-CG1 4.43Å; F75-I79 HydrophobicContact CZ-CG1 4.34Å; F75-I79 WeakPolarHBondContact O-CG1 3.3Å; F75-I79 PolarHBondContact O-N 2.93Å; I76-I79 PolarHBondContact O-N 2.72Å; I79-K81 VanDerWaalsContact C-N 3.29Å; I79-K81 PolarHBondContact O-N 3.21Å; I79-V82 WeakPolarHBondContact O-CB 3.41Å; I79-V82 PolarHBondContact O-N 3.3Å; I79-V83 HydrophobicContact CG2-CG2 4.27Å; I79-V83 WeakPolarHBondContact O-CB 3.04Å; I79-V83 VanDerWaalsContact O-CG2 3.31Å; I79-V83 WeakPolarHBondContact O-CG2 3.32Å; I79-V83 PolarHBondContact O-N 2.96Å |
| 80 | I | 59.2 | Low | 56.7 | Low | 81 Ų | 81 | 83.6 Ų | 83.6 | 42% | 0.415 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 178.3 | -69.6 | 167.6 | 0 | 0 | 0 | 110.3 | I76 W78 V83 C84 | I76-I80 HydrophobicContact CG2-CD1 3.55Å; I76-I80 HydrophobicContact CG2-CG1 4.25Å; I76-I80 WeakPolarHBondContact O-CB 3.2Å; I76-I80 WeakPolarHBondContact O-CG1 3.35Å; I76-I80 PolarHBondContact O-N 2.84Å; W78-I80 VanDerWaalsContact C-N 3.34Å; W78-I80 PolarHBondContact O-N 2.85Å; I80-V83 PolarHBondContact O-N 3.39Å; I80-C84 WeakPolarHBondContact O-CB 3.45Å; I80-C84 PolarHBondContact O-N 2.79Å; I80-C84 PolarHBondContact O-SG 2.92Å; I80-C84 VanDerWaalsContact O-SG 3.34Å |
| 81 | K | 53.9 | Low | 56.8 | Low | 162 Ų | 162 | 81.3 Ų | 81.3 | 70% | 0.704 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -69.5 | -31.9 | 177.9 | -166.2 | 171.7 | 177.6 | 70.9 | 0 | 112.9 | P77 W78 I79 S85 | P77-K81 VanDerWaalsContact O-CB 3.26Å; P77-K81 WeakPolarHBondContact O-CB 3.19Å; P77-K81 PolarHBondContact O-N 3.39Å; W78-K81 CarbonylContact O-C 3.57Å; W78-K81 WeakPolarHBondContact O-CB 3.28Å; W78-K81 PolarHBondContact O-N 2.94Å; W78-K81 VanDerWaalsContact O-N 3.08Å; I79-K81 VanDerWaalsContact C-N 3.29Å; I79-K81 PolarHBondContact O-N 3.21Å; K81-S85 VanDerWaalsContact O-CB 3.24Å; K81-S85 WeakPolarHBondContact O-CB 3.45Å |
| 82 | V | 53.8 | Low | 56.7 | Low | 17 Ų | 17 | 79.4 Ų | 79.4 | 10% | 0.103 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -69.1 | -43.2 | 173.3 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | L26 Q30 W78 I79 | L26-V82 HydrophobicContact CD2-CG1 3.56Å; Q30-V82 HydrophobicContact CG-CG1 4.39Å; Q30-V82 HydrophobicContact CG-CG2 4.04Å; W78-V82 HydrophobicContact CD2-CG2 3.9Å; W78-V82 HydrophobicContact CE3-CG2 3.99Å; W78-V82 HydrophobicContact CG-CG2 4.49Å; W78-V82 HydrophobicContact CH2-CG2 4.31Å; W78-V82 HydrophobicContact CZ2-CG2 4.22Å; W78-V82 HydrophobicContact CZ3-CG2 4.18Å; W78-V82 WeakPolarHBondContact O-CG2 3.25Å; W78-V82 PolarHBondContact O-N 3.21Å; I79-V82 WeakPolarHBondContact O-CB 3.41Å; I79-V82 PolarHBondContact O-N 3.3Å |
| 83 | V | 54.5 | Low | 56.6 | Low | 37 Ų | 37 | 81.8 Ų | 81.8 | 22% | 0.224 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -78.4 | -33.1 | -175.7 | 166.9 | 0 | 0 | 0 | 0 | 112.9 | T22 I79 I80 | T22-V83 HydrophobicContact CG2-CB 4.3Å; T22-V83 HydrophobicContact CG2-CG1 3.32Å; T22-V83 HydrophobicContact CG2-CG2 3.95Å; I79-V83 HydrophobicContact CG2-CG2 4.27Å; I79-V83 WeakPolarHBondContact O-CB 3.04Å; I79-V83 VanDerWaalsContact O-CG2 3.31Å; I79-V83 WeakPolarHBondContact O-CG2 3.32Å; I79-V83 PolarHBondContact O-N 2.96Å; I80-V83 PolarHBondContact O-N 3.39Å |
| 84 | C | 43.6 | Very low | 56.5 | Low | 101 Ų | 101 | 79.8 Ų | 79.8 | 68% | 0.682 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 7.2 | -177.8 | -64.4 | 0 | 0 | 0 | 0 | 114 | I80 | I80-C84 WeakPolarHBondContact O-CB 3.45Å; I80-C84 PolarHBondContact O-N 2.79Å; I80-C84 PolarHBondContact O-SG 2.92Å; I80-C84 VanDerWaalsContact O-SG 3.34Å |
| 85 | S | 48.6 | Very low | 56.1 | Low | 145 Ų | 145 | 78.7 Ų | 78.7 | 100% | 1.014 | 43% | 0.432 | S | S | * | . | trans | -111.9 | 0 | 177.8 | -169.6 | 0 | 0 | 0 | 0 | 111.3 | K81 | K81-S85 VanDerWaalsContact O-CB 3.24Å; K81-S85 WeakPolarHBondContact O-CB 3.45Å |
Retrieved 85 of 85 residues in 541.3 ms
(Link to these results)