| 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 | 43.3 | Very low | 50.3 | Low | 235 Ų | 235 | 145.4 Ų | 145.4 | 100% | 1.158 | 83% | 0.825 | S | S | * | * | 0 | 94.1 | 0 | -65.6 | -108.9 | -157.6 | 0 | 0 | 107.4 | L3 | M1-L3 PolarHBondContact O-N 3.47Š| |||
| 2 | L | 41.1 | Very low | 51.1 | Low | 185 Ų | 185 | 139.8 Ų | 139.8 | 97% | 0.969 | 82% | 0.823 | S | S | * | * | trans | -84.1 | 100.5 | 178.1 | -77.6 | 158.8 | 0 | 0 | 0 | 107.8 | A4 | L2-A4 PolarHBondContact O-N 3.2Š| ||
| 3 | L | 45.1 | Very low | 53.1 | Low | 164 Ų | 164 | 144.8 Ų | 144.8 | 86% | 0.859 | 82% | 0.819 | S | S | * | * | trans | -71 | 115 | 168.5 | -95.4 | 88.5 | 0 | 0 | 0 | 108.4 | M1 | M1-L3 PolarHBondContact O-N 3.47Š| ||
| 4 | A | 47.4 | Very low | 55.2 | Low | 89 Ų | 89 | 143.5 Ų | 143.5 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 138.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | L2 | L2-A4 PolarHBondContact O-N 3.2Š|
| 5 | P | 49.8 | Very low | 56.8 | Low | 115 Ų | 115 | 138.5 Ų | 138.5 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 149.2 | -178.9 | 27.5 | -33.2 | 0 | 0 | 0 | 111 | S7 | P5-S7 PolarHBondContact O-N 3.45Š|
| 6 | P | 51.9 | Low | 58.7 | Low | 118 Ų | 118 | 133.9 Ų | 133.9 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 121.4 | 173.6 | 27.1 | -32.8 | 0 | 0 | 0 | 108.7 | T8 | P6-T8 PolarHBondContact O-N 3.04Š|
| 7 | S | 52.4 | Low | 60.5 | Low | 117 Ų | 117 | 130.1 Ų | 130.1 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -59.4 | 101 | 171.4 | 54.5 | 0 | 0 | 0 | 0 | 108.5 | P5 | P5-S7 PolarHBondContact O-N 3.45Š| ||
| 8 | T | 57.2 | Low | 62 | Low | 121 Ų | 121 | 128.3 Ų | 128.3 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 126 | 172.3 | 51.9 | 0 | 0 | 0 | 0 | 108.2 | P6 S10 | P6-T8 PolarHBondContact O-N 3.04Å; T8-S10 PolarHBondContact O-N 3.41Å; T8-S10 VanDerWaalsContact O-N 3.07Å |
| 9 | P | 56.2 | Low | 63.4 | Low | 107 Ų | 107 | 126.8 Ų | 126.8 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 117.3 | 173.9 | 25 | -31.6 | 0 | 0 | 0 | 107.8 | R11 | P9-R11 PolarHBondContact O-N 3.05Š|
| 10 | S | 50.7 | Low | 64.8 | Low | 84 Ų | 84 | 128.7 Ų | 128.7 | 59% | 0.587 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 119.6 | 174.6 | 78 | 0 | 0 | 0 | 0 | 107.5 | T8 G12 R13 | T8-S10 PolarHBondContact O-N 3.41Å; T8-S10 VanDerWaalsContact O-N 3.07Å; S10-G12 PolarHBondContact O-N 3.12Å; S10-R13 PolarHBondContact O-N 3.06Å |
| 11 | R | 58.1 | Low | 65.9 | Low | 264 Ų | 264 | 128.5 Ų | 128.5 | 100% | 0.996 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 33 | -169.9 | -156.8 | -179.5 | -169.5 | -173.6 | 2.8 | 114.6 | P9 | P9-R11 PolarHBondContact O-N 3.05Š|
| 12 | G | 60.2 | Low | 68.1 | Low | 78 Ų | 78 | 120 Ų | 120 | 80% | 0.804 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.7 | -0.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S10 | S10-G12 PolarHBondContact O-N 3.12Š|
| 13 | R | 76.4 | Confident | 70.4 | Confident | 205 Ų | 205 | 114.9 Ų | 114.9 | 77% | 0.774 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -101 | 129.7 | 177.3 | -167.5 | 176.1 | -179.1 | -169.2 | 1.1 | 110.1 | S10 | S10-R13 PolarHBondContact O-N 3.06Š|
| 14 | T | 82.6 | Confident | 72.6 | Confident | 127 Ų | 127 | 111 Ų | 111 | 78% | 0.779 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 125.2 | 169.8 | 43.3 | 0 | 0 | 0 | 0 | 108.9 | S16 | T14-S16 PolarHBondContact O-N 3.38Š|
| 15 | P | 80.3 | Confident | 74.8 | Confident | 68 Ų | 68 | 109 Ų | 109 | 44% | 0.442 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -64.4 | 138.3 | -177 | 25.1 | -33.1 | 0 | 0 | 0 | 109.8 | E19 R20 | P15-E19 WeakPolarHBondContact CA-OE2 3.38Å; P15-E19 HydrophobicContact CB-CB 4.39Å; P15-E19 HydrophobicContact CB-CG 4.28Å; P15-R20 HydrophobicContact CB-CG 4.01Å; P15-R20 HydrophobicContact CG-CG 3.9Å |
| 16 | S | 86.8 | Confident | 76.6 | Confident | 65 Ų | 65 | 107 Ų | 107 | 46% | 0.455 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -62.7 | 153.8 | 178.7 | 177 | 0 | 0 | 0 | 0 | 110.5 | T14 V18 E19 R20 | T14-S16 PolarHBondContact O-N 3.38Å; S16-V18 PolarHBondContact O-N 3.31Å; S16-V18 VanDerWaalsContact O-N 3.13Å; S16-E19 PolarHBondContact N-OE2 2.92Å; S16-E19 WeakPolarHBondContact O-CB 3.32Å; S16-E19 PolarHBondContact O-N 3.08Å; S16-R20 WeakPolarHBondContact O-CG 3.44Å; S16-R20 PolarHBondContact O-N 3.21Å |
| 17 | A | 88.7 | Confident | 78.5 | Confident | 70 Ų | 70 | 108.5 Ų | 108.5 | 58% | 0.579 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -52.7 | -36.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L21 | A17-L21 WeakPolarHBondContact O-CB 3.42Å; A17-L21 VanDerWaalsContact O-CG 3.31Å; A17-L21 WeakPolarHBondContact O-CG 3.49Å; A17-L21 PolarHBondContact O-N 3.07Å |
| 18 | V | 87.5 | Confident | 80.3 | Confident | 97 Ų | 97 | 110.7 Ų | 110.7 | 59% | 0.588 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.2 | -41.7 | 176.7 | 177 | 0 | 0 | 0 | 0 | 111.8 | S16 L21 E22 | S16-V18 PolarHBondContact O-N 3.31Å; S16-V18 VanDerWaalsContact O-N 3.13Å; V18-L21 PolarHBondContact O-N 2.74Å; V18-E22 WeakPolarHBondContact O-CB 3.38Å; V18-E22 PolarHBondContact O-N 3.28Å |
| 19 | E | 88.9 | Confident | 81.9 | Confident | 101 Ų | 101 | 107 Ų | 107 | 47% | 0.472 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.4 | -40.3 | 179.7 | -172.2 | 179.4 | -178.6 | 0 | 0 | 111.2 | P15 S16 E22 A23 | P15-E19 WeakPolarHBondContact CA-OE2 3.38Å; P15-E19 HydrophobicContact CB-CB 4.39Å; P15-E19 HydrophobicContact CB-CG 4.28Å; S16-E19 PolarHBondContact N-OE2 2.92Å; S16-E19 WeakPolarHBondContact O-CB 3.32Å; S16-E19 PolarHBondContact O-N 3.08Å; E19-E22 PolarHBondContact O-N 2.96Å; E19-A23 WeakPolarHBondContact O-CB 3.47Å; E19-A23 PolarHBondContact O-N 3.33Å |
| 20 | R | 91.7 | Very high | 83.5 | Confident | 164 Ų | 164 | 112 Ų | 112 | 62% | 0.619 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.1 | -44.9 | 172.8 | -65.2 | 176.7 | 67.3 | 159 | 1.8 | 111.7 | P15 S16 E22 A23 D24 | P15-R20 HydrophobicContact CB-CG 4.01Å; P15-R20 HydrophobicContact CG-CG 3.9Å; S16-R20 WeakPolarHBondContact O-CG 3.44Å; S16-R20 PolarHBondContact O-N 3.21Å; R20-E22 VanDerWaalsContact C-N 3.28Å; R20-E22 PolarHBondContact O-N 3.41Å; R20-A23 PolarHBondContact O-N 3.26Å; R20-D24 PolarHBondContact O-N 3.45Å; R20-D24 VanDerWaalsContact O-N 3.13Å |
| 21 | L | 88.6 | Confident | 85.4 | Confident | 125 Ų | 125 | 111.9 Ų | 111.9 | 65% | 0.654 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.4 | -36.7 | 177.2 | -80.9 | 168.4 | 0 | 0 | 0 | 112 | A17 V18 K25 | A17-L21 WeakPolarHBondContact O-CB 3.42Å; A17-L21 VanDerWaalsContact O-CG 3.31Å; A17-L21 WeakPolarHBondContact O-CG 3.49Å; A17-L21 PolarHBondContact O-N 3.07Å; V18-L21 PolarHBondContact O-N 2.74Å; L21-K25 WeakPolarHBondContact O-CG 3.35Å; L21-K25 PolarHBondContact O-N 3.3Å |
| 22 | E | 88 | Confident | 86.6 | Confident | 55 Ų | 55 | 106.2 Ų | 106.2 | 26% | 0.257 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -70 | -44 | 178.1 | -164.2 | -175.9 | 152.6 | 0 | 0 | 112.5 | V18 E19 R20 D24 K25 R38 | V18-E22 WeakPolarHBondContact O-CB 3.38Å; V18-E22 PolarHBondContact O-N 3.28Å; E19-E22 PolarHBondContact O-N 2.96Å; R20-E22 VanDerWaalsContact C-N 3.28Å; R20-E22 PolarHBondContact O-N 3.41Å; E22-D24 PolarHBondContact O-N 2.96Å; E22-K25 HydrophobicContact CG-CD 4.42Å; E22-K25 WeakPolarHBondContact O-CB 3.41Å; E22-K25 PolarHBondContact O-N 2.94Å; E22-R38 IonicContact OE1-CZ 3.22Å; E22-R38 IonicContact OE1-NE 2.78Å; E22-R38 PolarHBondContact OE1-NE 3.19Å; E22-R38 IonicContact OE1-NH1 3.77Å; E22-R38 IonicContact OE1-NH2 2.92Å; E22-R38 PolarHBondContact OE1-NH2 3.36Å; E22-R38 IonicContact OE2-CZ 3.79Å; E22-R38 IonicContact OE2-NE 2.85Å; E22-R38 IonicContact OE2-NH1 2.91Å; E22-R38 PolarHBondContact OE2-NH1 3.4Å; E22-R38 IonicContact OE2-NH2 3.86Å; E22-R38 PolarHBondContact OE2-NH2 3.25Å |
| 23 | A | 89 | Confident | 87.7 | Confident | 79 Ų | 79 | 110.4 Ų | 110.4 | 65% | 0.653 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -59 | -37.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E19 R20 | E19-A23 WeakPolarHBondContact O-CB 3.47Å; E19-A23 PolarHBondContact O-N 3.33Å; R20-A23 PolarHBondContact O-N 3.26Å |
| 24 | D | 92.8 | Very high | 87.8 | Confident | 81 Ų | 81 | 104.4 Ų | 104.4 | 43% | 0.433 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.9 | -2 | -176.6 | -76.8 | -1 | 0 | 0 | 0 | 114.1 | R20 E22 A26 K27 Y28 | R20-D24 PolarHBondContact O-N 3.45Å; R20-D24 VanDerWaalsContact O-N 3.13Å; E22-D24 PolarHBondContact O-N 2.96Å; D24-A26 VanDerWaalsContact C-N 3.26Å; D24-A26 PolarHBondContact O-N 2.88Å; D24-K27 WeakPolarHBondContact O-CB 3.42Å; D24-K27 PolarHBondContact O-N 3.33Å; D24-Y28 HydrophobicContact CB-CD2 4.32Å; D24-Y28 HydrophobicContact CB-CE2 4.23Å; D24-Y28 WeakPolarHBondContact O-CD2 3.29Å |
| 25 | K | 92.4 | Very high | 87.7 | Confident | 48 Ų | 48 | 100.6 Ų | 100.6 | 21% | 0.209 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -54.5 | -41.5 | -178.4 | -80.5 | -178.7 | 179.3 | 173.3 | 0 | 112.6 | L21 E22 K27 Y28 V29 I35 R37 | L21-K25 WeakPolarHBondContact O-CG 3.35Å; L21-K25 PolarHBondContact O-N 3.3Å; E22-K25 HydrophobicContact CG-CD 4.42Å; E22-K25 WeakPolarHBondContact O-CB 3.41Å; E22-K25 PolarHBondContact O-N 2.94Å; K25-K27 PolarHBondContact O-N 2.93Å; K25-Y28 PolarHBondContact O-N 3.07Å; K25-V29 HydrophobicContact CB-CG2 4.49Å; K25-V29 WeakPolarHBondContact O-CB 3.45Å; K25-V29 WeakPolarHBondContact O-CG2 3.22Å; K25-V29 PolarHBondContact O-N 3.46Å; K25-I35 HydrophobicContact CB-CG2 4.35Å; K25-R37 PolarHBondContact NZ-O 3.34Å |
| 26 | A | 88.1 | Confident | 87.7 | Confident | 72 Ų | 72 | 100.8 Ų | 100.8 | 60% | 0.595 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.1 | -19.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D24 I35 | D24-A26 VanDerWaalsContact C-N 3.26Å; D24-A26 PolarHBondContact O-N 2.88Å; A26-I35 HydrophobicContact CB-CD1 4.41Å; A26-I35 HydrophobicContact CB-CG2 4.39Å |
| 27 | K | 91.6 | Very high | 87.4 | Confident | 150 Ų | 150 | 106.9 Ų | 106.9 | 65% | 0.652 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -80.3 | -29.4 | 178.1 | -175.5 | 175.3 | 175.5 | -168.2 | 0 | 112.7 | D24 K25 | D24-K27 WeakPolarHBondContact O-CB 3.42Å; D24-K27 PolarHBondContact O-N 3.33Å; K25-K27 PolarHBondContact O-N 2.93Å |
| 28 | Y | 90.1 | Very high | 86.9 | Confident | 163 Ų | 163 | 111 Ų | 111 | 64% | 0.639 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -120.4 | -12.4 | -169.9 | -59.5 | -73.5 | 0 | 0 | 0 | 113.9 | D24 K25 | D24-Y28 HydrophobicContact CB-CD2 4.32Å; D24-Y28 HydrophobicContact CB-CE2 4.23Å; D24-Y28 WeakPolarHBondContact O-CD2 3.29Å; K25-Y28 PolarHBondContact O-N 3.07Å |
| 29 | V | 90.7 | Very high | 86.3 | Confident | 43 Ų | 43 | 114.9 Ų | 114.9 | 26% | 0.261 | 56% | 0.561 | S | S | . | * | trans | -111.1 | 120.7 | 179.7 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | K25 V34 I35 | K25-V29 HydrophobicContact CB-CG2 4.49Å; K25-V29 WeakPolarHBondContact O-CB 3.45Å; K25-V29 WeakPolarHBondContact O-CG2 3.22Å; K25-V29 PolarHBondContact O-N 3.46Å; V29-V34 HydrophobicContact CG1-CB 3.61Å; V29-V34 HydrophobicContact CG1-CG1 3.63Å; V29-I35 HydrophobicContact CB-CG1 3.98Å; V29-I35 HydrophobicContact CG1-CG1 3.96Å; V29-I35 WeakPolarHBondContact O-CD1 3.45Å | ||
| 30 | K | 91.4 | Very high | 85.4 | Confident | 213 Ų | 213 | 116.9 Ų | 116.9 | 93% | 0.926 | 57% | 0.571 | S | S | * | * | trans | -81.2 | -20.8 | -176 | -166.3 | 169.5 | -178 | 174.5 | 0 | 113.8 | ||||
| 31 | T | 89.7 | Confident | 84.1 | Confident | 81 Ų | 81 | 113.8 Ų | 113.8 | 50% | 0.497 | 57% | 0.571 | S | S | . | * | trans | -104.2 | 121 | -172.8 | -45.3 | 0 | 0 | 0 | 0 | 111.4 | Q33 V34 I35 | T31-Q33 VanDerWaalsContact C-N 3.3Å; T31-Q33 HydrophobicContact CG2-CB 4.49Å; T31-Q33 PolarHBondContact O-N 3.46Å; T31-V34 PolarHBondContact O-N 3.29Å; T31-I35 PolarHBondContact O-N 2.85Å | ||
| 32 | H | 82.4 | Confident | 82.9 | Confident | 145 Ų | 145 | 112.8 Ų | 112.8 | 67% | 0.671 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -59.9 | -33.8 | -175.3 | -166.3 | -96.4 | 0 | 0 | 0 | 114.5 | V34 I35 A36 | H32-V34 PolarHBondContact O-N 2.99Å; H32-I35 PolarHBondContact O-N 3.34Å; H32-I35 VanDerWaalsContact O-N 3.17Å; H32-A36 PolarHBondContact O-N 3.04Å |
| 33 | Q | 84.5 | Confident | 81.4 | Confident | 166 Ų | 166 | 118.2 Ų | 118.2 | 78% | 0.776 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.3 | -32 | 176.7 | -65.3 | 179.2 | 13.5 | 0 | 0 | 112.9 | T31 R37 | T31-Q33 VanDerWaalsContact C-N 3.3Å; T31-Q33 HydrophobicContact CG2-CB 4.49Å; T31-Q33 PolarHBondContact O-N 3.46Å; Q33-R37 PolarHBondContact O-N 3.44Å |
| 34 | V | 79.1 | Confident | 79.7 | Confident | 80 Ų | 80 | 125.1 Ų | 125.1 | 49% | 0.485 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -82.6 | -31.3 | 178.3 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | V29 T31 H32 R37 | V29-V34 HydrophobicContact CG1-CB 3.61Å; V29-V34 HydrophobicContact CG1-CG1 3.63Å; T31-V34 PolarHBondContact O-N 3.29Å; H32-V34 PolarHBondContact O-N 2.99Å; V34-R37 PolarHBondContact O-N 3.42Å |
| 35 | I | 80.1 | Confident | 77.7 | Confident | 47 Ų | 47 | 125 Ų | 125 | 24% | 0.241 | 64% | 0.638 | C | S | . | * | H | α-helix | trans | -64.3 | -45.6 | 174.1 | -58.1 | 171 | 0 | 0 | 0 | 110.4 | K25 A26 V29 T31 H32 R37 | K25-I35 HydrophobicContact CB-CG2 4.35Å; A26-I35 HydrophobicContact CB-CD1 4.41Å; A26-I35 HydrophobicContact CB-CG2 4.39Å; V29-I35 HydrophobicContact CB-CG1 3.98Å; V29-I35 HydrophobicContact CG1-CG1 3.96Å; V29-I35 WeakPolarHBondContact O-CD1 3.45Å; T31-I35 PolarHBondContact O-N 2.85Å; H32-I35 PolarHBondContact O-N 3.34Å; H32-I35 VanDerWaalsContact O-N 3.17Å; I35-R37 VanDerWaalsContact C-N 3.27Å; I35-R37 PolarHBondContact O-N 2.92Å |
| 36 | A | 78.7 | Confident | 75.7 | Confident | 71 Ų | 71 | 127.7 Ų | 127.7 | 59% | 0.587 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -73 | -15.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | H32 R38 | H32-A36 PolarHBondContact O-N 3.04Å; A36-R38 PolarHBondContact O-N 3.15Å |
| 37 | R | 81.8 | Confident | 74 | Confident | 194 Ų | 194 | 130.8 Ų | 130.8 | 73% | 0.732 | 68% | 0.677 | S | S | * | * | trans | -81.1 | 111.7 | -177.9 | -162.5 | 177.2 | -154.4 | -116.6 | 3.2 | 110.8 | K25 Q33 V34 I35 | K25-R37 PolarHBondContact NZ-O 3.34Å; Q33-R37 PolarHBondContact O-N 3.44Å; V34-R37 PolarHBondContact O-N 3.42Å; I35-R37 VanDerWaalsContact C-N 3.27Å; I35-R37 PolarHBondContact O-N 2.92Å | ||
| 38 | R | 77.4 | Confident | 71.6 | Confident | 155 Ų | 155 | 126.6 Ų | 126.6 | 59% | 0.585 | 68% | 0.676 | S | S | * | * | trans | -81.4 | 137.5 | 167 | -74.1 | -178.8 | 147.1 | -101.1 | -3 | 110.1 | E22 A36 | E22-R38 IonicContact OE1-CZ 3.22Å; E22-R38 IonicContact OE1-NE 2.78Å; E22-R38 PolarHBondContact OE1-NE 3.19Å; E22-R38 IonicContact OE1-NH1 3.77Å; E22-R38 IonicContact OE1-NH2 2.92Å; E22-R38 PolarHBondContact OE1-NH2 3.36Å; E22-R38 IonicContact OE2-CZ 3.79Å; E22-R38 IonicContact OE2-NE 2.85Å; E22-R38 IonicContact OE2-NH1 2.91Å; E22-R38 PolarHBondContact OE2-NH1 3.4Å; E22-R38 IonicContact OE2-NH2 3.86Å; E22-R38 PolarHBondContact OE2-NH2 3.25Å; A36-R38 PolarHBondContact O-N 3.15Å | ||
| 39 | Q | 74.7 | Confident | 69.4 | Low | 179 Ų | 179 | 124.9 Ų | 124.9 | 84% | 0.836 | 69% | 0.685 | S | S | * | * | trans | -91.8 | 113.4 | 174 | -175.7 | 168 | 10.5 | 0 | 0 | 107.5 | ||||
| 40 | E | 70.7 | Confident | 67.3 | Low | 144 Ų | 144 | 131 Ų | 131 | 67% | 0.673 | 72% | 0.715 | S | S | * | * | trans | -72.4 | 140.7 | 176.5 | -67.7 | -59.2 | 130.6 | 0 | 0 | 110.3 | A42 | E40-A42 PolarHBondContact O-N 3Š| ||
| 41 | P | 63.6 | Low | 65.3 | Low | 98 Ų | 98 | 127.1 Ų | 127.1 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | trans | -57 | 132 | 173.3 | -22.6 | 32.9 | 0 | 0 | 0 | 110.9 | L43 | P41-L43 PolarHBondContact O-N 3.08Š| ||
| 42 | A | 63.4 | Low | 63.3 | Low | 104 Ų | 104 | 128.9 Ų | 128.9 | 86% | 0.86 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -64.7 | 0.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | E40 | E40-A42 PolarHBondContact O-N 3Š|
| 43 | L | 58.1 | Low | 61.4 | Low | 169 Ų | 169 | 130.6 Ų | 130.6 | 89% | 0.885 | 73% | 0.73 | S | S | * | * | trans | -101.8 | 41.2 | -178.1 | -58.5 | -177.2 | 0 | 0 | 0 | 112.9 | P41 | P41-L43 PolarHBondContact O-N 3.08Š| ||
| 44 | R | 53.5 | Low | 59.5 | Low | 225 Ų | 225 | 127.8 Ų | 127.8 | 85% | 0.849 | 73% | 0.727 | S | S | * | * | trans | -94.6 | 80.6 | 155.5 | -85.6 | -85.7 | -177.6 | 178.1 | -2 | 107.2 | S46 | R44-S46 PolarHBondContact O-N 2.88Š| ||
| 45 | G | 50.1 | Low | 57.5 | Low | 77 Ų | 77 | 129.8 Ų | 129.8 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | trans | -62.6 | 104.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 46 | S | 49.6 | Very low | 55.8 | Low | 106 Ų | 106 | 135.2 Ų | 135.2 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | -86 | 132.3 | 167.6 | -70.6 | 0 | 0 | 0 | 0 | 108.8 | R44 G48 | R44-S46 PolarHBondContact O-N 2.88Å; S46-G48 PolarHBondContact O-N 3.41Å | ||
| 47 | P | 52.3 | Low | 53.9 | Low | 136 Ų | 136 | 140.8 Ų | 140.8 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -76.4 | 114.4 | 170.3 | 28.6 | -26.8 | 0 | 0 | 0 | 108.6 | ||||
| 48 | G | 41.3 | Very low | 52.2 | Low | 62 Ų | 62 | 140.2 Ų | 140.2 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | trans | -154.3 | 140.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | S46 | S46-G48 PolarHBondContact O-N 3.41Š| ||
| 49 | P | 44.8 | Very low | 50.5 | Low | 128 Ų | 128 | 136.1 Ų | 136.1 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | trans | -74.7 | 138.1 | -151.7 | -13.2 | 29.1 | 0 | 0 | 0 | 113.4 | T51 | P49-T51 PolarHBondContact O-N 3.49Š| ||
| 50 | L | 45.8 | Very low | 49 | Very low | 171 Ų | 171 | 133.8 Ų | 133.8 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | trans | -62.3 | 113.2 | 168.9 | -62.2 | 169.4 | 0 | 0 | 0 | 109.2 | P52 | L50-P52 WeakPolarHBondContact O-CD 3.33Š| ||
| 51 | T | 50.9 | Low | 48 | Very low | 132 Ų | 132 | 133.2 Ų | 133.2 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -83.2 | 115.7 | 160.3 | 49.7 | 0 | 0 | 0 | 0 | 108.4 | P49 H53 | P49-T51 PolarHBondContact O-N 3.49Å; T51-H53 PolarHBondContact O-N 3.39Å | ||
| 52 | P | 46.4 | Very low | 47 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 125.5 | 172.5 | -10 | 26.6 | 0 | 0 | 0 | 109.1 | L50 | L50-P52 WeakPolarHBondContact O-CD 3.33Š|
| 53 | H | 42.9 | Very low | 46.1 | Very low | 182 Ų | 182 | 134.4 Ų | 134.4 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 128.5 | 165 | -102.7 | -59.3 | 0 | 0 | 0 | 108.7 | T51 C55 | T51-H53 PolarHBondContact O-N 3.39Å; H53-C55 PolarHBondContact O-N 3.34Å |
| 54 | P | 45.3 | Very low | 45.7 | Very low | 107 Ų | 107 | 132 Ų | 132 | 70% | 0.695 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 122.6 | 175.5 | 25.5 | -31.7 | 0 | 0 | 0 | 109.8 | N56 | P54-N56 PolarHBondContact O-N 2.99Š|
| 55 | C | 35.8 | Very low | 45.2 | Very low | 121 Ų | 121 | 133 Ų | 133 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 122.2 | 161 | -69.9 | 0 | 0 | 0 | 0 | 108.5 | H53 E57 | H53-C55 PolarHBondContact O-N 3.34Å; C55-E57 PolarHBondContact O-N 2.95Å |
| 56 | N | 45.1 | Very low | 45.2 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 87% | 0.866 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 121.3 | 167.5 | -81.1 | -24 | 0 | 0 | 0 | 108.9 | P54 | P54-N56 PolarHBondContact O-N 2.99Š|
| 57 | E | 38.9 | Very low | 45.3 | Very low | 188 Ų | 188 | 136.3 Ų | 136.3 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 167.8 | 176.4 | -66.1 | -173.7 | 149.6 | 0 | 0 | 113.1 | C55 | C55-E57 PolarHBondContact O-N 2.95Š|
| 58 | L | 45.1 | Very low | 44.9 | Very low | 182 Ų | 182 | 141.3 Ų | 141.3 | 95% | 0.953 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 147.1 | -160.4 | -59.2 | 159 | 0 | 0 | 0 | 115.3 | ||
| 59 | G | 41.5 | Very low | 45.3 | Very low | 69 Ų | 69 | 144.8 Ų | 144.8 | 71% | 0.711 | 84% | 0.836 | S | S | * | * | trans | -139.7 | 140.4 | 156.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 60 | P | 45 | Very low | 45.3 | Very low | 129 Ų | 129 | 143.1 Ų | 143.1 | 84% | 0.838 | 83% | 0.833 | S | S | * | * | trans | -78.9 | 161.3 | -159.9 | 30.7 | -34.8 | 0 | 0 | 0 | 115.3 | ||||
| 61 | P | 49.1 | Very low | 45.7 | Very low | 132 Ų | 132 | 146.9 Ų | 146.9 | 86% | 0.857 | 84% | 0.835 | S | S | * | * | trans | -87.9 | 135.6 | -167.5 | 34.1 | -33.6 | 0 | 0 | 0 | 113.8 | ||||
| 62 | A | 41.3 | Very low | 45.8 | Very low | 104 Ų | 104 | 152.3 Ų | 152.3 | 86% | 0.86 | 84% | 0.841 | S | S | * | * | trans | -105.6 | 134.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 63 | S | 44.8 | Very low | 45.5 | Very low | 123 Ų | 123 | 150.2 Ų | 150.2 | 86% | 0.86 | 84% | 0.84 | S | S | * | * | trans | -58.8 | 171.6 | -168.6 | -128.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 64 | P | 50.2 | Low | 46.2 | Very low | 119 Ų | 119 | 148.1 Ų | 148.1 | 77% | 0.773 | 85% | 0.846 | S | S | * | * | trans | -92 | 151.1 | -150.8 | 38 | -37 | 0 | 0 | 0 | 114.8 | ||||
| 65 | R | 43.3 | Very low | 46.8 | Very low | 247 Ų | 247 | 146 Ų | 146 | 93% | 0.932 | 84% | 0.844 | S | S | * | * | trans | -139.6 | 139.6 | 163.8 | -152.7 | 171.4 | -177.5 | -161 | 1.6 | 111.5 | ||||
| 66 | T | 48.8 | Very low | 47.7 | Very low | 127 Ų | 127 | 152.1 Ų | 152.1 | 78% | 0.779 | 85% | 0.85 | S | S | * | * | trans | -61.1 | 166.3 | -164.9 | 47.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 67 | P | 52.4 | Low | 48.4 | Very low | 125 Ų | 125 | 153.9 Ų | 153.9 | 81% | 0.812 | 84% | 0.844 | S | S | * | * | trans | -87.2 | 143.4 | -169.6 | 34.4 | -32.1 | 0 | 0 | 0 | 113.2 | ||||
| 68 | R | 44.2 | Very low | 49.6 | Very low | 240 Ų | 240 | 152.3 Ų | 152.3 | 91% | 0.906 | 84% | 0.841 | S | S | * | * | trans | -123.5 | 134.1 | 161.8 | -76.7 | 179.5 | 81 | 158 | 3.2 | 110.1 | A70 | R68-A70 PolarHBondContact O-N 2.98Š| ||
| 69 | P | 50.6 | Low | 50.5 | Low | 135 Ų | 135 | 149.1 Ų | 149.1 | 88% | 0.877 | 83% | 0.831 | S | S | * | * | trans | -82 | 112.8 | 177.5 | 30.7 | -29.5 | 0 | 0 | 0 | 110.4 | ||||
| 70 | A | 43 | Very low | 51.6 | Low | 93 Ų | 93 | 153.4 Ų | 153.4 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | trans | -88.5 | 107.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | R68 R72 | R68-A70 PolarHBondContact O-N 2.98Å; A70-R72 PolarHBondContact O-N 3.13Å | ||
| 71 | R | 55.8 | Low | 52.6 | Low | 250 Ų | 250 | 154.1 Ų | 154.1 | 94% | 0.943 | 83% | 0.83 | S | S | * | * | trans | -66.5 | 118 | 159.9 | -114.3 | -179.5 | 176.4 | -119.8 | 3 | 109.1 | ||||
| 72 | R | 51.3 | Low | 53.2 | Low | 246 Ų | 246 | 152.2 Ų | 152.2 | 93% | 0.928 | 81% | 0.813 | S | S | * | * | trans | -166.2 | 130.9 | 162.2 | -124 | -175.9 | -83 | -113.6 | 3.2 | 105.8 | A70 | A70-R72 PolarHBondContact O-N 3.13Š| ||
| 73 | G | 41.1 | Very low | 54.6 | Low | 73 Ų | 73 | 150.8 Ų | 150.8 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | cis | 157.7 | 122.1 | 14.6 | 0 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 74 | S | 58 | Low | 56.1 | Low | 138 Ų | 138 | 150.2 Ų | 150.2 | 97% | 0.965 | 78% | 0.784 | S | S | * | * | trans | -74.8 | 136.7 | 173.4 | 176.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 75 | G | 56.7 | Low | 57.4 | Low | 62 Ų | 62 | 148.2 Ų | 148.2 | 64% | 0.639 | 77% | 0.766 | S | S | * | * | trans | 148.9 | 114.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 76 | R | 56.1 | Low | 58.9 | Low | 251 Ų | 251 | 142.3 Ų | 142.3 | 95% | 0.947 | 75% | 0.747 | S | S | * | * | trans | 72.3 | 66.4 | 165.8 | -42.8 | -165.9 | -150.5 | -76.2 | 1.2 | 116.3 | ||||
| 77 | R | 58.6 | Low | 60.2 | Low | 198 Ų | 198 | 143.6 Ų | 143.6 | 75% | 0.747 | 74% | 0.739 | S | S | * | * | trans | -102.5 | 126.5 | 144.9 | -63.8 | -173.2 | -159.2 | -118.2 | 5.3 | 106.4 | ||||
| 78 | L | 65.6 | Low | 61.4 | Low | 155 Ų | 155 | 145.4 Ų | 145.4 | 81% | 0.812 | 73% | 0.729 | S | S | * | * | trans | -43 | 135 | 164.5 | -98.5 | 68 | 0 | 0 | 0 | 107.9 | R80 | L78-R80 PolarHBondContact O-N 2.98Š| ||
| 79 | P | 62.2 | Low | 62.8 | Low | 116 Ų | 116 | 139.8 Ų | 139.8 | 75% | 0.753 | 71% | 0.713 | S | S | * | * | trans | -57 | 109.9 | 177.8 | 23.3 | -30.2 | 0 | 0 | 0 | 106.8 | ||||
| 80 | R | 64.6 | Low | 63.9 | Low | 159 Ų | 159 | 138.6 Ų | 138.6 | 60% | 0.6 | 69% | 0.694 | S | S | * | * | trans | -57.3 | 132.8 | -177.5 | -75 | -168.5 | 173.8 | 111.3 | -7.6 | 107.3 | L78 D82 | L78-R80 PolarHBondContact O-N 2.98Å; R80-D82 HydrophobicContact CB-CB 4.46Å; R80-D82 PolarHBondContact O-N 2.9Å | ||
| 81 | P | 66.4 | Low | 65.2 | Low | 143 Ų | 143 | 143.7 Ų | 143.7 | 93% | 0.929 | 69% | 0.694 | S | S | * | * | trans | -77.4 | 51.8 | 179.2 | 34.6 | -36.2 | 0 | 0 | 0 | 109.7 | ||||
| 82 | D | 62.9 | Low | 65.6 | Low | 92 Ų | 92 | 137.5 Ų | 137.5 | 49% | 0.492 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -118.1 | 134.3 | -175.9 | -164.3 | -9.4 | 0 | 0 | 0 | 109.6 | R80 L84 I85 | R80-D82 HydrophobicContact CB-CB 4.46Å; R80-D82 PolarHBondContact O-N 2.9Å; D82-L84 PolarHBondContact O-N 3.39Å; D82-I85 PolarHBondContact O-N 3.33Å |
| 83 | S | 69.9 | Low | 65.8 | Low | 74 Ų | 74 | 129.4 Ų | 129.4 | 52% | 0.517 | 66% | 0.66 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -30.6 | -30 | 173 | 61.6 | 0 | 0 | 0 | 0 | 115.5 | I85 F86 Y87 | S83-I85 VanDerWaalsContact C-N 3.29Å; S83-I85 PolarHBondContact O-N 3.13Å; S83-F86 WeakPolarHBondContact O-CB 3.49Å; S83-F86 PolarHBondContact O-N 3.43Å; S83-F86 VanDerWaalsContact O-N 3.14Å; S83-Y87 WeakPolarHBondContact O-CD2 3.49Å; S83-Y87 PolarHBondContact O-N 3.25Å |
| 84 | L | 76.3 | Confident | 66.7 | Low | 112 Ų | 112 | 133.5 Ų | 133.5 | 59% | 0.586 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -59.9 | -29.7 | 178.6 | -161.6 | 61.9 | 0 | 0 | 0 | 114.5 | D82 Y87 R88 | D82-L84 PolarHBondContact O-N 3.39Å; L84-Y87 PolarHBondContact O-N 2.82Å; L84-R88 WeakPolarHBondContact O-CG 3.43Å; L84-R88 PolarHBondContact O-N 3.2Å |
| 85 | I | 78.3 | Confident | 66.6 | Low | 77 Ų | 77 | 131.2 Ų | 131.2 | 40% | 0.395 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -66.8 | -40.3 | 175.1 | -62.4 | -60.7 | 0 | 0 | 0 | 111.1 | D82 S83 Y87 R88 Q89 | D82-I85 PolarHBondContact O-N 3.33Å; S83-I85 VanDerWaalsContact C-N 3.29Å; S83-I85 PolarHBondContact O-N 3.13Å; I85-Y87 VanDerWaalsContact C-N 3.28Å; I85-Y87 PolarHBondContact O-N 3.21Å; I85-R88 PolarHBondContact O-N 3.23Å; I85-Q89 WeakPolarHBondContact O-CB 3.25Å; I85-Q89 PolarHBondContact O-N 3.43Å |
| 86 | F | 74.8 | Confident | 66.5 | Low | 123 Ų | 123 | 133 Ų | 133 | 54% | 0.539 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -61.9 | -38.2 | 174.3 | 177.5 | -97 | 0 | 0 | 0 | 111.5 | S83 K90 | S83-F86 WeakPolarHBondContact O-CB 3.49Å; S83-F86 PolarHBondContact O-N 3.43Å; S83-F86 VanDerWaalsContact O-N 3.14Å; F86-K90 HydrophobicContact CE1-CD 4Å; F86-K90 HydrophobicContact CZ-CD 4.33Å; F86-K90 WeakPolarHBondContact O-CB 3.2Å; F86-K90 PolarHBondContact O-N 3.15Å |
| 87 | Y | 75.4 | Confident | 66.5 | Low | 153 Ų | 153 | 126.1 Ų | 126.1 | 60% | 0.6 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -66.2 | -36.2 | 175.3 | -74.1 | -73.3 | 0 | 0 | 0 | 113.2 | S83 L84 I85 R91 | S83-Y87 WeakPolarHBondContact O-CD2 3.49Å; S83-Y87 PolarHBondContact O-N 3.25Å; L84-Y87 PolarHBondContact O-N 2.82Å; I85-Y87 VanDerWaalsContact C-N 3.28Å; I85-Y87 PolarHBondContact O-N 3.21Å; Y87-R91 WeakPolarHBondContact O-CB 3.42Å; Y87-R91 PolarHBondContact O-N 3Å |
| 88 | R | 78.4 | Confident | 66 | Low | 163 Ų | 163 | 122 Ų | 122 | 62% | 0.615 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68 | -51.8 | 174.8 | -67.1 | 174 | 76.5 | -154.1 | 2 | 110.7 | L84 I85 K90 R91 D92 | L84-R88 WeakPolarHBondContact O-CG 3.43Å; L84-R88 PolarHBondContact O-N 3.2Å; I85-R88 PolarHBondContact O-N 3.23Å; R88-K90 PolarHBondContact O-N 3.25Å; R88-R91 VanDerWaalsContact O-CB 3.27Å; R88-R91 WeakPolarHBondContact O-CB 3.4Å; R88-R91 PolarHBondContact O-N 2.95Å; R88-D92 PolarHBondContact O-N 3.22Å; R88-D92 VanDerWaalsContact O-N 3.15Å; R88-D92 VanDerWaalsContact O-OD2 3.09Å |
| 89 | Q | 73.6 | Confident | 65.7 | Low | 123 Ų | 123 | 124.8 Ų | 124.8 | 58% | 0.575 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -62.6 | -41.6 | -179.8 | -170.8 | 177.8 | 4.5 | 0 | 0 | 113 | I85 R91 D92 C93 | I85-Q89 WeakPolarHBondContact O-CB 3.25Å; I85-Q89 PolarHBondContact O-N 3.43Å; Q89-R91 PolarHBondContact O-N 2.89Å; Q89-D92 PolarHBondContact O-N 3.01Å; Q89-C93 PolarHBondContact O-N 2.9Å; Q89-C93 VanDerWaalsContact O-N 3.1Å; Q89-C93 PolarHBondContact O-SG 3.31Å; Q89-C93 VanDerWaalsContact O-SG 3.33Å |
| 90 | K | 73.9 | Confident | 65.4 | Low | 110 Ų | 110 | 126.9 Ų | 126.9 | 48% | 0.478 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -63.2 | -28.9 | 175.6 | 179 | 175.3 | -85.6 | -84.5 | 0 | 112 | F86 R88 K94 | F86-K90 HydrophobicContact CE1-CD 4Å; F86-K90 HydrophobicContact CZ-CD 4.33Å; F86-K90 WeakPolarHBondContact O-CB 3.2Å; F86-K90 PolarHBondContact O-N 3.15Å; R88-K90 PolarHBondContact O-N 3.25Å; K90-K94 WeakPolarHBondContact O-CG 3.31Å; K90-K94 PolarHBondContact O-N 2.91Å |
| 91 | R | 70.4 | Confident | 64.9 | Low | 200 Ų | 200 | 124.6 Ų | 124.6 | 76% | 0.755 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -72.2 | -42.1 | 176 | -161.3 | -173.2 | -173.2 | 124.2 | 3.3 | 111.1 | Y87 R88 Q89 C93 K94 | Y87-R91 WeakPolarHBondContact O-CB 3.42Å; Y87-R91 PolarHBondContact O-N 3Å; R88-R91 VanDerWaalsContact O-CB 3.27Å; R88-R91 WeakPolarHBondContact O-CB 3.4Å; R88-R91 PolarHBondContact O-N 2.95Å; Q89-R91 PolarHBondContact O-N 2.89Å; R91-C93 VanDerWaalsContact C-N 3.29Å; R91-C93 PolarHBondContact O-N 3.35Å; R91-K94 PolarHBondContact O-N 3.35Å |
| 92 | D | 63 | Low | 64.3 | Low | 119 Ų | 119 | 121.9 Ų | 121.9 | 64% | 0.636 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67 | -31.8 | -179.7 | -58.1 | -37.1 | 0 | 0 | 0 | 111.5 | R88 Q89 | R88-D92 PolarHBondContact O-N 3.22Å; R88-D92 VanDerWaalsContact O-N 3.15Å; R88-D92 VanDerWaalsContact O-OD2 3.09Å; Q89-D92 PolarHBondContact O-N 3.01Å |
| 93 | C | 56.2 | Low | 64 | Low | 77 Ų | 77 | 127.1 Ų | 127.1 | 52% | 0.52 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -73.8 | -23.9 | 173 | -61 | 0 | 0 | 0 | 0 | 114.7 | Q89 R91 A95 S96 | Q89-C93 PolarHBondContact O-N 2.9Å; Q89-C93 VanDerWaalsContact O-N 3.1Å; Q89-C93 PolarHBondContact O-SG 3.31Å; Q89-C93 VanDerWaalsContact O-SG 3.33Å; R91-C93 VanDerWaalsContact C-N 3.29Å; R91-C93 PolarHBondContact O-N 3.35Å; C93-A95 VanDerWaalsContact C-N 3.34Å; C93-S96 PolarHBondContact O-OG 2.88Å |
| 94 | K | 59.6 | Low | 63.3 | Low | 159 Ų | 159 | 125.7 Ų | 125.7 | 69% | 0.691 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -83.6 | -9.1 | -179.3 | -76.7 | -177 | 77.5 | 166.7 | 0 | 113.6 | K90 R91 S96 | K90-K94 WeakPolarHBondContact O-CG 3.31Å; K90-K94 PolarHBondContact O-N 2.91Å; R91-K94 PolarHBondContact O-N 3.35Å; K94-S96 VanDerWaalsContact C-N 3.34Å |
| 95 | A | 56.3 | Low | 62.4 | Low | 89 Ų | 89 | 127.5 Ų | 127.5 | 74% | 0.736 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -19.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | C93 | C93-A95 VanDerWaalsContact C-N 3.34Š|
| 96 | S | 54.7 | Low | 61.6 | Low | 99 Ų | 99 | 125.6 Ų | 125.6 | 69% | 0.692 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -98.8 | -10.3 | -177.6 | 61.4 | 0 | 0 | 0 | 0 | 115 | C93 K94 | C93-S96 PolarHBondContact O-OG 2.88Å; K94-S96 VanDerWaalsContact C-N 3.34Å |
| 97 | V | 54.9 | Low | 61 | Low | 108 Ų | 108 | 124.5 Ų | 124.5 | 66% | 0.655 | 64% | 0.641 | S | S | * | * | trans | -113.7 | 68.4 | -179.3 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 98 | N | 49.7 | Very low | 60.3 | Low | 111 Ų | 111 | 117.8 Ų | 117.8 | 59% | 0.594 | 62% | 0.616 | S | S | * | * | trans | -139.3 | 76.3 | 171.2 | -140.2 | 7.7 | 0 | 0 | 0 | 110.8 | N101 | N98-N101 PolarHBondContact OD1-ND2 3.35Š| ||
| 99 | K | 58.7 | Low | 59.5 | Low | 214 Ų | 214 | 118.8 Ų | 118.8 | 93% | 0.93 | 62% | 0.62 | S | S | * | * | trans | -135 | 40.3 | 174.4 | -165.2 | 175 | 169.5 | 173.3 | 0 | 112 | ||||
| 100 | E | 56 | Low | 59.1 | Low | 159 Ų | 159 | 122 Ų | 122 | 74% | 0.743 | 63% | 0.627 | S | S | * | * | trans | -145.8 | 3 | 175.9 | 75.8 | -174.6 | 126.7 | 0 | 0 | 118.2 | A102 | E100-A102 VanDerWaalsContact C-N 3.32Å; E100-A102 PolarHBondContact O-N 3.43Å | ||
| 101 | N | 53.2 | Low | 58.7 | Low | 112 Ų | 112 | 121.9 Ų | 121.9 | 60% | 0.599 | 63% | 0.63 | S | S | * | * | trans | -86.6 | 63.1 | -175.5 | -36.1 | -46 | 0 | 0 | 0 | 113.2 | N98 | N98-N101 PolarHBondContact OD1-ND2 3.35Š| ||
| 102 | A | 53.6 | Low | 58.1 | Low | 85 Ų | 85 | 115.3 Ų | 115.3 | 70% | 0.702 | 61% | 0.608 | S | S | * | * | trans | -95 | 4.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | E100 | E100-A102 VanDerWaalsContact C-N 3.32Å; E100-A102 PolarHBondContact O-N 3.43Å | ||
| 103 | K | 57.3 | Low | 58.2 | Low | 202 Ų | 202 | 115.5 Ų | 115.5 | 88% | 0.878 | 61% | 0.608 | S | S | * | * | trans | -104.8 | 27.4 | -171.5 | -71.2 | 173.6 | 177.7 | 168.2 | 0 | 115 | Q105 | K103-Q105 VanDerWaalsContact C-N 3.35Š| ||
| 104 | G | 54.4 | Low | 57.4 | Low | 44 Ų | 44 | 114.2 Ų | 114.2 | 45% | 0.454 | 61% | 0.608 | S | S | . | * | trans | -73.8 | -20 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | G106 | G104-G106 PolarHBondContact O-N 2.88Š| ||
| 105 | Q | 58 | Low | 56.9 | Low | 150 Ų | 150 | 111.3 Ų | 111.3 | 70% | 0.701 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 8.2 | -160.1 | -39.8 | -155.6 | 3.2 | 0 | 0 | 115 | K103 | K103-Q105 VanDerWaalsContact C-N 3.35Š|
| 106 | G | 61.4 | Low | 56.6 | Low | 37 Ų | 37 | 113.3 Ų | 113.3 | 38% | 0.381 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -88.9 | -20.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | G104 R110 | G104-G106 PolarHBondContact O-N 2.88Å; G106-R110 WeakPolarHBondContact O-CB 3.47Å; G106-R110 PolarHBondContact O-N 3.31Å |
| 107 | L | 62.5 | Low | 56 | Low | 100 Ų | 100 | 118.7 Ų | 118.7 | 52% | 0.524 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -87.2 | -38.8 | -171.4 | -157.3 | 135.9 | 0 | 0 | 0 | 112 | R110 L111 | L107-R110 PolarHBondContact O-N 3.48Å; L107-L111 HydrophobicContact CD2-CD1 3.45Å; L107-L111 VanDerWaalsContact CD2-CD1 3.45Å; L107-L111 HydrophobicContact CD2-CG 4.15Å; L107-L111 HydrophobicContact CG-CD1 4.41Å; L107-L111 WeakPolarHBondContact O-CG 3.34Å; L107-L111 PolarHBondContact O-N 2.78Å |
| 108 | V | 60.2 | Low | 55 | Low | 12 Ų | 12 | 119.8 Ų | 119.8 | 7% | 0.073 | 63% | 0.626 | C | S | . | * | H | α-helix | trans | -63.8 | -45 | 174.3 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | R110 L111 F112 E172 A174 L175 | V108-R110 PolarHBondContact O-N 2.91Å; V108-L111 PolarHBondContact O-N 2.66Å; V108-F112 HydrophobicContact CG1-CD2 4.27Å; V108-F112 WeakPolarHBondContact O-CB 3.26Å; V108-F112 PolarHBondContact O-N 2.69Å; V108-E172 HydrophobicContact CG2-CB 4.47Å; V108-E172 WeakPolarHBondContact CG2-OE2 3.29Å; V108-A174 HydrophobicContact CB-CB 4.29Å; V108-A174 HydrophobicContact CG1-CB 4.01Å; V108-A174 HydrophobicContact CG2-CB 4.06Å; V108-L175 HydrophobicContact CG2-CB 3.96Å |
| 109 | R | 62.1 | Low | 54.4 | Low | 184 Ų | 184 | 119.3 Ų | 119.3 | 69% | 0.694 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -59 | -37.2 | 174 | -97.7 | 177.7 | 175.6 | 176.3 | -1.1 | 112.4 | L113 | R109-L113 HydrophobicContact CG-CB 4.47Å; R109-L113 HydrophobicContact CG-CD2 4.31Å; R109-L113 WeakPolarHBondContact O-CA 3.31Å; R109-L113 WeakPolarHBondContact O-CB 3.34Å; R109-L113 PolarHBondContact O-N 2.91Å |
| 110 | R | 65.6 | Low | 53.2 | Low | 192 Ų | 192 | 113.7 Ų | 113.7 | 73% | 0.725 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -73.8 | -36.5 | -179.4 | -163.5 | -176.6 | -52.1 | 178.9 | 3 | 113.3 | G106 L107 V108 | G106-R110 WeakPolarHBondContact O-CB 3.47Å; G106-R110 PolarHBondContact O-N 3.31Å; L107-R110 PolarHBondContact O-N 3.48Å; V108-R110 PolarHBondContact O-N 2.91Å |
| 111 | L | 65.4 | Low | 53.1 | Low | 106 Ų | 106 | 111.9 Ų | 111.9 | 56% | 0.555 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -88.1 | -25.7 | -177.5 | -68.4 | -178.1 | 0 | 0 | 0 | 114 | L107 V108 | L107-L111 HydrophobicContact CD2-CD1 3.45Å; L107-L111 VanDerWaalsContact CD2-CD1 3.45Å; L107-L111 HydrophobicContact CD2-CG 4.15Å; L107-L111 HydrophobicContact CG-CD1 4.41Å; L107-L111 WeakPolarHBondContact O-CG 3.34Å; L107-L111 PolarHBondContact O-N 2.78Å; V108-L111 PolarHBondContact O-N 2.66Å |
| 112 | F | 57.7 | Low | 51.8 | Low | 63 Ų | 63 | 112 Ų | 112 | 28% | 0.276 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -119.5 | -20 | -172.9 | -66.8 | -93.1 | 0 | 0 | 0 | 114.6 | V108 L175 V178 L179 | V108-F112 HydrophobicContact CG1-CD2 4.27Å; V108-F112 WeakPolarHBondContact O-CB 3.26Å; V108-F112 PolarHBondContact O-N 2.69Å; F112-L175 HydrophobicContact CD2-CD1 4.06Å; F112-L175 HydrophobicContact CE1-CD1 4.35Å; F112-L175 HydrophobicContact CE2-CD1 3.11Å; F112-L175 HydrophobicContact CZ-CD1 3.28Å; F112-V178 HydrophobicContact CD1-CG1 3.95Å; F112-V178 HydrophobicContact CE1-CG1 4.09Å; F112-L179 HydrophobicContact CE1-CD2 4.16Å; F112-L179 HydrophobicContact CZ-CD2 4.38Å |
| 113 | L | 63.8 | Low | 50.7 | Low | 122 Ų | 122 | 113.4 Ų | 113.4 | 64% | 0.639 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -113.6 | -0 | -174.9 | -81.2 | 82.1 | 0 | 0 | 0 | 115.6 | R109 | R109-L113 HydrophobicContact CG-CB 4.47Å; R109-L113 HydrophobicContact CG-CD2 4.31Å; R109-L113 WeakPolarHBondContact O-CA 3.31Å; R109-L113 WeakPolarHBondContact O-CB 3.34Å; R109-L113 PolarHBondContact O-N 2.91Å |
| 114 | G | 39.8 | Very low | 49.9 | Very low | 51 Ų | 51 | 110.3 Ų | 110.3 | 53% | 0.526 | 65% | 0.648 | S | S | . | * | trans | 71.3 | 150.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 115 | A | 49.8 | Very low | 48.7 | Very low | 98 Ų | 98 | 112.5 Ų | 112.5 | 81% | 0.81 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 131.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | R117 | A115-R117 PolarHBondContact O-N 3.34Š|
| 116 | P | 49.2 | Very low | 47.4 | Very low | 130 Ų | 130 | 110.9 Ų | 110.9 | 84% | 0.844 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 120.1 | 161.8 | 31.1 | -27.6 | 0 | 0 | 0 | 107.9 | ||
| 117 | R | 42 | Very low | 46.2 | Very low | 212 Ų | 212 | 115.1 Ų | 115.1 | 80% | 0.8 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 145.1 | 167.4 | -107.6 | -166.6 | 168.8 | -93.2 | 2.6 | 110.4 | A115 | A115-R117 PolarHBondContact O-N 3.34Š|
| 118 | D | 33.6 | Very low | 44.6 | Very low | 131 Ų | 131 | 119.2 Ų | 119.2 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | trans | 84.4 | 132 | 155.1 | -56.6 | -30.1 | 0 | 0 | 0 | 120.6 | ||||
| 119 | A | 37 | Very low | 43.5 | Very low | 102 Ų | 102 | 128.7 Ų | 128.7 | 84% | 0.843 | 74% | 0.737 | S | S | * | * | trans | -56.8 | 161.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 120 | A | 34.6 | Very low | 42.4 | Very low | 95 Ų | 95 | 126 Ų | 126 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | cis | -163.6 | -177 | 30.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 121 | P | 53.4 | Low | 40.8 | Very low | 121 Ų | 121 | 120.5 Ų | 120.5 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | trans | -101.8 | 154.1 | -157.7 | 39 | -33.6 | 0 | 0 | 0 | 115.3 | ||||
| 122 | S | 27.1 | Very low | 39.3 | Very low | 114 Ų | 114 | 121.4 Ų | 121.4 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | trans | -171.3 | 127.7 | 150.7 | 54.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 123 | S | 30.3 | Very low | 38.2 | Very low | 116 Ų | 116 | 124.4 Ų | 124.4 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | 74 | 129 | 151.6 | -64.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 124 | P | 40.5 | Very low | 36.7 | Very low | 136 Ų | 136 | 122.4 Ų | 122.4 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -122.5 | 121.1 | 138.7 | 34.4 | -22.8 | 0 | 0 | 0 | 112.2 | ||||
| 125 | A | 28.5 | Very low | 36.1 | Very low | 91 Ų | 91 | 123.4 Ų | 123.4 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | -129.2 | 131.1 | 148.9 | 0 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 126 | S | 31.8 | Very low | 35.2 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | -166.1 | 141.4 | 63.2 | -48.3 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 127 | T | 34.5 | Very low | 34.4 | Very low | 127 Ų | 127 | 129.8 Ų | 129.8 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | -21.3 | 129.1 | 143.2 | -75.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 128 | E | 29.3 | Very low | 34 | Very low | 185 Ų | 185 | 124.1 Ų | 124.1 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | -179 | 140.4 | 106.9 | -128 | 165.3 | 143.2 | 0 | 0 | 112.3 | |||||
| 129 | R | 37.7 | Very low | 34.2 | Very low | 212 Ų | 212 | 124 Ų | 124 | 80% | 0.8 | 81% | 0.814 | S | S | * | * | trans | -108.9 | 147.6 | 172.8 | -176.6 | -178 | 176.9 | 166 | -0.2 | 106.5 | ||||
| 130 | P | 38.8 | Very low | 34.2 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | -135.9 | 152.2 | 117.5 | 19.4 | 0.6 | 0 | 0 | 0 | 112.8 | |||||
| 131 | A | 32.6 | Very low | 34.2 | Very low | 77 Ų | 77 | 129.2 Ų | 129.2 | 64% | 0.636 | 81% | 0.809 | S | S | * | * | trans | -78.9 | 141.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 132 | S | 32.6 | Very low | 33.6 | Very low | 124 Ų | 124 | 127.2 Ų | 127.2 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | -151.5 | 145.8 | 149.8 | 63.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 133 | S | 35.7 | Very low | 34.5 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 88% | 0.881 | 80% | 0.803 | S | S | * | * | trans | -81.2 | 143.9 | -168.2 | 47.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 134 | G | 32 | Very low | 35.1 | Very low | 81 Ų | 81 | 131.2 Ų | 131.2 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | 168.1 | 110 | 162.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 135 | G | 28.1 | Very low | 35 | Very low | 71 Ų | 71 | 129.5 Ų | 129.5 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | 114.1 | 90.5 | 60.7 | 0 | 0 | 0 | 0 | 0 | 105.6 | A137 | G135-A137 PolarHBondContact O-N 3.03Š| |||
| 136 | W | 31 | Very low | 35.7 | Very low | 265 Ų | 265 | 130.2 Ų | 130.2 | 100% | 1.004 | 81% | 0.81 | S | S | * | * | trans | -72.1 | 111.1 | 178.7 | -73.8 | 53.5 | 0 | 0 | 0 | 108.3 | ||||
| 137 | A | 31 | Very low | 36 | Very low | 98 Ų | 98 | 127.9 Ų | 127.9 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | -96.9 | 106.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109 | G135 | G135-A137 PolarHBondContact O-N 3.03Š| ||
| 138 | A | 35.1 | Very low | 36.9 | Very low | 92 Ų | 92 | 132 Ų | 132 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | trans | -83.2 | 145.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 139 | P | 36.6 | Very low | 37.7 | Very low | 129 Ų | 129 | 134 Ų | 134 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | -106.3 | 115.2 | 153.5 | -3.6 | 23.6 | 0 | 0 | 0 | 110.7 | ||||
| 140 | Q | 38 | Very low | 38 | Very low | 170 Ų | 170 | 128.2 Ų | 128.2 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | -94.1 | 151.8 | 147.5 | -63.4 | -136.5 | 78.7 | 0 | 0 | 106.1 | ||||
| 141 | D | 33.6 | Very low | 38.2 | Very low | 137 Ų | 137 | 129.8 Ų | 129.8 | 73% | 0.733 | 81% | 0.809 | S | S | * | * | cis | -167.6 | 167.2 | 35.1 | -138.6 | -43.7 | 0 | 0 | 0 | 111.4 | ||||
| 142 | A | 40.2 | Very low | 38.6 | Very low | 79 Ų | 79 | 130.5 Ų | 130.5 | 65% | 0.653 | 81% | 0.808 | S | S | * | * | trans | -32.2 | -175.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 143 | P | 47.4 | Very low | 39.2 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | cis | -139 | 153 | 5.5 | 36.8 | -15.1 | 0 | 0 | 0 | 119.4 | ||||
| 144 | E | 41.9 | Very low | 39.6 | Very low | 192 Ų | 192 | 130.8 Ų | 130.8 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | trans | 23.9 | 117.6 | 138.9 | -160.2 | 176.7 | 152.6 | 0 | 0 | 122.6 | ||||
| 145 | A | 38.4 | Very low | 40.2 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | -152.4 | 111.2 | 142.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 146 | A | 43.1 | Very low | 41.3 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 88% | 0.876 | 80% | 0.799 | S | S | * | * | trans | 27.7 | 100.6 | 150.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 147 | G | 38.4 | Very low | 42 | Very low | 66 Ų | 66 | 128.7 Ų | 128.7 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | trans | -172.8 | 83 | 157.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | R149 | G147-R149 PolarHBondContact O-N 3.17Š| ||
| 148 | K | 53.2 | Low | 43.2 | Very low | 212 Ų | 212 | 129.2 Ų | 129.2 | 92% | 0.922 | 79% | 0.785 | S | S | * | * | trans | -62 | 87.2 | 175.5 | -58.2 | 174.9 | -167 | -82.6 | 0 | 107.9 | A150 | K148-A150 PolarHBondContact O-N 3.38Š| ||
| 149 | R | 46.3 | Very low | 44.2 | Very low | 228 Ų | 228 | 128.2 Ų | 128.2 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | -65.1 | 109 | 163.4 | -74.3 | -172.1 | 165.1 | 120.1 | -1 | 105.3 | G147 L151 | G147-R149 PolarHBondContact O-N 3.17Å; R149-L151 VanDerWaalsContact C-N 3.33Å; R149-L151 PolarHBondContact O-N 2.99Å | ||
| 150 | A | 45.1 | Very low | 45.7 | Very low | 91 Ų | 91 | 125 Ų | 125 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | trans | -53.7 | 105.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | K148 C152 | K148-A150 PolarHBondContact O-N 3.38Å; A150-C152 PolarHBondContact O-N 3.26Å | ||
| 151 | L | 42.1 | Very low | 47.5 | Very low | 159 Ų | 159 | 123.7 Ų | 123.7 | 83% | 0.832 | 74% | 0.741 | S | S | * | * | trans | -56.1 | 110.3 | 173.6 | -65.3 | 170.3 | 0 | 0 | 0 | 105.6 | R149 P153 | R149-L151 VanDerWaalsContact C-N 3.33Å; R149-L151 PolarHBondContact O-N 2.99Å; L151-P153 VanDerWaalsContact O-CD 3.31Å; L151-P153 WeakPolarHBondContact O-CD 3.42Å; L151-P153 VanDerWaalsContact O-N 3.13Å | ||
| 152 | C | 41.1 | Very low | 49.6 | Very low | 93 Ų | 93 | 124.1 Ų | 124.1 | 63% | 0.628 | 74% | 0.736 | S | S | * | * | trans | -52.6 | 121.3 | 168.9 | -72.7 | 0 | 0 | 0 | 0 | 106.4 | A150 T154 | A150-C152 PolarHBondContact O-N 3.26Å; C152-T154 PolarHBondContact O-N 3.32Å | ||
| 153 | P | 44.2 | Very low | 51.5 | Low | 138 Ų | 138 | 125.1 Ų | 125.1 | 90% | 0.896 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 6.7 | -176.8 | -17.6 | 29.4 | 0 | 0 | 0 | 113.8 | L151 | L151-P153 VanDerWaalsContact O-CD 3.31Å; L151-P153 WeakPolarHBondContact O-CD 3.42Å; L151-P153 VanDerWaalsContact O-N 3.13Å |
| 154 | T | 44.6 | Very low | 53.2 | Low | 117 Ų | 117 | 122.7 Ų | 122.7 | 72% | 0.718 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -9.8 | -169.5 | 49.5 | 0 | 0 | 0 | 0 | 114.3 | C152 | C152-T154 PolarHBondContact O-N 3.32Š|
| 155 | C | 45.9 | Very low | 55 | Low | 102 Ų | 102 | 119 Ų | 119 | 69% | 0.689 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -137.7 | 86 | -173.1 | -63.1 | 0 | 0 | 0 | 0 | 111.8 | ||
| 156 | S | 51 | Low | 57.1 | Low | 116 Ų | 116 | 118.5 Ų | 118.5 | 81% | 0.811 | 66% | 0.663 | S | S | * | * | S | Bend | trans | 167 | 68.1 | 146.6 | 39.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 157 | L | 45.4 | Very low | 58.9 | Low | 156 Ų | 156 | 115.7 Ų | 115.7 | 82% | 0.817 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -153 | 145.8 | 142.6 | -76.3 | -175 | 0 | 0 | 0 | 106 | L159 | L157-L159 VanDerWaalsContact C-N 3.31Å; L157-L159 PolarHBondContact O-N 3.46Å |
| 158 | P | 55.8 | Low | 61 | Low | 108 Ų | 108 | 115.2 Ų | 115.2 | 70% | 0.701 | 61% | 0.611 | S | S | * | * | trans | -59.5 | 106.1 | 166.4 | 25.8 | -29.2 | 0 | 0 | 0 | 105.5 | S160 | P158-S160 PolarHBondContact O-N 3.08Å; P158-S160 VanDerWaalsContact O-N 3.16Å | ||
| 159 | L | 55.3 | Low | 62.4 | Low | 72 Ų | 72 | 106.4 Ų | 106.4 | 38% | 0.377 | 58% | 0.576 | S | S | . | * | trans | -35.9 | 129.2 | 167.3 | -71.2 | 174.6 | 0 | 0 | 0 | 106.8 | L157 E161 E163 R164 | L157-L159 VanDerWaalsContact C-N 3.31Å; L157-L159 PolarHBondContact O-N 3.46Å; L159-E161 PolarHBondContact O-N 3.2Å; L159-E163 HydrophobicContact CB-CB 4.1Å; L159-E163 HydrophobicContact CD2-CB 4.32Å; L159-R164 HydrophobicContact CB-CB 4.46Å | ||
| 160 | S | 68.7 | Low | 64.1 | Low | 60 Ų | 60 | 97.1 Ų | 97.1 | 42% | 0.42 | 55% | 0.551 | S | S | . | * | trans | -49.4 | 139.8 | 176.6 | 68.4 | 0 | 0 | 0 | 0 | 107 | P158 K162 E163 R164 | P158-S160 PolarHBondContact O-N 3.08Å; P158-S160 VanDerWaalsContact O-N 3.16Å; S160-K162 CarbonylContact O-C 3.49Å; S160-K162 PolarHBondContact O-N 2.84Å; S160-E163 PolarHBondContact N-OE2 3.11Å; S160-E163 PolarHBondContact O-N 3.24Å; S160-E163 WeakPolarHBondContact OG-CG 3.49Å; S160-E163 PolarHBondContact OG-OE2 3.08Å; S160-E163 VanDerWaalsContact OG-OE2 3.05Å; S160-R164 PolarHBondContact O-N 3.04Å; S160-R164 VanDerWaalsContact O-N 3.16Å | ||
| 161 | E | 75.9 | Confident | 66 | Low | 144 Ų | 144 | 94.1 Ų | 94.1 | 67% | 0.673 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -48.3 | -32 | -172.8 | -176.6 | 179.4 | 179.9 | 0 | 0 | 112.4 | L159 R164 F165 | L159-E161 PolarHBondContact O-N 3.2Å; E161-R164 PolarHBondContact O-N 2.74Å; E161-F165 WeakPolarHBondContact O-CB 3.25Å; E161-F165 PolarHBondContact O-N 3.12Å |
| 162 | K | 77.1 | Confident | 67.9 | Low | 146 Ų | 146 | 89.6 Ų | 89.6 | 64% | 0.635 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.4 | -49.1 | 171.6 | -173.8 | -179.5 | 176.4 | -169.5 | 0 | 114.1 | S160 F165 F166 | S160-K162 CarbonylContact O-C 3.49Å; S160-K162 PolarHBondContact O-N 2.84Å; K162-F165 WeakPolarHBondContact O-CB 3.33Å; K162-F165 PolarHBondContact O-N 2.68Å; K162-F166 HydrophobicContact CD-CE2 4.42Å; K162-F166 HydrophobicContact CG-CD2 4.05Å; K162-F166 HydrophobicContact CG-CE2 3.62Å; K162-F166 WeakPolarHBondContact O-CD2 3.38Å; K162-F166 PolarHBondContact O-N 2.94Å; K162-F166 VanDerWaalsContact O-N 3.11Å |
| 163 | E | 80.1 | Confident | 69.9 | Low | 99 Ų | 99 | 92.6 Ų | 92.6 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.9 | -39.2 | 178.2 | -72.6 | 161.6 | 157.7 | 0 | 0 | 111.4 | L159 S160 F165 F166 N167 | L159-E163 HydrophobicContact CB-CB 4.1Å; L159-E163 HydrophobicContact CD2-CB 4.32Å; S160-E163 PolarHBondContact N-OE2 3.11Å; S160-E163 PolarHBondContact O-N 3.24Å; S160-E163 WeakPolarHBondContact OG-CG 3.49Å; S160-E163 PolarHBondContact OG-OE2 3.08Å; S160-E163 VanDerWaalsContact OG-OE2 3.05Å; E163-F165 VanDerWaalsContact C-N 3.32Å; E163-F165 PolarHBondContact O-N 2.67Å; E163-F166 PolarHBondContact O-N 2.85Å; E163-N167 WeakPolarHBondContact O-CB 3.33Å; E163-N167 VanDerWaalsContact O-CG 3.3Å; E163-N167 PolarHBondContact O-N 3.13Å; E163-N167 PolarHBondContact O-ND2 2.9Å |
| 164 | R | 82.7 | Confident | 71.7 | Confident | 71 Ų | 71 | 87.7 Ų | 87.7 | 27% | 0.268 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58.8 | -46.7 | 171.7 | -174.9 | -172.5 | -65.5 | 129.1 | 4.7 | 110.6 | L159 S160 E161 F166 N167 Y168 | L159-R164 HydrophobicContact CB-CB 4.46Å; S160-R164 PolarHBondContact O-N 3.04Å; S160-R164 VanDerWaalsContact O-N 3.16Å; E161-R164 PolarHBondContact O-N 2.74Å; R164-F166 VanDerWaalsContact C-N 3.31Å; R164-F166 PolarHBondContact O-N 3.31Å; R164-N167 PolarHBondContact O-N 3.34Å; R164-Y168 HydrophobicContact CG-CD2 3.58Å; R164-Y168 HydrophobicContact CG-CE2 4.01Å; R164-Y168 WeakPolarHBondContact O-CD2 3.39Å; R164-Y168 PolarHBondContact O-N 2.94Å |
| 165 | F | 81.3 | Confident | 73.5 | Confident | 116 Ų | 116 | 83.2 Ų | 83.2 | 51% | 0.509 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -55.5 | -46 | 178 | -179.3 | -85.6 | 0 | 0 | 0 | 111.4 | E161 K162 E163 C169 G170 | E161-F165 WeakPolarHBondContact O-CB 3.25Å; E161-F165 PolarHBondContact O-N 3.12Å; K162-F165 WeakPolarHBondContact O-CB 3.33Å; K162-F165 PolarHBondContact O-N 2.68Å; E163-F165 VanDerWaalsContact C-N 3.32Å; E163-F165 PolarHBondContact O-N 2.67Å; F165-C169 CarbonylContact O-C 3.51Å; F165-C169 PolarHBondContact O-N 3.48Å; F165-C169 VanDerWaalsContact O-N 3.12Å; F165-G170 PolarHBondContact O-N 3.5Å |
| 166 | F | 80.9 | Confident | 75.2 | Confident | 89 Ų | 89 | 78.7 Ų | 78.7 | 39% | 0.39 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -71.9 | -37.1 | 178.9 | -70.2 | -66 | 0 | 0 | 0 | 113.4 | K162 E163 R164 R248 | K162-F166 HydrophobicContact CD-CE2 4.42Å; K162-F166 HydrophobicContact CG-CD2 4.05Å; K162-F166 HydrophobicContact CG-CE2 3.62Å; K162-F166 WeakPolarHBondContact O-CD2 3.38Å; K162-F166 PolarHBondContact O-N 2.94Å; K162-F166 VanDerWaalsContact O-N 3.11Å; E163-F166 PolarHBondContact O-N 2.85Å; R164-F166 VanDerWaalsContact C-N 3.31Å; R164-F166 PolarHBondContact O-N 3.31Å; F166-R248 WeakPolarHBondContact O-CD 3.38Å; F166-R248 PolarHBondContact O-NH1 3.2Å |
| 167 | N | 82.1 | Confident | 76.7 | Confident | 47 Ų | 47 | 79 Ų | 79 | 25% | 0.251 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.3 | -39.2 | 178.8 | -73.6 | -23.1 | 0 | 0 | 0 | 112.1 | E163 R164 | E163-N167 WeakPolarHBondContact O-CB 3.33Å; E163-N167 VanDerWaalsContact O-CG 3.3Å; E163-N167 PolarHBondContact O-N 3.13Å; E163-N167 PolarHBondContact O-ND2 2.9Å; R164-N167 PolarHBondContact O-N 3.34Å |
| 168 | Y | 82.1 | Confident | 78.5 | Confident | 56 Ų | 56 | 75.6 Ų | 75.6 | 22% | 0.22 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | 24.8 | -176.6 | -60.1 | -75.3 | 0 | 0 | 0 | 113.6 | R164 G170 L171 V176 A181 F184 | R164-Y168 HydrophobicContact CG-CD2 3.58Å; R164-Y168 HydrophobicContact CG-CE2 4.01Å; R164-Y168 WeakPolarHBondContact O-CD2 3.39Å; R164-Y168 PolarHBondContact O-N 2.94Å; Y168-G170 PolarHBondContact O-N 3.23Å; Y168-L171 VanDerWaalsContact O-CB 3.25Å; Y168-L171 WeakPolarHBondContact O-CB 3.27Å; Y168-L171 VanDerWaalsContact O-CG 3.26Å; Y168-L171 WeakPolarHBondContact O-CG 3.43Å; Y168-L171 PolarHBondContact O-N 3.38Å; Y168-V176 HydrophobicContact CD1-CB 4.4Å; Y168-V176 HydrophobicContact CD1-CG1 3.54Å; Y168-V176 HydrophobicContact CD1-CG2 3.91Å; Y168-V176 HydrophobicContact CE1-CG1 3.62Å; Y168-V176 HydrophobicContact CG-CG1 4.29Å; Y168-V176 HydrophobicContact CG-CG2 4Å; Y168-A181 HydrophobicContact CE1-CB 4.08Å; Y168-F184 HydrophobicContact CD1-CB 3.74Å; Y168-F184 HydrophobicContact CE1-CB 4.33Å |
| 169 | C | 82.3 | Confident | 79.5 | Confident | 27 Ų | 27 | 71.9 Ų | 71.9 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 26.9 | 177.6 | -61.8 | 0 | 0 | 0 | 0 | 115.2 | F165 L171 R248 N249 V252 | F165-C169 CarbonylContact O-C 3.51Å; F165-C169 PolarHBondContact O-N 3.48Å; F165-C169 VanDerWaalsContact O-N 3.12Å; C169-L171 VanDerWaalsContact C-N 3.28Å; C169-L171 PolarHBondContact O-N 3.23Å; C169-R248 WeakPolarHBondContact SG-CG 3.4Å; C169-N249 PolarHBondContact SG-OD1 2.84Å; C169-N249 VanDerWaalsContact SG-OD1 3.37Å; C169-V252 HydrophobicContact CB-CB 4.24Å; C169-V252 HydrophobicContact CB-CG1 4.19Å; C169-V252 HydrophobicContact CB-CG2 3.96Å; C169-V252 WeakPolarHBondContact SG-CG2 3.4Å |
| 170 | G | 83.4 | Confident | 80.7 | Confident | 33 Ų | 33 | 69.8 Ų | 69.8 | 34% | 0.34 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | 13.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | F165 Y168 | F165-G170 PolarHBondContact O-N 3.5Å; Y168-G170 PolarHBondContact O-N 3.23Å |
| 171 | L | 83.7 | Confident | 81 | Confident | 28 Ų | 28 | 68.5 Ų | 68.5 | 15% | 0.147 | 34% | 0.344 | C | S | . | . | trans | -69.8 | 140.3 | 172 | -62.1 | 170 | 0 | 0 | 0 | 110.5 | Y168 C169 L175 V176 F184 V252 | Y168-L171 VanDerWaalsContact O-CB 3.25Å; Y168-L171 WeakPolarHBondContact O-CB 3.27Å; Y168-L171 VanDerWaalsContact O-CG 3.26Å; Y168-L171 WeakPolarHBondContact O-CG 3.43Å; Y168-L171 PolarHBondContact O-N 3.38Å; C169-L171 VanDerWaalsContact C-N 3.28Å; C169-L171 PolarHBondContact O-N 3.23Å; L171-L175 HydrophobicContact CB-CD2 4.46Å; L171-L175 HydrophobicContact CD2-CD2 3.58Å; L171-L175 HydrophobicContact CD2-CG 4.42Å; L171-V176 HydrophobicContact CB-CG2 3.71Å; L171-F184 HydrophobicContact CD1-CD1 3.8Å; L171-F184 HydrophobicContact CD1-CE1 3.45Å; L171-F184 VanDerWaalsContact CD1-CE1 3.45Å; L171-F184 HydrophobicContact CD1-CE2 4.29Å; L171-F184 HydrophobicContact CD1-CG 4.35Å; L171-F184 HydrophobicContact CD1-CZ 3.73Å; L171-V252 HydrophobicContact CD1-CG1 4.1Å | ||
| 172 | E | 82.9 | Confident | 81.1 | Confident | 64 Ų | 64 | 68.6 Ų | 68.6 | 30% | 0.299 | 34% | 0.344 | S | S | . | . | trans | -65.7 | 147.1 | 175.2 | -171.9 | 174.5 | -166.1 | 0 | 0 | 110.4 | V108 A174 L175 V176 | V108-E172 HydrophobicContact CG2-CB 4.47Å; V108-E172 WeakPolarHBondContact CG2-OE2 3.29Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 3.05Å; E172-L175 HydrophobicContact CB-CB 4.44Å; E172-L175 WeakPolarHBondContact O-CA 3.39Å; E172-L175 VanDerWaalsContact O-CB 3.29Å; E172-L175 WeakPolarHBondContact O-CB 3.36Å; E172-L175 PolarHBondContact O-N 2.99Å; E172-V176 WeakPolarHBondContact O-CG2 3.49Å; E172-V176 PolarHBondContact O-N 3.43Å | ||
| 173 | R | 81.9 | Confident | 80.8 | Confident | 156 Ų | 156 | 69.1 Ų | 69.1 | 59% | 0.589 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -53.8 | -43.3 | -178.8 | -176.8 | 176.2 | 172.5 | 170.7 | 3.4 | 112.9 | L175 V176 E177 | R173-L175 PolarHBondContact O-N 3.44Å; R173-V176 PolarHBondContact O-N 3.45Å; R173-E177 HydrophobicContact CG-CG 4.47Å; R173-E177 WeakPolarHBondContact CG-OE1 3.19Å; R173-E177 IonicContact CZ-OE1 3.46Å; R173-E177 IonicContact NE-OE1 3.05Å; R173-E177 PolarHBondContact NE-OE1 2.81Å; R173-E177 IonicContact NH2-OE1 2.99Å; R173-E177 WeakPolarHBondContact O-CB 2.78Å; R173-E177 WeakPolarHBondContact O-CG 3.26Å; R173-E177 PolarHBondContact O-N 2.98Å |
| 174 | A | 81.8 | Confident | 80.5 | Confident | 35 Ų | 35 | 64.6 Ų | 64.6 | 29% | 0.289 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.9 | -31.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V108 E172 V178 | V108-A174 HydrophobicContact CB-CB 4.29Å; V108-A174 HydrophobicContact CG1-CB 4.01Å; V108-A174 HydrophobicContact CG2-CB 4.06Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 3.05Å; A174-V178 VanDerWaalsContact O-CG2 3.25Å; A174-V178 WeakPolarHBondContact O-CG2 3.4Å; A174-V178 PolarHBondContact O-N 3.36Å; A174-V178 VanDerWaalsContact O-N 3.15Å |
| 175 | L | 82.4 | Confident | 79.8 | Confident | 22 Ų | 22 | 61.9 Ų | 61.9 | 12% | 0.115 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -72.7 | -41.2 | 176.6 | -172.2 | 55.4 | 0 | 0 | 0 | 111.5 | V108 F112 L171 E172 R173 E177 V178 L179 | V108-L175 HydrophobicContact CG2-CB 3.96Å; F112-L175 HydrophobicContact CD2-CD1 4.06Å; F112-L175 HydrophobicContact CE1-CD1 4.35Å; F112-L175 HydrophobicContact CE2-CD1 3.11Å; F112-L175 HydrophobicContact CZ-CD1 3.28Å; L171-L175 HydrophobicContact CB-CD2 4.46Å; L171-L175 HydrophobicContact CD2-CD2 3.58Å; L171-L175 HydrophobicContact CD2-CG 4.42Å; E172-L175 HydrophobicContact CB-CB 4.44Å; E172-L175 WeakPolarHBondContact O-CA 3.39Å; E172-L175 VanDerWaalsContact O-CB 3.29Å; E172-L175 WeakPolarHBondContact O-CB 3.36Å; E172-L175 PolarHBondContact O-N 2.99Å; R173-L175 PolarHBondContact O-N 3.44Å; L175-E177 VanDerWaalsContact C-N 3.33Å; L175-V178 PolarHBondContact O-N 3.38Å; L175-L179 HydrophobicContact CD1-CD1 3.65Å; L175-L179 HydrophobicContact CD1-CG 4.18Å; L175-L179 HydrophobicContact CG-CD1 3.86Å; L175-L179 WeakPolarHBondContact O-CB 3.49Å; L175-L179 WeakPolarHBondContact O-CG 3.33Å; L175-L179 PolarHBondContact O-N 3.45Å |
| 176 | V | 82.4 | Confident | 78.8 | Confident | 8 Ų | 8 | 59 Ų | 59 | 5% | 0.048 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.3 | -39.4 | 175.2 | 177.2 | 0 | 0 | 0 | 0 | 111.1 | Y168 L171 E172 R173 L179 G180 A181 F184 | Y168-V176 HydrophobicContact CD1-CB 4.4Å; Y168-V176 HydrophobicContact CD1-CG1 3.54Å; Y168-V176 HydrophobicContact CD1-CG2 3.91Å; Y168-V176 HydrophobicContact CE1-CG1 3.62Å; Y168-V176 HydrophobicContact CG-CG1 4.29Å; Y168-V176 HydrophobicContact CG-CG2 4Å; L171-V176 HydrophobicContact CB-CG2 3.71Å; E172-V176 WeakPolarHBondContact O-CG2 3.49Å; E172-V176 PolarHBondContact O-N 3.43Å; R173-V176 PolarHBondContact O-N 3.45Å; V176-L179 PolarHBondContact O-N 3.49Å; V176-G180 CarbonylContact O-C 3.25Å; V176-G180 VanDerWaalsContact O-C 3.25Å; V176-G180 WeakPolarHBondContact O-CA 3.44Å; V176-G180 PolarHBondContact O-N 3.47Å; V176-A181 HydrophobicContact CG1-CB 3.74Å; V176-A181 PolarHBondContact O-N 3.36Å; V176-F184 HydrophobicContact CG1-CD2 4.45Å |
| 177 | E | 83.2 | Confident | 77.8 | Confident | 122 Ų | 122 | 62.5 Ų | 62.5 | 57% | 0.57 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -64.3 | -42.7 | 176.8 | -75.7 | 169.6 | -173.9 | 0 | 0 | 111.8 | R173 L175 | R173-E177 HydrophobicContact CG-CG 4.47Å; R173-E177 WeakPolarHBondContact CG-OE1 3.19Å; R173-E177 IonicContact CZ-OE1 3.46Å; R173-E177 IonicContact NE-OE1 3.05Å; R173-E177 PolarHBondContact NE-OE1 2.81Å; R173-E177 IonicContact NH2-OE1 2.99Å; R173-E177 WeakPolarHBondContact O-CB 2.78Å; R173-E177 WeakPolarHBondContact O-CG 3.26Å; R173-E177 PolarHBondContact O-N 2.98Å; L175-E177 VanDerWaalsContact C-N 3.33Å |
| 178 | V | 81.6 | Confident | 77 | Confident | 85 Ų | 85 | 61.9 Ų | 61.9 | 52% | 0.515 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68 | -36.2 | 177.6 | 172.6 | 0 | 0 | 0 | 0 | 112.3 | F112 A174 L175 | F112-V178 HydrophobicContact CD1-CG1 3.95Å; F112-V178 HydrophobicContact CE1-CG1 4.09Å; A174-V178 VanDerWaalsContact O-CG2 3.25Å; A174-V178 WeakPolarHBondContact O-CG2 3.4Å; A174-V178 PolarHBondContact O-N 3.36Å; A174-V178 VanDerWaalsContact O-N 3.15Å; L175-V178 PolarHBondContact O-N 3.38Å |
| 179 | L | 78.1 | Confident | 76 | Confident | 30 Ų | 30 | 60 Ų | 60 | 16% | 0.157 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -93.2 | -14.3 | -174.3 | -61.9 | 178 | 0 | 0 | 0 | 113.7 | F112 L175 V176 R183 F184 W255 | F112-L179 HydrophobicContact CE1-CD2 4.16Å; F112-L179 HydrophobicContact CZ-CD2 4.38Å; L175-L179 HydrophobicContact CD1-CD1 3.65Å; L175-L179 HydrophobicContact CD1-CG 4.18Å; L175-L179 HydrophobicContact CG-CD1 3.86Å; L175-L179 WeakPolarHBondContact O-CB 3.49Å; L175-L179 WeakPolarHBondContact O-CG 3.33Å; L175-L179 PolarHBondContact O-N 3.45Å; V176-L179 PolarHBondContact O-N 3.49Å; L179-R183 WeakPolarHBondContact O-CD 3.19Å; L179-R183 PolarHBondContact O-NE 3.15Å; L179-F184 HydrophobicContact CB-CE2 3.92Å; L179-F184 HydrophobicContact CB-CZ 4.3Å; L179-F184 HydrophobicContact CD1-CZ 4.37Å; L179-W255 HydrophobicContact CB-CH2 3.71Å; L179-W255 HydrophobicContact CB-CZ2 4.47Å; L179-W255 HydrophobicContact CB-CZ3 4.49Å; L179-W255 HydrophobicContact CD1-CH2 3.31Å; L179-W255 HydrophobicContact CD1-CZ3 3.44Å; L179-W255 VanDerWaalsContact CD1-CZ3 3.44Å; L179-W255 HydrophobicContact CD2-CH2 3.67Å; L179-W255 HydrophobicContact CD2-CZ2 4.45Å; L179-W255 HydrophobicContact CG-CH2 3.69Å; L179-W255 HydrophobicContact CG-CZ3 4.33Å |
| 180 | G | 80.4 | Confident | 74.6 | Confident | 28 Ų | 28 | 60.7 Ų | 60.7 | 29% | 0.289 | 33% | 0.327 | S | S | . | . | trans | 93.1 | 116.4 | -177 | 0 | 0 | 0 | 0 | 0 | 112.4 | V176 E182 R183 F184 | V176-G180 CarbonylContact O-C 3.25Å; V176-G180 VanDerWaalsContact O-C 3.25Å; V176-G180 WeakPolarHBondContact O-CA 3.44Å; V176-G180 PolarHBondContact O-N 3.47Å; G180-E182 PolarHBondContact O-N 3.37Å; G180-R183 PolarHBondContact O-N 3.45Å; G180-R183 VanDerWaalsContact O-N 3.15Å; G180-F184 VanDerWaalsContact O-CD2 3.31Å; G180-F184 WeakPolarHBondContact O-CD2 3.43Å | ||
| 181 | A | 74.9 | Confident | 73.2 | Confident | 33 Ų | 33 | 62.7 Ų | 62.7 | 27% | 0.273 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -59.4 | -32.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y168 V176 R183 F184 S185 | Y168-A181 HydrophobicContact CE1-CB 4.08Å; V176-A181 HydrophobicContact CG1-CB 3.74Å; V176-A181 PolarHBondContact O-N 3.36Å; A181-R183 PolarHBondContact O-N 3.27Å; A181-R183 VanDerWaalsContact O-N 3.11Å; A181-F184 PolarHBondContact O-N 3.28Å; A181-F184 VanDerWaalsContact O-N 3.08Å; A181-S185 PolarHBondContact O-N 2.69Å |
| 182 | E | 76.9 | Confident | 71.4 | Confident | 146 Ų | 146 | 66.7 Ų | 66.7 | 68% | 0.682 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -67.2 | -6.9 | 179.1 | -60.7 | -52.6 | 145.9 | 0 | 0 | 114.2 | G180 S188 | G180-E182 PolarHBondContact O-N 3.37Å; E182-S188 WeakPolarHBondContact O-CB 3.38Å; E182-S188 PolarHBondContact O-OG 3.43Å; E182-S188 VanDerWaalsContact O-OG 3.08Å |
| 183 | R | 72.1 | Confident | 69.7 | Low | 157 Ų | 157 | 69 Ų | 69 | 59% | 0.592 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -90.4 | -13 | 173.7 | -58.7 | -172.7 | -176.1 | -81.1 | -1.2 | 113 | L179 G180 A181 W189 | L179-R183 WeakPolarHBondContact O-CD 3.19Å; L179-R183 PolarHBondContact O-NE 3.15Å; G180-R183 PolarHBondContact O-N 3.45Å; G180-R183 VanDerWaalsContact O-N 3.15Å; A181-R183 PolarHBondContact O-N 3.27Å; A181-R183 VanDerWaalsContact O-N 3.11Å; R183-W189 PolarHBondContact O-NE1 2.95Å |
| 184 | F | 73.9 | Confident | 67.7 | Low | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.018 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -119.1 | 0.3 | -175.1 | -55.2 | -77.9 | 0 | 0 | 0 | 111.6 | Y168 L171 V176 L179 G180 A181 W189 V252 W255 | Y168-F184 HydrophobicContact CD1-CB 3.74Å; Y168-F184 HydrophobicContact CE1-CB 4.33Å; L171-F184 HydrophobicContact CD1-CD1 3.8Å; L171-F184 HydrophobicContact CD1-CE1 3.45Å; L171-F184 VanDerWaalsContact CD1-CE1 3.45Å; L171-F184 HydrophobicContact CD1-CE2 4.29Å; L171-F184 HydrophobicContact CD1-CG 4.35Å; L171-F184 HydrophobicContact CD1-CZ 3.73Å; V176-F184 HydrophobicContact CG1-CD2 4.45Å; L179-F184 HydrophobicContact CB-CE2 3.92Å; L179-F184 HydrophobicContact CB-CZ 4.3Å; L179-F184 HydrophobicContact CD1-CZ 4.37Å; G180-F184 VanDerWaalsContact O-CD2 3.31Å; G180-F184 WeakPolarHBondContact O-CD2 3.43Å; A181-F184 PolarHBondContact O-N 3.28Å; A181-F184 VanDerWaalsContact O-N 3.08Å; F184-W189 VanDerWaalsContact C-CZ2 3.49Å; F184-W189 HydrophobicContact CB-CZ2 4.34Å; F184-W189 WeakPolarHBondContact O-CH2 3.4Å; F184-W189 WeakPolarHBondContact O-CZ2 3.49Å; F184-V252 HydrophobicContact CD1-CG2 3.66Å; F184-V252 HydrophobicContact CE1-CG1 4.13Å; F184-V252 HydrophobicContact CE1-CG2 3.85Å; F184-W255 HydrophobicContact CE1-CE3 4.19Å; F184-W255 HydrophobicContact CE1-CZ3 4.24Å; F184-W255 AromaticContact CZ-CE3 3.96Å; F184-W255 HydrophobicContact CZ-CE3 3.96Å; F184-W255 AromaticContact CZ-CH2 3.98Å; F184-W255 HydrophobicContact CZ-CH2 3.98Å; F184-W255 AromaticContact CZ-CZ3 3.6Å; F184-W255 HydrophobicContact CZ-CZ3 3.6Å |
| 185 | S | 67.4 | Low | 65.8 | Low | 14 Ų | 14 | 69.9 Ų | 69.9 | 10% | 0.098 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -74.2 | 141.8 | 177.9 | 72.9 | 0 | 0 | 0 | 0 | 109.7 | A181 Q187 S188 | A181-S185 PolarHBondContact O-N 2.69Å; S185-Q187 PolarHBondContact O-N 3.17Å; S185-Q187 VanDerWaalsContact O-N 3.15Å; S185-S188 PolarHBondContact N-OG 3.25Å; S185-S188 WeakPolarHBondContact O-CB 3.03Å; S185-S188 PolarHBondContact O-N 3.05Å; S185-S188 PolarHBondContact O-OG 2.91Å; S185-S188 WeakPolarHBondContact OG-CB 3.09Å; S185-S188 PolarHBondContact OG-N 3.23Å |
| 186 | P | 61.2 | Low | 63.7 | Low | 54 Ų | 54 | 77.6 Ų | 77.6 | 35% | 0.351 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -30.8 | 175.3 | -27.6 | 35.4 | 0 | 0 | 0 | 114 | W189 | P186-W189 HydrophobicContact CB-CZ3 4.41Å; P186-W189 HydrophobicContact CG-CZ3 4.29Å |
| 187 | Q | 60.1 | Low | 61.6 | Low | 163 Ų | 163 | 81.4 Ų | 81.4 | 76% | 0.762 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -38.5 | 173.5 | -87.7 | 96.8 | 10.5 | 0 | 0 | 112.7 | S185 W189 G190 | S185-Q187 PolarHBondContact O-N 3.17Å; S185-Q187 VanDerWaalsContact O-N 3.15Å; Q187-W189 VanDerWaalsContact C-N 3.32Å; Q187-W189 PolarHBondContact O-N 3.36Å; Q187-G190 PolarHBondContact O-N 3.29Å |
| 188 | S | 63.6 | Low | 59.6 | Low | 34 Ų | 34 | 78.8 Ų | 78.8 | 24% | 0.238 | 49% | 0.49 | C | S | . | . | G | 310 helix | trans | -68.7 | -27.4 | -176.6 | 72.3 | 0 | 0 | 0 | 0 | 114.5 | E182 S185 G190 A191 | E182-S188 WeakPolarHBondContact O-CB 3.38Å; E182-S188 PolarHBondContact O-OG 3.43Å; E182-S188 VanDerWaalsContact O-OG 3.08Å; S185-S188 PolarHBondContact N-OG 3.25Å; S185-S188 WeakPolarHBondContact O-CB 3.03Å; S185-S188 PolarHBondContact O-N 3.05Å; S185-S188 PolarHBondContact O-OG 2.91Å; S185-S188 WeakPolarHBondContact OG-CB 3.09Å; S185-S188 PolarHBondContact OG-N 3.23Å; S188-G190 VanDerWaalsContact C-N 3.28Å; S188-G190 PolarHBondContact O-N 2.92Å; S188-A191 PolarHBondContact O-N 3.3Å |
| 189 | W | 61.2 | Low | 57.4 | Low | 17 Ų | 17 | 81.3 Ų | 81.3 | 6% | 0.064 | 51% | 0.506 | C | S | . | . | G | 310 helix | trans | -79.5 | -12 | -179.2 | -59.8 | -25.6 | 0 | 0 | 0 | 113.9 | R183 F184 P186 Q187 V243 R248 R251 | R183-W189 PolarHBondContact O-NE1 2.95Å; F184-W189 VanDerWaalsContact C-CZ2 3.49Å; F184-W189 HydrophobicContact CB-CZ2 4.34Å; F184-W189 WeakPolarHBondContact O-CH2 3.4Å; F184-W189 WeakPolarHBondContact O-CZ2 3.49Å; P186-W189 HydrophobicContact CB-CZ3 4.41Å; P186-W189 HydrophobicContact CG-CZ3 4.29Å; Q187-W189 VanDerWaalsContact C-N 3.32Å; Q187-W189 PolarHBondContact O-N 3.36Å; W189-V243 HydrophobicContact CB-CG2 4.41Å; W189-V243 HydrophobicContact CE3-CG2 3.72Å; W189-V243 HydrophobicContact CZ3-CG2 4.49Å; W189-R248 HydrophobicContact CE3-CB 4.23Å; W189-R248 HydrophobicContact CE3-CG 4.31Å; W189-R248 HydrophobicContact CH2-CB 3.98Å; W189-R248 HydrophobicContact CH2-CG 3.18Å; W189-R248 HydrophobicContact CZ2-CB 4.45Å; W189-R248 HydrophobicContact CZ2-CG 3.7Å; W189-R248 HydrophobicContact CZ3-CB 3.88Å; W189-R248 VanDerWaalsContact CZ3-CD 3.44Å; W189-R248 HydrophobicContact CZ3-CG 3.57Å; W189-R251 PolarHBondContact O-NH1 3.17Å |
| 190 | G | 53.8 | Low | 55.6 | Low | 41 Ų | 41 | 85.5 Ų | 85.5 | 42% | 0.423 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -79.5 | -23.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q187 S188 D192 R240 | Q187-G190 PolarHBondContact O-N 3.29Å; S188-G190 VanDerWaalsContact C-N 3.28Å; S188-G190 PolarHBondContact O-N 2.92Å; G190-D192 PolarHBondContact O-N 3.11Å; G190-D192 VanDerWaalsContact O-N 3.13Å; G190-R240 PolarHBondContact O-NH1 3.16Å |
| 191 | A | 53.8 | Low | 53.7 | Low | 75 Ų | 75 | 89.6 Ų | 89.6 | 62% | 0.62 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -77.7 | 97 | 170.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | S188 A193 | S188-A191 PolarHBondContact O-N 3.3Å; A191-A193 PolarHBondContact O-N 3.48Å |
| 192 | D | 45.3 | Very low | 52.2 | Low | 112 Ų | 112 | 93.7 Ų | 93.7 | 60% | 0.599 | 58% | 0.583 | S | S | * | * | trans | -48.3 | 135.1 | 160 | -61.4 | -29.3 | 0 | 0 | 0 | 107.3 | G190 S194 R240 | G190-D192 PolarHBondContact O-N 3.11Å; G190-D192 VanDerWaalsContact O-N 3.13Å; D192-S194 PolarHBondContact O-N 3.3Å; D192-R240 IonicContact OD1-CZ 2.69Å; D192-R240 IonicContact OD1-NH1 2.85Å; D192-R240 PolarHBondContact OD1-NH1 2.8Å; D192-R240 IonicContact OD1-NH2 3.39Å; D192-R240 PolarHBondContact OD1-NH2 3.2Å | ||
| 193 | A | 47.9 | Very low | 50.8 | Low | 112 Ų | 112 | 93 Ų | 93 | 93% | 0.926 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -59.1 | 84.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111 | A191 | A191-A193 PolarHBondContact O-N 3.48Š|
| 194 | S | 39.6 | Very low | 49 | Very low | 89 Ų | 89 | 89 Ų | 89 | 62% | 0.622 | 60% | 0.599 | S | S | * | * | trans | -112 | 119.9 | 163.6 | -172.6 | 0 | 0 | 0 | 0 | 106.6 | D192 Q196 | D192-S194 PolarHBondContact O-N 3.3Å; S194-Q196 VanDerWaalsContact C-N 3.34Å; S194-Q196 PolarHBondContact O-N 2.89Å | ||
| 195 | P | 41.1 | Very low | 47.2 | Very low | 121 Ų | 121 | 95 Ų | 95 | 79% | 0.786 | 64% | 0.641 | S | S | * | * | trans | -69.9 | 95.6 | 176.3 | 29.2 | -30 | 0 | 0 | 0 | 107.5 | A197 | P195-A197 PolarHBondContact O-N 3.48Š| ||
| 196 | Q | 39.1 | Very low | 45.9 | Very low | 185 Ų | 185 | 97.7 Ų | 97.7 | 86% | 0.864 | 67% | 0.671 | S | S | * | * | trans | -74.5 | 83.9 | 162.6 | -74.5 | -137.2 | -10.3 | 0 | 0 | 108.2 | S194 | S194-Q196 VanDerWaalsContact C-N 3.34Å; S194-Q196 PolarHBondContact O-N 2.89Å | ||
| 197 | A | 37.8 | Very low | 44.6 | Very low | 88 Ų | 88 | 102.6 Ų | 102.6 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | trans | -52.7 | 138.8 | 147.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | P195 | P195-A197 PolarHBondContact O-N 3.48Š| ||
| 198 | G | 41.3 | Very low | 44 | Very low | 66 Ų | 66 | 99.7 Ų | 99.7 | 68% | 0.68 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -64.7 | -177.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 199 | T | 36.2 | Very low | 43.2 | Very low | 139 Ų | 139 | 103 Ų | 103 | 85% | 0.853 | 72% | 0.721 | S | S | * | * | trans | 90.9 | 102.1 | 168.1 | -25.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 200 | S | 39.4 | Very low | 42.1 | Very low | 117 Ų | 117 | 107.4 Ų | 107.4 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -54.4 | 144.9 | 165.2 | -23.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 201 | P | 40.2 | Very low | 41.4 | Very low | 115 Ų | 115 | 118.1 Ų | 118.1 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | trans | -121.1 | 164.4 | 144.4 | 7.8 | 14.7 | 0 | 0 | 0 | 112.5 | ||||
| 202 | P | 44.9 | Very low | 40.6 | Very low | 119 Ų | 119 | 119.7 Ų | 119.7 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -83.1 | 170.7 | -158.9 | 35.1 | -35.6 | 0 | 0 | 0 | 113.9 | ||||
| 203 | P | 46.1 | Very low | 40.1 | Very low | 132 Ų | 132 | 119.4 Ų | 119.4 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | trans | -81.5 | 133.8 | -175.8 | 33.5 | -31.3 | 0 | 0 | 0 | 110.5 | ||||
| 204 | G | 36 | Very low | 39.7 | Very low | 73 Ų | 73 | 118.4 Ų | 118.4 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | trans | -178.7 | 116.1 | 173 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 205 | S | 35.7 | Very low | 39.5 | Very low | 129 Ų | 129 | 121.2 Ų | 121.2 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | 72 | 114.2 | 154.3 | -151.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 206 | G | 39.1 | Very low | 39.5 | Very low | 70 Ų | 70 | 126.7 Ų | 126.7 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | -87.3 | 173.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 207 | D | 35.2 | Very low | 39.3 | Very low | 158 Ų | 158 | 120.8 Ų | 120.8 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | -158 | 143.9 | 134.2 | 50.6 | 13.7 | 0 | 0 | 0 | 108.6 | ||||
| 208 | A | 46.7 | Very low | 39.4 | Very low | 101 Ų | 101 | 123 Ų | 123 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | trans | -95 | 134.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 209 | S | 46.6 | Very low | 39 | Very low | 103 Ų | 103 | 127.2 Ų | 127.2 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | trans | -174.9 | 151.4 | 154 | 59.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 210 | D | 38 | Very low | 39 | Very low | 111 Ų | 111 | 126 Ų | 126 | 59% | 0.594 | 78% | 0.779 | S | S | * | * | cis | -173.1 | 131.1 | -1.1 | -131 | -27.6 | 0 | 0 | 0 | 102.7 | ||||
| 211 | W | 38.6 | Very low | 39.8 | Very low | 266 Ų | 266 | 125.5 Ų | 125.5 | 100% | 1.008 | 77% | 0.773 | S | S | * | * | trans | -160.2 | 76.9 | 145.2 | -79.9 | 100.4 | 0 | 0 | 0 | 105.5 | ||||
| 212 | T | 38.1 | Very low | 39.6 | Very low | 107 Ų | 107 | 128 Ų | 128 | 66% | 0.656 | 78% | 0.78 | S | S | * | * | trans | -87.5 | 157.4 | 170.6 | 65.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 213 | S | 34.3 | Very low | 39.1 | Very low | 107 Ų | 107 | 126 Ų | 126 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | 77.9 | 146.9 | 150.8 | -83.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 214 | S | 40.1 | Very low | 38.9 | Very low | 91 Ų | 91 | 125 Ų | 125 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | cis | 173.6 | 150.1 | -12.6 | -92.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 215 | D | 35.5 | Very low | 38.8 | Very low | 147 Ų | 147 | 125.3 Ų | 125.3 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | -169.2 | 100.9 | 130.4 | -115.8 | -43 | 0 | 0 | 0 | 108.4 | ||||
| 216 | R | 40.1 | Very low | 38.7 | Very low | 236 Ų | 236 | 123.4 Ų | 123.4 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | 57.3 | 135 | 99.1 | -67.5 | -166.7 | -178.1 | -150.9 | 4.6 | 114.8 | |||||
| 217 | G | 35.3 | Very low | 38.4 | Very low | 62 Ų | 62 | 123.8 Ų | 123.8 | 64% | 0.639 | 79% | 0.792 | S | S | * | * | cis | 175.9 | -177.7 | 4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 218 | V | 39.3 | Very low | 38.5 | Very low | 135 Ų | 135 | 120.6 Ų | 120.6 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 60.7 | 129.7 | 158.3 | -79.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 219 | D | 33.2 | Very low | 37.7 | Very low | 153 Ų | 153 | 119.4 Ų | 119.4 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | cis | -146.9 | 148.9 | 33.3 | -79.6 | -72.1 | 0 | 0 | 0 | 113.6 | ||||
| 220 | S | 37.2 | Very low | 37.6 | Very low | 114 Ų | 114 | 120 Ų | 120 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -89.3 | -170.6 | 169.3 | -70.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 221 | P | 56.6 | Low | 37.9 | Very low | 106 Ų | 106 | 123.8 Ų | 123.8 | 69% | 0.688 | 81% | 0.812 | S | S | * | * | cis | -131.5 | 172.3 | -22.5 | 20.4 | 3.8 | 0 | 0 | 0 | 112.9 | ||||
| 222 | D | 36 | Very low | 37.8 | Very low | 168 Ų | 168 | 115.6 Ų | 115.6 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | 169.7 | 141.7 | 124.8 | -91 | -18.2 | 0 | 0 | 0 | 112.6 | |||||
| 223 | G | 34.6 | Very low | 38 | Very low | 78 Ų | 78 | 115.5 Ų | 115.5 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | 137.1 | 83 | 159.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 224 | A | 40.9 | Very low | 38.1 | Very low | 111 Ų | 111 | 114.8 Ų | 114.8 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | trans | -54.3 | 153.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 225 | G | 33.3 | Very low | 38.1 | Very low | 78 Ų | 78 | 114.7 Ų | 114.7 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | 164.9 | 93.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 226 | G | 34.8 | Very low | 38.4 | Very low | 89 Ų | 89 | 112.5 Ų | 112.5 | 92% | 0.918 | 81% | 0.814 | S | S | * | * | trans | -71.5 | 166.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 227 | G | 32.9 | Very low | 38.7 | Very low | 79 Ų | 79 | 111.7 Ų | 111.7 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | trans | 168.8 | 95.4 | 171 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 228 | G | 36.8 | Very low | 39.4 | Very low | 90 Ų | 90 | 115.8 Ų | 115.8 | 93% | 0.928 | 82% | 0.818 | S | S | * | * | trans | -61 | 146 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 229 | G | 30.3 | Very low | 39.7 | Very low | 77 Ų | 77 | 113 Ų | 113 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | -164.1 | 86.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 230 | S | 44 | Very low | 40.6 | Very low | 115 Ų | 115 | 110.8 Ų | 110.8 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -63.2 | 144.9 | 168 | -55.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 231 | E | 43.7 | Very low | 41.5 | Very low | 191 Ų | 191 | 110.2 Ų | 110.2 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | trans | 71 | 94.8 | 153 | -33.1 | -147.4 | 121.9 | 0 | 0 | 117.5 | ||||
| 232 | A | 36.8 | Very low | 42.1 | Very low | 94 Ų | 94 | 111.1 Ų | 111.1 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | -151.1 | 103.3 | 120.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | A234 | A232-A234 PolarHBondContact O-N 3.16Š| |||
| 233 | A | 42.6 | Very low | 43.9 | Very low | 104 Ų | 104 | 104.8 Ų | 104.8 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | -54.7 | 91.8 | 155.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | S235 | A233-S235 PolarHBondContact O-N 3.33Š| ||
| 234 | A | 35.8 | Very low | 46.2 | Very low | 93 Ų | 93 | 104.2 Ų | 104.2 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | -66.5 | 86.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 105.1 | A232 A236 | A232-A234 PolarHBondContact O-N 3.16Å; A234-A236 PolarHBondContact O-N 2.75Å | ||
| 235 | S | 41.3 | Very low | 48.1 | Very low | 88 Ų | 88 | 102.1 Ų | 102.1 | 62% | 0.615 | 72% | 0.723 | S | S | * | * | trans | -31.7 | 109.4 | 157.4 | 173.1 | 0 | 0 | 0 | 0 | 106.6 | A233 R237 | A233-S235 PolarHBondContact O-N 3.33Å; S235-R237 PolarHBondContact O-N 2.84Å | ||
| 236 | A | 40.4 | Very low | 50.6 | Low | 102 Ų | 102 | 103.8 Ų | 103.8 | 84% | 0.843 | 72% | 0.717 | S | S | * | * | trans | -59.9 | 79.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 106 | A234 D238 | A234-A236 PolarHBondContact O-N 2.75Å; A236-D238 PolarHBondContact O-N 3.26Å | ||
| 237 | R | 47.9 | Very low | 53 | Low | 219 Ų | 219 | 103.2 Ų | 103.2 | 83% | 0.826 | 69% | 0.691 | S | S | * | * | trans | -68.8 | 87.3 | 171.5 | -79.5 | -162 | 175.2 | -173.6 | 0.8 | 105.1 | S235 G239 | S235-R237 PolarHBondContact O-N 2.84Å; R237-G239 VanDerWaalsContact C-N 3.27Å; R237-G239 PolarHBondContact O-N 3.05Å | ||
| 238 | D | 48.8 | Very low | 55.4 | Low | 147 Ų | 147 | 100.7 Ų | 100.7 | 79% | 0.786 | 66% | 0.657 | S | S | * | * | trans | 38.4 | 60.6 | 147.6 | -148 | 2.9 | 0 | 0 | 0 | 111.8 | A236 R240 | A236-D238 PolarHBondContact O-N 3.26Å; D238-R240 PolarHBondContact O-N 3.05Å | ||
| 239 | G | 45.4 | Very low | 57.8 | Low | 78 Ų | 78 | 99.4 Ų | 99.4 | 80% | 0.804 | 63% | 0.629 | S | S | * | * | trans | -74.5 | 30.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R237 | R237-G239 VanDerWaalsContact C-N 3.27Å; R237-G239 PolarHBondContact O-N 3.05Å | ||
| 240 | R | 53.6 | Low | 60.6 | Low | 105 Ų | 105 | 98 Ų | 98 | 40% | 0.396 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -77.8 | 123 | 175.8 | -161.4 | 171.7 | -169 | -171.7 | 7.3 | 107.6 | G190 D192 D238 | G190-R240 PolarHBondContact O-NH1 3.16Å; D192-R240 IonicContact OD1-CZ 2.69Å; D192-R240 IonicContact OD1-NH1 2.85Å; D192-R240 PolarHBondContact OD1-NH1 2.8Å; D192-R240 IonicContact OD1-NH2 3.39Å; D192-R240 PolarHBondContact OD1-NH2 3.2Å; D238-R240 PolarHBondContact O-N 3.05Å |
| 241 | P | 56.1 | Low | 62.5 | Low | 103 Ų | 103 | 96.2 Ų | 96.2 | 67% | 0.669 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 139.4 | 179.1 | 21 | -30.7 | 0 | 0 | 0 | 109.4 | V243 | P241-V243 PolarHBondContact O-N 2.89Å; P241-V243 VanDerWaalsContact O-N 3.1Å |
| 242 | P | 68.1 | Low | 64.4 | Low | 124 Ų | 124 | 87.5 Ų | 87.5 | 81% | 0.805 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -56 | 122.9 | 179.8 | 23.2 | -33.1 | 0 | 0 | 0 | 108.9 | S244 | P242-S244 PolarHBondContact O-N 3.38Š|
| 243 | V | 73.1 | Confident | 66.7 | Low | 35 Ų | 35 | 87.5 Ų | 87.5 | 21% | 0.212 | 53% | 0.531 | C | S | . | . | P | Polyproline II helix | trans | -54 | 124.2 | 176.7 | -83.5 | 0 | 0 | 0 | 0 | 109.7 | W189 P241 E247 | W189-V243 HydrophobicContact CB-CG2 4.41Å; W189-V243 HydrophobicContact CE3-CG2 3.72Å; W189-V243 HydrophobicContact CZ3-CG2 4.49Å; P241-V243 PolarHBondContact O-N 2.89Å; P241-V243 VanDerWaalsContact O-N 3.1Å; V243-E247 HydrophobicContact CB-CG 4.45Å; V243-E247 HydrophobicContact CG1-CG 4.26Å |
| 244 | S | 82.9 | Confident | 68.8 | Low | 66 Ų | 66 | 89.5 Ų | 89.5 | 46% | 0.462 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 155.5 | -177.9 | 78.8 | 0 | 0 | 0 | 0 | 111 | P242 V246 E247 R248 | P242-S244 PolarHBondContact O-N 3.38Å; S244-V246 PolarHBondContact O-N 3.05Å; S244-E247 PolarHBondContact O-N 3Å; S244-E247 WeakPolarHBondContact OG-CB 3.39Å; S244-E247 PolarHBondContact OG-N 3.22Å; S244-E247 VanDerWaalsContact OG-N 3.12Å; S244-R248 WeakPolarHBondContact O-CB 3.46Å; S244-R248 PolarHBondContact O-N 3.12Å |
| 245 | V | 82.1 | Confident | 71 | Confident | 67 Ų | 67 | 88.8 Ų | 88.8 | 41% | 0.406 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.5 | -34.4 | 175.5 | 176 | 0 | 0 | 0 | 0 | 111.4 | N249 | V245-N249 WeakPolarHBondContact O-CB 3.01Å; V245-N249 PolarHBondContact O-N 3.18Å; V245-N249 PolarHBondContact O-ND2 3.31Å; V245-N249 PolarHBondContact O-OD1 2.86Å |
| 246 | V | 84.6 | Confident | 73.1 | Confident | 113 Ų | 113 | 87.9 Ų | 87.9 | 69% | 0.685 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.5 | -46.5 | 178.7 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | S244 R248 N249 A250 | S244-V246 PolarHBondContact O-N 3.05Å; V246-R248 PolarHBondContact O-N 2.99Å; V246-N249 PolarHBondContact O-N 3.02Å; V246-A250 PolarHBondContact O-N 3.29Å |
| 247 | E | 86.1 | Confident | 75.1 | Confident | 78 Ų | 78 | 90.1 Ų | 90.1 | 36% | 0.364 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 177.3 | 176.6 | 62.2 | -162.9 | 0 | 0 | 111.3 | V243 S244 N249 A250 R251 | V243-E247 HydrophobicContact CB-CG 4.45Å; V243-E247 HydrophobicContact CG1-CG 4.26Å; S244-E247 PolarHBondContact O-N 3Å; S244-E247 WeakPolarHBondContact OG-CB 3.39Å; S244-E247 PolarHBondContact OG-N 3.22Å; S244-E247 VanDerWaalsContact OG-N 3.12Å; E247-N249 VanDerWaalsContact C-N 3.35Å; E247-N249 PolarHBondContact O-N 2.75Å; E247-A250 PolarHBondContact O-N 3.05Å; E247-R251 WeakPolarHBondContact O-CG 3.43Å; E247-R251 PolarHBondContact O-N 3.1Å; E247-R251 IonicContact OE1-CZ 2.66Å; E247-R251 IonicContact OE1-NE 3.52Å; E247-R251 PolarHBondContact OE1-NE 3.15Å; E247-R251 IonicContact OE1-NH2 3.02Å; E247-R251 PolarHBondContact OE1-NH2 2.98Å |
| 248 | R | 84.3 | Confident | 76.7 | Confident | 26 Ų | 26 | 81.1 Ų | 81.1 | 10% | 0.098 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -54.8 | -48.8 | 173.8 | 156.2 | -175.8 | -35.1 | -171 | -3.4 | 111.8 | F166 C169 W189 S244 V246 A250 R251 V252 | F166-R248 WeakPolarHBondContact O-CD 3.38Å; F166-R248 PolarHBondContact O-NH1 3.2Å; C169-R248 WeakPolarHBondContact SG-CG 3.4Å; W189-R248 HydrophobicContact CE3-CB 4.23Å; W189-R248 HydrophobicContact CE3-CG 4.31Å; W189-R248 HydrophobicContact CH2-CB 3.98Å; W189-R248 HydrophobicContact CH2-CG 3.18Å; W189-R248 HydrophobicContact CZ2-CB 4.45Å; W189-R248 HydrophobicContact CZ2-CG 3.7Å; W189-R248 HydrophobicContact CZ3-CB 3.88Å; W189-R248 VanDerWaalsContact CZ3-CD 3.44Å; W189-R248 HydrophobicContact CZ3-CG 3.57Å; S244-R248 WeakPolarHBondContact O-CB 3.46Å; S244-R248 PolarHBondContact O-N 3.12Å; V246-R248 PolarHBondContact O-N 2.99Å; R248-A250 PolarHBondContact O-N 3.41Å; R248-R251 PolarHBondContact O-N 3.2Å; R248-V252 PolarHBondContact O-N 3.42Å; R248-V252 VanDerWaalsContact O-N 3.17Å |
| 249 | N | 86.8 | Confident | 77.9 | Confident | 63 Ų | 63 | 76 Ų | 76 | 34% | 0.337 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.6 | -39.2 | 179.2 | -72.7 | -10.6 | 0 | 0 | 0 | 112 | C169 V245 V246 E247 V252 I253 | C169-N249 PolarHBondContact SG-OD1 2.84Å; C169-N249 VanDerWaalsContact SG-OD1 3.37Å; V245-N249 WeakPolarHBondContact O-CB 3.01Å; V245-N249 PolarHBondContact O-N 3.18Å; V245-N249 PolarHBondContact O-ND2 3.31Å; V245-N249 PolarHBondContact O-OD1 2.86Å; V246-N249 PolarHBondContact O-N 3.02Å; E247-N249 VanDerWaalsContact C-N 3.35Å; E247-N249 PolarHBondContact O-N 2.75Å; N249-V252 PolarHBondContact O-N 2.94Å; N249-I253 WeakPolarHBondContact O-CD1 3.48Å; N249-I253 VanDerWaalsContact O-CG1 3.26Å; N249-I253 WeakPolarHBondContact O-CG1 3.49Å; N249-I253 PolarHBondContact O-N 2.87Å |
| 250 | A | 89.1 | Confident | 79.3 | Confident | 48 Ų | 48 | 78.3 Ų | 78.3 | 40% | 0.397 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V246 E247 R248 V252 I253 Q254 | V246-A250 PolarHBondContact O-N 3.29Å; E247-A250 PolarHBondContact O-N 3.05Å; R248-A250 PolarHBondContact O-N 3.41Å; A250-V252 PolarHBondContact O-N 3.42Å; A250-I253 PolarHBondContact O-N 3.33Å; A250-Q254 WeakPolarHBondContact O-CB 3.31Å; A250-Q254 PolarHBondContact O-N 3.05Å |
| 251 | R | 82.9 | Confident | 80.2 | Confident | 76 Ų | 76 | 81.5 Ų | 81.5 | 29% | 0.287 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 177.7 | -69.3 | -179.9 | -176.1 | -159.3 | -0.3 | 112.7 | W189 E247 R248 Q254 W255 | W189-R251 PolarHBondContact O-NH1 3.17Å; E247-R251 WeakPolarHBondContact O-CG 3.43Å; E247-R251 PolarHBondContact O-N 3.1Å; E247-R251 IonicContact OE1-CZ 2.66Å; E247-R251 IonicContact OE1-NE 3.52Å; E247-R251 PolarHBondContact OE1-NE 3.15Å; E247-R251 IonicContact OE1-NH2 3.02Å; E247-R251 PolarHBondContact OE1-NH2 2.98Å; R248-R251 PolarHBondContact O-N 3.2Å; R251-Q254 PolarHBondContact O-N 3.1Å; R251-W255 VanDerWaalsContact O-CB 3.27Å; R251-W255 WeakPolarHBondContact O-CB 3.46Å; R251-W255 PolarHBondContact O-N 3.3Å |
| 252 | V | 84.8 | Confident | 80.3 | Confident | 9 Ų | 9 | 79.7 Ų | 79.7 | 6% | 0.055 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 176.4 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | C169 L171 F184 R248 N249 A250 W255 L256 | C169-V252 HydrophobicContact CB-CB 4.24Å; C169-V252 HydrophobicContact CB-CG1 4.19Å; C169-V252 HydrophobicContact CB-CG2 3.96Å; C169-V252 WeakPolarHBondContact SG-CG2 3.4Å; L171-V252 HydrophobicContact CD1-CG1 4.1Å; F184-V252 HydrophobicContact CD1-CG2 3.66Å; F184-V252 HydrophobicContact CE1-CG1 4.13Å; F184-V252 HydrophobicContact CE1-CG2 3.85Å; R248-V252 PolarHBondContact O-N 3.42Å; R248-V252 VanDerWaalsContact O-N 3.17Å; N249-V252 PolarHBondContact O-N 2.94Å; A250-V252 PolarHBondContact O-N 3.42Å; V252-W255 PolarHBondContact O-N 3.4Å; V252-L256 HydrophobicContact CG1-CD1 4.01Å; V252-L256 HydrophobicContact CG1-CG 4.38Å; V252-L256 WeakPolarHBondContact O-CB 3.14Å; V252-L256 VanDerWaalsContact O-CG 3.29Å; V252-L256 WeakPolarHBondContact O-CG 3.27Å; V252-L256 PolarHBondContact O-N 3.14Å |
| 253 | I | 85.3 | Confident | 80.1 | Confident | 93 Ų | 93 | 81 Ų | 81 | 48% | 0.477 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.1 | -49.6 | 176.4 | -68.4 | 166.2 | 0 | 0 | 0 | 110.2 | N249 A250 W255 L256 Y257 | N249-I253 WeakPolarHBondContact O-CD1 3.48Å; N249-I253 VanDerWaalsContact O-CG1 3.26Å; N249-I253 WeakPolarHBondContact O-CG1 3.49Å; N249-I253 PolarHBondContact O-N 2.87Å; A250-I253 PolarHBondContact O-N 3.33Å; I253-W255 VanDerWaalsContact C-N 3.29Å; I253-W255 PolarHBondContact O-N 3.05Å; I253-L256 PolarHBondContact O-N 2.74Å; I253-Y257 HydrophobicContact CG2-CD2 3.63Å; I253-Y257 HydrophobicContact CG2-CE2 3.54Å; I253-Y257 WeakPolarHBondContact O-CD2 3.13Å; I253-Y257 PolarHBondContact O-N 3.37Å |
| 254 | Q | 85.1 | Confident | 79.4 | Confident | 147 Ų | 147 | 81.5 Ų | 81.5 | 69% | 0.687 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -58.7 | -41.6 | 178.3 | -177.1 | 175.6 | -10.1 | 0 | 0 | 111.9 | A250 R251 Y257 G258 | A250-Q254 WeakPolarHBondContact O-CB 3.31Å; A250-Q254 PolarHBondContact O-N 3.05Å; R251-Q254 PolarHBondContact O-N 3.1Å; Q254-Y257 PolarHBondContact O-N 3.29Å; Q254-G258 PolarHBondContact O-N 2.78Å |
| 255 | W | 83.1 | Confident | 78.2 | Confident | 78 Ų | 78 | 83.4 Ų | 83.4 | 30% | 0.295 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.6 | -44.2 | 177.5 | 177.8 | 81.4 | 0 | 0 | 0 | 112.3 | L179 F184 R251 V252 I253 Y257 G258 C259 | L179-W255 HydrophobicContact CB-CH2 3.71Å; L179-W255 HydrophobicContact CB-CZ2 4.47Å; L179-W255 HydrophobicContact CB-CZ3 4.49Å; L179-W255 HydrophobicContact CD1-CH2 3.31Å; L179-W255 HydrophobicContact CD1-CZ3 3.44Å; L179-W255 VanDerWaalsContact CD1-CZ3 3.44Å; L179-W255 HydrophobicContact CD2-CH2 3.67Å; L179-W255 HydrophobicContact CD2-CZ2 4.45Å; L179-W255 HydrophobicContact CG-CH2 3.69Å; L179-W255 HydrophobicContact CG-CZ3 4.33Å; F184-W255 HydrophobicContact CE1-CE3 4.19Å; F184-W255 HydrophobicContact CE1-CZ3 4.24Å; F184-W255 AromaticContact CZ-CE3 3.96Å; F184-W255 HydrophobicContact CZ-CE3 3.96Å; F184-W255 AromaticContact CZ-CH2 3.98Å; F184-W255 HydrophobicContact CZ-CH2 3.98Å; F184-W255 AromaticContact CZ-CZ3 3.6Å; F184-W255 HydrophobicContact CZ-CZ3 3.6Å; R251-W255 VanDerWaalsContact O-CB 3.27Å; R251-W255 WeakPolarHBondContact O-CB 3.46Å; R251-W255 PolarHBondContact O-N 3.3Å; V252-W255 PolarHBondContact O-N 3.4Å; I253-W255 VanDerWaalsContact C-N 3.29Å; I253-W255 PolarHBondContact O-N 3.05Å; W255-Y257 VanDerWaalsContact C-N 3.33Å; W255-Y257 PolarHBondContact O-N 3.04Å; W255-G258 CarbonylContact O-C 3.58Å; W255-G258 WeakPolarHBondContact O-CA 3.39Å; W255-G258 PolarHBondContact O-N 3.06Å; W255-G258 VanDerWaalsContact O-N 3.08Å; W255-C259 VanDerWaalsContact CZ2-SG 3.5Å; W255-C259 PolarHBondContact O-N 3.18Å; W255-C259 PolarHBondContact O-SG 3.31Å; W255-C259 VanDerWaalsContact O-SG 3.39Å |
| 256 | L | 84.4 | Confident | 76.7 | Confident | 69 Ų | 69 | 83.8 Ų | 83.8 | 36% | 0.361 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59 | -44.5 | 176 | -74.4 | 171.1 | 0 | 0 | 0 | 111.6 | V252 I253 G258 C259 Q260 | V252-L256 HydrophobicContact CG1-CD1 4.01Å; V252-L256 HydrophobicContact CG1-CG 4.38Å; V252-L256 WeakPolarHBondContact O-CB 3.14Å; V252-L256 VanDerWaalsContact O-CG 3.29Å; V252-L256 WeakPolarHBondContact O-CG 3.27Å; V252-L256 PolarHBondContact O-N 3.14Å; I253-L256 PolarHBondContact O-N 2.74Å; L256-G258 VanDerWaalsContact C-N 3.34Å; L256-C259 PolarHBondContact O-N 2.93Å; L256-Q260 PolarHBondContact O-N 2.92Å |
| 257 | Y | 83.1 | Confident | 75.2 | Confident | 148 Ų | 148 | 89.1 Ų | 89.1 | 58% | 0.58 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -65.6 | -37 | 174.1 | -80.2 | -68.1 | 0 | 0 | 0 | 112.3 | I253 Q254 W255 Q260 R261 | I253-Y257 HydrophobicContact CG2-CD2 3.63Å; I253-Y257 HydrophobicContact CG2-CE2 3.54Å; I253-Y257 WeakPolarHBondContact O-CD2 3.13Å; I253-Y257 PolarHBondContact O-N 3.37Å; Q254-Y257 PolarHBondContact O-N 3.29Å; W255-Y257 VanDerWaalsContact C-N 3.33Å; W255-Y257 PolarHBondContact O-N 3.04Å; Y257-Q260 PolarHBondContact O-N 2.93Å; Y257-R261 WeakPolarHBondContact O-CG 3.38Å; Y257-R261 PolarHBondContact O-N 2.65Å |
| 258 | G | 80.8 | Confident | 73.5 | Confident | 31 Ų | 31 | 93.2 Ų | 93.2 | 32% | 0.32 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59 | -46.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q254 W255 L256 Q260 R261 A262 | Q254-G258 PolarHBondContact O-N 2.78Å; W255-G258 CarbonylContact O-C 3.58Å; W255-G258 WeakPolarHBondContact O-CA 3.39Å; W255-G258 PolarHBondContact O-N 3.06Å; W255-G258 VanDerWaalsContact O-N 3.08Å; L256-G258 VanDerWaalsContact C-N 3.34Å; G258-Q260 VanDerWaalsContact C-N 3.34Å; G258-Q260 PolarHBondContact O-N 2.8Å; G258-R261 PolarHBondContact O-N 2.91Å; G258-A262 PolarHBondContact O-N 3.24Å |
| 259 | C | 75.4 | Confident | 72.1 | Confident | 39 Ų | 39 | 97.1 Ų | 97.1 | 26% | 0.264 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.2 | -40 | 175 | -68 | 0 | 0 | 0 | 0 | 112.3 | W255 L256 A262 R263 | W255-C259 VanDerWaalsContact CZ2-SG 3.5Å; W255-C259 PolarHBondContact O-N 3.18Å; W255-C259 PolarHBondContact O-SG 3.31Å; W255-C259 VanDerWaalsContact O-SG 3.39Å; L256-C259 PolarHBondContact O-N 2.93Å; C259-A262 PolarHBondContact O-N 2.77Å; C259-R263 WeakPolarHBondContact O-CG 3.49Å; C259-R263 PolarHBondContact O-N 2.75Å; C259-R263 VanDerWaalsContact O-N 3.08Å |
| 260 | Q | 74.1 | Confident | 70.4 | Confident | 127 Ų | 127 | 103 Ų | 103 | 59% | 0.593 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.4 | -41 | 177.4 | -170.3 | 173.4 | 17.4 | 0 | 0 | 111.8 | L256 Y257 G258 R263 G264 | L256-Q260 PolarHBondContact O-N 2.92Å; Y257-Q260 PolarHBondContact O-N 2.93Å; G258-Q260 VanDerWaalsContact C-N 3.34Å; G258-Q260 PolarHBondContact O-N 2.8Å; Q260-R263 PolarHBondContact O-N 2.84Å; Q260-G264 PolarHBondContact O-N 3.46Å |
| 261 | R | 72.3 | Confident | 68 | Low | 172 Ų | 172 | 111.1 Ų | 111.1 | 65% | 0.649 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.3 | -42.6 | 174.2 | -75.6 | -179.1 | 57.3 | -118.4 | -7.7 | 112.4 | Y257 G258 R263 G264 L265 | Y257-R261 WeakPolarHBondContact O-CG 3.38Å; Y257-R261 PolarHBondContact O-N 2.65Å; G258-R261 PolarHBondContact O-N 2.91Å; R261-R263 VanDerWaalsContact C-N 3.27Å; R261-R263 PolarHBondContact O-N 2.78Å; R261-G264 PolarHBondContact O-N 3.26Å; R261-G264 VanDerWaalsContact O-N 3.12Å; R261-L265 WeakPolarHBondContact O-CG 3.38Å; R261-L265 PolarHBondContact O-N 3.36Å |
| 262 | A | 59 | Low | 67.2 | Low | 65 Ų | 65 | 112.9 Ų | 112.9 | 54% | 0.537 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.5 | -33.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G258 C259 | G258-A262 PolarHBondContact O-N 3.24Å; C259-A262 PolarHBondContact O-N 2.77Å |
| 263 | R | 64.1 | Low | 66.3 | Low | 152 Ų | 152 | 118.3 Ų | 118.3 | 57% | 0.574 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -72.5 | -28.5 | 173.6 | -71 | 172.5 | 179.3 | -172.9 | -1.6 | 113.4 | C259 Q260 R261 | C259-R263 WeakPolarHBondContact O-CG 3.49Å; C259-R263 PolarHBondContact O-N 2.75Å; C259-R263 VanDerWaalsContact O-N 3.08Å; Q260-R263 PolarHBondContact O-N 2.84Å; R261-R263 VanDerWaalsContact C-N 3.27Å; R261-R263 PolarHBondContact O-N 2.78Å |
| 264 | G | 57.9 | Low | 65.3 | Low | 44 Ų | 44 | 119.7 Ų | 119.7 | 45% | 0.454 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -76.9 | -38.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q260 R261 A266 R267 | Q260-G264 PolarHBondContact O-N 3.46Å; R261-G264 PolarHBondContact O-N 3.26Å; R261-G264 VanDerWaalsContact O-N 3.12Å; G264-A266 VanDerWaalsContact C-N 3.31Å; G264-A266 PolarHBondContact O-N 3.45Å; G264-R267 PolarHBondContact O-N 3.41Å |
| 265 | L | 56.4 | Low | 64.1 | Low | 107 Ų | 107 | 118.1 Ų | 118.1 | 56% | 0.56 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -71.9 | -21.5 | -178.7 | -71.6 | 164.5 | 0 | 0 | 0 | 113.7 | R261 R267 | R261-L265 WeakPolarHBondContact O-CG 3.38Å; R261-L265 PolarHBondContact O-N 3.36Å; L265-R267 PolarHBondContact O-N 3.45Å |
| 266 | A | 51.9 | Low | 62.9 | Low | 75 Ų | 75 | 120.6 Ų | 120.6 | 62% | 0.62 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 3.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G264 | G264-A266 VanDerWaalsContact C-N 3.31Å; G264-A266 PolarHBondContact O-N 3.45Å |
| 267 | R | 52.3 | Low | 61.5 | Low | 224 Ų | 224 | 124.1 Ų | 124.1 | 85% | 0.845 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | -2.8 | -177.9 | -72.5 | -83.4 | 167.8 | 177.1 | -8 | 114.1 | G264 L265 | G264-R267 PolarHBondContact O-N 3.41Å; L265-R267 PolarHBondContact O-N 3.45Å |
| 268 | E | 51.2 | Low | 59.9 | Low | 165 Ų | 165 | 122.4 Ų | 122.4 | 77% | 0.771 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -109.4 | 3.9 | -172.9 | -69.5 | -179.4 | 164.5 | 0 | 0 | 114.5 | ||
| 269 | S | 53.9 | Low | 58.3 | Low | 107 Ų | 107 | 129.4 Ų | 129.4 | 75% | 0.748 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -110.7 | 59.2 | 178.7 | 61.8 | 0 | 0 | 0 | 0 | 112.1 | ||
| 270 | E | 52.2 | Low | 56.9 | Low | 186 Ų | 186 | 136.9 Ų | 136.9 | 87% | 0.869 | 71% | 0.712 | S | S | * | * | trans | -162.6 | 80.5 | 158.9 | -165.3 | 175.5 | -172.7 | 0 | 0 | 109.2 | ||||
| 271 | V | 37.7 | Very low | 55.4 | Low | 219 Ų | 219 | 137.8 Ų | 137.8 | 100% | 1.327 | 72% | 0.723 | S | S | * | * | trans | -150.5 | 0 | 146.8 | -175.9 | 0 | 0 | 0 | 0 | 107.8 |
Retrieved 271 of 271 residues in 111.8 ms
(Link to these results)