| 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 | 32.2 | Very low | 39.9 | Very low | 232 Ų | 232 | 164.6 Ų | 164.6 | 100% | 1.143 | 82% | 0.82 | S | S | * | * | 0 | 147.6 | 0 | -77.4 | -59 | -102.6 | 0 | 0 | 108 | |||||
| 2 | P | 54.3 | Low | 39.3 | Very low | 97 Ų | 97 | 160 Ų | 160 | 63% | 0.63 | 82% | 0.816 | S | S | * | * | -114.5 | -178.8 | -107.6 | 21.6 | 2.4 | 0 | 0 | 0 | 112.1 | |||||
| 3 | L | 40.3 | Very low | 39.1 | Very low | 151 Ų | 151 | 153.9 Ų | 153.9 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | -176.3 | 123.9 | 73.1 | -75.8 | 160 | 0 | 0 | 0 | 108.2 | |||||
| 4 | K | 40 | Very low | 38.9 | Very low | 182 Ų | 182 | 150.3 Ų | 150.3 | 79% | 0.791 | 82% | 0.82 | S | S | * | * | 52.8 | 109.8 | 89.3 | -83.9 | -171.1 | -179.1 | 179.2 | 0 | 116.7 | |||||
| 5 | N | 37.3 | Very low | 39.3 | Very low | 132 Ų | 132 | 153.1 Ų | 153.1 | 71% | 0.706 | 83% | 0.825 | S | S | * | * | 165.4 | 135.9 | 97.4 | -90.7 | -23.6 | 0 | 0 | 0 | 115.5 | |||||
| 6 | K | 42.3 | Very low | 39.9 | Very low | 165 Ų | 165 | 156.2 Ų | 156.2 | 72% | 0.717 | 83% | 0.828 | S | S | * | * | trans | 52.8 | 144.5 | 134.2 | -69 | 179.4 | 161.2 | -150 | 0 | 120.3 | ||||
| 7 | E | 36.8 | Very low | 40.1 | Very low | 147 Ų | 147 | 158.5 Ų | 158.5 | 69% | 0.687 | 83% | 0.83 | S | S | * | * | cis | -167.5 | 144.6 | 19.4 | -125.2 | 159.2 | -156.4 | 0 | 0 | 111.6 | ||||
| 8 | K | 39.4 | Very low | 40.8 | Very low | 208 Ų | 208 | 158.2 Ų | 158.2 | 90% | 0.904 | 82% | 0.821 | S | S | * | * | trans | 15.6 | 131.2 | 148.8 | -73.1 | 169.6 | 173.2 | 173.7 | 0 | 122.7 | ||||
| 9 | G | 34.4 | Very low | 41.2 | Very low | 83 Ų | 83 | 156.3 Ų | 156.3 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | -165.5 | 104.8 | 149.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 10 | K | 45 | Very low | 41.7 | Very low | 212 Ų | 212 | 156.2 Ų | 156.2 | 92% | 0.922 | 80% | 0.8 | S | S | * | * | trans | -95.4 | 123.9 | -175.1 | -143.4 | -179.6 | -172.8 | -178.9 | 0 | 109.3 | ||||
| 11 | K | 36.7 | Very low | 42.5 | Very low | 202 Ų | 202 | 151.4 Ų | 151.4 | 88% | 0.878 | 79% | 0.79 | S | S | * | * | trans | -146.9 | 111.5 | 161.1 | -85.2 | -172.1 | 179.8 | 171 | 0 | 113.1 | ||||
| 12 | S | 32.9 | Very low | 44 | Very low | 109 Ų | 109 | 142.7 Ų | 142.7 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | trans | 32 | 107.3 | 148.7 | 59.2 | 0 | 0 | 0 | 0 | 119.9 | A14 | S12-A14 PolarHBondContact O-N 3.31Š| ||
| 13 | G | 36.8 | Very low | 44.5 | Very low | 81 Ų | 81 | 142.4 Ų | 142.4 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | trans | -65.5 | 117.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q15 | G13-Q15 PolarHBondContact O-N 3.48Š| ||
| 14 | A | 36.7 | Very low | 46 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 85% | 0.851 | 74% | 0.735 | S | S | * | * | trans | -74.1 | 104.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | S12 K16 | S12-A14 PolarHBondContact O-N 3.31Å; A14-K16 PolarHBondContact O-N 3.26Å; A14-K16 VanDerWaalsContact O-N 3.12Å | ||
| 15 | Q | 43.8 | Very low | 47.8 | Very low | 192 Ų | 192 | 135.4 Ų | 135.4 | 90% | 0.897 | 72% | 0.72 | S | S | * | * | trans | -64.9 | 107.6 | 171.2 | -148.9 | 173.3 | -34.9 | 0 | 0 | 108 | G13 K17 | G13-Q15 PolarHBondContact O-N 3.48Å; Q15-K17 VanDerWaalsContact C-N 3.33Å; Q15-K17 PolarHBondContact O-N 3.11Å | ||
| 16 | K | 48.8 | Very low | 49.9 | Very low | 203 Ų | 203 | 131.6 Ų | 131.6 | 88% | 0.883 | 71% | 0.706 | S | S | * | * | trans | -64 | 91.9 | 175.1 | -167.1 | 172.8 | -176.7 | 176.3 | 0 | 108.5 | A14 K18 | A14-K16 PolarHBondContact O-N 3.26Å; A14-K16 VanDerWaalsContact O-N 3.12Å; K16-K18 PolarHBondContact O-N 3.14Å | ||
| 17 | K | 43.8 | Very low | 51.8 | Low | 196 Ų | 196 | 127.7 Ų | 127.7 | 85% | 0.852 | 69% | 0.691 | S | S | * | * | trans | -63.3 | 103.5 | 174.6 | -161.8 | 175.9 | -177.5 | -179.3 | 0 | 107.5 | Q15 N19 | Q15-K17 VanDerWaalsContact C-N 3.33Å; Q15-K17 PolarHBondContact O-N 3.11Å; K17-N19 PolarHBondContact O-N 3.41Å | ||
| 18 | K | 52.7 | Low | 54 | Low | 153 Ų | 153 | 123.7 Ų | 123.7 | 67% | 0.665 | 68% | 0.679 | S | S | * | * | trans | -69.8 | 114 | -177.9 | -156.4 | 168.6 | 171.1 | -176.6 | 0 | 107.9 | K16 W20 | K16-K18 PolarHBondContact O-N 3.14Å; K18-W20 HydrophobicContact CD-CZ2 4.41Å; K18-W20 VanDerWaalsContact CE-NE1 3.33Å; K18-W20 VanDerWaalsContact CG-NE1 3.34Å; K18-W20 PolarHBondContact O-N 3.32Å | ||
| 19 | N | 48.7 | Very low | 56.3 | Low | 122 Ų | 122 | 120.9 Ų | 120.9 | 65% | 0.652 | 66% | 0.663 | S | S | * | * | trans | -79.1 | 44.3 | -164.6 | -142.1 | 21.3 | 0 | 0 | 0 | 113.4 | K17 G21 A22 D23 | K17-N19 PolarHBondContact O-N 3.41Å; N19-G21 VanDerWaalsContact C-N 3.3Å; N19-G21 PolarHBondContact O-N 3.14Å; N19-A22 PolarHBondContact O-N 3.49Å; N19-D23 PolarHBondContact O-N 3.43Å | ||
| 20 | W | 51.5 | Low | 59 | Low | 153 Ų | 153 | 122.9 Ų | 122.9 | 58% | 0.58 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -60 | -32.1 | -171.8 | -75.5 | 99.7 | 0 | 0 | 0 | 114.4 | K18 V24 | K18-W20 HydrophobicContact CD-CZ2 4.41Å; K18-W20 VanDerWaalsContact CE-NE1 3.33Å; K18-W20 VanDerWaalsContact CG-NE1 3.34Å; K18-W20 PolarHBondContact O-N 3.32Å; W20-V24 WeakPolarHBondContact O-CB 3.37Å; W20-V24 VanDerWaalsContact O-CG2 3.23Å; W20-V24 WeakPolarHBondContact O-CG2 3.39Å; W20-V24 PolarHBondContact O-N 2.95Å; W20-V24 VanDerWaalsContact O-N 3.08Å |
| 21 | G | 58.4 | Low | 61.1 | Low | 56 Ų | 56 | 120.3 Ų | 120.3 | 58% | 0.577 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70 | -38.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | N19 E25 | N19-G21 VanDerWaalsContact C-N 3.3Å; N19-G21 PolarHBondContact O-N 3.14Å; G21-E25 WeakPolarHBondContact O-CB 3.02Å; G21-E25 PolarHBondContact O-N 3.44Å |
| 22 | A | 62.8 | Low | 63.8 | Low | 50 Ų | 50 | 116.2 Ų | 116.2 | 41% | 0.413 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -73.7 | -29.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N19 A26 | N19-A22 PolarHBondContact O-N 3.49Å; A22-A26 VanDerWaalsContact O-CB 3.31Å; A22-A26 WeakPolarHBondContact O-CB 3.49Å; A22-A26 PolarHBondContact O-N 2.94Å |
| 23 | D | 66.2 | Low | 66.7 | Low | 90 Ų | 90 | 115.1 Ų | 115.1 | 48% | 0.481 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -72.6 | -45.8 | 177.3 | -158.4 | 31.5 | 0 | 0 | 0 | 111.4 | N19 E25 A26 E27 | N19-D23 PolarHBondContact O-N 3.43Å; D23-E25 VanDerWaalsContact C-N 3.32Å; D23-E25 PolarHBondContact O-N 3.31Å; D23-A26 PolarHBondContact O-N 2.92Å; D23-E27 WeakPolarHBondContact O-CG 3.44Å; D23-E27 PolarHBondContact O-N 2.96Å |
| 24 | V | 70.9 | Confident | 69.5 | Low | 87 Ų | 87 | 113.8 Ų | 113.8 | 53% | 0.527 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.5 | -35.6 | 175.8 | 172.3 | 0 | 0 | 0 | 0 | 112.1 | W20 S28 | W20-V24 WeakPolarHBondContact O-CB 3.37Å; W20-V24 VanDerWaalsContact O-CG2 3.23Å; W20-V24 WeakPolarHBondContact O-CG2 3.39Å; W20-V24 PolarHBondContact O-N 2.95Å; W20-V24 VanDerWaalsContact O-N 3.08Å; V24-S28 PolarHBondContact O-N 3.47Å; V24-S28 PolarHBondContact O-OG 3.34Å |
| 25 | E | 78.5 | Confident | 72.2 | Confident | 99 Ų | 99 | 113.7 Ų | 113.7 | 46% | 0.463 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -74.2 | -33.5 | 175.9 | -160.3 | 179.1 | 174.7 | 0 | 0 | 112.5 | G21 D23 S28 R29 | G21-E25 WeakPolarHBondContact O-CB 3.02Å; G21-E25 PolarHBondContact O-N 3.44Å; D23-E25 VanDerWaalsContact C-N 3.32Å; D23-E25 PolarHBondContact O-N 3.31Å; E25-S28 WeakPolarHBondContact CA-OG 3.43Å; E25-S28 PolarHBondContact O-OG 3.07Å; E25-R29 VanDerWaalsContact CD-NH2 3.34Å; E25-R29 WeakPolarHBondContact O-CB 3.34Å; E25-R29 WeakPolarHBondContact O-CD 3.36Å; E25-R29 WeakPolarHBondContact O-CG 3.43Å; E25-R29 PolarHBondContact O-N 2.88Å; E25-R29 VanDerWaalsContact O-N 3.11Å; E25-R29 IonicContact OE1-CZ 3.52Å; E25-R29 IonicContact OE1-NE 3.85Å; E25-R29 IonicContact OE1-NH2 2.79Å; E25-R29 PolarHBondContact OE1-NH2 3Å; E25-R29 IonicContact OE2-NH2 3.77Å |
| 26 | A | 80.1 | Confident | 74.7 | Confident | 52 Ų | 52 | 110 Ų | 110 | 43% | 0.43 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.9 | -40.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A22 D23 H30 | A22-A26 VanDerWaalsContact O-CB 3.31Å; A22-A26 WeakPolarHBondContact O-CB 3.49Å; A22-A26 PolarHBondContact O-N 2.94Å; D23-A26 PolarHBondContact O-N 2.92Å; A26-H30 VanDerWaalsContact O-CB 3.28Å; A26-H30 WeakPolarHBondContact O-CB 3.41Å; A26-H30 PolarHBondContact O-N 3.45Å |
| 27 | E | 82.1 | Confident | 76.9 | Confident | 84 Ų | 84 | 105.6 Ų | 105.6 | 39% | 0.393 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 174.1 | -76.7 | -174.1 | -162.5 | 0 | 0 | 112.8 | D23 H30 R31 | D23-E27 WeakPolarHBondContact O-CG 3.44Å; D23-E27 PolarHBondContact O-N 2.96Å; E27-H30 PolarHBondContact O-N 3.4Å; E27-R31 WeakPolarHBondContact O-CB 3.35Å; E27-R31 VanDerWaalsContact O-CG 3.22Å; E27-R31 WeakPolarHBondContact O-CG 3.42Å; E27-R31 PolarHBondContact O-N 2.93Å; E27-R31 IonicContact OE2-CZ 3.57Å; E27-R31 IonicContact OE2-NH2 2.69Å; E27-R31 PolarHBondContact OE2-NH2 3.26Å |
| 28 | S | 84.4 | Confident | 79.4 | Confident | 62 Ų | 62 | 100.5 Ų | 100.5 | 43% | 0.434 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.2 | -40.5 | 179.3 | 67.5 | 0 | 0 | 0 | 0 | 112 | V24 E25 R31 L32 | V24-S28 PolarHBondContact O-N 3.47Å; V24-S28 PolarHBondContact O-OG 3.34Å; E25-S28 WeakPolarHBondContact CA-OG 3.43Å; E25-S28 PolarHBondContact O-OG 3.07Å; S28-R31 PolarHBondContact O-N 3.26Å; S28-L32 PolarHBondContact O-N 3.01Å |
| 29 | R | 88 | Confident | 81.4 | Confident | 149 Ų | 149 | 98.1 Ų | 98.1 | 56% | 0.562 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.3 | -40.9 | 171.5 | -69.4 | 170.8 | -171.8 | -173.6 | 4.6 | 111.6 | E25 L32 V33 | E25-R29 VanDerWaalsContact CD-NH2 3.34Å; E25-R29 WeakPolarHBondContact O-CB 3.34Å; E25-R29 WeakPolarHBondContact O-CD 3.36Å; E25-R29 WeakPolarHBondContact O-CG 3.43Å; E25-R29 PolarHBondContact O-N 2.88Å; E25-R29 VanDerWaalsContact O-N 3.11Å; E25-R29 IonicContact OE1-CZ 3.52Å; E25-R29 IonicContact OE1-NE 3.85Å; E25-R29 IonicContact OE1-NH2 2.79Å; E25-R29 PolarHBondContact OE1-NH2 3Å; E25-R29 IonicContact OE2-NH2 3.77Å; R29-L32 PolarHBondContact O-N 2.79Å; R29-V33 WeakPolarHBondContact O-CG2 3.38Å; R29-V33 PolarHBondContact O-N 3.33Å |
| 30 | H | 89.4 | Confident | 83.7 | Confident | 126 Ų | 126 | 96.9 Ų | 96.9 | 58% | 0.583 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.4 | -45.5 | 175.1 | -175.7 | 65.7 | 0 | 0 | 0 | 111.7 | A26 E27 L32 V33 V34 | A26-H30 VanDerWaalsContact O-CB 3.28Å; A26-H30 WeakPolarHBondContact O-CB 3.41Å; A26-H30 PolarHBondContact O-N 3.45Å; E27-H30 PolarHBondContact O-N 3.4Å; H30-L32 VanDerWaalsContact C-N 3.34Å; H30-L32 PolarHBondContact O-N 2.86Å; H30-V33 PolarHBondContact O-N 2.93Å; H30-V34 VanDerWaalsContact O-CG2 3.29Å; H30-V34 WeakPolarHBondContact O-CG2 3.28Å; H30-V34 PolarHBondContact O-N 3.41Å |
| 31 | R | 90.8 | Very high | 85.8 | Confident | 158 Ų | 158 | 96 Ų | 96 | 60% | 0.596 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.6 | -42.1 | 175.5 | -70.5 | 170.5 | -159.8 | -165.5 | 8.4 | 111.8 | E27 S28 V34 L35 | E27-R31 WeakPolarHBondContact O-CB 3.35Å; E27-R31 VanDerWaalsContact O-CG 3.22Å; E27-R31 WeakPolarHBondContact O-CG 3.42Å; E27-R31 PolarHBondContact O-N 2.93Å; E27-R31 IonicContact OE2-CZ 3.57Å; E27-R31 IonicContact OE2-NH2 2.69Å; E27-R31 PolarHBondContact OE2-NH2 3.26Å; S28-R31 PolarHBondContact O-N 3.26Å; R31-V34 PolarHBondContact O-N 3.07Å; R31-L35 WeakPolarHBondContact O-CG 3.42Å; R31-L35 PolarHBondContact O-N 2.92Å |
| 32 | L | 92.9 | Very high | 87.6 | Confident | 116 Ų | 116 | 98 Ų | 98 | 61% | 0.607 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.2 | -45.9 | 176.3 | -175.9 | 67.1 | 0 | 0 | 0 | 112 | S28 R29 H30 V34 L35 E36 | S28-L32 PolarHBondContact O-N 3.01Å; R29-L32 PolarHBondContact O-N 2.79Å; H30-L32 VanDerWaalsContact C-N 3.34Å; H30-L32 PolarHBondContact O-N 2.86Å; L32-V34 VanDerWaalsContact C-N 3.29Å; L32-V34 PolarHBondContact O-N 3.32Å; L32-L35 PolarHBondContact O-N 3.17Å; L32-E36 PolarHBondContact O-N 3.4Å |
| 33 | V | 93.9 | Very high | 89.2 | Confident | 86 Ų | 86 | 100.8 Ų | 100.8 | 52% | 0.521 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.1 | -36.5 | 177 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | R29 H30 K37 | R29-V33 WeakPolarHBondContact O-CG2 3.38Å; R29-V33 PolarHBondContact O-N 3.33Å; H30-V33 PolarHBondContact O-N 2.93Å; V33-K37 VanDerWaalsContact O-CB 3.27Å; V33-K37 WeakPolarHBondContact O-CB 3.49Å; V33-K37 PolarHBondContact O-N 3.36Å |
| 34 | V | 95.1 | Very high | 90.7 | Very high | 53 Ų | 53 | 101.1 Ų | 101.1 | 32% | 0.321 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 174.8 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | H30 R31 L32 K37 E38 | H30-V34 VanDerWaalsContact O-CG2 3.29Å; H30-V34 WeakPolarHBondContact O-CG2 3.28Å; H30-V34 PolarHBondContact O-N 3.41Å; R31-V34 PolarHBondContact O-N 3.07Å; L32-V34 VanDerWaalsContact C-N 3.29Å; L32-V34 PolarHBondContact O-N 3.32Å; V34-K37 WeakPolarHBondContact O-CB 3.35Å; V34-K37 PolarHBondContact O-N 2.82Å; V34-E38 WeakPolarHBondContact O-CG 3.4Å; V34-E38 PolarHBondContact O-N 3.49Å |
| 35 | L | 93.8 | Very high | 91.9 | Very high | 100 Ų | 100 | 99 Ų | 99 | 52% | 0.524 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 177.2 | -69.8 | 171.3 | 0 | 0 | 0 | 112.4 | R31 L32 K37 E38 L39 | R31-L35 WeakPolarHBondContact O-CG 3.42Å; R31-L35 PolarHBondContact O-N 2.92Å; L32-L35 PolarHBondContact O-N 3.17Å; L35-K37 VanDerWaalsContact C-N 3.32Å; L35-K37 PolarHBondContact O-N 2.93Å; L35-E38 PolarHBondContact O-N 2.81Å; L35-L39 WeakPolarHBondContact O-CG 3.46Å; L35-L39 PolarHBondContact O-N 3.33Å |
| 36 | E | 95.2 | Very high | 92.8 | Very high | 115 Ų | 115 | 99 Ų | 99 | 54% | 0.537 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 176.4 | -174.4 | 175.6 | -165.5 | 0 | 0 | 111.6 | L32 E38 L39 L40 | L32-E36 PolarHBondContact O-N 3.4Å; E36-E38 VanDerWaalsContact C-N 3.31Å; E36-E38 PolarHBondContact O-N 2.68Å; E36-L39 PolarHBondContact O-N 3.46Å; E36-L40 HydrophobicContact CG-CD1 4.26Å; E36-L40 WeakPolarHBondContact O-CB 3.38Å; E36-L40 VanDerWaalsContact O-CG 3.28Å; E36-L40 WeakPolarHBondContact O-CG 3.39Å; E36-L40 PolarHBondContact O-N 3.35Å |
| 37 | K | 95.4 | Very high | 93.6 | Very high | 111 Ų | 111 | 105.5 Ų | 105.5 | 48% | 0.483 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -39 | 174.6 | -176.4 | -173.3 | -174 | -171.9 | 0 | 112 | V33 V34 L35 R41 | V33-K37 VanDerWaalsContact O-CB 3.27Å; V33-K37 WeakPolarHBondContact O-CB 3.49Å; V33-K37 PolarHBondContact O-N 3.36Å; V34-K37 WeakPolarHBondContact O-CB 3.35Å; V34-K37 PolarHBondContact O-N 2.82Å; L35-K37 VanDerWaalsContact C-N 3.32Å; L35-K37 PolarHBondContact O-N 2.93Å; K37-R41 VanDerWaalsContact CE-CZ 3.47Å; K37-R41 WeakPolarHBondContact O-CB 3.33Å; K37-R41 WeakPolarHBondContact O-CD 3.35Å; K37-R41 WeakPolarHBondContact O-CG 3.38Å; K37-R41 PolarHBondContact O-N 2.96Å |
| 38 | E | 95.7 | Very high | 94.3 | Very high | 88 Ų | 88 | 109.3 Ų | 109.3 | 41% | 0.411 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.2 | -48.1 | 175.2 | -73.3 | 170.7 | -180 | 0 | 0 | 111.5 | V34 L35 E36 L40 R41 D42 | V34-E38 WeakPolarHBondContact O-CG 3.4Å; V34-E38 PolarHBondContact O-N 3.49Å; L35-E38 PolarHBondContact O-N 2.81Å; E36-E38 VanDerWaalsContact C-N 3.31Å; E36-E38 PolarHBondContact O-N 2.68Å; E38-L40 VanDerWaalsContact C-N 3.33Å; E38-L40 PolarHBondContact O-N 3.36Å; E38-R41 WeakPolarHBondContact O-CA 3.36Å; E38-R41 WeakPolarHBondContact O-CB 3.32Å; E38-R41 PolarHBondContact O-N 3.09Å; E38-D42 PolarHBondContact O-N 2.87Å |
| 39 | L | 96.1 | Very high | 94.9 | Very high | 104 Ų | 104 | 109.1 Ų | 109.1 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.6 | -43.7 | 175.1 | -72.2 | 171.4 | 0 | 0 | 0 | 112.6 | L35 E36 R41 D42 H43 | L35-L39 WeakPolarHBondContact O-CG 3.46Å; L35-L39 PolarHBondContact O-N 3.33Å; E36-L39 PolarHBondContact O-N 3.46Å; L39-R41 VanDerWaalsContact C-N 3.32Å; L39-R41 PolarHBondContact O-N 2.88Å; L39-D42 PolarHBondContact O-N 2.85Å; L39-H43 WeakPolarHBondContact O-CB 3.34Å; L39-H43 PolarHBondContact O-N 3.43Å |
| 40 | L | 95.6 | Very high | 95.3 | Very high | 96 Ų | 96 | 107.8 Ų | 107.8 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.4 | -36 | 176.3 | -71.4 | 174.4 | 0 | 0 | 0 | 112.1 | E36 E38 L44 | E36-L40 HydrophobicContact CG-CD1 4.26Å; E36-L40 WeakPolarHBondContact O-CB 3.38Å; E36-L40 VanDerWaalsContact O-CG 3.28Å; E36-L40 WeakPolarHBondContact O-CG 3.39Å; E36-L40 PolarHBondContact O-N 3.35Å; E38-L40 VanDerWaalsContact C-N 3.33Å; E38-L40 PolarHBondContact O-N 3.36Å; L40-L44 WeakPolarHBondContact O-CB 3.46Å; L40-L44 VanDerWaalsContact O-CG 3.28Å; L40-L44 WeakPolarHBondContact O-CG 3.33Å; L40-L44 PolarHBondContact O-N 2.95Å |
| 41 | R | 96.4 | Very high | 95.7 | Very high | 135 Ų | 135 | 104.6 Ų | 104.6 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 174 | -77.1 | 163.6 | 168.5 | -177.5 | -11.6 | 111.3 | K37 E38 L39 L44 A45 | K37-R41 VanDerWaalsContact CE-CZ 3.47Å; K37-R41 WeakPolarHBondContact O-CB 3.33Å; K37-R41 WeakPolarHBondContact O-CD 3.35Å; K37-R41 WeakPolarHBondContact O-CG 3.38Å; K37-R41 PolarHBondContact O-N 2.96Å; E38-R41 WeakPolarHBondContact O-CA 3.36Å; E38-R41 WeakPolarHBondContact O-CB 3.32Å; E38-R41 PolarHBondContact O-N 3.09Å; L39-R41 VanDerWaalsContact C-N 3.32Å; L39-R41 PolarHBondContact O-N 2.88Å; R41-L44 PolarHBondContact O-N 3.41Å; R41-A45 WeakPolarHBondContact O-CB 3.37Å; R41-A45 PolarHBondContact O-N 3.36Å |
| 42 | D | 96.3 | Very high | 96.1 | Very high | 97 Ų | 97 | 104.5 Ų | 104.5 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.8 | -44 | 178 | -68.5 | -18.4 | 0 | 0 | 0 | 111.4 | E38 L39 L44 A45 L46 | E38-D42 PolarHBondContact O-N 2.87Å; L39-D42 PolarHBondContact O-N 2.85Å; D42-L44 VanDerWaalsContact C-N 3.33Å; D42-L44 PolarHBondContact O-N 3.41Å; D42-A45 WeakPolarHBondContact O-CB 3.5Å; D42-A45 PolarHBondContact O-N 2.93Å; D42-A45 VanDerWaalsContact O-N 3.14Å; D42-L46 WeakPolarHBondContact O-CG 3.38Å; D42-L46 PolarHBondContact O-N 2.85Å |
| 43 | H | 96.6 | Very high | 96.3 | Very high | 109 Ų | 109 | 107.9 Ų | 107.9 | 51% | 0.505 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.8 | -40.7 | 173.3 | -73.7 | 172.4 | 0 | 0 | 0 | 112.7 | L39 R47 | L39-H43 WeakPolarHBondContact O-CB 3.34Å; L39-H43 PolarHBondContact O-N 3.43Å; H43-R47 WeakPolarHBondContact O-CG 3.44Å; H43-R47 PolarHBondContact O-N 3.31Å |
| 44 | L | 96.9 | Very high | 96.5 | Very high | 97 Ų | 97 | 106.5 Ų | 106.5 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.7 | -37.4 | 174.6 | -76 | 171.5 | 0 | 0 | 0 | 112.1 | L40 R41 D42 R48 | L40-L44 WeakPolarHBondContact O-CB 3.46Å; L40-L44 VanDerWaalsContact O-CG 3.28Å; L40-L44 WeakPolarHBondContact O-CG 3.33Å; L40-L44 PolarHBondContact O-N 2.95Å; R41-L44 PolarHBondContact O-N 3.41Å; D42-L44 VanDerWaalsContact C-N 3.33Å; D42-L44 PolarHBondContact O-N 3.41Å; L44-R48 WeakPolarHBondContact O-CB 3.33Å; L44-R48 VanDerWaalsContact O-CG 3.23Å; L44-R48 WeakPolarHBondContact O-CG 3.36Å; L44-R48 PolarHBondContact O-N 2.97Å |
| 45 | A | 96.6 | Very high | 96.6 | Very high | 42 Ų | 42 | 110.6 Ų | 110.6 | 35% | 0.347 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.9 | -48.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | R41 D42 R47 R48 D49 | R41-A45 WeakPolarHBondContact O-CB 3.37Å; R41-A45 PolarHBondContact O-N 3.36Å; D42-A45 WeakPolarHBondContact O-CB 3.5Å; D42-A45 PolarHBondContact O-N 2.93Å; D42-A45 VanDerWaalsContact O-N 3.14Å; A45-R47 PolarHBondContact O-N 3.36Å; A45-R48 WeakPolarHBondContact O-CB 3.2Å; A45-R48 PolarHBondContact O-N 3.44Å; A45-R48 VanDerWaalsContact O-N 3.17Å; A45-D49 PolarHBondContact O-N 2.91Å |
| 46 | L | 96.8 | Very high | 96.8 | Very high | 100 Ų | 100 | 108.7 Ų | 108.7 | 52% | 0.524 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -56.6 | -50.1 | 175.8 | -73 | 169.7 | 0 | 0 | 0 | 111.8 | D42 R48 D49 E50 | D42-L46 WeakPolarHBondContact O-CG 3.38Å; D42-L46 PolarHBondContact O-N 2.85Å; L46-R48 VanDerWaalsContact C-N 3.29Å; L46-R48 PolarHBondContact O-N 2.93Å; L46-D49 PolarHBondContact O-N 3.37Å; L46-D49 VanDerWaalsContact O-N 3.13Å; L46-E50 WeakPolarHBondContact O-CG 3.34Å; L46-E50 PolarHBondContact O-N 3.49Å |
| 47 | R | 97.1 | Very high | 96.9 | Very high | 187 Ų | 187 | 106.2 Ų | 106.2 | 71% | 0.706 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.2 | -36.1 | 177.9 | -75.4 | -166.4 | -179.9 | -171 | 2.5 | 113.1 | H43 A45 A51 | H43-R47 WeakPolarHBondContact O-CG 3.44Å; H43-R47 PolarHBondContact O-N 3.31Å; A45-R47 PolarHBondContact O-N 3.36Å; R47-A51 WeakPolarHBondContact O-CB 3.41Å; R47-A51 PolarHBondContact O-N 3.35Å |
| 48 | R | 97.4 | Very high | 97.1 | Very high | 164 Ų | 164 | 106.7 Ų | 106.7 | 62% | 0.619 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.4 | -41 | 175.4 | -75.5 | 169.6 | 179.6 | 174.6 | 0.4 | 111.4 | L44 A45 L46 A51 R52 | L44-R48 WeakPolarHBondContact O-CB 3.33Å; L44-R48 VanDerWaalsContact O-CG 3.23Å; L44-R48 WeakPolarHBondContact O-CG 3.36Å; L44-R48 PolarHBondContact O-N 2.97Å; A45-R48 WeakPolarHBondContact O-CB 3.2Å; A45-R48 PolarHBondContact O-N 3.44Å; A45-R48 VanDerWaalsContact O-N 3.17Å; L46-R48 VanDerWaalsContact C-N 3.29Å; L46-R48 PolarHBondContact O-N 2.93Å; R48-A51 PolarHBondContact O-N 2.95Å; R48-R52 WeakPolarHBondContact O-CB 3.46Å; R48-R52 WeakPolarHBondContact O-CG 3.3Å; R48-R52 PolarHBondContact O-N 3.29Å |
| 49 | D | 97 | Very high | 97.2 | Very high | 58 Ų | 58 | 105.4 Ų | 105.4 | 31% | 0.31 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 176.1 | -79.2 | -30.1 | 0 | 0 | 0 | 112.4 | A45 L46 A51 R52 R53 | A45-D49 PolarHBondContact O-N 2.91Å; L46-D49 PolarHBondContact O-N 3.37Å; L46-D49 VanDerWaalsContact O-N 3.13Å; D49-A51 VanDerWaalsContact C-N 3.35Å; D49-A51 PolarHBondContact O-N 2.91Å; D49-R52 PolarHBondContact O-N 3.33Å; D49-R52 IonicContact OD1-CZ 3.93Å; D49-R52 VanDerWaalsContact OD1-CZ 3.31Å; D49-R52 IonicContact OD1-NE 3.99Å; D49-R52 PolarHBondContact OD1-NE 3.11Å; D49-R52 IonicContact OD1-NH2 2.91Å; D49-R52 PolarHBondContact OD1-NH2 2.99Å; D49-R53 WeakPolarHBondContact O-CB 3.46Å; D49-R53 VanDerWaalsContact O-CG 3.26Å; D49-R53 WeakPolarHBondContact O-CG 3.45Å; D49-R53 PolarHBondContact O-N 3.49Å |
| 50 | E | 97.3 | Very high | 97.3 | Very high | 121 Ų | 121 | 108.8 Ų | 108.8 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.3 | -46.9 | 172.8 | -71.9 | 170 | 175.8 | 0 | 0 | 111.2 | L46 R52 R53 A54 | L46-E50 WeakPolarHBondContact O-CG 3.34Å; L46-E50 PolarHBondContact O-N 3.49Å; E50-R52 PolarHBondContact O-N 3.48Å; E50-R53 PolarHBondContact O-N 2.83Å; E50-A54 VanDerWaalsContact O-CB 3.28Å; E50-A54 WeakPolarHBondContact O-CB 3.26Å; E50-A54 PolarHBondContact O-N 2.9Å |
| 51 | A | 97.6 | Very high | 97.4 | Very high | 60 Ų | 60 | 109.1 Ų | 109.1 | 50% | 0.496 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R47 R48 D49 K55 | R47-A51 WeakPolarHBondContact O-CB 3.41Å; R47-A51 PolarHBondContact O-N 3.35Å; R48-A51 PolarHBondContact O-N 2.95Å; D49-A51 VanDerWaalsContact C-N 3.35Å; D49-A51 PolarHBondContact O-N 2.91Å; A51-K55 WeakPolarHBondContact O-CB 3.34Å; A51-K55 PolarHBondContact O-N 3.18Å |
| 52 | R | 97.8 | Very high | 97.5 | Very high | 156 Ų | 156 | 107.5 Ų | 107.5 | 59% | 0.589 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.7 | -46.5 | 174.7 | -78.5 | -170 | -77.6 | -130.8 | 6.4 | 111.7 | R48 D49 E50 K55 A56 | R48-R52 WeakPolarHBondContact O-CB 3.46Å; R48-R52 WeakPolarHBondContact O-CG 3.3Å; R48-R52 PolarHBondContact O-N 3.29Å; D49-R52 PolarHBondContact O-N 3.33Å; D49-R52 IonicContact OD1-CZ 3.93Å; D49-R52 VanDerWaalsContact OD1-CZ 3.31Å; D49-R52 IonicContact OD1-NE 3.99Å; D49-R52 PolarHBondContact OD1-NE 3.11Å; D49-R52 IonicContact OD1-NH2 2.91Å; D49-R52 PolarHBondContact OD1-NH2 2.99Å; E50-R52 PolarHBondContact O-N 3.48Å; R52-K55 PolarHBondContact O-N 2.84Å; R52-A56 WeakPolarHBondContact O-CB 3.27Å; R52-A56 PolarHBondContact O-N 3.15Å |
| 53 | R | 97.9 | Very high | 97.6 | Very high | 186 Ų | 186 | 109.1 Ų | 109.1 | 70% | 0.702 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.4 | -43.9 | 178.1 | -71.8 | 173.6 | -174.6 | -172.3 | 3.3 | 111.4 | D49 E50 K55 A56 S57 | D49-R53 WeakPolarHBondContact O-CB 3.46Å; D49-R53 VanDerWaalsContact O-CG 3.26Å; D49-R53 WeakPolarHBondContact O-CG 3.45Å; D49-R53 PolarHBondContact O-N 3.49Å; E50-R53 PolarHBondContact O-N 2.83Å; R53-K55 VanDerWaalsContact C-N 3.33Å; R53-K55 PolarHBondContact O-N 3.31Å; R53-A56 PolarHBondContact O-N 3.34Å; R53-S57 PolarHBondContact O-N 3.46Å; R53-S57 PolarHBondContact O-OG 3.48Å |
| 54 | A | 97.4 | Very high | 97.7 | Very high | 57 Ų | 57 | 111.4 Ų | 111.4 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64 | -37.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | E50 S57 K58 | E50-A54 VanDerWaalsContact O-CB 3.28Å; E50-A54 WeakPolarHBondContact O-CB 3.26Å; E50-A54 PolarHBondContact O-N 2.9Å; A54-S57 WeakPolarHBondContact CA-OG 3.33Å; A54-S57 PolarHBondContact O-OG 3.06Å; A54-K58 VanDerWaalsContact O-CB 3.29Å; A54-K58 WeakPolarHBondContact O-CB 3.4Å; A54-K58 PolarHBondContact O-N 3.15Å |
| 55 | K | 97.9 | Very high | 97.7 | Very high | 139 Ų | 139 | 111.6 Ų | 111.6 | 60% | 0.604 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.6 | -47 | 174.2 | -172.4 | 175.5 | 179.9 | -177.9 | 0 | 111.4 | A51 R52 R53 S57 K58 D59 | A51-K55 WeakPolarHBondContact O-CB 3.34Å; A51-K55 PolarHBondContact O-N 3.18Å; R52-K55 PolarHBondContact O-N 2.84Å; R53-K55 VanDerWaalsContact C-N 3.33Å; R53-K55 PolarHBondContact O-N 3.31Å; K55-S57 VanDerWaalsContact C-N 3.33Å; K55-S57 PolarHBondContact O-N 3.29Å; K55-K58 WeakPolarHBondContact O-CB 3.01Å; K55-K58 PolarHBondContact O-N 2.72Å; K55-D59 WeakPolarHBondContact O-CB 3.48Å; K55-D59 VanDerWaalsContact O-CG 3.28Å; K55-D59 PolarHBondContact O-N 3.42Å |
| 56 | A | 98.1 | Very high | 97.8 | Very high | 61 Ų | 61 | 115.6 Ų | 115.6 | 50% | 0.504 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R52 R53 D59 R60 | R52-A56 WeakPolarHBondContact O-CB 3.27Å; R52-A56 PolarHBondContact O-N 3.15Å; R53-A56 PolarHBondContact O-N 3.34Å; A56-D59 PolarHBondContact O-N 2.98Å; A56-R60 WeakPolarHBondContact O-CB 3.32Å; A56-R60 PolarHBondContact O-N 3.04Å |
| 57 | S | 97.5 | Very high | 97.9 | Very high | 63 Ų | 63 | 119.1 Ų | 119.1 | 44% | 0.441 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.4 | -41.9 | 176.1 | 67.8 | 0 | 0 | 0 | 0 | 112 | R53 A54 K55 D59 R60 L61 | R53-S57 PolarHBondContact O-N 3.46Å; R53-S57 PolarHBondContact O-OG 3.48Å; A54-S57 WeakPolarHBondContact CA-OG 3.33Å; A54-S57 PolarHBondContact O-OG 3.06Å; K55-S57 VanDerWaalsContact C-N 3.33Å; K55-S57 PolarHBondContact O-N 3.29Å; S57-D59 PolarHBondContact O-N 3.25Å; S57-R60 PolarHBondContact O-N 2.98Å; S57-L61 WeakPolarHBondContact O-CG 3.49Å; S57-L61 PolarHBondContact O-N 3.04Å |
| 58 | K | 98.2 | Very high | 98 | Very high | 121 Ų | 121 | 114.2 Ų | 114.2 | 53% | 0.526 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.5 | -46.8 | 173.1 | 177.4 | -179.7 | 178.2 | 175.4 | 0 | 111.7 | A54 K55 R60 L61 K62 | A54-K58 VanDerWaalsContact O-CB 3.29Å; A54-K58 WeakPolarHBondContact O-CB 3.4Å; A54-K58 PolarHBondContact O-N 3.15Å; K55-K58 WeakPolarHBondContact O-CB 3.01Å; K55-K58 PolarHBondContact O-N 2.72Å; K58-R60 VanDerWaalsContact C-N 3.35Å; K58-L61 PolarHBondContact O-N 3.22Å; K58-K62 WeakPolarHBondContact O-CG 3.47Å; K58-K62 PolarHBondContact O-N 2.88Å |
| 59 | D | 98.3 | Very high | 98 | Very high | 60 Ų | 60 | 111.5 Ų | 111.5 | 32% | 0.321 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.7 | -38.7 | -179.1 | -67.5 | -23 | 0 | 0 | 0 | 111.1 | K55 A56 S57 L61 K62 Q63 | K55-D59 WeakPolarHBondContact O-CB 3.48Å; K55-D59 VanDerWaalsContact O-CG 3.28Å; K55-D59 PolarHBondContact O-N 3.42Å; A56-D59 PolarHBondContact O-N 2.98Å; S57-D59 PolarHBondContact O-N 3.25Å; D59-L61 PolarHBondContact O-N 3.35Å; D59-K62 PolarHBondContact O-N 3.48Å; D59-Q63 WeakPolarHBondContact O-CG 3.31Å; D59-Q63 PolarHBondContact O-N 2.86Å |
| 60 | R | 98.3 | Very high | 98.1 | Very high | 175 Ų | 175 | 111.8 Ų | 111.8 | 66% | 0.66 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.1 | -41.4 | 171.7 | -172.5 | 179.6 | -177.5 | -170 | 1.2 | 112.3 | A56 S57 K58 R64 | A56-R60 WeakPolarHBondContact O-CB 3.32Å; A56-R60 PolarHBondContact O-N 3.04Å; S57-R60 PolarHBondContact O-N 2.98Å; K58-R60 VanDerWaalsContact C-N 3.35Å; R60-R64 WeakPolarHBondContact O-CG 3.25Å; R60-R64 PolarHBondContact O-N 3Å; R60-R64 VanDerWaalsContact O-N 3.12Å |
| 61 | L | 98 | Very high | 98.1 | Very high | 104 Ų | 104 | 111.7 Ų | 111.7 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.7 | -40.9 | 176.8 | -73.1 | 174 | 0 | 0 | 0 | 111.8 | S57 K58 D59 Q63 R64 L65 | S57-L61 WeakPolarHBondContact O-CG 3.49Å; S57-L61 PolarHBondContact O-N 3.04Å; K58-L61 PolarHBondContact O-N 3.22Å; D59-L61 PolarHBondContact O-N 3.35Å; L61-Q63 PolarHBondContact O-N 3.5Å; L61-R64 PolarHBondContact O-N 3.31Å; L61-L65 WeakPolarHBondContact O-CB 3.45Å; L61-L65 PolarHBondContact O-N 2.85Å |
| 62 | K | 98.4 | Very high | 98.2 | Very high | 101 Ų | 101 | 113 Ų | 113 | 44% | 0.439 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.6 | -45.6 | 174.7 | -74.6 | 174.9 | 173.1 | -178.4 | 0 | 112.2 | K58 D59 R64 L65 Q66 | K58-K62 WeakPolarHBondContact O-CG 3.47Å; K58-K62 PolarHBondContact O-N 2.88Å; D59-K62 PolarHBondContact O-N 3.48Å; K62-R64 VanDerWaalsContact C-N 3.3Å; K62-R64 PolarHBondContact O-N 3.26Å; K62-L65 PolarHBondContact O-N 2.84Å; K62-Q66 WeakPolarHBondContact O-CG 3.46Å; K62-Q66 PolarHBondContact O-N 2.94Å |
| 63 | Q | 98.3 | Very high | 98.2 | Very high | 130 Ų | 130 | 110 Ų | 110 | 61% | 0.607 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.8 | -40.9 | 176.7 | -72.2 | 173 | -2.3 | 0 | 0 | 111.8 | D59 L61 R67 | D59-Q63 WeakPolarHBondContact O-CG 3.31Å; D59-Q63 PolarHBondContact O-N 2.86Å; L61-Q63 PolarHBondContact O-N 3.5Å; Q63-R67 PolarHBondContact O-N 3.02Å; Q63-R67 VanDerWaalsContact O-N 3.08Å |
| 64 | R | 98.4 | Very high | 98.2 | Very high | 158 Ų | 158 | 102.2 Ų | 102.2 | 60% | 0.596 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.3 | -42.5 | 175.7 | -72.5 | 178 | 68.3 | -167 | 1.4 | 112 | R60 L61 K62 R67 V68 | R60-R64 WeakPolarHBondContact O-CG 3.25Å; R60-R64 PolarHBondContact O-N 3Å; R60-R64 VanDerWaalsContact O-N 3.12Å; L61-R64 PolarHBondContact O-N 3.31Å; K62-R64 VanDerWaalsContact C-N 3.3Å; K62-R64 PolarHBondContact O-N 3.26Å; R64-R67 PolarHBondContact O-N 2.89Å; R64-V68 WeakPolarHBondContact O-CG2 3.35Å; R64-V68 PolarHBondContact O-N 3.5Å |
| 65 | L | 98.3 | Very high | 98.3 | Very high | 101 Ų | 101 | 102.2 Ų | 102.2 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -49.3 | 177.8 | -176.3 | 66.3 | 0 | 0 | 0 | 110.8 | L61 K62 R67 V68 E69 | L61-L65 WeakPolarHBondContact O-CB 3.45Å; L61-L65 PolarHBondContact O-N 2.85Å; K62-L65 PolarHBondContact O-N 2.84Å; L65-R67 VanDerWaalsContact C-N 3.29Å; L65-R67 PolarHBondContact O-N 3.22Å; L65-V68 PolarHBondContact O-N 3.43Å; L65-V68 VanDerWaalsContact O-N 3.16Å; L65-E69 HydrophobicContact CG-CG 4.43Å; L65-E69 WeakPolarHBondContact O-CB 3.49Å; L65-E69 WeakPolarHBondContact O-CG 3.4Å; L65-E69 PolarHBondContact O-N 3.21Å |
| 66 | Q | 98.6 | Very high | 98.3 | Very high | 125 Ų | 125 | 102 Ų | 102 | 58% | 0.584 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.5 | -39.9 | 177.4 | -73.3 | 173.9 | -20.5 | 0 | 0 | 112.6 | K62 A70 | K62-Q66 WeakPolarHBondContact O-CG 3.46Å; K62-Q66 PolarHBondContact O-N 2.94Å; Q66-A70 WeakPolarHBondContact O-CB 3.42Å; Q66-A70 PolarHBondContact O-N 2.88Å |
| 67 | R | 98.6 | Very high | 98.3 | Very high | 174 Ų | 174 | 102.1 Ų | 102.1 | 66% | 0.657 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62 | -49.5 | 175.6 | -177.3 | -174.3 | -66 | -166.1 | -4.5 | 111.4 | Q63 R64 L65 E69 A70 E71 | Q63-R67 PolarHBondContact O-N 3.02Å; Q63-R67 VanDerWaalsContact O-N 3.08Å; R64-R67 PolarHBondContact O-N 2.89Å; L65-R67 VanDerWaalsContact C-N 3.29Å; L65-R67 PolarHBondContact O-N 3.22Å; R67-E69 VanDerWaalsContact C-N 3.32Å; R67-E69 PolarHBondContact O-N 2.89Å; R67-A70 PolarHBondContact O-N 3.46Å; R67-E71 WeakPolarHBondContact CD-OE1 3.41Å; R67-E71 HydrophobicContact CG-CG 4.5Å; R67-E71 VanDerWaalsContact CG-OE1 3.28Å; R67-E71 WeakPolarHBondContact CG-OE1 3.42Å; R67-E71 WeakPolarHBondContact O-CG 3.28Å; R67-E71 PolarHBondContact O-N 2.82Å |
| 68 | V | 98.3 | Very high | 98.4 | Very high | 85 Ų | 85 | 105.1 Ų | 105.1 | 52% | 0.515 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.3 | -37.7 | -179.3 | 173 | 0 | 0 | 0 | 0 | 111.3 | R64 L65 A70 E71 L72 | R64-V68 WeakPolarHBondContact O-CG2 3.35Å; R64-V68 PolarHBondContact O-N 3.5Å; L65-V68 PolarHBondContact O-N 3.43Å; L65-V68 VanDerWaalsContact O-N 3.16Å; V68-A70 VanDerWaalsContact C-N 3.35Å; V68-E71 PolarHBondContact O-N 3.37Å; V68-L72 VanDerWaalsContact O-CB 3.29Å; V68-L72 WeakPolarHBondContact O-CB 3.36Å; V68-L72 PolarHBondContact O-N 3.3Å |
| 69 | E | 98.5 | Very high | 98.4 | Very high | 106 Ų | 106 | 101.1 Ų | 101.1 | 50% | 0.495 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 173.9 | -73.9 | 170.1 | 168.2 | 0 | 0 | 111.5 | L65 R67 L72 E73 | L65-E69 HydrophobicContact CG-CG 4.43Å; L65-E69 WeakPolarHBondContact O-CB 3.49Å; L65-E69 WeakPolarHBondContact O-CG 3.4Å; L65-E69 PolarHBondContact O-N 3.21Å; R67-E69 VanDerWaalsContact C-N 3.32Å; R67-E69 PolarHBondContact O-N 2.89Å; E69-L72 PolarHBondContact O-N 3.18Å; E69-E73 PolarHBondContact O-N 2.98Å |
| 70 | A | 98.4 | Very high | 98.4 | Very high | 65 Ų | 65 | 104.9 Ų | 104.9 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q66 R67 V68 L72 E73 G74 | Q66-A70 WeakPolarHBondContact O-CB 3.42Å; Q66-A70 PolarHBondContact O-N 2.88Å; R67-A70 PolarHBondContact O-N 3.46Å; V68-A70 VanDerWaalsContact C-N 3.35Å; A70-L72 VanDerWaalsContact C-N 3.35Å; A70-E73 PolarHBondContact O-N 3.49Å; A70-G74 PolarHBondContact O-N 3.41Å |
| 71 | E | 98.4 | Very high | 98.4 | Very high | 119 Ų | 119 | 99.5 Ų | 99.5 | 56% | 0.556 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.6 | -42.7 | 175.3 | -72.9 | 169.1 | -170.4 | 0 | 0 | 111.5 | R67 V68 G74 A75 | R67-E71 WeakPolarHBondContact CD-OE1 3.41Å; R67-E71 HydrophobicContact CG-CG 4.5Å; R67-E71 VanDerWaalsContact CG-OE1 3.28Å; R67-E71 WeakPolarHBondContact CG-OE1 3.42Å; R67-E71 WeakPolarHBondContact O-CG 3.28Å; R67-E71 PolarHBondContact O-N 2.82Å; V68-E71 PolarHBondContact O-N 3.37Å; E71-G74 PolarHBondContact O-N 3.43Å; E71-A75 PolarHBondContact O-N 3.42Å |
| 72 | L | 98.4 | Very high | 98.4 | Very high | 86 Ų | 86 | 99.7 Ų | 99.7 | 45% | 0.45 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 177.5 | 176.2 | 61.7 | 0 | 0 | 0 | 111.9 | V68 E69 A70 G74 A75 R76 | V68-L72 VanDerWaalsContact O-CB 3.29Å; V68-L72 WeakPolarHBondContact O-CB 3.36Å; V68-L72 PolarHBondContact O-N 3.3Å; E69-L72 PolarHBondContact O-N 3.18Å; A70-L72 VanDerWaalsContact C-N 3.35Å; L72-G74 VanDerWaalsContact C-N 3.33Å; L72-A75 PolarHBondContact O-N 3.34Å; L72-R76 HydrophobicContact CD1-CG 4.44Å; L72-R76 WeakPolarHBondContact O-CB 3.48Å; L72-R76 VanDerWaalsContact O-CG 3.27Å; L72-R76 WeakPolarHBondContact O-CG 3.46Å; L72-R76 PolarHBondContact O-N 2.96Å |
| 73 | E | 98.4 | Very high | 98.4 | Very high | 94 Ų | 94 | 103 Ų | 103 | 44% | 0.439 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.8 | -36.9 | 177.2 | -164.2 | 57.3 | -147.7 | 0 | 0 | 111.4 | E69 A70 R76 S77 | E69-E73 PolarHBondContact O-N 2.98Å; A70-E73 PolarHBondContact O-N 3.49Å; E73-R76 PolarHBondContact O-N 3.48Å; E73-R76 IonicContact OE2-NH1 3.21Å; E73-S77 WeakPolarHBondContact O-CB 3.47Å; E73-S77 PolarHBondContact O-N 2.96Å; E73-S77 PolarHBondContact O-OG 3.25Å |
| 74 | G | 98.5 | Very high | 98.5 | Very high | 23 Ų | 23 | 98.9 Ų | 98.9 | 24% | 0.237 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -55.1 | -56.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111.5 | A70 E71 L72 R76 S77 E78 | A70-G74 PolarHBondContact O-N 3.41Å; E71-G74 PolarHBondContact O-N 3.43Å; L72-G74 VanDerWaalsContact C-N 3.33Å; G74-R76 VanDerWaalsContact C-N 3.29Å; G74-R76 PolarHBondContact O-N 3.1Å; G74-S77 PolarHBondContact O-N 3.37Å; G74-S77 PolarHBondContact O-OG 2.91Å; G74-E78 WeakPolarHBondContact O-CG 3.5Å; G74-E78 PolarHBondContact O-N 2.95Å |
| 75 | A | 98.3 | Very high | 98.5 | Very high | 57 Ų | 57 | 95.3 Ų | 95.3 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59 | -37.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | E71 L72 G79 | E71-A75 PolarHBondContact O-N 3.42Å; L72-A75 PolarHBondContact O-N 3.34Å; A75-G79 PolarHBondContact O-N 3Å |
| 76 | R | 98.6 | Very high | 98.5 | Very high | 134 Ų | 134 | 95.7 Ų | 95.7 | 51% | 0.506 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 174.3 | -75.4 | 170.5 | 174.5 | -179.1 | -1 | 112.1 | L72 E73 G74 G79 K80 | L72-R76 HydrophobicContact CD1-CG 4.44Å; L72-R76 WeakPolarHBondContact O-CB 3.48Å; L72-R76 VanDerWaalsContact O-CG 3.27Å; L72-R76 WeakPolarHBondContact O-CG 3.46Å; L72-R76 PolarHBondContact O-N 2.96Å; E73-R76 PolarHBondContact O-N 3.48Å; E73-R76 IonicContact OE2-NH1 3.21Å; G74-R76 VanDerWaalsContact C-N 3.29Å; G74-R76 PolarHBondContact O-N 3.1Å; R76-G79 PolarHBondContact O-N 2.98Å; R76-K80 VanDerWaalsContact O-CG 3.29Å; R76-K80 WeakPolarHBondContact O-CG 3.45Å; R76-K80 PolarHBondContact O-N 2.83Å |
| 77 | S | 98.3 | Very high | 98.5 | Very high | 63 Ų | 63 | 91.5 Ų | 91.5 | 44% | 0.441 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.9 | -40.9 | 178.6 | 75.2 | 0 | 0 | 0 | 0 | 111.6 | E73 G74 K80 A81 | E73-S77 WeakPolarHBondContact O-CB 3.47Å; E73-S77 PolarHBondContact O-N 2.96Å; E73-S77 PolarHBondContact O-OG 3.25Å; G74-S77 PolarHBondContact O-N 3.37Å; G74-S77 PolarHBondContact O-OG 2.91Å; S77-K80 PolarHBondContact O-N 3.35Å; S77-A81 WeakPolarHBondContact O-CB 3.46Å; S77-A81 PolarHBondContact O-N 3.3Å |
| 78 | E | 98.5 | Very high | 98.5 | Very high | 126 Ų | 126 | 91.3 Ų | 91.3 | 59% | 0.589 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.6 | -47.2 | 174 | -71 | 171.9 | -172.9 | 0 | 0 | 111.1 | G74 K80 A81 I82 | G74-E78 WeakPolarHBondContact O-CG 3.5Å; G74-E78 PolarHBondContact O-N 2.95Å; E78-K80 VanDerWaalsContact C-N 3.31Å; E78-K80 PolarHBondContact O-N 2.87Å; E78-A81 WeakPolarHBondContact O-CB 3.29Å; E78-A81 PolarHBondContact O-N 3.24Å; E78-A81 VanDerWaalsContact O-N 3.11Å; E78-I82 VanDerWaalsContact O-CG1 3.3Å; E78-I82 WeakPolarHBondContact O-CG1 3.45Å; E78-I82 PolarHBondContact O-N 3.47Å |
| 79 | G | 98.4 | Very high | 98.5 | Very high | 37 Ų | 37 | 92.7 Ų | 92.7 | 38% | 0.381 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.2 | -41.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A75 R76 Y83 | A75-G79 PolarHBondContact O-N 3Å; R76-G79 PolarHBondContact O-N 2.98Å; G79-Y83 WeakPolarHBondContact O-CB 3.36Å; G79-Y83 PolarHBondContact O-N 3.48Å |
| 80 | K | 98.6 | Very high | 98.5 | Very high | 140 Ų | 140 | 91 Ų | 91 | 61% | 0.609 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.7 | -41.9 | 174.1 | -72 | 170.3 | -175 | 172.4 | 0 | 112 | R76 S77 E78 Y83 A84 | R76-K80 VanDerWaalsContact O-CG 3.29Å; R76-K80 WeakPolarHBondContact O-CG 3.45Å; R76-K80 PolarHBondContact O-N 2.83Å; S77-K80 PolarHBondContact O-N 3.35Å; E78-K80 VanDerWaalsContact C-N 3.31Å; E78-K80 PolarHBondContact O-N 2.87Å; K80-Y83 PolarHBondContact O-N 3.45Å; K80-A84 WeakPolarHBondContact O-CB 3.46Å; K80-A84 PolarHBondContact O-N 2.88Å |
| 81 | A | 98.6 | Very high | 98.5 | Very high | 61 Ų | 61 | 93.5 Ų | 93.5 | 50% | 0.504 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S77 E78 A84 E85 | S77-A81 WeakPolarHBondContact O-CB 3.46Å; S77-A81 PolarHBondContact O-N 3.3Å; E78-A81 WeakPolarHBondContact O-CB 3.29Å; E78-A81 PolarHBondContact O-N 3.24Å; E78-A81 VanDerWaalsContact O-N 3.11Å; A81-A84 PolarHBondContact O-N 2.86Å; A81-E85 WeakPolarHBondContact O-CB 3.24Å; A81-E85 PolarHBondContact O-N 2.92Å |
| 82 | I | 98.4 | Very high | 98.5 | Very high | 108 Ų | 108 | 90.1 Ų | 90.1 | 55% | 0.554 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.8 | -47.1 | 176.1 | -67 | 165.4 | 0 | 0 | 0 | 110.3 | E78 A84 E85 M86 | E78-I82 VanDerWaalsContact O-CG1 3.3Å; E78-I82 WeakPolarHBondContact O-CG1 3.45Å; E78-I82 PolarHBondContact O-N 3.47Å; I82-A84 VanDerWaalsContact C-N 3.34Å; I82-A84 PolarHBondContact O-N 3.19Å; I82-E85 PolarHBondContact O-N 3.44Å; I82-M86 WeakPolarHBondContact O-CB 3.32Å; I82-M86 PolarHBondContact O-N 3.05Å |
| 83 | Y | 98.5 | Very high | 98.5 | Very high | 172 Ų | 172 | 91 Ų | 91 | 68% | 0.675 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63 | -41.1 | 179.1 | -173.1 | -91.5 | 0 | 0 | 0 | 112.1 | G79 K80 S87 | G79-Y83 WeakPolarHBondContact O-CB 3.36Å; G79-Y83 PolarHBondContact O-N 3.48Å; K80-Y83 PolarHBondContact O-N 3.45Å; Y83-S87 WeakPolarHBondContact CE1-OG 3.39Å; Y83-S87 WeakPolarHBondContact O-CB 3.44Å; Y83-S87 PolarHBondContact O-N 3.39Å; Y83-S87 PolarHBondContact O-OG 2.71Å |
| 84 | A | 98.6 | Very high | 98.5 | Very high | 43 Ų | 43 | 91.8 Ų | 91.8 | 36% | 0.355 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K80 A81 I82 S87 R88 | K80-A84 WeakPolarHBondContact O-CB 3.46Å; K80-A84 PolarHBondContact O-N 2.88Å; A81-A84 PolarHBondContact O-N 2.86Å; I82-A84 VanDerWaalsContact C-N 3.34Å; I82-A84 PolarHBondContact O-N 3.19Å; A84-S87 PolarHBondContact O-N 2.95Å; A84-R88 WeakPolarHBondContact O-CG 3.34Å; A84-R88 PolarHBondContact O-N 3.31Å |
| 85 | E | 98.6 | Very high | 98.5 | Very high | 83 Ų | 83 | 96.7 Ų | 96.7 | 39% | 0.388 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.7 | -45.1 | 177.9 | -175.1 | 54.5 | -150.3 | 0 | 0 | 111.9 | A81 I82 S87 R88 Q89 | A81-E85 WeakPolarHBondContact O-CB 3.24Å; A81-E85 PolarHBondContact O-N 2.92Å; I82-E85 PolarHBondContact O-N 3.44Å; E85-S87 VanDerWaalsContact C-N 3.29Å; E85-S87 PolarHBondContact O-N 3.32Å; E85-R88 WeakPolarHBondContact O-CB 3.48Å; E85-R88 PolarHBondContact O-N 3.47Å; E85-R88 IonicContact OE2-NH1 3.6Å; E85-Q89 WeakPolarHBondContact O-CG 3.34Å; E85-Q89 PolarHBondContact O-N 3.17Å; E85-Q89 PolarHBondContact OE1-NE2 3.49Å |
| 86 | M | 98.4 | Very high | 98.5 | Very high | 108 Ų | 108 | 98 Ų | 98 | 53% | 0.532 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -56 | -44.7 | 171.8 | -85.5 | -161 | 58.3 | 0 | 0 | 112 | I82 R88 Q89 C90 | I82-M86 WeakPolarHBondContact O-CB 3.32Å; I82-M86 PolarHBondContact O-N 3.05Å; M86-R88 VanDerWaalsContact C-N 3.32Å; M86-R88 PolarHBondContact O-N 3.42Å; M86-Q89 PolarHBondContact O-N 2.95Å; M86-C90 WeakPolarHBondContact O-CB 3.36Å; M86-C90 PolarHBondContact O-N 2.99Å; M86-C90 PolarHBondContact O-SG 2.99Å; M86-C90 VanDerWaalsContact O-SG 3.32Å |
| 87 | S | 98.4 | Very high | 98.5 | Very high | 38 Ų | 38 | 96.8 Ų | 96.8 | 27% | 0.266 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 178.3 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | Y83 A84 E85 C90 H91 | Y83-S87 WeakPolarHBondContact CE1-OG 3.39Å; Y83-S87 WeakPolarHBondContact O-CB 3.44Å; Y83-S87 PolarHBondContact O-N 3.39Å; Y83-S87 PolarHBondContact O-OG 2.71Å; A84-S87 PolarHBondContact O-N 2.95Å; E85-S87 VanDerWaalsContact C-N 3.29Å; E85-S87 PolarHBondContact O-N 3.32Å; S87-C90 PolarHBondContact O-N 3.39Å; S87-H91 PolarHBondContact O-N 2.95Å; S87-H91 PolarHBondContact O-ND1 3.47Å |
| 88 | R | 98.7 | Very high | 98.5 | Very high | 170 Ų | 170 | 98.2 Ų | 98.2 | 64% | 0.642 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60 | -46.6 | 176.2 | -73.2 | 172.7 | 179.6 | 174.5 | -1.4 | 111.9 | A84 E85 M86 C90 H91 A92 | A84-R88 WeakPolarHBondContact O-CG 3.34Å; A84-R88 PolarHBondContact O-N 3.31Å; E85-R88 WeakPolarHBondContact O-CB 3.48Å; E85-R88 PolarHBondContact O-N 3.47Å; E85-R88 IonicContact OE2-NH1 3.6Å; M86-R88 VanDerWaalsContact C-N 3.32Å; M86-R88 PolarHBondContact O-N 3.42Å; R88-C90 PolarHBondContact O-N 2.94Å; R88-H91 PolarHBondContact O-N 2.92Å; R88-A92 WeakPolarHBondContact O-CB 3.31Å; R88-A92 PolarHBondContact O-N 3.18Å |
| 89 | Q | 98.6 | Very high | 98.5 | Very high | 113 Ų | 113 | 94.5 Ų | 94.5 | 53% | 0.528 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 179.7 | -70.6 | 176.3 | 7.3 | 0 | 0 | 112.1 | E85 M86 H91 A92 L93 | E85-Q89 WeakPolarHBondContact O-CG 3.34Å; E85-Q89 PolarHBondContact O-N 3.17Å; E85-Q89 PolarHBondContact OE1-NE2 3.49Å; M86-Q89 PolarHBondContact O-N 2.95Å; Q89-H91 VanDerWaalsContact C-N 3.33Å; Q89-H91 PolarHBondContact O-N 3.36Å; Q89-A92 PolarHBondContact O-N 3.3Å; Q89-L93 WeakPolarHBondContact O-CB 3.28Å; Q89-L93 PolarHBondContact O-N 2.89Å |
| 90 | C | 98.3 | Very high | 98.6 | Very high | 72 Ų | 72 | 99.7 Ų | 99.7 | 49% | 0.486 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 173.8 | -71.7 | 0 | 0 | 0 | 0 | 111.8 | M86 S87 R88 Q94 | M86-C90 WeakPolarHBondContact O-CB 3.36Å; M86-C90 PolarHBondContact O-N 2.99Å; M86-C90 PolarHBondContact O-SG 2.99Å; M86-C90 VanDerWaalsContact O-SG 3.32Å; S87-C90 PolarHBondContact O-N 3.39Å; R88-C90 PolarHBondContact O-N 2.94Å; C90-Q94 VanDerWaalsContact O-CB 3.3Å; C90-Q94 WeakPolarHBondContact O-CB 3.39Å; C90-Q94 PolarHBondContact O-N 3.14Å |
| 91 | H | 98.7 | Very high | 98.6 | Very high | 117 Ų | 117 | 95.7 Ų | 95.7 | 54% | 0.542 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.5 | -46.3 | 177.9 | -73.8 | 57.8 | 0 | 0 | 0 | 111.3 | S87 R88 Q89 L93 Q94 E95 | S87-H91 PolarHBondContact O-N 2.95Å; S87-H91 PolarHBondContact O-ND1 3.47Å; R88-H91 PolarHBondContact O-N 2.92Å; Q89-H91 VanDerWaalsContact C-N 3.33Å; Q89-H91 PolarHBondContact O-N 3.36Å; H91-L93 PolarHBondContact O-N 3.14Å; H91-Q94 WeakPolarHBondContact O-CB 3.2Å; H91-Q94 PolarHBondContact O-N 3.32Å; H91-Q94 VanDerWaalsContact O-N 3.13Å; H91-E95 WeakPolarHBondContact O-CG 3.45Å; H91-E95 PolarHBondContact O-N 3.37Å |
| 92 | A | 98.6 | Very high | 98.6 | Very high | 48 Ų | 48 | 98.6 Ų | 98.6 | 40% | 0.397 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.7 | -46.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R88 Q89 Q94 E95 D96 | R88-A92 WeakPolarHBondContact O-CB 3.31Å; R88-A92 PolarHBondContact O-N 3.18Å; Q89-A92 PolarHBondContact O-N 3.3Å; A92-Q94 VanDerWaalsContact C-N 3.3Å; A92-Q94 PolarHBondContact O-N 3.04Å; A92-E95 PolarHBondContact O-N 3.44Å; A92-D96 WeakPolarHBondContact O-CB 3.49Å; A92-D96 PolarHBondContact O-N 3.36Å |
| 93 | L | 98.5 | Very high | 98.6 | Very high | 104 Ų | 104 | 98.6 Ų | 98.6 | 55% | 0.545 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.9 | -38.4 | 176.5 | -177.1 | 64.1 | 0 | 0 | 0 | 111.9 | Q89 H91 D96 M97 | Q89-L93 WeakPolarHBondContact O-CB 3.28Å; Q89-L93 PolarHBondContact O-N 2.89Å; H91-L93 PolarHBondContact O-N 3.14Å; L93-D96 PolarHBondContact O-N 3.1Å; L93-M97 HydrophobicContact CD1-CE 4.22Å; L93-M97 HydrophobicContact CD1-CG 4.48Å; L93-M97 WeakPolarHBondContact O-CB 3.43Å; L93-M97 VanDerWaalsContact O-CG 3.23Å; L93-M97 WeakPolarHBondContact O-CG 3.47Å; L93-M97 PolarHBondContact O-N 2.96Å |
| 94 | Q | 98.6 | Very high | 98.6 | Very high | 111 Ų | 111 | 95.3 Ų | 95.3 | 52% | 0.519 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 177.4 | -178.9 | 175.4 | -15.7 | 0 | 0 | 111.6 | C90 H91 A92 M97 Q98 | C90-Q94 VanDerWaalsContact O-CB 3.3Å; C90-Q94 WeakPolarHBondContact O-CB 3.39Å; C90-Q94 PolarHBondContact O-N 3.14Å; H91-Q94 WeakPolarHBondContact O-CB 3.2Å; H91-Q94 PolarHBondContact O-N 3.32Å; H91-Q94 VanDerWaalsContact O-N 3.13Å; A92-Q94 VanDerWaalsContact C-N 3.3Å; A92-Q94 PolarHBondContact O-N 3.04Å; Q94-M97 PolarHBondContact O-N 3.2Å; Q94-Q98 WeakPolarHBondContact O-CB 3.37Å; Q94-Q98 VanDerWaalsContact O-CG 3.24Å; Q94-Q98 WeakPolarHBondContact O-CG 3.5Å; Q94-Q98 PolarHBondContact O-N 3.43Å |
| 95 | E | 98.6 | Very high | 98.6 | Very high | 126 Ų | 126 | 97.9 Ų | 97.9 | 59% | 0.589 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.3 | -42.4 | 175.8 | -71.1 | 177.8 | 172 | 0 | 0 | 111.7 | H91 A92 M97 Q98 S99 | H91-E95 WeakPolarHBondContact O-CG 3.45Å; H91-E95 PolarHBondContact O-N 3.37Å; A92-E95 PolarHBondContact O-N 3.44Å; E95-M97 PolarHBondContact O-N 3.44Å; E95-Q98 PolarHBondContact O-N 2.88Å; E95-S99 WeakPolarHBondContact O-CB 3.33Å; E95-S99 PolarHBondContact O-N 3.26Å; E95-S99 PolarHBondContact O-OG 2.92Å |
| 96 | D | 98.7 | Very high | 98.6 | Very high | 84 Ų | 84 | 100.3 Ų | 100.3 | 45% | 0.449 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 174.5 | -80.9 | -5.2 | 0 | 0 | 0 | 111.6 | A92 L93 S99 R100 | A92-D96 WeakPolarHBondContact O-CB 3.49Å; A92-D96 PolarHBondContact O-N 3.36Å; L93-D96 PolarHBondContact O-N 3.1Å; D96-S99 PolarHBondContact O-N 3.48Å; D96-S99 PolarHBondContact O-OG 2.92Å; D96-R100 WeakPolarHBondContact O-CB 3.46Å; D96-R100 VanDerWaalsContact O-CG 3.3Å; D96-R100 WeakPolarHBondContact O-CG 3.45Å; D96-R100 PolarHBondContact O-N 2.9Å |
| 97 | M | 98.4 | Very high | 98.6 | Very high | 109 Ų | 109 | 100.9 Ų | 100.9 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 177.2 | -71.9 | -64.5 | -169.5 | 0 | 0 | 111.9 | L93 Q94 E95 R100 S101 | L93-M97 HydrophobicContact CD1-CE 4.22Å; L93-M97 HydrophobicContact CD1-CG 4.48Å; L93-M97 WeakPolarHBondContact O-CB 3.43Å; L93-M97 VanDerWaalsContact O-CG 3.23Å; L93-M97 WeakPolarHBondContact O-CG 3.47Å; L93-M97 PolarHBondContact O-N 2.96Å; Q94-M97 PolarHBondContact O-N 3.2Å; E95-M97 PolarHBondContact O-N 3.44Å; M97-R100 PolarHBondContact O-N 2.93Å; M97-S101 WeakPolarHBondContact O-CB 3.41Å; M97-S101 PolarHBondContact O-N 2.94Å |
| 98 | Q | 98.7 | Very high | 98.6 | Very high | 92 Ų | 92 | 102.8 Ų | 102.8 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66 | -41.3 | 176.8 | -74.8 | 176.6 | 4.1 | 0 | 0 | 112.2 | Q94 E95 S101 K102 | Q94-Q98 WeakPolarHBondContact O-CB 3.37Å; Q94-Q98 VanDerWaalsContact O-CG 3.24Å; Q94-Q98 WeakPolarHBondContact O-CG 3.5Å; Q94-Q98 PolarHBondContact O-N 3.43Å; E95-Q98 PolarHBondContact O-N 2.88Å; Q98-S101 PolarHBondContact O-N 3.13Å; Q98-K102 VanDerWaalsContact O-CG 3.31Å; Q98-K102 WeakPolarHBondContact O-CG 3.34Å; Q98-K102 PolarHBondContact O-N 3.33Å |
| 99 | S | 98.5 | Very high | 98.6 | Very high | 49 Ų | 49 | 101.5 Ų | 101.5 | 34% | 0.343 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65 | -43.8 | 177.2 | 64.5 | 0 | 0 | 0 | 0 | 111.3 | E95 D96 K102 Q103 | E95-S99 WeakPolarHBondContact O-CB 3.33Å; E95-S99 PolarHBondContact O-N 3.26Å; E95-S99 PolarHBondContact O-OG 2.92Å; D96-S99 PolarHBondContact O-N 3.48Å; D96-S99 PolarHBondContact O-OG 2.92Å; S99-K102 PolarHBondContact O-N 3.45Å; S99-Q103 VanDerWaalsContact O-CG 3.31Å; S99-Q103 WeakPolarHBondContact O-CG 3.42Å; S99-Q103 PolarHBondContact O-N 2.89Å |
| 100 | R | 98.8 | Very high | 98.6 | Very high | 145 Ų | 145 | 97.9 Ų | 97.9 | 55% | 0.547 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 174 | -71.7 | 176.4 | -174.6 | -172.9 | 3.6 | 112.6 | D96 M97 K102 Q103 L104 | D96-R100 WeakPolarHBondContact O-CB 3.46Å; D96-R100 VanDerWaalsContact O-CG 3.3Å; D96-R100 WeakPolarHBondContact O-CG 3.45Å; D96-R100 PolarHBondContact O-N 2.9Å; M97-R100 PolarHBondContact O-N 2.93Å; R100-K102 VanDerWaalsContact C-N 3.34Å; R100-K102 PolarHBondContact O-N 3.46Å; R100-Q103 PolarHBondContact O-N 3.29Å; R100-L104 WeakPolarHBondContact O-CB 3.37Å; R100-L104 WeakPolarHBondContact O-CG 3.27Å; R100-L104 PolarHBondContact O-N 2.83Å |
| 101 | S | 98.6 | Very high | 98.6 | Very high | 56 Ų | 56 | 99.5 Ų | 99.5 | 39% | 0.392 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.1 | -47.2 | 175.8 | -166.4 | 0 | 0 | 0 | 0 | 111 | M97 Q98 Q103 L104 E105 | M97-S101 WeakPolarHBondContact O-CB 3.41Å; M97-S101 PolarHBondContact O-N 2.94Å; Q98-S101 PolarHBondContact O-N 3.13Å; S101-Q103 PolarHBondContact O-N 2.87Å; S101-L104 PolarHBondContact O-N 2.96Å; S101-E105 WeakPolarHBondContact O-CB 3.31Å; S101-E105 VanDerWaalsContact O-CG 3.29Å; S101-E105 WeakPolarHBondContact O-CG 3.38Å; S101-E105 PolarHBondContact O-N 3.36Å; S101-E105 PolarHBondContact OG-OE1 2.92Å; S101-E105 VanDerWaalsContact OG-OE1 3.13Å |
| 102 | K | 98.7 | Very high | 98.6 | Very high | 123 Ų | 123 | 101.2 Ų | 101.2 | 54% | 0.535 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.3 | -45.3 | 177.9 | -71.5 | 171.7 | -176.8 | 176.5 | 0 | 112.2 | Q98 S99 R100 L104 E105 E106 | Q98-K102 VanDerWaalsContact O-CG 3.31Å; Q98-K102 WeakPolarHBondContact O-CG 3.34Å; Q98-K102 PolarHBondContact O-N 3.33Å; S99-K102 PolarHBondContact O-N 3.45Å; R100-K102 VanDerWaalsContact C-N 3.34Å; R100-K102 PolarHBondContact O-N 3.46Å; K102-L104 PolarHBondContact O-N 3.49Å; K102-E105 PolarHBondContact O-N 3.36Å; K102-E106 WeakPolarHBondContact O-CG 3.46Å; K102-E106 PolarHBondContact O-N 3.35Å |
| 103 | Q | 98.8 | Very high | 98.6 | Very high | 108 Ų | 108 | 100.8 Ų | 100.8 | 51% | 0.505 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.3 | -48.4 | 176.7 | -74.3 | 169.8 | -10.4 | 0 | 0 | 111.4 | S99 R100 S101 E105 E106 E107 | S99-Q103 VanDerWaalsContact O-CG 3.31Å; S99-Q103 WeakPolarHBondContact O-CG 3.42Å; S99-Q103 PolarHBondContact O-N 2.89Å; R100-Q103 PolarHBondContact O-N 3.29Å; S101-Q103 PolarHBondContact O-N 2.87Å; Q103-E105 VanDerWaalsContact C-N 3.35Å; Q103-E105 PolarHBondContact O-N 3.38Å; Q103-E106 PolarHBondContact O-N 2.84Å; Q103-E107 WeakPolarHBondContact O-CG 3.3Å; Q103-E107 PolarHBondContact O-N 2.98Å |
| 104 | L | 98.8 | Very high | 98.7 | Very high | 103 Ų | 103 | 102.1 Ų | 102.1 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.8 | -39.5 | 177.9 | -71.8 | 171.7 | 0 | 0 | 0 | 112.2 | R100 S101 K102 E106 E107 V108 | R100-L104 WeakPolarHBondContact O-CB 3.37Å; R100-L104 WeakPolarHBondContact O-CG 3.27Å; R100-L104 PolarHBondContact O-N 2.83Å; S101-L104 PolarHBondContact O-N 2.96Å; K102-L104 PolarHBondContact O-N 3.49Å; L104-E106 VanDerWaalsContact C-N 3.34Å; L104-E106 PolarHBondContact O-N 2.91Å; L104-E107 PolarHBondContact O-N 3.25Å; L104-V108 WeakPolarHBondContact O-CB 3.46Å; L104-V108 VanDerWaalsContact O-CG2 3.22Å; L104-V108 WeakPolarHBondContact O-CG2 3.43Å; L104-V108 PolarHBondContact O-N 3.01Å |
| 105 | E | 98.8 | Very high | 98.7 | Very high | 96 Ų | 96 | 100.7 Ų | 100.7 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.9 | -39.7 | 175.1 | -75.5 | 169.6 | -146.9 | 0 | 0 | 112.3 | S101 K102 Q103 K109 | S101-E105 WeakPolarHBondContact O-CB 3.31Å; S101-E105 VanDerWaalsContact O-CG 3.29Å; S101-E105 WeakPolarHBondContact O-CG 3.38Å; S101-E105 PolarHBondContact O-N 3.36Å; S101-E105 PolarHBondContact OG-OE1 2.92Å; S101-E105 VanDerWaalsContact OG-OE1 3.13Å; K102-E105 PolarHBondContact O-N 3.36Å; Q103-E105 VanDerWaalsContact C-N 3.35Å; Q103-E105 PolarHBondContact O-N 3.38Å; E105-K109 WeakPolarHBondContact O-CB 3.47Å; E105-K109 WeakPolarHBondContact O-CD 3.49Å; E105-K109 VanDerWaalsContact O-CG 3.23Å; E105-K109 WeakPolarHBondContact O-CG 3.36Å; E105-K109 PolarHBondContact O-N 2.87Å |
| 106 | E | 98.7 | Very high | 98.7 | Very high | 135 Ų | 135 | 98.6 Ų | 98.6 | 63% | 0.631 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.3 | -43.8 | 175.3 | -73.4 | 173.9 | -179.9 | 0 | 0 | 111.7 | K102 Q103 L104 K109 G110 | K102-E106 WeakPolarHBondContact O-CG 3.46Å; K102-E106 PolarHBondContact O-N 3.35Å; Q103-E106 PolarHBondContact O-N 2.84Å; L104-E106 VanDerWaalsContact C-N 3.34Å; L104-E106 PolarHBondContact O-N 2.91Å; E106-K109 PolarHBondContact O-N 3.19Å; E106-G110 PolarHBondContact O-N 3.46Å |
| 107 | E | 98.8 | Very high | 98.6 | Very high | 119 Ų | 119 | 96.4 Ų | 96.4 | 56% | 0.556 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.7 | -46.3 | 174.7 | -74.9 | 178 | -171.9 | 0 | 0 | 111.6 | Q103 L104 K109 G110 L111 | Q103-E107 WeakPolarHBondContact O-CG 3.3Å; Q103-E107 PolarHBondContact O-N 2.98Å; L104-E107 PolarHBondContact O-N 3.25Å; E107-K109 PolarHBondContact O-N 3.42Å; E107-G110 PolarHBondContact O-N 3.24Å; E107-L111 WeakPolarHBondContact O-CB 3.45Å; E107-L111 WeakPolarHBondContact O-CG 3.39Å; E107-L111 PolarHBondContact O-N 3.45Å |
| 108 | V | 98.8 | Very high | 98.6 | Very high | 78 Ų | 78 | 94.8 Ų | 94.8 | 47% | 0.473 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.5 | -47.3 | 176.7 | 168.1 | 0 | 0 | 0 | 0 | 110.2 | L104 G110 L111 W112 | L104-V108 WeakPolarHBondContact O-CB 3.46Å; L104-V108 VanDerWaalsContact O-CG2 3.22Å; L104-V108 WeakPolarHBondContact O-CG2 3.43Å; L104-V108 PolarHBondContact O-N 3.01Å; V108-G110 VanDerWaalsContact C-N 3.32Å; V108-G110 PolarHBondContact O-N 2.98Å; V108-L111 PolarHBondContact O-N 3.5Å; V108-W112 WeakPolarHBondContact O-CB 3.45Å; V108-W112 VanDerWaalsContact O-CD1 3.23Å; V108-W112 PolarHBondContact O-N 3.24Å |
| 109 | K | 98.6 | Very high | 98.6 | Very high | 144 Ų | 144 | 95.8 Ų | 95.8 | 63% | 0.626 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.6 | -41.7 | 176.2 | -73.8 | 168.3 | -173.8 | 167.3 | 0 | 112 | E105 E106 E107 W112 G113 | E105-K109 WeakPolarHBondContact O-CB 3.47Å; E105-K109 WeakPolarHBondContact O-CD 3.49Å; E105-K109 VanDerWaalsContact O-CG 3.23Å; E105-K109 WeakPolarHBondContact O-CG 3.36Å; E105-K109 PolarHBondContact O-N 2.87Å; E106-K109 PolarHBondContact O-N 3.19Å; E107-K109 PolarHBondContact O-N 3.42Å; K109-W112 PolarHBondContact O-N 3.45Å; K109-G113 PolarHBondContact O-N 3.33Å |
| 110 | G | 98.6 | Very high | 98.6 | Very high | 36 Ų | 36 | 100.8 Ų | 100.8 | 37% | 0.371 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -48 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | E106 E107 V108 W112 G113 Q114 | E106-G110 PolarHBondContact O-N 3.46Å; E107-G110 PolarHBondContact O-N 3.24Å; V108-G110 VanDerWaalsContact C-N 3.32Å; V108-G110 PolarHBondContact O-N 2.98Å; G110-W112 PolarHBondContact O-N 2.85Å; G110-G113 PolarHBondContact O-N 2.92Å; G110-Q114 WeakPolarHBondContact O-CG 3.29Å; G110-Q114 PolarHBondContact O-N 3.02Å |
| 111 | L | 98.6 | Very high | 98.6 | Very high | 107 Ų | 107 | 100.4 Ų | 100.4 | 56% | 0.56 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.9 | -39.7 | 177.3 | -70.9 | 174.3 | 0 | 0 | 0 | 112.1 | E107 V108 Q114 L115 | E107-L111 WeakPolarHBondContact O-CB 3.45Å; E107-L111 WeakPolarHBondContact O-CG 3.39Å; E107-L111 PolarHBondContact O-N 3.45Å; V108-L111 PolarHBondContact O-N 3.5Å; L111-Q114 PolarHBondContact O-N 3.43Å; L111-L115 WeakPolarHBondContact O-CB 3.22Å; L111-L115 PolarHBondContact O-N 2.9Å |
| 112 | W | 98.6 | Very high | 98.6 | Very high | 153 Ų | 153 | 99.9 Ų | 99.9 | 58% | 0.58 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.8 | -45.7 | 173 | -92.6 | 98.1 | 0 | 0 | 0 | 111.8 | V108 K109 G110 Q114 L115 E116 | V108-W112 WeakPolarHBondContact O-CB 3.45Å; V108-W112 VanDerWaalsContact O-CD1 3.23Å; V108-W112 PolarHBondContact O-N 3.24Å; K109-W112 PolarHBondContact O-N 3.45Å; G110-W112 PolarHBondContact O-N 2.85Å; W112-Q114 VanDerWaalsContact C-N 3.33Å; W112-Q114 PolarHBondContact O-N 2.98Å; W112-L115 PolarHBondContact O-N 2.85Å; W112-E116 WeakPolarHBondContact O-CG 3.23Å; W112-E116 PolarHBondContact O-N 3Å |
| 113 | G | 98.6 | Very high | 98.6 | Very high | 39 Ų | 39 | 96.2 Ų | 96.2 | 40% | 0.402 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.2 | -42.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K109 G110 E116 A117 | K109-G113 PolarHBondContact O-N 3.33Å; G110-G113 PolarHBondContact O-N 2.92Å; G113-E116 PolarHBondContact O-N 2.91Å; G113-A117 WeakPolarHBondContact O-CB 3.23Å; G113-A117 PolarHBondContact O-N 3.36Å |
| 114 | Q | 98.6 | Very high | 98.6 | Very high | 132 Ų | 132 | 93.1 Ų | 93.1 | 62% | 0.617 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.1 | -41.9 | 175.9 | -70.8 | 174.5 | 11.3 | 0 | 0 | 112.3 | G110 L111 W112 A117 C118 | G110-Q114 WeakPolarHBondContact O-CG 3.29Å; G110-Q114 PolarHBondContact O-N 3.02Å; L111-Q114 PolarHBondContact O-N 3.43Å; W112-Q114 VanDerWaalsContact C-N 3.33Å; W112-Q114 PolarHBondContact O-N 2.98Å; Q114-A117 PolarHBondContact O-N 2.79Å; Q114-C118 VanDerWaalsContact O-CB 3.31Å; Q114-C118 WeakPolarHBondContact O-CB 3.44Å; Q114-C118 PolarHBondContact O-N 2.96Å |
| 115 | L | 98.7 | Very high | 98.6 | Very high | 81 Ų | 81 | 90.8 Ų | 90.8 | 42% | 0.424 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 177.7 | 178.8 | 61.9 | 0 | 0 | 0 | 111 | L111 W112 C118 Q119 | L111-L115 WeakPolarHBondContact O-CB 3.22Å; L111-L115 PolarHBondContact O-N 2.9Å; W112-L115 PolarHBondContact O-N 2.85Å; L115-C118 PolarHBondContact O-N 3.49Å; L115-Q119 HydrophobicContact CD1-CG 4.44Å; L115-Q119 WeakPolarHBondContact O-CB 3.46Å; L115-Q119 VanDerWaalsContact O-CG 3.27Å; L115-Q119 WeakPolarHBondContact O-CG 3.49Å; L115-Q119 PolarHBondContact O-N 3.43Å |
| 116 | E | 98.6 | Very high | 98.6 | Very high | 81 Ų | 81 | 95 Ų | 95 | 38% | 0.379 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 177.2 | -69.2 | -174.6 | -178.4 | 0 | 0 | 112.4 | W112 G113 Q119 R120 | W112-E116 WeakPolarHBondContact O-CG 3.23Å; W112-E116 PolarHBondContact O-N 3Å; G113-E116 PolarHBondContact O-N 2.91Å; E116-Q119 PolarHBondContact O-N 3.49Å; E116-R120 WeakPolarHBondContact O-CG 3.44Å; E116-R120 PolarHBondContact O-N 2.95Å; E116-R120 IonicContact OE2-CZ 3.81Å; E116-R120 IonicContact OE2-NH1 2.83Å; E116-R120 IonicContact OE2-NH2 2.63Å; E116-R120 PolarHBondContact OE2-NH2 3.42Å |
| 117 | A | 98.6 | Very high | 98.6 | Very high | 38 Ų | 38 | 94.9 Ų | 94.9 | 31% | 0.314 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.5 | -49.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | G113 Q114 Q119 R120 E121 | G113-A117 WeakPolarHBondContact O-CB 3.23Å; G113-A117 PolarHBondContact O-N 3.36Å; Q114-A117 PolarHBondContact O-N 2.79Å; A117-Q119 VanDerWaalsContact C-N 3.3Å; A117-Q119 PolarHBondContact O-N 3.34Å; A117-R120 PolarHBondContact O-N 3.48Å; A117-R120 VanDerWaalsContact O-N 3.13Å; A117-E121 WeakPolarHBondContact O-CG 3.47Å; A117-E121 PolarHBondContact O-N 3.3Å |
| 118 | C | 98.3 | Very high | 98.6 | Very high | 75 Ų | 75 | 95.9 Ų | 95.9 | 51% | 0.507 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.3 | -40.1 | 176.7 | -178.9 | 0 | 0 | 0 | 0 | 112.1 | Q114 L115 E121 A122 | Q114-C118 VanDerWaalsContact O-CB 3.31Å; Q114-C118 WeakPolarHBondContact O-CB 3.44Å; Q114-C118 PolarHBondContact O-N 2.96Å; L115-C118 PolarHBondContact O-N 3.49Å; C118-E121 PolarHBondContact O-N 3.41Å; C118-A122 VanDerWaalsContact O-CB 3.28Å; C118-A122 WeakPolarHBondContact O-CB 3.24Å; C118-A122 PolarHBondContact O-N 3.49Å |
| 119 | Q | 98.6 | Very high | 98.6 | Very high | 114 Ų | 114 | 95.1 Ų | 95.1 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 175.4 | -76.4 | 176.9 | 13.5 | 0 | 0 | 112.5 | L115 E116 A117 A122 A123 | L115-Q119 HydrophobicContact CD1-CG 4.44Å; L115-Q119 WeakPolarHBondContact O-CB 3.46Å; L115-Q119 VanDerWaalsContact O-CG 3.27Å; L115-Q119 WeakPolarHBondContact O-CG 3.49Å; L115-Q119 PolarHBondContact O-N 3.43Å; E116-Q119 PolarHBondContact O-N 3.49Å; A117-Q119 VanDerWaalsContact C-N 3.3Å; A117-Q119 PolarHBondContact O-N 3.34Å; Q119-A122 PolarHBondContact O-N 3.02Å; Q119-A123 WeakPolarHBondContact O-CB 3.44Å; Q119-A123 PolarHBondContact O-N 3.25Å |
| 120 | R | 98.6 | Very high | 98.6 | Very high | 154 Ų | 154 | 93 Ų | 93 | 58% | 0.581 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.8 | -45 | 176.6 | -71 | 178.9 | -165.9 | 102.1 | 4.1 | 111.3 | E116 A117 A123 A124 | E116-R120 WeakPolarHBondContact O-CG 3.44Å; E116-R120 PolarHBondContact O-N 2.95Å; E116-R120 IonicContact OE2-CZ 3.81Å; E116-R120 IonicContact OE2-NH1 2.83Å; E116-R120 IonicContact OE2-NH2 2.63Å; E116-R120 PolarHBondContact OE2-NH2 3.42Å; A117-R120 PolarHBondContact O-N 3.48Å; A117-R120 VanDerWaalsContact O-N 3.13Å; R120-A123 PolarHBondContact O-N 2.92Å; R120-A124 WeakPolarHBondContact O-CB 3.39Å; R120-A124 PolarHBondContact O-N 3.42Å |
| 121 | E | 98.6 | Very high | 98.6 | Very high | 137 Ų | 137 | 95.4 Ų | 95.4 | 64% | 0.64 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.7 | -44.8 | 176.5 | -71.7 | 172.1 | -172.6 | 0 | 0 | 111.6 | A117 C118 A123 A124 A125 | A117-E121 WeakPolarHBondContact O-CG 3.47Å; A117-E121 PolarHBondContact O-N 3.3Å; C118-E121 PolarHBondContact O-N 3.41Å; E121-A123 VanDerWaalsContact C-N 3.33Å; E121-A123 PolarHBondContact O-N 2.94Å; E121-A124 PolarHBondContact O-N 3.28Å; E121-A125 WeakPolarHBondContact O-CB 3.43Å; E121-A125 PolarHBondContact O-N 2.89Å |
| 122 | A | 98.3 | Very high | 98.5 | Very high | 44 Ų | 44 | 92.5 Ų | 92.5 | 36% | 0.364 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.4 | -37 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | C118 Q119 R126 | C118-A122 VanDerWaalsContact O-CB 3.28Å; C118-A122 WeakPolarHBondContact O-CB 3.24Å; C118-A122 PolarHBondContact O-N 3.49Å; Q119-A122 PolarHBondContact O-N 3.02Å; A122-R126 WeakPolarHBondContact O-CB 3.43Å; A122-R126 WeakPolarHBondContact O-CG 3.3Å; A122-R126 PolarHBondContact O-N 3.4Å; A122-R126 VanDerWaalsContact O-N 3.1Å |
| 123 | A | 98.6 | Very high | 98.5 | Very high | 46 Ų | 46 | 90.2 Ų | 90.2 | 38% | 0.38 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.8 | -48.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q119 R120 E121 A125 R126 E127 | Q119-A123 WeakPolarHBondContact O-CB 3.44Å; Q119-A123 PolarHBondContact O-N 3.25Å; R120-A123 PolarHBondContact O-N 2.92Å; E121-A123 VanDerWaalsContact C-N 3.33Å; E121-A123 PolarHBondContact O-N 2.94Å; A123-A125 PolarHBondContact O-N 2.94Å; A123-R126 WeakPolarHBondContact O-CB 3.31Å; A123-R126 PolarHBondContact O-N 3.5Å; A123-R126 VanDerWaalsContact O-N 3.14Å; A123-E127 WeakPolarHBondContact O-CG 3.45Å; A123-E127 PolarHBondContact O-N 3.13Å |
| 124 | A | 98.5 | Very high | 98.5 | Very high | 43 Ų | 43 | 93.9 Ų | 93.9 | 36% | 0.355 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.7 | -46.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R120 E121 R126 E127 E128 | R120-A124 WeakPolarHBondContact O-CB 3.39Å; R120-A124 PolarHBondContact O-N 3.42Å; E121-A124 PolarHBondContact O-N 3.28Å; A124-R126 VanDerWaalsContact C-N 3.28Å; A124-R126 PolarHBondContact O-N 3.5Å; A124-E127 PolarHBondContact O-N 2.91Å; A124-E128 WeakPolarHBondContact O-CG 3.47Å; A124-E128 PolarHBondContact O-N 2.84Å |
| 125 | A | 98.4 | Very high | 98.5 | Very high | 55 Ų | 55 | 92.7 Ų | 92.7 | 46% | 0.455 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.8 | -35 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E121 A123 A129 | E121-A125 WeakPolarHBondContact O-CB 3.43Å; E121-A125 PolarHBondContact O-N 2.89Å; A123-A125 PolarHBondContact O-N 2.94Å; A125-A129 WeakPolarHBondContact O-CB 3.42Å; A125-A129 PolarHBondContact O-N 3.49Å |
| 126 | R | 98.6 | Very high | 98.5 | Very high | 184 Ų | 184 | 97.2 Ų | 97.2 | 69% | 0.694 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.1 | -45.9 | 174.4 | -75.2 | 170.9 | -175.8 | -154.4 | 2.5 | 111.4 | A122 A123 A124 E128 A129 E130 | A122-R126 WeakPolarHBondContact O-CB 3.43Å; A122-R126 WeakPolarHBondContact O-CG 3.3Å; A122-R126 PolarHBondContact O-N 3.4Å; A122-R126 VanDerWaalsContact O-N 3.1Å; A123-R126 WeakPolarHBondContact O-CB 3.31Å; A123-R126 PolarHBondContact O-N 3.5Å; A123-R126 VanDerWaalsContact O-N 3.14Å; A124-R126 VanDerWaalsContact C-N 3.28Å; A124-R126 PolarHBondContact O-N 3.5Å; R126-E128 VanDerWaalsContact C-N 3.34Å; R126-E128 PolarHBondContact O-N 3.29Å; R126-A129 PolarHBondContact O-N 2.98Å; R126-E130 WeakPolarHBondContact O-CG 3.35Å; R126-E130 PolarHBondContact O-N 2.92Å |
| 127 | E | 98.6 | Very high | 98.5 | Very high | 133 Ų | 133 | 97.1 Ų | 97.1 | 62% | 0.621 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.5 | -44.5 | 177.9 | -72.2 | 179.2 | 177.4 | 0 | 0 | 111.6 | A123 A124 E130 Q131 | A123-E127 WeakPolarHBondContact O-CG 3.45Å; A123-E127 PolarHBondContact O-N 3.13Å; A124-E127 PolarHBondContact O-N 2.91Å; E127-E130 PolarHBondContact O-N 2.9Å; E127-Q131 WeakPolarHBondContact O-CB 3.35Å; E127-Q131 PolarHBondContact O-N 3.31Å |
| 128 | E | 98.7 | Very high | 98.5 | Very high | 140 Ų | 140 | 100.9 Ų | 100.9 | 65% | 0.654 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.4 | -45.2 | 174.9 | -73.4 | 176.8 | -174.2 | 0 | 0 | 111.9 | A124 R126 Q131 A132 | A124-E128 WeakPolarHBondContact O-CG 3.47Å; A124-E128 PolarHBondContact O-N 2.84Å; R126-E128 VanDerWaalsContact C-N 3.34Å; R126-E128 PolarHBondContact O-N 3.29Å; E128-Q131 PolarHBondContact O-N 2.9Å; E128-A132 WeakPolarHBondContact O-CB 3.45Å; E128-A132 PolarHBondContact O-N 2.93Å |
| 129 | A | 98.4 | Very high | 98.5 | Very high | 61 Ų | 61 | 99.3 Ų | 99.3 | 50% | 0.504 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A125 R126 Q131 A132 L133 | A125-A129 WeakPolarHBondContact O-CB 3.42Å; A125-A129 PolarHBondContact O-N 3.49Å; R126-A129 PolarHBondContact O-N 2.98Å; A129-Q131 VanDerWaalsContact C-N 3.34Å; A129-A132 PolarHBondContact O-N 3.35Å; A129-L133 WeakPolarHBondContact O-CB 3.47Å; A129-L133 PolarHBondContact O-N 3.17Å |
| 130 | E | 98.6 | Very high | 98.6 | Very high | 99 Ų | 99 | 97.5 Ų | 97.5 | 46% | 0.463 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 174.7 | -75.7 | -177.4 | -167.7 | 0 | 0 | 111.8 | R126 E127 L133 R134 | R126-E130 WeakPolarHBondContact O-CG 3.35Å; R126-E130 PolarHBondContact O-N 2.92Å; E127-E130 PolarHBondContact O-N 2.9Å; E130-L133 WeakPolarHBondContact O-CB 3.49Å; E130-L133 PolarHBondContact O-N 3.26Å; E130-R134 WeakPolarHBondContact O-CG 3.3Å; E130-R134 PolarHBondContact O-N 3.43Å; E130-R134 IonicContact OE2-CZ 3.84Å; E130-R134 IonicContact OE2-NH1 2.89Å; E130-R134 IonicContact OE2-NH2 3.72Å; E130-R134 PolarHBondContact OE2-NH2 3.4Å |
| 131 | Q | 98.6 | Very high | 98.5 | Very high | 87 Ų | 87 | 93.1 Ų | 93.1 | 41% | 0.407 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 178 | -176.3 | 58.4 | 20.7 | 0 | 0 | 111.3 | E127 E128 A129 L133 R134 E135 | E127-Q131 WeakPolarHBondContact O-CB 3.35Å; E127-Q131 PolarHBondContact O-N 3.31Å; E128-Q131 PolarHBondContact O-N 2.9Å; A129-Q131 VanDerWaalsContact C-N 3.34Å; Q131-L133 VanDerWaalsContact C-N 3.28Å; Q131-L133 PolarHBondContact O-N 2.97Å; Q131-R134 PolarHBondContact O-N 3.47Å; Q131-E135 PolarHBondContact NE2-OE1 2.75Å; Q131-E135 VanDerWaalsContact NE2-OE1 3.14Å; Q131-E135 WeakPolarHBondContact O-CG 3.5Å; Q131-E135 PolarHBondContact O-N 3.48Å |
| 132 | A | 98.3 | Very high | 98.5 | Very high | 46 Ų | 46 | 92.9 Ų | 92.9 | 38% | 0.38 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.1 | -38.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | E128 A129 E135 R136 | E128-A132 WeakPolarHBondContact O-CB 3.45Å; E128-A132 PolarHBondContact O-N 2.93Å; A129-A132 PolarHBondContact O-N 3.35Å; A132-E135 PolarHBondContact O-N 3.38Å; A132-R136 VanDerWaalsContact O-CG 3.29Å; A132-R136 WeakPolarHBondContact O-CG 3.47Å; A132-R136 PolarHBondContact O-N 3.03Å |
| 133 | L | 98.6 | Very high | 98.6 | Very high | 106 Ų | 106 | 96.1 Ų | 96.1 | 56% | 0.555 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.2 | -48 | 174.7 | -166.7 | 95.1 | 0 | 0 | 0 | 111.2 | A129 E130 Q131 E135 R136 D137 | A129-L133 WeakPolarHBondContact O-CB 3.47Å; A129-L133 PolarHBondContact O-N 3.17Å; E130-L133 WeakPolarHBondContact O-CB 3.49Å; E130-L133 PolarHBondContact O-N 3.26Å; Q131-L133 VanDerWaalsContact C-N 3.28Å; Q131-L133 PolarHBondContact O-N 2.97Å; L133-E135 VanDerWaalsContact C-N 3.32Å; L133-E135 PolarHBondContact O-N 2.87Å; L133-R136 PolarHBondContact O-N 2.86Å; L133-D137 PolarHBondContact O-N 3.36Å |
| 134 | R | 98.6 | Very high | 98.5 | Very high | 116 Ų | 116 | 102.4 Ų | 102.4 | 44% | 0.438 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58 | -44.3 | 178.2 | -71.5 | 174.9 | -169 | 114.2 | 10.3 | 111.7 | E130 Q131 D137 Q138 | E130-R134 WeakPolarHBondContact O-CG 3.3Å; E130-R134 PolarHBondContact O-N 3.43Å; E130-R134 IonicContact OE2-CZ 3.84Å; E130-R134 IonicContact OE2-NH1 2.89Å; E130-R134 IonicContact OE2-NH2 3.72Å; E130-R134 PolarHBondContact OE2-NH2 3.4Å; Q131-R134 PolarHBondContact O-N 3.47Å; R134-D137 PolarHBondContact O-N 3.11Å; R134-Q138 WeakPolarHBondContact O-CB 3.48Å; R134-Q138 VanDerWaalsContact O-CG 3.24Å; R134-Q138 WeakPolarHBondContact O-CG 3.36Å; R134-Q138 PolarHBondContact O-N 3.13Å |
| 135 | E | 98.7 | Very high | 98.6 | Very high | 106 Ų | 106 | 104.3 Ų | 104.3 | 50% | 0.495 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 177.6 | -72.4 | 171.7 | -167.9 | 0 | 0 | 111.8 | Q131 A132 L133 Q138 A139 | Q131-E135 PolarHBondContact NE2-OE1 2.75Å; Q131-E135 VanDerWaalsContact NE2-OE1 3.14Å; Q131-E135 WeakPolarHBondContact O-CG 3.5Å; Q131-E135 PolarHBondContact O-N 3.48Å; A132-E135 PolarHBondContact O-N 3.38Å; L133-E135 VanDerWaalsContact C-N 3.32Å; L133-E135 PolarHBondContact O-N 2.87Å; E135-Q138 PolarHBondContact O-N 3.2Å; E135-A139 WeakPolarHBondContact O-CB 3.43Å; E135-A139 PolarHBondContact O-N 3.01Å |
| 136 | R | 98.5 | Very high | 98.6 | Very high | 176 Ų | 176 | 107 Ų | 107 | 66% | 0.664 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.2 | -42.9 | 175.6 | -71.6 | -175.2 | 72.3 | 88.1 | 7 | 112.3 | A132 L133 Q138 A139 L140 | A132-R136 VanDerWaalsContact O-CG 3.29Å; A132-R136 WeakPolarHBondContact O-CG 3.47Å; A132-R136 PolarHBondContact O-N 3.03Å; L133-R136 PolarHBondContact O-N 2.86Å; R136-Q138 VanDerWaalsContact C-N 3.33Å; R136-A139 PolarHBondContact O-N 2.95Å; R136-L140 WeakPolarHBondContact O-CB 3.39Å; R136-L140 WeakPolarHBondContact O-CG 3.41Å; R136-L140 PolarHBondContact O-N 3.32Å |
| 137 | D | 98.7 | Very high | 98.6 | Very high | 80 Ų | 80 | 101.6 Ų | 101.6 | 43% | 0.428 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -37.8 | 178.7 | -75.5 | -22.1 | 0 | 0 | 0 | 111.7 | L133 R134 L140 S141 | L133-D137 PolarHBondContact O-N 3.36Å; R134-D137 PolarHBondContact O-N 3.11Å; D137-L140 PolarHBondContact O-N 2.99Å; D137-S141 WeakPolarHBondContact O-CB 3.28Å; D137-S141 PolarHBondContact O-N 3.45Å; D137-S141 PolarHBondContact O-OG 2.87Å |
| 138 | Q | 98.6 | Very high | 98.6 | Very high | 116 Ų | 116 | 97.6 Ų | 97.6 | 54% | 0.542 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -48.4 | 172.4 | -72.8 | 171.2 | 20.1 | 0 | 0 | 111.3 | R134 E135 R136 L140 S141 Q142 | R134-Q138 WeakPolarHBondContact O-CB 3.48Å; R134-Q138 VanDerWaalsContact O-CG 3.24Å; R134-Q138 WeakPolarHBondContact O-CG 3.36Å; R134-Q138 PolarHBondContact O-N 3.13Å; E135-Q138 PolarHBondContact O-N 3.2Å; R136-Q138 VanDerWaalsContact C-N 3.33Å; Q138-L140 VanDerWaalsContact C-N 3.35Å; Q138-L140 PolarHBondContact O-N 3.46Å; Q138-S141 WeakPolarHBondContact O-CB 3.38Å; Q138-S141 PolarHBondContact O-N 3.38Å; Q138-Q142 WeakPolarHBondContact O-CG 3.43Å; Q138-Q142 PolarHBondContact O-N 2.93Å |
| 139 | A | 98.4 | Very high | 98.5 | Very high | 43 Ų | 43 | 95.4 Ų | 95.4 | 36% | 0.355 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E135 R136 S141 Q142 L143 | E135-A139 WeakPolarHBondContact O-CB 3.43Å; E135-A139 PolarHBondContact O-N 3.01Å; R136-A139 PolarHBondContact O-N 2.95Å; A139-S141 VanDerWaalsContact C-N 3.33Å; A139-S141 PolarHBondContact O-N 2.9Å; A139-Q142 PolarHBondContact O-N 2.95Å; A139-L143 WeakPolarHBondContact O-CG 3.45Å; A139-L143 PolarHBondContact O-N 3.35Å |
| 140 | L | 98.7 | Very high | 98.6 | Very high | 76 Ų | 76 | 95.2 Ų | 95.2 | 40% | 0.398 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 174.6 | -77.8 | 172.8 | 0 | 0 | 0 | 111.9 | R136 D137 Q138 L143 R144 | R136-L140 WeakPolarHBondContact O-CB 3.39Å; R136-L140 WeakPolarHBondContact O-CG 3.41Å; R136-L140 PolarHBondContact O-N 3.32Å; D137-L140 PolarHBondContact O-N 2.99Å; Q138-L140 VanDerWaalsContact C-N 3.35Å; Q138-L140 PolarHBondContact O-N 3.46Å; L140-L143 PolarHBondContact O-N 3.29Å; L140-R144 WeakPolarHBondContact O-CB 3.29Å; L140-R144 VanDerWaalsContact O-CG 3.28Å; L140-R144 WeakPolarHBondContact O-CG 3.27Å; L140-R144 PolarHBondContact O-N 2.9Å |
| 141 | S | 98.4 | Very high | 98.5 | Very high | 62 Ų | 62 | 96.2 Ų | 96.2 | 43% | 0.434 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.7 | -44.9 | 177.8 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | D137 Q138 A139 L143 R144 T145 | D137-S141 WeakPolarHBondContact O-CB 3.28Å; D137-S141 PolarHBondContact O-N 3.45Å; D137-S141 PolarHBondContact O-OG 2.87Å; Q138-S141 WeakPolarHBondContact O-CB 3.38Å; Q138-S141 PolarHBondContact O-N 3.38Å; A139-S141 VanDerWaalsContact C-N 3.33Å; A139-S141 PolarHBondContact O-N 2.9Å; S141-L143 PolarHBondContact O-N 3.43Å; S141-R144 PolarHBondContact O-N 2.91Å; S141-T145 WeakPolarHBondContact O-CG2 3.48Å; S141-T145 PolarHBondContact O-N 3.44Å; S141-T145 PolarHBondContact O-OG1 3.32Å |
| 142 | Q | 98.6 | Very high | 98.5 | Very high | 131 Ų | 131 | 94.7 Ų | 94.7 | 61% | 0.612 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.1 | -41.9 | 175.8 | -70.3 | 171.5 | 2.9 | 0 | 0 | 112.5 | Q138 A139 T145 H146 | Q138-Q142 WeakPolarHBondContact O-CG 3.43Å; Q138-Q142 PolarHBondContact O-N 2.93Å; A139-Q142 PolarHBondContact O-N 2.95Å; Q142-T145 WeakPolarHBondContact CA-OG1 3.39Å; Q142-T145 PolarHBondContact O-N 2.92Å; Q142-T145 PolarHBondContact O-OG1 2.75Å; Q142-H146 WeakPolarHBondContact O-CB 3.42Å; Q142-H146 PolarHBondContact O-N 3.27Å |
| 143 | L | 98.5 | Very high | 98.5 | Very high | 112 Ų | 112 | 98.1 Ų | 98.1 | 59% | 0.586 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.2 | -42 | 176.1 | -76.7 | 167.8 | 0 | 0 | 0 | 111.4 | A139 L140 S141 H146 V147 | A139-L143 WeakPolarHBondContact O-CG 3.45Å; A139-L143 PolarHBondContact O-N 3.35Å; L140-L143 PolarHBondContact O-N 3.29Å; S141-L143 PolarHBondContact O-N 3.43Å; L143-H146 PolarHBondContact O-N 2.7Å; L143-V147 WeakPolarHBondContact O-CG2 3.35Å; L143-V147 PolarHBondContact O-N 3.03Å |
| 144 | R | 98.5 | Very high | 98.5 | Very high | 178 Ų | 178 | 99.9 Ų | 99.9 | 67% | 0.672 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62 | -44.1 | 176.5 | -76.2 | 172 | 177.7 | 167.2 | 0.7 | 112 | L140 S141 V147 A148 | L140-R144 WeakPolarHBondContact O-CB 3.29Å; L140-R144 VanDerWaalsContact O-CG 3.28Å; L140-R144 WeakPolarHBondContact O-CG 3.27Å; L140-R144 PolarHBondContact O-N 2.9Å; S141-R144 PolarHBondContact O-N 2.91Å; R144-V147 PolarHBondContact O-N 3.33Å; R144-A148 WeakPolarHBondContact O-CB 3.29Å; R144-A148 PolarHBondContact O-N 2.93Å |
| 145 | T | 98.6 | Very high | 98.5 | Very high | 83 Ų | 83 | 99.8 Ų | 99.8 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 176.6 | 53.2 | 0 | 0 | 0 | 0 | 111.2 | S141 Q142 V147 A148 D149 | S141-T145 WeakPolarHBondContact O-CG2 3.48Å; S141-T145 PolarHBondContact O-N 3.44Å; S141-T145 PolarHBondContact O-OG1 3.32Å; Q142-T145 WeakPolarHBondContact CA-OG1 3.39Å; Q142-T145 PolarHBondContact O-N 2.92Å; Q142-T145 PolarHBondContact O-OG1 2.75Å; T145-V147 VanDerWaalsContact C-N 3.34Å; T145-V147 PolarHBondContact O-N 3.49Å; T145-A148 PolarHBondContact O-N 2.9Å; T145-D149 VanDerWaalsContact O-CG 3.27Å; T145-D149 PolarHBondContact O-N 3.34Å |
| 146 | H | 98.5 | Very high | 98.5 | Very high | 111 Ų | 111 | 100.5 Ų | 100.5 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 177.1 | -179.8 | -83.7 | 0 | 0 | 0 | 112.2 | Q142 L143 D149 M150 | Q142-H146 WeakPolarHBondContact O-CB 3.42Å; Q142-H146 PolarHBondContact O-N 3.27Å; L143-H146 PolarHBondContact O-N 2.7Å; H146-D149 PolarHBondContact O-N 3.03Å; H146-M150 WeakPolarHBondContact O-CB 3.49Å; H146-M150 VanDerWaalsContact O-CG 3.25Å; H146-M150 WeakPolarHBondContact O-CG 3.46Å; H146-M150 PolarHBondContact O-N 3.08Å |
| 147 | V | 98.7 | Very high | 98.4 | Very high | 72 Ų | 72 | 97.4 Ų | 97.4 | 44% | 0.436 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 174.9 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | L143 R144 T145 D149 M150 E151 | L143-V147 WeakPolarHBondContact O-CG2 3.35Å; L143-V147 PolarHBondContact O-N 3.03Å; R144-V147 PolarHBondContact O-N 3.33Å; T145-V147 VanDerWaalsContact C-N 3.34Å; T145-V147 PolarHBondContact O-N 3.49Å; V147-D149 VanDerWaalsContact C-N 3.34Å; V147-D149 PolarHBondContact O-N 3.46Å; V147-M150 PolarHBondContact O-N 3.32Å; V147-E151 HydrophobicContact CG1-CG 4.25Å; V147-E151 WeakPolarHBondContact CG1-OE1 3.4Å; V147-E151 WeakPolarHBondContact O-CB 3.4Å; V147-E151 WeakPolarHBondContact O-CG 3.37Å; V147-E151 PolarHBondContact O-N 3.23Å |
| 148 | A | 98.6 | Very high | 98.4 | Very high | 48 Ų | 48 | 98.7 Ų | 98.7 | 40% | 0.397 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.8 | -41 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R144 T145 M150 E151 A152 | R144-A148 WeakPolarHBondContact O-CB 3.29Å; R144-A148 PolarHBondContact O-N 2.93Å; T145-A148 PolarHBondContact O-N 2.9Å; A148-M150 VanDerWaalsContact C-N 3.34Å; A148-M150 PolarHBondContact O-N 2.92Å; A148-E151 PolarHBondContact O-N 3.02Å; A148-A152 WeakPolarHBondContact O-CB 3.33Å; A148-A152 PolarHBondContact O-N 3.47Å |
| 149 | D | 98.6 | Very high | 98.4 | Very high | 94 Ų | 94 | 98.1 Ų | 98.1 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -40 | 175.8 | -71 | -18 | 0 | 0 | 0 | 111.8 | T145 H146 V147 K153 | T145-D149 VanDerWaalsContact O-CG 3.27Å; T145-D149 PolarHBondContact O-N 3.34Å; H146-D149 PolarHBondContact O-N 3.03Å; V147-D149 VanDerWaalsContact C-N 3.34Å; V147-D149 PolarHBondContact O-N 3.46Å; D149-K153 VanDerWaalsContact O-CG 3.31Å; D149-K153 WeakPolarHBondContact O-CG 3.41Å; D149-K153 PolarHBondContact O-N 2.97Å; D149-K153 VanDerWaalsContact O-N 3.1Å |
| 150 | M | 98.4 | Very high | 98.3 | Very high | 57 Ų | 57 | 99.3 Ų | 99.3 | 28% | 0.281 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.9 | -44 | 176.1 | -72.2 | -63.4 | -64.4 | 0 | 0 | 111.3 | H146 V147 A148 A152 K153 Y154 | H146-M150 WeakPolarHBondContact O-CB 3.49Å; H146-M150 VanDerWaalsContact O-CG 3.25Å; H146-M150 WeakPolarHBondContact O-CG 3.46Å; H146-M150 PolarHBondContact O-N 3.08Å; V147-M150 PolarHBondContact O-N 3.32Å; A148-M150 VanDerWaalsContact C-N 3.34Å; A148-M150 PolarHBondContact O-N 2.92Å; M150-A152 PolarHBondContact O-N 3.4Å; M150-K153 PolarHBondContact O-N 3.4Å; M150-Y154 HydrophobicContact CB-CE2 4.24Å; M150-Y154 HydrophobicContact CE-CE2 3.84Å; M150-Y154 WeakPolarHBondContact CE-OH 3.42Å; M150-Y154 WeakPolarHBondContact O-CD2 3.26Å; M150-Y154 PolarHBondContact O-N 2.87Å |
| 151 | E | 98.4 | Very high | 98.3 | Very high | 120 Ų | 120 | 98.1 Ų | 98.1 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -57.6 | -47.4 | 174.6 | -74.7 | 173.9 | 170.4 | 0 | 0 | 111.2 | V147 A148 K153 Y154 E155 | V147-E151 HydrophobicContact CG1-CG 4.25Å; V147-E151 WeakPolarHBondContact CG1-OE1 3.4Å; V147-E151 WeakPolarHBondContact O-CB 3.4Å; V147-E151 WeakPolarHBondContact O-CG 3.37Å; V147-E151 PolarHBondContact O-N 3.23Å; A148-E151 PolarHBondContact O-N 3.02Å; E151-K153 PolarHBondContact O-N 3.16Å; E151-Y154 PolarHBondContact O-N 3.06Å; E151-E155 WeakPolarHBondContact O-CB 3.49Å; E151-E155 PolarHBondContact O-N 3.12Å |
| 152 | A | 98.5 | Very high | 98.3 | Very high | 56 Ų | 56 | 100 Ų | 100 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A148 M150 E155 E156 | A148-A152 WeakPolarHBondContact O-CB 3.33Å; A148-A152 PolarHBondContact O-N 3.47Å; M150-A152 PolarHBondContact O-N 3.4Å; A152-E155 PolarHBondContact O-N 3.02Å; A152-E156 WeakPolarHBondContact O-CB 3.49Å; A152-E156 PolarHBondContact O-N 3.49Å |
| 153 | K | 98.3 | Very high | 98.2 | Very high | 118 Ų | 118 | 98.5 Ų | 98.5 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -41 | 175.4 | -73.8 | 171.5 | -173.8 | 170.5 | 0 | 112.3 | D149 M150 E151 E155 E156 I157 | D149-K153 VanDerWaalsContact O-CG 3.31Å; D149-K153 WeakPolarHBondContact O-CG 3.41Å; D149-K153 PolarHBondContact O-N 2.97Å; D149-K153 VanDerWaalsContact O-N 3.1Å; M150-K153 PolarHBondContact O-N 3.4Å; E151-K153 PolarHBondContact O-N 3.16Å; K153-E155 VanDerWaalsContact C-N 3.34Å; K153-E156 PolarHBondContact O-N 3.46Å; K153-I157 VanDerWaalsContact O-CG1 3.27Å; K153-I157 WeakPolarHBondContact O-CG1 3.48Å; K153-I157 PolarHBondContact O-N 3.43Å |
| 154 | Y | 97.8 | Very high | 98.2 | Very high | 142 Ų | 142 | 100.7 Ų | 100.7 | 56% | 0.557 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65 | -41.2 | 176.3 | -72.3 | -52.5 | 0 | 0 | 0 | 111.3 | M150 E151 I157 L158 | M150-Y154 HydrophobicContact CB-CE2 4.24Å; M150-Y154 HydrophobicContact CE-CE2 3.84Å; M150-Y154 WeakPolarHBondContact CE-OH 3.42Å; M150-Y154 WeakPolarHBondContact O-CD2 3.26Å; M150-Y154 PolarHBondContact O-N 2.87Å; E151-Y154 PolarHBondContact O-N 3.06Å; Y154-I157 PolarHBondContact O-N 2.96Å; Y154-L158 WeakPolarHBondContact O-CB 3.48Å; Y154-L158 VanDerWaalsContact O-CG 3.26Å; Y154-L158 WeakPolarHBondContact O-CG 3.29Å; Y154-L158 PolarHBondContact O-N 3.34Å |
| 155 | E | 98.2 | Very high | 98.1 | Very high | 114 Ų | 114 | 96.9 Ų | 96.9 | 53% | 0.533 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 175.5 | -171.9 | 170.9 | -170.1 | 0 | 0 | 111.8 | E151 A152 K153 L158 Q159 | E151-E155 WeakPolarHBondContact O-CB 3.49Å; E151-E155 PolarHBondContact O-N 3.12Å; A152-E155 PolarHBondContact O-N 3.02Å; K153-E155 VanDerWaalsContact C-N 3.34Å; E155-L158 PolarHBondContact O-N 2.94Å; E155-Q159 HydrophobicContact CG-CG 4.38Å; E155-Q159 WeakPolarHBondContact O-CB 3.34Å; E155-Q159 VanDerWaalsContact O-CG 3.3Å; E155-Q159 WeakPolarHBondContact O-CG 3.46Å; E155-Q159 PolarHBondContact O-N 3.42Å; E155-Q159 PolarHBondContact OE1-NE2 2.87Å |
| 156 | E | 98.3 | Very high | 98.1 | Very high | 122 Ų | 122 | 96.6 Ų | 96.6 | 57% | 0.57 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -56.6 | -52.8 | 175 | -176.5 | -176.8 | -172.7 | 0 | 0 | 111.1 | A152 K153 L158 Q159 D160 | A152-E156 WeakPolarHBondContact O-CB 3.49Å; A152-E156 PolarHBondContact O-N 3.49Å; K153-E156 PolarHBondContact O-N 3.46Å; E156-L158 VanDerWaalsContact C-N 3.28Å; E156-L158 PolarHBondContact O-N 3.24Å; E156-Q159 PolarHBondContact O-N 3.24Å; E156-D160 WeakPolarHBondContact O-CB 3.33Å; E156-D160 PolarHBondContact O-N 3.31Å |
| 157 | I | 97.9 | Very high | 98 | Very high | 110 Ų | 110 | 93.8 Ų | 93.8 | 56% | 0.564 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -58.7 | -41.7 | 179.4 | -67.6 | 165.6 | 0 | 0 | 0 | 111.2 | K153 Y154 S161 | K153-I157 VanDerWaalsContact O-CG1 3.27Å; K153-I157 WeakPolarHBondContact O-CG1 3.48Å; K153-I157 PolarHBondContact O-N 3.43Å; Y154-I157 PolarHBondContact O-N 2.96Å; I157-S161 WeakPolarHBondContact O-CB 3.23Å; I157-S161 PolarHBondContact O-N 3.42Å; I157-S161 PolarHBondContact O-OG 3.46Å |
| 158 | L | 97.9 | Very high | 98 | Very high | 108 Ų | 108 | 97 Ų | 97 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.8 | -49.2 | 177.7 | -76.6 | 169.4 | 0 | 0 | 0 | 111.2 | Y154 E155 E156 D160 S161 L162 | Y154-L158 WeakPolarHBondContact O-CB 3.48Å; Y154-L158 VanDerWaalsContact O-CG 3.26Å; Y154-L158 WeakPolarHBondContact O-CG 3.29Å; Y154-L158 PolarHBondContact O-N 3.34Å; E155-L158 PolarHBondContact O-N 2.94Å; E156-L158 VanDerWaalsContact C-N 3.28Å; E156-L158 PolarHBondContact O-N 3.24Å; L158-D160 PolarHBondContact O-N 2.87Å; L158-S161 PolarHBondContact O-N 2.93Å; L158-S161 PolarHBondContact O-OG 2.91Å; L158-L162 WeakPolarHBondContact O-CG 3.33Å; L158-L162 PolarHBondContact O-N 3.26Å |
| 159 | Q | 98.1 | Very high | 97.9 | Very high | 103 Ų | 103 | 100.2 Ų | 100.2 | 48% | 0.481 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.6 | -48.6 | 177.1 | -71.8 | 176.4 | 4.9 | 0 | 0 | 111.1 | E155 E156 S161 L162 D163 | E155-Q159 HydrophobicContact CG-CG 4.38Å; E155-Q159 WeakPolarHBondContact O-CB 3.34Å; E155-Q159 VanDerWaalsContact O-CG 3.3Å; E155-Q159 WeakPolarHBondContact O-CG 3.46Å; E155-Q159 PolarHBondContact O-N 3.42Å; E155-Q159 PolarHBondContact OE1-NE2 2.87Å; E156-Q159 PolarHBondContact O-N 3.24Å; Q159-S161 VanDerWaalsContact C-N 3.28Å; Q159-S161 PolarHBondContact O-N 3.36Å; Q159-L162 PolarHBondContact O-N 2.88Å; Q159-L162 VanDerWaalsContact O-N 3.15Å; Q159-D163 WeakPolarHBondContact O-CB 3.45Å; Q159-D163 PolarHBondContact O-N 3.21Å |
| 160 | D | 97.9 | Very high | 97.8 | Very high | 69 Ų | 69 | 103.8 Ų | 103.8 | 37% | 0.369 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -56 | -42.5 | 176.9 | -117.1 | 36.6 | 0 | 0 | 0 | 112.3 | E156 L158 R164 | E156-D160 WeakPolarHBondContact O-CB 3.33Å; E156-D160 PolarHBondContact O-N 3.31Å; L158-D160 PolarHBondContact O-N 2.87Å; D160-R164 WeakPolarHBondContact O-CB 3.48Å; D160-R164 WeakPolarHBondContact O-CG 3.37Å; D160-R164 PolarHBondContact O-N 2.91Å; D160-R164 IonicContact OD2-CZ 3.91Å; D160-R164 IonicContact OD2-NE 2.92Å; D160-R164 IonicContact OD2-NH2 3.8Å; D160-R164 PolarHBondContact OD2-NH2 3.3Å |
| 161 | S | 97.5 | Very high | 97.7 | Very high | 50 Ų | 50 | 103.4 Ų | 103.4 | 35% | 0.35 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.4 | -41.9 | 179.5 | 77.2 | 0 | 0 | 0 | 0 | 111.9 | I157 L158 Q159 R164 L165 | I157-S161 WeakPolarHBondContact O-CB 3.23Å; I157-S161 PolarHBondContact O-N 3.42Å; I157-S161 PolarHBondContact O-OG 3.46Å; L158-S161 PolarHBondContact O-N 2.93Å; L158-S161 PolarHBondContact O-OG 2.91Å; Q159-S161 VanDerWaalsContact C-N 3.28Å; Q159-S161 PolarHBondContact O-N 3.36Å; S161-R164 PolarHBondContact O-N 3.5Å; S161-L165 WeakPolarHBondContact O-CG 3.35Å; S161-L165 PolarHBondContact O-N 2.96Å |
| 162 | L | 98.1 | Very high | 97.6 | Very high | 102 Ų | 102 | 101.8 Ų | 101.8 | 53% | 0.534 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 177.3 | -71.3 | 172.2 | 0 | 0 | 0 | 110.9 | L158 Q159 R164 L165 L166 | L158-L162 WeakPolarHBondContact O-CG 3.33Å; L158-L162 PolarHBondContact O-N 3.26Å; Q159-L162 PolarHBondContact O-N 2.88Å; Q159-L162 VanDerWaalsContact O-N 3.15Å; L162-R164 PolarHBondContact O-N 3.23Å; L162-L165 WeakPolarHBondContact O-CB 3.41Å; L162-L165 PolarHBondContact O-N 2.92Å; L162-L166 WeakPolarHBondContact O-CB 3.48Å; L162-L166 WeakPolarHBondContact O-CG 3.46Å; L162-L166 PolarHBondContact O-N 2.63Å |
| 163 | D | 97.9 | Very high | 97.5 | Very high | 99 Ų | 99 | 105.7 Ų | 105.7 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 177 | -80 | -20.5 | 0 | 0 | 0 | 112.1 | Q159 L165 L166 A167 | Q159-D163 WeakPolarHBondContact O-CB 3.45Å; Q159-D163 PolarHBondContact O-N 3.21Å; D163-L165 VanDerWaalsContact C-N 3.34Å; D163-L165 PolarHBondContact O-N 3.49Å; D163-L166 PolarHBondContact O-N 3.49Å; D163-A167 WeakPolarHBondContact O-CB 3.28Å; D163-A167 PolarHBondContact O-N 3.35Å |
| 164 | R | 97.6 | Very high | 97.3 | Very high | 159 Ų | 159 | 104 Ų | 104 | 60% | 0.6 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62 | -41 | 172.8 | -73.1 | 171.2 | -154.2 | -128.4 | 5.8 | 111.9 | D160 S161 L162 A167 K168 | D160-R164 WeakPolarHBondContact O-CB 3.48Å; D160-R164 WeakPolarHBondContact O-CG 3.37Å; D160-R164 PolarHBondContact O-N 2.91Å; D160-R164 IonicContact OD2-CZ 3.91Å; D160-R164 IonicContact OD2-NE 2.92Å; D160-R164 IonicContact OD2-NH2 3.8Å; D160-R164 PolarHBondContact OD2-NH2 3.3Å; S161-R164 PolarHBondContact O-N 3.5Å; L162-R164 PolarHBondContact O-N 3.23Å; R164-A167 PolarHBondContact O-N 3.41Å; R164-K168 WeakPolarHBondContact O-CG 3.4Å; R164-K168 PolarHBondContact O-N 2.84Å |
| 165 | L | 97.4 | Very high | 97.2 | Very high | 98 Ų | 98 | 103.4 Ų | 103.4 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.5 | -44.3 | 175.4 | -74.5 | 170.2 | 0 | 0 | 0 | 111.4 | S161 L162 D163 A167 K168 L169 | S161-L165 WeakPolarHBondContact O-CG 3.35Å; S161-L165 PolarHBondContact O-N 2.96Å; L162-L165 WeakPolarHBondContact O-CB 3.41Å; L162-L165 PolarHBondContact O-N 2.92Å; D163-L165 VanDerWaalsContact C-N 3.34Å; D163-L165 PolarHBondContact O-N 3.49Å; L165-A167 PolarHBondContact O-N 3.26Å; L165-K168 PolarHBondContact O-N 3.33Å; L165-L169 PolarHBondContact O-N 2.94Å |
| 166 | L | 97.6 | Very high | 97.1 | Very high | 77 Ų | 77 | 106.5 Ų | 106.5 | 40% | 0.403 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 175.9 | -74.5 | 175.2 | 0 | 0 | 0 | 112 | L162 D163 L169 R170 | L162-L166 WeakPolarHBondContact O-CB 3.48Å; L162-L166 WeakPolarHBondContact O-CG 3.46Å; L162-L166 PolarHBondContact O-N 2.63Å; D163-L166 PolarHBondContact O-N 3.49Å; L166-L169 PolarHBondContact O-N 2.88Å; L166-R170 WeakPolarHBondContact O-CG 3.33Å; L166-R170 PolarHBondContact O-N 3.45Å |
| 167 | A | 97.3 | Very high | 96.9 | Very high | 52 Ų | 52 | 105 Ų | 105 | 43% | 0.43 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D163 R164 L165 R170 A171 | D163-A167 WeakPolarHBondContact O-CB 3.28Å; D163-A167 PolarHBondContact O-N 3.35Å; R164-A167 PolarHBondContact O-N 3.41Å; L165-A167 PolarHBondContact O-N 3.26Å; A167-R170 PolarHBondContact O-N 2.91Å; A167-A171 WeakPolarHBondContact O-CB 3.48Å; A167-A171 PolarHBondContact O-N 2.99Å |
| 168 | K | 97.3 | Very high | 96.7 | Very high | 138 Ų | 138 | 100.9 Ų | 100.9 | 60% | 0.6 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.4 | -45.7 | 174.2 | -74.1 | 176.8 | -179.1 | -179.3 | 0 | 111.8 | R164 L165 A171 I172 | R164-K168 WeakPolarHBondContact O-CG 3.4Å; R164-K168 PolarHBondContact O-N 2.84Å; L165-K168 PolarHBondContact O-N 3.33Å; K168-A171 PolarHBondContact O-N 2.83Å; K168-I172 WeakPolarHBondContact O-CG1 3.16Å; K168-I172 PolarHBondContact O-N 3.13Å |
| 169 | L | 96.9 | Very high | 96.5 | Very high | 116 Ų | 116 | 98.6 Ų | 98.6 | 61% | 0.607 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.4 | -45.8 | 175.9 | -95 | 155.7 | 0 | 0 | 0 | 112.1 | L165 L166 I172 K173 | L165-L169 PolarHBondContact O-N 2.94Å; L166-L169 PolarHBondContact O-N 2.88Å; L169-I172 PolarHBondContact O-N 3.31Å; L169-K173 WeakPolarHBondContact O-CB 3.44Å; L169-K173 PolarHBondContact O-N 3.31Å |
| 170 | R | 96.7 | Very high | 96.2 | Very high | 170 Ų | 170 | 96.1 Ų | 96.1 | 64% | 0.642 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.1 | -42.9 | 176 | -72.2 | 176.1 | -171.4 | 153.4 | 4 | 111.7 | L166 A167 K173 S174 | L166-R170 WeakPolarHBondContact O-CG 3.33Å; L166-R170 PolarHBondContact O-N 3.45Å; A167-R170 PolarHBondContact O-N 2.91Å; R170-K173 PolarHBondContact O-N 2.89Å; R170-S174 PolarHBondContact O-N 2.94Å; R170-S174 PolarHBondContact O-OG 3.46Å |
| 171 | A | 96.5 | Very high | 95.9 | Very high | 48 Ų | 48 | 100.2 Ų | 100.2 | 40% | 0.397 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | A167 K168 S174 Q175 | A167-A171 WeakPolarHBondContact O-CB 3.48Å; A167-A171 PolarHBondContact O-N 2.99Å; K168-A171 PolarHBondContact O-N 2.83Å; A171-S174 PolarHBondContact O-N 3.17Å; A171-Q175 WeakPolarHBondContact O-CG 3.43Å; A171-Q175 PolarHBondContact O-N 2.97Å |
| 172 | I | 96.5 | Very high | 95.7 | Very high | 86 Ų | 86 | 105.3 Ų | 105.3 | 44% | 0.441 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 175.5 | -69.5 | 166.6 | 0 | 0 | 0 | 109.9 | K168 L169 S174 Q175 W176 | K168-I172 WeakPolarHBondContact O-CG1 3.16Å; K168-I172 PolarHBondContact O-N 3.13Å; L169-I172 PolarHBondContact O-N 3.31Å; I172-S174 PolarHBondContact O-N 3.05Å; I172-Q175 WeakPolarHBondContact O-CB 3.28Å; I172-Q175 PolarHBondContact O-N 3.34Å; I172-Q175 VanDerWaalsContact O-N 3.11Å; I172-W176 VanDerWaalsContact CG2-CD1 3.45Å; I172-W176 PolarHBondContact O-N 3.05Å |
| 173 | K | 96.1 | Very high | 95.5 | Very high | 138 Ų | 138 | 104.6 Ų | 104.6 | 60% | 0.6 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -55.8 | -49 | 177.2 | -176 | 177.8 | 178.6 | 179.8 | 0 | 111.8 | L169 R170 Q175 W176 D177 | L169-K173 WeakPolarHBondContact O-CB 3.44Å; L169-K173 PolarHBondContact O-N 3.31Å; R170-K173 PolarHBondContact O-N 2.89Å; K173-Q175 VanDerWaalsContact C-N 3.3Å; K173-Q175 PolarHBondContact O-N 2.88Å; K173-W176 PolarHBondContact O-N 2.9Å; K173-D177 PolarHBondContact O-N 2.9Å |
| 174 | S | 94.8 | Very high | 95.1 | Very high | 82 Ų | 82 | 106.5 Ų | 106.5 | 57% | 0.573 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.5 | -36.1 | 177 | -62.3 | 0 | 0 | 0 | 0 | 113 | R170 A171 I172 G178 | R170-S174 PolarHBondContact O-N 2.94Å; R170-S174 PolarHBondContact O-OG 3.46Å; A171-S174 PolarHBondContact O-N 3.17Å; I172-S174 PolarHBondContact O-N 3.05Å; S174-G178 PolarHBondContact O-N 3.4Å |
| 175 | Q | 95.2 | Very high | 94.7 | Very high | 130 Ų | 130 | 101.1 Ų | 101.1 | 61% | 0.607 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64 | -46.6 | 173.8 | -72.5 | 174.4 | 1.8 | 0 | 0 | 111.4 | A171 I172 K173 G178 T179 | A171-Q175 WeakPolarHBondContact O-CG 3.43Å; A171-Q175 PolarHBondContact O-N 2.97Å; I172-Q175 WeakPolarHBondContact O-CB 3.28Å; I172-Q175 PolarHBondContact O-N 3.34Å; I172-Q175 VanDerWaalsContact O-N 3.11Å; K173-Q175 VanDerWaalsContact C-N 3.3Å; K173-Q175 PolarHBondContact O-N 2.88Å; Q175-G178 PolarHBondContact O-N 3.14Å; Q175-T179 WeakPolarHBondContact O-CG2 3.49Å; Q175-T179 PolarHBondContact O-N 3.03Å; Q175-T179 PolarHBondContact O-OG1 2.99Å |
| 176 | W | 95.4 | Very high | 94.4 | Very high | 179 Ų | 179 | 104.6 Ų | 104.6 | 68% | 0.678 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.3 | -50.2 | 175.5 | -80.3 | 103.7 | 0 | 0 | 0 | 111.7 | I172 K173 G178 T179 A180 | I172-W176 VanDerWaalsContact CG2-CD1 3.45Å; I172-W176 PolarHBondContact O-N 3.05Å; K173-W176 PolarHBondContact O-N 2.9Å; W176-G178 VanDerWaalsContact C-N 3.28Å; W176-G178 PolarHBondContact O-N 2.9Å; W176-T179 WeakPolarHBondContact CA-OG1 3.46Å; W176-T179 PolarHBondContact O-N 3.31Å; W176-T179 VanDerWaalsContact O-N 3.09Å; W176-T179 PolarHBondContact O-OG1 3.03Å; W176-A180 WeakPolarHBondContact O-CB 3.29Å; W176-A180 PolarHBondContact O-N 2.93Å |
| 177 | D | 95.2 | Very high | 93.9 | Very high | 92 Ų | 92 | 105.1 Ų | 105.1 | 49% | 0.492 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.3 | -42.5 | 178.3 | -69.5 | -22.5 | 0 | 0 | 0 | 111 | K173 A180 F181 | K173-D177 PolarHBondContact O-N 2.9Å; D177-A180 PolarHBondContact O-N 3.24Å; D177-F181 WeakPolarHBondContact O-CB 3.38Å; D177-F181 PolarHBondContact O-N 2.93Å |
| 178 | G | 93.3 | Very high | 93.4 | Very high | 23 Ų | 23 | 108.6 Ų | 108.6 | 24% | 0.237 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S174 Q175 W176 R182 | S174-G178 PolarHBondContact O-N 3.4Å; Q175-G178 PolarHBondContact O-N 3.14Å; W176-G178 VanDerWaalsContact C-N 3.28Å; W176-G178 PolarHBondContact O-N 2.9Å; G178-R182 WeakPolarHBondContact O-CB 3.27Å; G178-R182 WeakPolarHBondContact O-CG 3.46Å; G178-R182 PolarHBondContact O-N 3.37Å; G178-R182 PolarHBondContact O-NH1 3.31Å |
| 179 | T | 93.9 | Very high | 92.8 | Very high | 59 Ų | 59 | 106 Ų | 106 | 36% | 0.362 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 174.6 | 57.5 | 0 | 0 | 0 | 0 | 111.9 | Q175 W176 R182 L183 | Q175-T179 WeakPolarHBondContact O-CG2 3.49Å; Q175-T179 PolarHBondContact O-N 3.03Å; Q175-T179 PolarHBondContact O-OG1 2.99Å; W176-T179 WeakPolarHBondContact CA-OG1 3.46Å; W176-T179 PolarHBondContact O-N 3.31Å; W176-T179 VanDerWaalsContact O-N 3.09Å; W176-T179 PolarHBondContact O-OG1 3.03Å; T179-R182 PolarHBondContact O-N 3.2Å; T179-L183 WeakPolarHBondContact O-CB 3.43Å; T179-L183 PolarHBondContact O-N 3.45Å |
| 180 | A | 91.3 | Very high | 92.3 | Very high | 51 Ų | 51 | 104 Ų | 104 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | W176 D177 L183 H184 | W176-A180 WeakPolarHBondContact O-CB 3.29Å; W176-A180 PolarHBondContact O-N 2.93Å; D177-A180 PolarHBondContact O-N 3.24Å; A180-L183 PolarHBondContact O-N 3.02Å; A180-H184 WeakPolarHBondContact O-CB 3.28Å; A180-H184 PolarHBondContact O-N 2.94Å |
| 181 | F | 92.3 | Very high | 91.7 | Very high | 156 Ų | 156 | 100 Ų | 100 | 68% | 0.684 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.3 | -45.7 | 175.5 | -172 | -94.8 | 0 | 0 | 0 | 112.1 | D177 L183 H184 A185 | D177-F181 WeakPolarHBondContact O-CB 3.38Å; D177-F181 PolarHBondContact O-N 2.93Å; F181-L183 VanDerWaalsContact C-N 3.34Å; F181-L183 PolarHBondContact O-N 3.48Å; F181-H184 PolarHBondContact O-N 2.99Å; F181-A185 WeakPolarHBondContact O-CB 3.44Å; F181-A185 PolarHBondContact O-N 3.44Å |
| 182 | R | 93.6 | Very high | 90.9 | Very high | 156 Ų | 156 | 103.9 Ų | 103.9 | 59% | 0.589 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.6 | -42.6 | 175.3 | -75.8 | -169.1 | -59.9 | -86.1 | 5.8 | 112 | G178 T179 A185 R186 | G178-R182 WeakPolarHBondContact O-CB 3.27Å; G178-R182 WeakPolarHBondContact O-CG 3.46Å; G178-R182 PolarHBondContact O-N 3.37Å; G178-R182 PolarHBondContact O-NH1 3.31Å; T179-R182 PolarHBondContact O-N 3.2Å; R182-A185 PolarHBondContact O-N 2.91Å; R182-R186 WeakPolarHBondContact O-CB 3.22Å; R182-R186 PolarHBondContact O-N 2.85Å |
| 183 | L | 92.1 | Very high | 90.1 | Very high | 87 Ų | 87 | 106.5 Ų | 106.5 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -48 | 176.1 | -175.2 | 72.2 | 0 | 0 | 0 | 111.1 | T179 A180 F181 A185 R186 H187 | T179-L183 WeakPolarHBondContact O-CB 3.43Å; T179-L183 PolarHBondContact O-N 3.45Å; A180-L183 PolarHBondContact O-N 3.02Å; F181-L183 VanDerWaalsContact C-N 3.34Å; F181-L183 PolarHBondContact O-N 3.48Å; L183-A185 PolarHBondContact O-N 3Å; L183-R186 PolarHBondContact O-N 3.31Å; L183-H187 PolarHBondContact O-N 3.44Å |
| 184 | H | 90.1 | Very high | 89.2 | Confident | 139 Ų | 139 | 107.5 Ų | 107.5 | 64% | 0.644 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.7 | -45 | 175 | -96.4 | 44.6 | 0 | 0 | 0 | 112.3 | A180 F181 R186 H187 K188 | A180-H184 WeakPolarHBondContact O-CB 3.28Å; A180-H184 PolarHBondContact O-N 2.94Å; F181-H184 PolarHBondContact O-N 2.99Å; H184-R186 VanDerWaalsContact C-N 3.35Å; H184-R186 PolarHBondContact O-N 2.91Å; H184-H187 PolarHBondContact O-N 3.36Å; H184-K188 VanDerWaalsContact O-CB 3.28Å; H184-K188 WeakPolarHBondContact O-CB 3.49Å; H184-K188 PolarHBondContact O-N 3.32Å |
| 185 | A | 89.9 | Confident | 87.9 | Confident | 47 Ų | 47 | 106.4 Ų | 106.4 | 39% | 0.388 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F181 R182 L183 K188 E189 | F181-A185 WeakPolarHBondContact O-CB 3.44Å; F181-A185 PolarHBondContact O-N 3.44Å; R182-A185 PolarHBondContact O-N 2.91Å; L183-A185 PolarHBondContact O-N 3Å; A185-K188 PolarHBondContact O-N 3.41Å; A185-E189 WeakPolarHBondContact O-CB 3.43Å; A185-E189 PolarHBondContact O-N 2.88Å |
| 186 | R | 89.9 | Confident | 86.5 | Confident | 170 Ų | 170 | 105.9 Ų | 105.9 | 64% | 0.642 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61 | -48.9 | 176 | -173.3 | -178.3 | -179.6 | -173.6 | 0.8 | 111.8 | R182 L183 H184 K188 E189 Q190 | R182-R186 WeakPolarHBondContact O-CB 3.22Å; R182-R186 PolarHBondContact O-N 2.85Å; L183-R186 PolarHBondContact O-N 3.31Å; H184-R186 VanDerWaalsContact C-N 3.35Å; H184-R186 PolarHBondContact O-N 2.91Å; R186-K188 VanDerWaalsContact C-N 3.31Å; R186-K188 PolarHBondContact O-N 3.28Å; R186-E189 PolarHBondContact O-N 3.3Å; R186-Q190 WeakPolarHBondContact O-CG 3.49Å; R186-Q190 PolarHBondContact O-N 2.97Å |
| 187 | H | 87.2 | Confident | 84.5 | Confident | 88 Ų | 88 | 101.1 Ų | 101.1 | 41% | 0.407 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 176.7 | -67.4 | 160.7 | 0 | 0 | 0 | 111.8 | L183 H184 E189 Q190 L191 | L183-H187 PolarHBondContact O-N 3.44Å; H184-H187 PolarHBondContact O-N 3.36Å; H187-E189 VanDerWaalsContact C-N 3.33Å; H187-E189 PolarHBondContact O-N 3.02Å; H187-Q190 PolarHBondContact CD2-OE1 3.44Å; H187-Q190 PolarHBondContact O-N 3.19Å; H187-L191 WeakPolarHBondContact O-CG 3.49Å; H187-L191 PolarHBondContact O-N 2.99Å |
| 188 | K | 87.9 | Confident | 82.7 | Confident | 126 Ų | 126 | 102.3 Ų | 102.3 | 55% | 0.548 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 176.9 | -166.9 | 176.6 | -174.8 | 176.6 | 0 | 112 | H184 A185 R186 L191 R192 | H184-K188 VanDerWaalsContact O-CB 3.28Å; H184-K188 WeakPolarHBondContact O-CB 3.49Å; H184-K188 PolarHBondContact O-N 3.32Å; A185-K188 PolarHBondContact O-N 3.41Å; R186-K188 VanDerWaalsContact C-N 3.31Å; R186-K188 PolarHBondContact O-N 3.28Å; K188-L191 PolarHBondContact O-N 3.36Å; K188-R192 WeakPolarHBondContact O-CG 3.31Å; K188-R192 PolarHBondContact O-N 3.24Å; K188-R192 VanDerWaalsContact O-N 3.14Å |
| 189 | E | 84.6 | Confident | 80.7 | Confident | 84 Ų | 84 | 104.8 Ų | 104.8 | 39% | 0.393 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.9 | -41.1 | 176.1 | -168 | 57.5 | -148.6 | 0 | 0 | 111.9 | A185 R186 H187 L191 R192 Q193 | A185-E189 WeakPolarHBondContact O-CB 3.43Å; A185-E189 PolarHBondContact O-N 2.88Å; R186-E189 PolarHBondContact O-N 3.3Å; H187-E189 VanDerWaalsContact C-N 3.33Å; H187-E189 PolarHBondContact O-N 3.02Å; E189-L191 VanDerWaalsContact C-N 3.33Å; E189-L191 PolarHBondContact O-N 2.88Å; E189-R192 WeakPolarHBondContact O-CB 3.28Å; E189-R192 PolarHBondContact O-N 3.33Å; E189-R192 VanDerWaalsContact O-N 3.14Å; E189-R192 WeakPolarHBondContact OE2-CD 3.23Å; E189-R192 IonicContact OE2-CZ 3.55Å; E189-R192 IonicContact OE2-NH1 3.31Å; E189-R192 PolarHBondContact OE2-NH1 2.97Å; E189-Q193 WeakPolarHBondContact O-CG 3.33Å; E189-Q193 PolarHBondContact O-N 3.08Å |
| 190 | Q | 85.4 | Confident | 78.4 | Confident | 72 Ų | 72 | 106.2 Ų | 106.2 | 34% | 0.336 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -58.5 | -45.2 | 172.4 | -72.4 | 173.3 | -53.7 | 0 | 0 | 111.3 | R186 H187 R192 Q193 F194 | R186-Q190 WeakPolarHBondContact O-CG 3.49Å; R186-Q190 PolarHBondContact O-N 2.97Å; H187-Q190 PolarHBondContact CD2-OE1 3.44Å; H187-Q190 PolarHBondContact O-N 3.19Å; Q190-R192 VanDerWaalsContact C-N 3.28Å; Q190-R192 PolarHBondContact O-N 3.03Å; Q190-Q193 WeakPolarHBondContact O-CB 3.44Å; Q190-Q193 PolarHBondContact O-N 3.4Å; Q190-F194 WeakPolarHBondContact O-CD2 3.19Å; Q190-F194 PolarHBondContact O-N 3.11Å; Q190-F194 VanDerWaalsContact O-N 3.11Å |
| 191 | L | 84.4 | Confident | 76.4 | Confident | 88 Ų | 88 | 112 Ų | 112 | 46% | 0.461 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59.3 | -37.2 | 175.5 | -72.9 | 169.1 | 0 | 0 | 0 | 112.7 | H187 K188 E189 F194 G195 L196 | H187-L191 WeakPolarHBondContact O-CG 3.49Å; H187-L191 PolarHBondContact O-N 2.99Å; K188-L191 PolarHBondContact O-N 3.36Å; E189-L191 VanDerWaalsContact C-N 3.33Å; E189-L191 PolarHBondContact O-N 2.88Å; L191-F194 CarbonylContact O-C 3.56Å; L191-F194 PolarHBondContact O-N 3.25Å; L191-G195 PolarHBondContact O-N 2.92Å; L191-L196 HydrophobicContact CD2-CD1 4.32Å; L191-L196 PolarHBondContact O-N 2.69Å |
| 192 | R | 79.4 | Confident | 74 | Confident | 128 Ų | 128 | 115.4 Ų | 115.4 | 48% | 0.483 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.8 | -41.3 | 172.7 | -71.9 | 172.7 | 172.1 | 167.8 | -7 | 112.4 | K188 E189 Q190 F194 G195 T197 | K188-R192 WeakPolarHBondContact O-CG 3.31Å; K188-R192 PolarHBondContact O-N 3.24Å; K188-R192 VanDerWaalsContact O-N 3.14Å; E189-R192 WeakPolarHBondContact O-CB 3.28Å; E189-R192 PolarHBondContact O-N 3.33Å; E189-R192 VanDerWaalsContact O-N 3.14Å; E189-R192 WeakPolarHBondContact OE2-CD 3.23Å; E189-R192 IonicContact OE2-CZ 3.55Å; E189-R192 IonicContact OE2-NH1 3.31Å; E189-R192 PolarHBondContact OE2-NH1 2.97Å; Q190-R192 VanDerWaalsContact C-N 3.28Å; Q190-R192 PolarHBondContact O-N 3.03Å; R192-F194 PolarHBondContact O-N 3.02Å; R192-G195 PolarHBondContact O-N 3.33Å; R192-T197 HydrophobicContact CG-CG2 3.87Å |
| 193 | Q | 80.4 | Confident | 72.2 | Confident | 142 Ų | 142 | 113 Ų | 113 | 66% | 0.664 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.1 | -29 | 175.9 | -67.4 | 172.2 | 1.3 | 0 | 0 | 112.2 | E189 Q190 G195 | E189-Q193 WeakPolarHBondContact O-CG 3.33Å; E189-Q193 PolarHBondContact O-N 3.08Å; Q190-Q193 WeakPolarHBondContact O-CB 3.44Å; Q190-Q193 PolarHBondContact O-N 3.4Å; Q193-G195 VanDerWaalsContact C-N 3.32Å |
| 194 | F | 76.4 | Confident | 70 | Confident | 159 Ų | 159 | 114.6 Ų | 114.6 | 70% | 0.697 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 8.5 | 172.4 | -65.5 | -68.5 | 0 | 0 | 0 | 114.2 | Q190 L191 R192 L196 | Q190-F194 WeakPolarHBondContact O-CD2 3.19Å; Q190-F194 PolarHBondContact O-N 3.11Å; Q190-F194 VanDerWaalsContact O-N 3.11Å; L191-F194 CarbonylContact O-C 3.56Å; L191-F194 PolarHBondContact O-N 3.25Å; R192-F194 PolarHBondContact O-N 3.02Å; F194-L196 VanDerWaalsContact C-N 3.35Å; F194-L196 PolarHBondContact O-N 3.28Å |
| 195 | G | 68.9 | Low | 68.1 | Low | 59 Ų | 59 | 112.2 Ų | 112.2 | 61% | 0.608 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.8 | 10.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L191 R192 Q193 | L191-G195 PolarHBondContact O-N 2.92Å; R192-G195 PolarHBondContact O-N 3.33Å; Q193-G195 VanDerWaalsContact C-N 3.32Å |
| 196 | L | 65.6 | Low | 66.2 | Low | 118 Ų | 118 | 116 Ų | 116 | 62% | 0.618 | 64% | 0.642 | S | S | * | * | trans | -102.9 | 80.5 | -176.7 | -64.6 | 168.7 | 0 | 0 | 0 | 110.3 | L191 F194 | L191-L196 HydrophobicContact CD2-CD1 4.32Å; L191-L196 PolarHBondContact O-N 2.69Å; F194-L196 VanDerWaalsContact C-N 3.35Å; F194-L196 PolarHBondContact O-N 3.28Å | ||
| 197 | T | 53.6 | Low | 64.2 | Low | 80 Ų | 80 | 113.4 Ų | 113.4 | 49% | 0.491 | 65% | 0.65 | S | S | . | * | trans | -86.7 | 128.9 | 169.8 | 26.9 | 0 | 0 | 0 | 0 | 111.1 | R192 G199 S200 | R192-T197 HydrophobicContact CG-CG2 3.87Å; T197-G199 PolarHBondContact O-N 2.86Å; T197-S200 WeakPolarHBondContact O-CB 3.44Å; T197-S200 PolarHBondContact O-N 3.24Å | ||
| 198 | A | 55.6 | Low | 62 | Low | 116 Ų | 116 | 121.1 Ų | 121.1 | 96% | 0.959 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 22.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 199 | G | 53 | Low | 60.7 | Low | 75 Ų | 75 | 120.9 Ų | 120.9 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120 | 1.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T197 | T197-G199 PolarHBondContact O-N 2.86Š|
| 200 | S | 44.4 | Very low | 59.5 | Low | 89 Ų | 89 | 122.8 Ų | 122.8 | 62% | 0.622 | 72% | 0.717 | S | S | * | * | trans | -88.5 | -1.3 | -175.6 | -177.8 | 0 | 0 | 0 | 0 | 114.6 | T197 R202 | T197-S200 WeakPolarHBondContact O-CB 3.44Å; T197-S200 PolarHBondContact O-N 3.24Å; S200-R202 PolarHBondContact O-N 3.12Å; S200-R202 VanDerWaalsContact O-N 3.07Å | ||
| 201 | L | 49.9 | Very low | 58 | Low | 173 Ų | 173 | 125.7 Ų | 125.7 | 91% | 0.906 | 74% | 0.738 | S | S | * | * | trans | -87.2 | 67.9 | 172.1 | -73.3 | 166 | 0 | 0 | 0 | 109.8 | P203 | L201-P203 WeakPolarHBondContact O-CD 3.41Š| ||
| 202 | R | 42 | Very low | 56.5 | Low | 228 Ų | 228 | 127.9 Ų | 127.9 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | trans | -76.6 | 115.8 | 153.4 | -173.7 | -179 | -170.4 | -176 | 3.3 | 106.1 | S200 | S200-R202 PolarHBondContact O-N 3.12Å; S200-R202 VanDerWaalsContact O-N 3.07Å | ||
| 203 | P | 55.3 | Low | 55 | Low | 105 Ų | 105 | 127.9 Ų | 127.9 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 142.7 | 171.8 | 26 | -26.6 | 0 | 0 | 0 | 108.8 | L201 | L201-P203 WeakPolarHBondContact O-CD 3.41Š|
| 204 | P | 45.2 | Very low | 53.4 | Low | 121 Ų | 121 | 126.9 Ų | 126.9 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 141.1 | 176 | 27.9 | -31.4 | 0 | 0 | 0 | 109.5 | ||
| 205 | A | 50.5 | Low | 51.7 | Low | 89 Ų | 89 | 124.6 Ų | 124.6 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 137.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 206 | P | 51.3 | Low | 50.4 | Low | 125 Ų | 125 | 129.7 Ų | 129.7 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 131 | 167.4 | 29.8 | -29 | 0 | 0 | 0 | 109.9 | L208 | P206-L208 PolarHBondContact O-N 3.35Š|
| 207 | S | 46.7 | Very low | 49.1 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -69 | 116.9 | 170.8 | -29 | 0 | 0 | 0 | 0 | 110.2 | ||
| 208 | L | 42 | Very low | 48.7 | Very low | 250 Ų | 250 | 135.3 Ų | 135.3 | 100% | 1.309 | 84% | 0.842 | S | S | * | * | trans | 177.4 | 0 | 133.6 | -94.4 | 164.2 | 0 | 0 | 0 | 109.6 | P206 | P206-L208 PolarHBondContact O-N 3.35Š|
Retrieved 208 of 208 residues in 312 ms
(Link to these results)