| 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 | 51.9 | Low | 50.1 | Low | 250 Ų | 250 | 166.5 Ų | 166.5 | 100% | 1.232 | 84% | 0.844 | S | S | * | * | 0 | 108.6 | 0 | -71.7 | 174.5 | 150.9 | 0 | 0 | 108.6 | |||||
| 2 | K | 52 | Low | 49.5 | Very low | 215 Ų | 215 | 167 Ų | 167 | 94% | 0.935 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 130.4 | 178.1 | -71.4 | 178.4 | 175.1 | 178.5 | 0 | 108.2 | ||
| 3 | R | 56.2 | Low | 49 | Very low | 245 Ų | 245 | 165.7 Ų | 165.7 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 137.6 | 170.4 | -78.9 | -172.8 | -76 | -169.4 | -3.3 | 109.5 | ||
| 4 | P | 46.3 | Very low | 49 | Very low | 124 Ų | 124 | 164.5 Ų | 164.5 | 81% | 0.805 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 146.7 | -179.8 | 34.4 | -31.8 | 0 | 0 | 0 | 111.4 | ||
| 5 | I | 51.7 | Low | 49.1 | Very low | 160 Ų | 160 | 164.6 Ų | 164.6 | 82% | 0.821 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 117.2 | 170.9 | -63.2 | 165.6 | 0 | 0 | 0 | 106.1 | ||
| 6 | S | 54.9 | Low | 48.7 | Very low | 101 Ų | 101 | 164.9 Ų | 164.9 | 71% | 0.706 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 127 | 173.8 | 55.7 | 0 | 0 | 0 | 0 | 110.1 | N8 | S6-N8 PolarHBondContact O-N 3.26Š|
| 7 | D | 44.6 | Very low | 48.6 | Very low | 159 Ų | 159 | 163.5 Ų | 163.5 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 122.1 | 179.2 | -65.9 | -50.1 | 0 | 0 | 0 | 112.2 | ||
| 8 | N | 52.5 | Low | 48.4 | Very low | 151 Ų | 151 | 161.4 Ų | 161.4 | 81% | 0.807 | 82% | 0.821 | S | S | * | * | trans | -94.1 | 113.9 | 169.1 | -84.3 | -9.6 | 0 | 0 | 0 | 110.1 | S6 | S6-N8 PolarHBondContact O-N 3.26Š| ||
| 9 | H | 47.4 | Very low | 48.1 | Very low | 179 Ų | 179 | 158.8 Ų | 158.8 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | trans | -45.9 | 126.3 | 169.3 | -132.9 | -91.4 | 0 | 0 | 0 | 112.5 | ||||
| 10 | I | 46.9 | Very low | 48.4 | Very low | 136 Ų | 136 | 156.1 Ų | 156.1 | 70% | 0.697 | 80% | 0.801 | S | S | * | * | trans | -102.8 | 111.1 | 167.8 | -59.6 | -177.6 | 0 | 0 | 0 | 108.2 | F12 | I10-F12 HydrophobicContact CG2-CD2 4.1Å; I10-F12 HydrophobicContact CG2-CE2 4.06Å | ||
| 11 | V | 46.3 | Very low | 48.6 | Very low | 111 Ų | 111 | 154.4 Ų | 154.4 | 67% | 0.673 | 80% | 0.798 | S | S | * | * | trans | -81.8 | 122 | 168 | 176.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 12 | F | 43.4 | Very low | 48.7 | Very low | 173 Ų | 173 | 145.8 Ų | 145.8 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | -93.3 | 100.2 | 174.1 | -95.9 | -89.2 | 0 | 0 | 0 | 109.7 | I10 | I10-F12 HydrophobicContact CG2-CD2 4.1Å; I10-F12 HydrophobicContact CG2-CE2 4.06Å | ||
| 13 | D | 43.7 | Very low | 48.9 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | trans | -91 | 110.2 | 160.7 | -96.4 | -39.9 | 0 | 0 | 0 | 109.1 | H15 | D13-H15 PolarHBondContact O-N 2.89Å; D13-H15 VanDerWaalsContact O-N 3.14Å | ||
| 14 | N | 48.6 | Very low | 49 | Very low | 149 Ų | 149 | 130.9 Ų | 130.9 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | trans | -79.5 | 87.3 | 176.6 | -94.1 | -20.2 | 0 | 0 | 0 | 110.4 | ||||
| 15 | H | 50.1 | Low | 50.1 | Low | 166 Ų | 166 | 130.9 Ų | 130.9 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | trans | -127.6 | 104.2 | 163.3 | -97.6 | -6.1 | 0 | 0 | 0 | 111 | D13 I17 | D13-H15 PolarHBondContact O-N 2.89Å; D13-H15 VanDerWaalsContact O-N 3.14Å; H15-I17 PolarHBondContact O-N 3.25Å | ||
| 16 | L | 43.2 | Very low | 51.5 | Low | 169 Ų | 169 | 126.8 Ų | 126.8 | 89% | 0.885 | 70% | 0.701 | S | S | * | * | trans | 31.1 | 86.5 | 154.2 | -79.8 | 119.6 | 0 | 0 | 0 | 117.3 | ||||
| 17 | I | 46.2 | Very low | 52.7 | Low | 141 Ų | 141 | 131 Ų | 131 | 72% | 0.723 | 70% | 0.701 | S | S | * | * | trans | -128.8 | 108 | 153.9 | -56.3 | -179.7 | 0 | 0 | 0 | 108 | H15 D19 | H15-I17 PolarHBondContact O-N 3.25Å; I17-D19 VanDerWaalsContact C-N 3.31Å; I17-D19 PolarHBondContact O-N 2.97Å | ||
| 18 | V | 45.9 | Very low | 54.5 | Low | 126 Ų | 126 | 127 Ų | 127 | 76% | 0.764 | 69% | 0.686 | S | S | * | * | trans | -69.7 | 89.5 | 168.2 | 161.1 | 0 | 0 | 0 | 0 | 107.6 | T20 | V18-T20 WeakPolarHBondContact CG1-OG1 3.44Å; V18-T20 PolarHBondContact O-N 3.19Å; V18-T20 PolarHBondContact O-OG1 2.91Å | ||
| 19 | D | 43 | Very low | 56.3 | Low | 113 Ų | 113 | 122.3 Ų | 122.3 | 60% | 0.604 | 67% | 0.665 | S | S | * | * | trans | -72.2 | 90.9 | 172.4 | -98.4 | -20.2 | 0 | 0 | 0 | 110 | I17 T21 | I17-D19 VanDerWaalsContact C-N 3.31Å; I17-D19 PolarHBondContact O-N 2.97Å; D19-T21 PolarHBondContact O-N 3.11Å; D19-T21 VanDerWaalsContact O-N 3.16Å | ||
| 20 | T | 54.1 | Low | 58.4 | Low | 103 Ų | 103 | 118.9 Ų | 118.9 | 63% | 0.632 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 0.2 | -179.7 | -58.6 | 0 | 0 | 0 | 0 | 113 | V18 | V18-T20 WeakPolarHBondContact CG1-OG1 3.44Å; V18-T20 PolarHBondContact O-N 3.19Å; V18-T20 PolarHBondContact O-OG1 2.91Å |
| 21 | T | 52.6 | Low | 60.6 | Low | 121 Ų | 121 | 115.9 Ų | 115.9 | 74% | 0.742 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | -7.5 | -170 | 55 | 0 | 0 | 0 | 0 | 115.3 | D19 | D19-T21 PolarHBondContact O-N 3.11Å; D19-T21 VanDerWaalsContact O-N 3.16Å |
| 22 | A | 52.6 | Low | 62.9 | Low | 70 Ų | 70 | 112.8 Ų | 112.8 | 58% | 0.579 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -106.6 | -14.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 23 | P | 56.6 | Low | 65.4 | Low | 60 Ų | 60 | 110 Ų | 110 | 39% | 0.39 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -85.5 | -8.8 | -175.3 | 32 | -32.9 | 0 | 0 | 0 | 114.6 | S26 | P23-S26 PolarHBondContact O-OG 3.2Å; P23-S26 VanDerWaalsContact O-OG 3.14Å |
| 24 | T | 59.5 | Low | 67.9 | Low | 87 Ų | 87 | 106 Ų | 106 | 53% | 0.534 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -77.7 | -36.2 | -175.7 | 57.7 | 0 | 0 | 0 | 0 | 112.1 | S28 | T24-S28 WeakPolarHBondContact O-CB 3.33Å; T24-S28 PolarHBondContact O-N 2.88Å; T24-S28 PolarHBondContact O-OG 3.38Å |
| 25 | N | 68.9 | Low | 70.2 | Confident | 124 Ų | 124 | 102.3 Ų | 102.3 | 66% | 0.663 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69.3 | -40.6 | -178.9 | -165.7 | 5.3 | 0 | 0 | 0 | 111.5 | S28 S29 | N25-S28 PolarHBondContact O-N 3.37Å; N25-S29 WeakPolarHBondContact O-CB 3.36Å; N25-S29 PolarHBondContact O-N 2.96Å |
| 26 | S | 80.5 | Confident | 72.5 | Confident | 74 Ų | 74 | 103.6 Ų | 103.6 | 52% | 0.517 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.9 | -44.7 | 177.9 | 62.3 | 0 | 0 | 0 | 0 | 112.2 | P23 S29 E30 | P23-S26 PolarHBondContact O-OG 3.2Å; P23-S26 VanDerWaalsContact O-OG 3.14Å; S26-S29 PolarHBondContact O-N 3.22Å; S26-E30 WeakPolarHBondContact O-CB 3.41Å; S26-E30 PolarHBondContact O-N 3Å |
| 27 | R | 79.5 | Confident | 75.1 | Confident | 189 Ų | 189 | 102.3 Ų | 102.3 | 71% | 0.713 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.3 | -41.5 | 176.5 | -72.2 | -176.9 | 173.6 | -173.7 | -0.4 | 112.8 | E30 S31 | R27-E30 PolarHBondContact O-N 3.24Å; R27-S31 WeakPolarHBondContact O-CB 3.47Å; R27-S31 PolarHBondContact O-N 3.32Å; R27-S31 PolarHBondContact O-OG 3.39Å |
| 28 | S | 83.7 | Confident | 77.6 | Confident | 76 Ų | 76 | 102 Ų | 102 | 53% | 0.531 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67 | -42.7 | 178 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | T24 N25 S31 A32 | T24-S28 WeakPolarHBondContact O-CB 3.33Å; T24-S28 PolarHBondContact O-N 2.88Å; T24-S28 PolarHBondContact O-OG 3.38Å; N25-S28 PolarHBondContact O-N 3.37Å; S28-S31 PolarHBondContact O-N 3.43Å; S28-A32 WeakPolarHBondContact O-CB 3.31Å; S28-A32 PolarHBondContact O-N 2.99Å |
| 29 | S | 89.4 | Confident | 80.1 | Confident | 52 Ų | 52 | 103.1 Ų | 103.1 | 36% | 0.364 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.8 | -46.8 | 174.1 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | N25 S26 A32 K33 | N25-S29 WeakPolarHBondContact O-CB 3.36Å; N25-S29 PolarHBondContact O-N 2.96Å; S26-S29 PolarHBondContact O-N 3.22Å; S29-A32 WeakPolarHBondContact O-CB 3.42Å; S29-A32 PolarHBondContact O-N 2.92Å; S29-K33 WeakPolarHBondContact O-CG 3.39Å; S29-K33 PolarHBondContact O-N 3.02Å |
| 30 | E | 91.9 | Very high | 82.7 | Confident | 106 Ų | 106 | 100.4 Ų | 100.4 | 50% | 0.495 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 179.7 | -159.2 | 55.8 | -143.3 | 0 | 0 | 112 | S26 R27 A32 K33 D34 | S26-E30 WeakPolarHBondContact O-CB 3.41Å; S26-E30 PolarHBondContact O-N 3Å; R27-E30 PolarHBondContact O-N 3.24Å; E30-A32 VanDerWaalsContact C-N 3.3Å; E30-A32 PolarHBondContact O-N 3.43Å; E30-K33 PolarHBondContact O-N 3.14Å; E30-K33 IonicContact OE2-NZ 3.03Å; E30-K33 PolarHBondContact OE2-NZ 3.4Å; E30-D34 VanDerWaalsContact O-CB 3.28Å; E30-D34 WeakPolarHBondContact O-CB 3.46Å; E30-D34 PolarHBondContact O-N 3.11Å |
| 31 | S | 93.3 | Very high | 84.8 | Confident | 73 Ų | 73 | 100 Ų | 100 | 51% | 0.51 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.8 | -39 | 173.5 | -57 | 0 | 0 | 0 | 0 | 112.1 | R27 S28 C35 | R27-S31 WeakPolarHBondContact O-CB 3.47Å; R27-S31 PolarHBondContact O-N 3.32Å; R27-S31 PolarHBondContact O-OG 3.39Å; S28-S31 PolarHBondContact O-N 3.43Å; S31-C35 WeakPolarHBondContact O-CB 3.48Å; S31-C35 PolarHBondContact O-N 3.21Å |
| 32 | A | 94.2 | Very high | 87 | Confident | 46 Ų | 46 | 102.9 Ų | 102.9 | 38% | 0.38 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68 | -41.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S28 S29 E30 C35 R36 | S28-A32 WeakPolarHBondContact O-CB 3.31Å; S28-A32 PolarHBondContact O-N 2.99Å; S29-A32 WeakPolarHBondContact O-CB 3.42Å; S29-A32 PolarHBondContact O-N 2.92Å; E30-A32 VanDerWaalsContact C-N 3.3Å; E30-A32 PolarHBondContact O-N 3.43Å; A32-C35 PolarHBondContact O-N 2.94Å; A32-R36 VanDerWaalsContact O-CG 3.32Å; A32-R36 WeakPolarHBondContact O-CG 3.27Å; A32-R36 PolarHBondContact O-N 2.96Å; A32-R36 VanDerWaalsContact O-N 3.07Å |
| 33 | K | 96.1 | Very high | 89.2 | Confident | 115 Ų | 115 | 104.3 Ų | 104.3 | 50% | 0.5 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 174.1 | -70.7 | 177 | -163.5 | 163 | 0 | 111.5 | S29 E30 C35 R36 K37 | S29-K33 WeakPolarHBondContact O-CG 3.39Å; S29-K33 PolarHBondContact O-N 3.02Å; E30-K33 PolarHBondContact O-N 3.14Å; E30-K33 IonicContact OE2-NZ 3.03Å; E30-K33 PolarHBondContact OE2-NZ 3.4Å; K33-C35 VanDerWaalsContact C-N 3.35Å; K33-C35 PolarHBondContact O-N 3.25Å; K33-R36 WeakPolarHBondContact O-CB 3.46Å; K33-R36 PolarHBondContact O-N 3.15Å; K33-R36 VanDerWaalsContact O-N 3.15Å; K33-K37 WeakPolarHBondContact O-CB 3.49Å; K33-K37 PolarHBondContact O-N 3.17Å |
| 34 | D | 96.5 | Very high | 91.2 | Very high | 66 Ų | 66 | 107.7 Ų | 107.7 | 35% | 0.353 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 178.7 | 173.6 | 52.6 | 0 | 0 | 0 | 111.6 | E30 R36 K37 R38 | E30-D34 VanDerWaalsContact O-CB 3.28Å; E30-D34 WeakPolarHBondContact O-CB 3.46Å; E30-D34 PolarHBondContact O-N 3.11Å; D34-R36 PolarHBondContact O-N 3.24Å; D34-K37 PolarHBondContact O-N 3.24Å; D34-R38 VanDerWaalsContact CG-NH1 3.29Å; D34-R38 PolarHBondContact O-N 3.07Å; D34-R38 IonicContact OD1-CZ 3.6Å; D34-R38 IonicContact OD1-NH1 3.41Å; D34-R38 PolarHBondContact OD1-NH1 3.4Å; D34-R38 IonicContact OD2-CZ 3.86Å; D34-R38 IonicContact OD2-NH1 2.78Å; D34-R38 PolarHBondContact OD2-NH1 3.3Å; D34-R38 IonicContact OD2-NH2 3.61Å; D34-R38 PolarHBondContact OD2-NH2 3.16Å |
| 35 | C | 97.2 | Very high | 93 | Very high | 72 Ų | 72 | 111.4 Ų | 111.4 | 49% | 0.486 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -57 | -47.5 | 170.1 | -178 | 0 | 0 | 0 | 0 | 112.5 | S31 A32 K33 R38 K39 | S31-C35 WeakPolarHBondContact O-CB 3.48Å; S31-C35 PolarHBondContact O-N 3.21Å; A32-C35 PolarHBondContact O-N 2.94Å; K33-C35 VanDerWaalsContact C-N 3.35Å; K33-C35 PolarHBondContact O-N 3.25Å; C35-R38 PolarHBondContact O-N 2.98Å; C35-K39 PolarHBondContact O-N 3.23Å |
| 36 | R | 97.6 | Very high | 94.4 | Very high | 193 Ų | 193 | 109.6 Ų | 109.6 | 73% | 0.728 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.3 | -43.5 | 177.1 | -68.4 | 171 | -174.8 | -148.3 | 2.3 | 111.8 | A32 K33 D34 R38 K39 A40 | A32-R36 VanDerWaalsContact O-CG 3.32Å; A32-R36 WeakPolarHBondContact O-CG 3.27Å; A32-R36 PolarHBondContact O-N 2.96Å; A32-R36 VanDerWaalsContact O-N 3.07Å; K33-R36 WeakPolarHBondContact O-CB 3.46Å; K33-R36 PolarHBondContact O-N 3.15Å; K33-R36 VanDerWaalsContact O-N 3.15Å; D34-R36 PolarHBondContact O-N 3.24Å; R36-R38 PolarHBondContact O-N 3.32Å; R36-K39 PolarHBondContact O-N 3.31Å; R36-A40 PolarHBondContact O-N 3.22Å |
| 37 | K | 97.8 | Very high | 95.3 | Very high | 141 Ų | 141 | 109 Ų | 109 | 61% | 0.613 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.3 | -45.4 | 177.6 | -173.7 | 179 | 179.7 | -178.9 | 0 | 111.2 | K33 D34 K39 A40 L41 | K33-K37 WeakPolarHBondContact O-CB 3.49Å; K33-K37 PolarHBondContact O-N 3.17Å; D34-K37 PolarHBondContact O-N 3.24Å; K37-K39 PolarHBondContact O-N 3.49Å; K37-A40 PolarHBondContact O-N 3.32Å; K37-L41 HydrophobicContact CG-CD1 4.31Å; K37-L41 WeakPolarHBondContact O-CG 3.43Å; K37-L41 PolarHBondContact O-N 3.18Å |
| 38 | R | 98.1 | Very high | 96.2 | Very high | 136 Ų | 136 | 103.7 Ų | 103.7 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.5 | -45 | 173.9 | -80 | -166.3 | -71.6 | -92.1 | -11.9 | 112.6 | D34 C35 R36 A40 L41 R42 | D34-R38 VanDerWaalsContact CG-NH1 3.29Å; D34-R38 PolarHBondContact O-N 3.07Å; D34-R38 IonicContact OD1-CZ 3.6Å; D34-R38 IonicContact OD1-NH1 3.41Å; D34-R38 PolarHBondContact OD1-NH1 3.4Å; D34-R38 IonicContact OD2-CZ 3.86Å; D34-R38 IonicContact OD2-NH1 2.78Å; D34-R38 PolarHBondContact OD2-NH1 3.3Å; D34-R38 IonicContact OD2-NH2 3.61Å; D34-R38 PolarHBondContact OD2-NH2 3.16Å; C35-R38 PolarHBondContact O-N 2.98Å; R36-R38 PolarHBondContact O-N 3.32Å; R38-A40 VanDerWaalsContact C-N 3.34Å; R38-A40 PolarHBondContact O-N 3.48Å; R38-L41 PolarHBondContact O-N 2.88Å; R38-R42 WeakPolarHBondContact O-CB 3.42Å; R38-R42 PolarHBondContact O-N 3.21Å |
| 39 | K | 98.3 | Very high | 96.9 | Very high | 148 Ų | 148 | 101.2 Ų | 101.2 | 64% | 0.643 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.8 | -44 | 177.2 | -175.3 | 177 | 178.5 | -179.6 | 0 | 111.2 | C35 R36 K37 R42 I43 | C35-K39 PolarHBondContact O-N 3.23Å; R36-K39 PolarHBondContact O-N 3.31Å; K37-K39 PolarHBondContact O-N 3.49Å; K39-R42 PolarHBondContact O-N 2.89Å; K39-I43 HydrophobicContact CG-CD1 4.03Å; K39-I43 VanDerWaalsContact O-CG1 3.3Å; K39-I43 WeakPolarHBondContact O-CG1 3.5Å; K39-I43 PolarHBondContact O-N 3.06Å |
| 40 | A | 98.2 | Very high | 97.4 | Very high | 56 Ų | 56 | 102.1 Ų | 102.1 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.5 | -48 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R36 K37 R38 R42 I43 Q44 | R36-A40 PolarHBondContact O-N 3.22Å; K37-A40 PolarHBondContact O-N 3.32Å; R38-A40 VanDerWaalsContact C-N 3.34Å; R38-A40 PolarHBondContact O-N 3.48Å; A40-R42 VanDerWaalsContact C-N 3.32Å; A40-R42 PolarHBondContact O-N 3.41Å; A40-I43 PolarHBondContact O-N 2.99Å; A40-Q44 WeakPolarHBondContact O-CB 3.26Å; A40-Q44 PolarHBondContact O-N 2.73Å |
| 41 | L | 98.3 | Very high | 97.7 | Very high | 95 Ų | 95 | 102.2 Ų | 102.2 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.7 | -41.3 | 176.6 | -74.3 | 171.9 | 0 | 0 | 0 | 112.2 | K37 R38 Q44 Y45 | K37-L41 HydrophobicContact CG-CD1 4.31Å; K37-L41 WeakPolarHBondContact O-CG 3.43Å; K37-L41 PolarHBondContact O-N 3.18Å; R38-L41 PolarHBondContact O-N 2.88Å; L41-Q44 PolarHBondContact O-N 2.93Å; L41-Y45 WeakPolarHBondContact O-CB 3.48Å; L41-Y45 PolarHBondContact O-N 3.47Å |
| 42 | R | 98.6 | Very high | 97.9 | Very high | 181 Ų | 181 | 102.8 Ų | 102.8 | 68% | 0.683 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.1 | -44.8 | 176.4 | -176.5 | 176.3 | -178.1 | -120.7 | 0.9 | 111.7 | R38 K39 A40 Y45 L46 | R38-R42 WeakPolarHBondContact O-CB 3.42Å; R38-R42 PolarHBondContact O-N 3.21Å; K39-R42 PolarHBondContact O-N 2.89Å; A40-R42 VanDerWaalsContact C-N 3.32Å; A40-R42 PolarHBondContact O-N 3.41Å; R42-Y45 PolarHBondContact O-N 3.23Å; R42-L46 HydrophobicContact CG-CD1 4.28Å; R42-L46 WeakPolarHBondContact O-CG 3.36Å; R42-L46 PolarHBondContact O-N 3.37Å |
| 43 | I | 98.6 | Very high | 98.2 | Very high | 100 Ų | 100 | 108 Ų | 108 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 177.4 | -68.8 | 165.3 | 0 | 0 | 0 | 110.1 | K39 A40 Y45 L46 A47 | K39-I43 HydrophobicContact CG-CD1 4.03Å; K39-I43 VanDerWaalsContact O-CG1 3.3Å; K39-I43 WeakPolarHBondContact O-CG1 3.5Å; K39-I43 PolarHBondContact O-N 3.06Å; A40-I43 PolarHBondContact O-N 2.99Å; I43-Y45 PolarHBondContact O-N 2.88Å; I43-L46 PolarHBondContact O-N 3.47Å; I43-A47 WeakPolarHBondContact O-CB 3.41Å; I43-A47 PolarHBondContact O-N 3.4Å |
| 44 | Q | 98.5 | Very high | 98.3 | Very high | 131 Ų | 131 | 108 Ų | 108 | 61% | 0.612 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.7 | -45.4 | 177.7 | -175.9 | -178.5 | -4 | 0 | 0 | 112 | A40 L41 L46 A47 E48 | A40-Q44 WeakPolarHBondContact O-CB 3.26Å; A40-Q44 PolarHBondContact O-N 2.73Å; L41-Q44 PolarHBondContact O-N 2.93Å; Q44-L46 PolarHBondContact O-N 3.09Å; Q44-A47 PolarHBondContact O-N 2.88Å; Q44-E48 WeakPolarHBondContact O-CB 3.38Å; Q44-E48 PolarHBondContact O-N 3.42Å |
| 45 | Y | 98.7 | Very high | 98.4 | Very high | 165 Ų | 165 | 108.9 Ų | 108.9 | 65% | 0.647 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.2 | -44.3 | 176.9 | 174.7 | -96.8 | 0 | 0 | 0 | 112.2 | L41 R42 I43 E48 S49 | L41-Y45 WeakPolarHBondContact O-CB 3.48Å; L41-Y45 PolarHBondContact O-N 3.47Å; R42-Y45 PolarHBondContact O-N 3.23Å; I43-Y45 PolarHBondContact O-N 2.88Å; Y45-E48 PolarHBondContact O-N 3.19Å; Y45-S49 VanDerWaalsContact O-CB 3.32Å; Y45-S49 WeakPolarHBondContact O-CB 3.31Å; Y45-S49 PolarHBondContact O-N 2.97Å |
| 46 | L | 98.7 | Very high | 98.5 | Very high | 87 Ų | 87 | 109.3 Ų | 109.3 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 177.5 | -70.8 | 172.4 | 0 | 0 | 0 | 111.5 | R42 I43 Q44 S49 V50 | R42-L46 HydrophobicContact CG-CD1 4.28Å; R42-L46 WeakPolarHBondContact O-CG 3.36Å; R42-L46 PolarHBondContact O-N 3.37Å; I43-L46 PolarHBondContact O-N 3.47Å; Q44-L46 PolarHBondContact O-N 3.09Å; L46-S49 WeakPolarHBondContact O-CB 3.48Å; L46-S49 PolarHBondContact O-N 3.18Å; L46-V50 WeakPolarHBondContact O-CG2 3.39Å; L46-V50 PolarHBondContact O-N 3.45Å |
| 47 | A | 98.6 | Very high | 98.5 | Very high | 60 Ų | 60 | 104.6 Ų | 104.6 | 50% | 0.496 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I43 Q44 S49 V50 R51 | I43-A47 WeakPolarHBondContact O-CB 3.41Å; I43-A47 PolarHBondContact O-N 3.4Å; Q44-A47 PolarHBondContact O-N 2.88Å; A47-S49 VanDerWaalsContact C-N 3.34Å; A47-S49 PolarHBondContact O-N 3.19Å; A47-V50 PolarHBondContact O-N 2.91Å; A47-R51 WeakPolarHBondContact O-CB 3.39Å; A47-R51 PolarHBondContact O-N 2.92Å |
| 48 | E | 98.6 | Very high | 98.5 | Very high | 79 Ų | 79 | 101.5 Ų | 101.5 | 37% | 0.369 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 176.3 | -179.4 | 56.8 | -160.7 | 0 | 0 | 111.8 | Q44 Y45 V50 R51 L52 | Q44-E48 WeakPolarHBondContact O-CB 3.38Å; Q44-E48 PolarHBondContact O-N 3.42Å; Y45-E48 PolarHBondContact O-N 3.19Å; E48-V50 VanDerWaalsContact C-N 3.34Å; E48-V50 PolarHBondContact O-N 3.09Å; E48-R51 PolarHBondContact O-N 3.39Å; E48-R51 IonicContact OE1-CZ 2.88Å; E48-R51 IonicContact OE1-NE 3.41Å; E48-R51 PolarHBondContact OE1-NE 2.87Å; E48-R51 IonicContact OE1-NH2 2.57Å; E48-R51 PolarHBondContact OE1-NH2 3.43Å; E48-R51 IonicContact OE2-CZ 3.34Å; E48-R51 IonicContact OE2-NE 3.97Å; E48-R51 PolarHBondContact OE2-NE 3.31Å; E48-R51 IonicContact OE2-NH2 3.04Å; E48-L52 HydrophobicContact CG-CD1 4.21Å; E48-L52 WeakPolarHBondContact O-CG 3.29Å; E48-L52 PolarHBondContact O-N 3.3Å; E48-L52 WeakPolarHBondContact OE1-CG 3.47Å |
| 49 | S | 98.5 | Very high | 98.5 | Very high | 23 Ų | 23 | 100.8 Ų | 100.8 | 16% | 0.161 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -62.5 | -39.4 | 176.6 | -170.7 | 0 | 0 | 0 | 0 | 112.4 | Y45 L46 A47 R53 | Y45-S49 VanDerWaalsContact O-CB 3.32Å; Y45-S49 WeakPolarHBondContact O-CB 3.31Å; Y45-S49 PolarHBondContact O-N 2.97Å; L46-S49 WeakPolarHBondContact O-CB 3.48Å; L46-S49 PolarHBondContact O-N 3.18Å; A47-S49 VanDerWaalsContact C-N 3.34Å; A47-S49 PolarHBondContact O-N 3.19Å; S49-R53 WeakPolarHBondContact O-CG 3.49Å; S49-R53 PolarHBondContact O-N 3.46Å; S49-R53 PolarHBondContact O-NH1 2.92Å; S49-R53 PolarHBondContact OG-NH1 3.02Å; S49-R53 PolarHBondContact OG-NH2 2.79Å |
| 50 | V | 98.7 | Very high | 98.5 | Very high | 72 Ų | 72 | 99 Ų | 99 | 44% | 0.436 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.7 | -49.1 | 174 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | L46 A47 E48 L52 R53 E54 | L46-V50 WeakPolarHBondContact O-CG2 3.39Å; L46-V50 PolarHBondContact O-N 3.45Å; A47-V50 PolarHBondContact O-N 2.91Å; E48-V50 VanDerWaalsContact C-N 3.34Å; E48-V50 PolarHBondContact O-N 3.09Å; V50-L52 VanDerWaalsContact C-N 3.31Å; V50-L52 PolarHBondContact O-N 3.29Å; V50-R53 WeakPolarHBondContact O-CB 3.34Å; V50-R53 PolarHBondContact O-N 3.45Å; V50-R53 VanDerWaalsContact O-N 3.09Å; V50-E54 HydrophobicContact CG1-CG 4.36Å; V50-E54 WeakPolarHBondContact CG1-OE1 3.46Å; V50-E54 WeakPolarHBondContact O-CG 3.42Å; V50-E54 PolarHBondContact O-N 3.25Å |
| 51 | R | 98.6 | Very high | 98.5 | Very high | 108 Ų | 108 | 102.5 Ų | 102.5 | 41% | 0.408 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -54.5 | -45.1 | 178.3 | -170.5 | -166 | 74.8 | 80 | 4 | 112.4 | A47 E48 E54 L55 | A47-R51 WeakPolarHBondContact O-CB 3.39Å; A47-R51 PolarHBondContact O-N 2.92Å; E48-R51 PolarHBondContact O-N 3.39Å; E48-R51 IonicContact OE1-CZ 2.88Å; E48-R51 IonicContact OE1-NE 3.41Å; E48-R51 PolarHBondContact OE1-NE 2.87Å; E48-R51 IonicContact OE1-NH2 2.57Å; E48-R51 PolarHBondContact OE1-NH2 3.43Å; E48-R51 IonicContact OE2-CZ 3.34Å; E48-R51 IonicContact OE2-NE 3.97Å; E48-R51 PolarHBondContact OE2-NE 3.31Å; E48-R51 IonicContact OE2-NH2 3.04Å; R51-E54 PolarHBondContact O-N 2.96Å; R51-L55 WeakPolarHBondContact O-CG 3.48Å; R51-L55 PolarHBondContact O-N 3.44Å |
| 52 | L | 98.7 | Very high | 98.4 | Very high | 85 Ų | 85 | 105.5 Ų | 105.5 | 45% | 0.445 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 178.3 | -73.1 | 172.3 | 0 | 0 | 0 | 111.9 | E48 V50 L55 T56 | E48-L52 HydrophobicContact CG-CD1 4.21Å; E48-L52 WeakPolarHBondContact O-CG 3.29Å; E48-L52 PolarHBondContact O-N 3.3Å; E48-L52 WeakPolarHBondContact OE1-CG 3.47Å; V50-L52 VanDerWaalsContact C-N 3.31Å; V50-L52 PolarHBondContact O-N 3.29Å; L52-L55 PolarHBondContact O-N 3.4Å; L52-T56 PolarHBondContact O-N 3.26Å; L52-T56 PolarHBondContact O-OG1 2.9Å; L52-T56 VanDerWaalsContact O-OG1 3.09Å |
| 53 | R | 98.7 | Very high | 98.3 | Very high | 155 Ų | 155 | 99.3 Ų | 99.3 | 59% | 0.585 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.1 | -44.4 | 175.8 | -72.4 | -177.2 | -170.7 | 95.5 | 1.7 | 111.7 | S49 V50 L55 T56 V57 | S49-R53 WeakPolarHBondContact O-CG 3.49Å; S49-R53 PolarHBondContact O-N 3.46Å; S49-R53 PolarHBondContact O-NH1 2.92Å; S49-R53 PolarHBondContact OG-NH1 3.02Å; S49-R53 PolarHBondContact OG-NH2 2.79Å; V50-R53 WeakPolarHBondContact O-CB 3.34Å; V50-R53 PolarHBondContact O-N 3.45Å; V50-R53 VanDerWaalsContact O-N 3.09Å; R53-L55 VanDerWaalsContact C-N 3.33Å; R53-L55 PolarHBondContact O-N 3.09Å; R53-T56 WeakPolarHBondContact O-CB 3.45Å; R53-T56 PolarHBondContact O-N 2.96Å; R53-V57 WeakPolarHBondContact O-CG2 3.49Å; R53-V57 PolarHBondContact O-N 3.35Å |
| 54 | E | 98.7 | Very high | 98.2 | Very high | 114 Ų | 114 | 98.9 Ų | 98.9 | 53% | 0.533 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.4 | -44.6 | 177 | -70.1 | 172 | 168.5 | 0 | 0 | 111.5 | V50 R51 T56 V57 I58 | V50-E54 HydrophobicContact CG1-CG 4.36Å; V50-E54 WeakPolarHBondContact CG1-OE1 3.46Å; V50-E54 WeakPolarHBondContact O-CG 3.42Å; V50-E54 PolarHBondContact O-N 3.25Å; R51-E54 PolarHBondContact O-N 2.96Å; E54-T56 PolarHBondContact O-N 3.3Å; E54-V57 PolarHBondContact O-N 3.47Å; E54-I58 VanDerWaalsContact O-CG1 3.29Å; E54-I58 WeakPolarHBondContact O-CG1 3.32Å; E54-I58 PolarHBondContact O-N 3.31Å |
| 55 | L | 98.7 | Very high | 98.2 | Very high | 86 Ų | 86 | 96 Ų | 96 | 45% | 0.45 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 174.9 | -73.2 | -179.6 | 0 | 0 | 0 | 112.8 | R51 L52 R53 I58 K59 | R51-L55 WeakPolarHBondContact O-CG 3.48Å; R51-L55 PolarHBondContact O-N 3.44Å; L52-L55 PolarHBondContact O-N 3.4Å; R53-L55 VanDerWaalsContact C-N 3.33Å; R53-L55 PolarHBondContact O-N 3.09Å; L55-I58 PolarHBondContact O-N 2.93Å; L55-K59 WeakPolarHBondContact O-CB 3.48Å; L55-K59 PolarHBondContact O-N 2.96Å |
| 56 | T | 98.6 | Very high | 97.9 | Very high | 81 Ų | 81 | 91.4 Ų | 91.4 | 50% | 0.497 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 174.3 | -60.8 | 0 | 0 | 0 | 0 | 111.1 | L52 R53 E54 I58 K59 M60 | L52-T56 PolarHBondContact O-N 3.26Å; L52-T56 PolarHBondContact O-OG1 2.9Å; L52-T56 VanDerWaalsContact O-OG1 3.09Å; R53-T56 WeakPolarHBondContact O-CB 3.45Å; R53-T56 PolarHBondContact O-N 2.96Å; E54-T56 PolarHBondContact O-N 3.3Å; T56-I58 PolarHBondContact O-N 3.38Å; T56-K59 PolarHBondContact O-N 3.3Å; T56-M60 HydrophobicContact CG2-CG 4.4Å; T56-M60 HydrophobicContact CG2-SD 4.01Å; T56-M60 VanDerWaalsContact O-CG 3.31Å; T56-M60 WeakPolarHBondContact O-CG 3.42Å; T56-M60 PolarHBondContact O-N 3.4Å |
| 57 | V | 98.6 | Very high | 97.8 | Very high | 94 Ų | 94 | 91.1 Ų | 91.1 | 57% | 0.57 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -60.7 | -45 | 177.3 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | R53 E54 K59 M60 K61 | R53-V57 WeakPolarHBondContact O-CG2 3.49Å; R53-V57 PolarHBondContact O-N 3.35Å; E54-V57 PolarHBondContact O-N 3.47Å; V57-K59 VanDerWaalsContact C-N 3.34Å; V57-K59 PolarHBondContact O-N 2.91Å; V57-M60 PolarHBondContact O-N 2.68Å; V57-K61 WeakPolarHBondContact O-CB 3.42Å; V57-K61 PolarHBondContact O-N 3.34Å |
| 58 | I | 98.5 | Very high | 97.7 | Very high | 76 Ų | 76 | 92.8 Ų | 92.8 | 39% | 0.39 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 176.8 | -69.3 | 166 | 0 | 0 | 0 | 110.9 | E54 L55 T56 K61 R62 | E54-I58 VanDerWaalsContact O-CG1 3.29Å; E54-I58 WeakPolarHBondContact O-CG1 3.32Å; E54-I58 PolarHBondContact O-N 3.31Å; L55-I58 PolarHBondContact O-N 2.93Å; T56-I58 PolarHBondContact O-N 3.38Å; I58-K61 PolarHBondContact O-N 3.29Å; I58-R62 VanDerWaalsContact CG2-CZ 3.49Å; I58-R62 WeakPolarHBondContact O-CG 3.41Å; I58-R62 PolarHBondContact O-N 2.94Å; I58-R62 VanDerWaalsContact O-N 3.09Å |
| 59 | K | 97.7 | Very high | 97.5 | Very high | 120 Ų | 120 | 93 Ų | 93 | 52% | 0.522 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.8 | -49.3 | 175.8 | -177.8 | -174.9 | 178.9 | -64.2 | 0 | 111.1 | L55 T56 V57 K61 R62 D63 | L55-K59 WeakPolarHBondContact O-CB 3.48Å; L55-K59 PolarHBondContact O-N 2.96Å; T56-K59 PolarHBondContact O-N 3.3Å; V57-K59 VanDerWaalsContact C-N 3.34Å; V57-K59 PolarHBondContact O-N 2.91Å; K59-K61 VanDerWaalsContact C-N 3.3Å; K59-K61 PolarHBondContact O-N 3.4Å; K59-R62 PolarHBondContact O-N 3.39Å; K59-D63 IonicContact NZ-OD2 2.73Å; K59-D63 PolarHBondContact NZ-OD2 2.78Å; K59-D63 PolarHBondContact O-N 3.05Å |
| 60 | M | 97.9 | Very high | 97.3 | Very high | 111 Ų | 111 | 92.3 Ų | 92.3 | 55% | 0.547 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.4 | -42 | 179 | -71.2 | 175.5 | 71.3 | 0 | 0 | 111.6 | T56 V57 R62 D63 I64 | T56-M60 HydrophobicContact CG2-CG 4.4Å; T56-M60 HydrophobicContact CG2-SD 4.01Å; T56-M60 VanDerWaalsContact O-CG 3.31Å; T56-M60 WeakPolarHBondContact O-CG 3.42Å; T56-M60 PolarHBondContact O-N 3.4Å; V57-M60 PolarHBondContact O-N 2.68Å; M60-R62 PolarHBondContact O-N 3.28Å; M60-D63 PolarHBondContact O-N 3.5Å; M60-I64 WeakPolarHBondContact O-CG1 3.33Å; M60-I64 PolarHBondContact O-N 2.91Å |
| 61 | K | 98.2 | Very high | 97.1 | Very high | 130 Ų | 130 | 92 Ų | 92 | 57% | 0.565 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -58.1 | -48.1 | 175.2 | -178 | 177.3 | 168.7 | 55.7 | 0 | 111.5 | V57 I58 K59 D63 I64 D65 | V57-K61 WeakPolarHBondContact O-CB 3.42Å; V57-K61 PolarHBondContact O-N 3.34Å; I58-K61 PolarHBondContact O-N 3.29Å; K59-K61 VanDerWaalsContact C-N 3.3Å; K59-K61 PolarHBondContact O-N 3.4Å; K61-D63 VanDerWaalsContact C-N 3.28Å; K61-D63 PolarHBondContact O-N 3.46Å; K61-I64 PolarHBondContact O-N 3.35Å; K61-D65 IonicContact NZ-OD1 2.93Å; K61-D65 PolarHBondContact O-N 2.91Å |
| 62 | R | 97 | Very high | 97 | Very high | 158 Ų | 158 | 92.6 Ų | 92.6 | 60% | 0.596 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -61.2 | -37.6 | 176.8 | -68.4 | 175.8 | -169.4 | 148.6 | 1.1 | 112.4 | I58 K59 M60 D65 K66 | I58-R62 VanDerWaalsContact CG2-CZ 3.49Å; I58-R62 WeakPolarHBondContact O-CG 3.41Å; I58-R62 PolarHBondContact O-N 2.94Å; I58-R62 VanDerWaalsContact O-N 3.09Å; K59-R62 PolarHBondContact O-N 3.39Å; M60-R62 PolarHBondContact O-N 3.28Å; R62-D65 PolarHBondContact O-N 2.94Å; R62-K66 WeakPolarHBondContact O-CG 3.39Å; R62-K66 PolarHBondContact O-N 3.34Å |
| 63 | D | 96.1 | Very high | 96.8 | Very high | 50 Ų | 50 | 92.5 Ų | 92.5 | 27% | 0.267 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69.3 | -37.9 | 178.3 | -67.2 | -23.2 | 0 | 0 | 0 | 111 | K59 M60 K61 K66 L67 | K59-D63 IonicContact NZ-OD2 2.73Å; K59-D63 PolarHBondContact NZ-OD2 2.78Å; K59-D63 PolarHBondContact O-N 3.05Å; M60-D63 PolarHBondContact O-N 3.5Å; K61-D63 VanDerWaalsContact C-N 3.28Å; K61-D63 PolarHBondContact O-N 3.46Å; D63-K66 PolarHBondContact O-N 2.88Å; D63-K66 IonicContact OD1-NZ 2.68Å; D63-K66 PolarHBondContact OD1-NZ 3.44Å; D63-L67 WeakPolarHBondContact O-CG 3.46Å; D63-L67 PolarHBondContact O-N 3.41Å |
| 64 | I | 97 | Very high | 96.6 | Very high | 92 Ų | 92 | 89 Ų | 89 | 47% | 0.472 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 171.1 | -68.9 | 166.8 | 0 | 0 | 0 | 111.1 | M60 K61 K66 L67 L68 | M60-I64 WeakPolarHBondContact O-CG1 3.33Å; M60-I64 PolarHBondContact O-N 2.91Å; K61-I64 PolarHBondContact O-N 3.35Å; I64-K66 VanDerWaalsContact C-N 3.27Å; I64-K66 PolarHBondContact O-N 2.57Å; I64-L67 WeakPolarHBondContact O-CB 3.49Å; I64-L67 PolarHBondContact O-N 2.9Å; I64-L68 HydrophobicContact CG2-CD1 3.99Å; I64-L68 HydrophobicContact CG2-CG 4.2Å; I64-L68 WeakPolarHBondContact O-CG 3.41Å; I64-L68 PolarHBondContact O-N 2.91Å |
| 65 | D | 96.9 | Very high | 96.5 | Very high | 71 Ų | 71 | 90.2 Ų | 90.2 | 38% | 0.38 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.2 | -39 | -179.4 | -65.5 | -27 | 0 | 0 | 0 | 111.1 | K61 R62 L68 E69 | K61-D65 IonicContact NZ-OD1 2.93Å; K61-D65 PolarHBondContact O-N 2.91Å; R62-D65 PolarHBondContact O-N 2.94Å; D65-L68 PolarHBondContact O-N 3.42Å; D65-E69 PolarHBondContact O-N 3.3Å |
| 66 | K | 94.1 | Very high | 96.3 | Very high | 67 Ų | 67 | 93.3 Ų | 93.3 | 29% | 0.291 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 173.3 | -64.6 | 166.6 | -166.8 | 164.1 | 0 | 112.9 | R62 D63 I64 L68 E69 L70 | R62-K66 WeakPolarHBondContact O-CG 3.39Å; R62-K66 PolarHBondContact O-N 3.34Å; D63-K66 PolarHBondContact O-N 2.88Å; D63-K66 IonicContact OD1-NZ 2.68Å; D63-K66 PolarHBondContact OD1-NZ 3.44Å; I64-K66 VanDerWaalsContact C-N 3.27Å; I64-K66 PolarHBondContact O-N 2.57Å; K66-L68 VanDerWaalsContact C-N 3.35Å; K66-E69 WeakPolarHBondContact O-CB 3.3Å; K66-E69 PolarHBondContact O-N 3.41Å; K66-L70 PolarHBondContact O-N 2.93Å |
| 67 | L | 95.2 | Very high | 96.2 | Very high | 81 Ų | 81 | 92.8 Ų | 92.8 | 42% | 0.424 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.5 | -38.5 | 177.6 | -70.9 | 171.9 | 0 | 0 | 0 | 111.1 | D63 I64 L70 C71 C87 I89 | D63-L67 WeakPolarHBondContact O-CG 3.46Å; D63-L67 PolarHBondContact O-N 3.41Å; I64-L67 WeakPolarHBondContact O-CB 3.49Å; I64-L67 PolarHBondContact O-N 2.9Å; L67-L70 WeakPolarHBondContact O-CB 3.5Å; L67-L70 PolarHBondContact O-N 3.48Å; L67-C71 PolarHBondContact O-N 3.04Å; L67-C71 PolarHBondContact O-SG 3.2Å; L67-C87 HydrophobicContact CD2-CB 4.17Å; L67-I89 HydrophobicContact CD2-CD1 4.44Å |
| 68 | L | 96.3 | Very high | 95.9 | Very high | 96 Ų | 96 | 92.4 Ų | 92.4 | 50% | 0.503 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 174 | -70.3 | 174.4 | 0 | 0 | 0 | 111.5 | I64 D65 K66 L70 C71 Q72 | I64-L68 HydrophobicContact CG2-CD1 3.99Å; I64-L68 HydrophobicContact CG2-CG 4.2Å; I64-L68 WeakPolarHBondContact O-CG 3.41Å; I64-L68 PolarHBondContact O-N 2.91Å; D65-L68 PolarHBondContact O-N 3.42Å; K66-L68 VanDerWaalsContact C-N 3.35Å; L68-L70 VanDerWaalsContact C-N 3.32Å; L68-L70 PolarHBondContact O-N 3.5Å; L68-C71 PolarHBondContact O-N 3.45Å; L68-Q72 WeakPolarHBondContact O-CG 3.44Å; L68-Q72 PolarHBondContact O-N 2.77Å; L68-Q72 VanDerWaalsContact O-N 3.11Å |
| 69 | E | 94.7 | Very high | 95.6 | Very high | 82 Ų | 82 | 92.5 Ų | 92.5 | 38% | 0.383 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -57.7 | -45.6 | 172.1 | -174.9 | -177.2 | -176.8 | 0 | 0 | 110.7 | D65 K66 C71 Q72 Y73 L83 | D65-E69 PolarHBondContact O-N 3.3Å; K66-E69 WeakPolarHBondContact O-CB 3.3Å; K66-E69 PolarHBondContact O-N 3.41Å; E69-C71 PolarHBondContact O-N 3.22Å; E69-Q72 WeakPolarHBondContact O-CB 3.28Å; E69-Q72 PolarHBondContact O-N 2.95Å; E69-Q72 VanDerWaalsContact O-N 3.14Å; E69-Y73 HydrophobicContact CG-CD2 4.26Å; E69-Y73 HydrophobicContact CG-CE2 3.91Å; E69-Y73 VanDerWaalsContact O-CD2 3.27Å; E69-Y73 WeakPolarHBondContact O-CD2 3.38Å; E69-Y73 PolarHBondContact O-N 3.07Å; E69-L83 HydrophobicContact CB-CD2 4.33Å; E69-L83 HydrophobicContact CG-CD2 3.93Å |
| 70 | L | 94.4 | Very high | 95.2 | Very high | 10 Ų | 10 | 87.9 Ų | 87.9 | 5% | 0.052 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 177.3 | 179.2 | 65.3 | 0 | 0 | 0 | 112.5 | K66 L67 L68 Q72 Y73 I74 P80 L83 L84 I89 | K66-L70 PolarHBondContact O-N 2.93Å; L67-L70 WeakPolarHBondContact O-CB 3.5Å; L67-L70 PolarHBondContact O-N 3.48Å; L68-L70 VanDerWaalsContact C-N 3.32Å; L68-L70 PolarHBondContact O-N 3.5Å; L70-Q72 VanDerWaalsContact C-N 3.29Å; L70-Q72 PolarHBondContact O-N 3.22Å; L70-Y73 PolarHBondContact O-N 2.92Å; L70-I74 HydrophobicContact CD1-CD1 4.26Å; L70-I74 HydrophobicContact CD1-CG1 4.48Å; L70-I74 HydrophobicContact CD2-CD1 4.5Å; L70-I74 HydrophobicContact CG-CD1 3.89Å; L70-I74 WeakPolarHBondContact O-CG1 3.42Å; L70-I74 PolarHBondContact O-N 3.29Å; L70-P80 HydrophobicContact CD1-CG 4.47Å; L70-L83 VanDerWaalsContact CA-CD2 3.47Å; L70-L83 HydrophobicContact CB-CD2 3.75Å; L70-L83 HydrophobicContact CB-CG 4.11Å; L70-L83 HydrophobicContact CD1-CB 4.29Å; L70-L83 HydrophobicContact CD1-CD2 4Å; L70-L83 HydrophobicContact CD1-CG 4.18Å; L70-L84 HydrophobicContact CD1-CD2 3.91Å; L70-L84 HydrophobicContact CD1-CG 4.32Å; L70-L84 HydrophobicContact CD2-CD2 3.64Å; L70-L84 HydrophobicContact CG-CD2 4.41Å; L70-I89 HydrophobicContact CD2-CD1 3.96Å |
| 71 | C | 95.1 | Very high | 94.9 | Very high | 66 Ų | 66 | 86.9 Ų | 86.9 | 45% | 0.446 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.2 | -40.3 | 174.8 | -69.3 | 0 | 0 | 0 | 0 | 112 | L67 L68 E69 Y73 I74 D75 | L67-C71 PolarHBondContact O-N 3.04Å; L67-C71 PolarHBondContact O-SG 3.2Å; L68-C71 PolarHBondContact O-N 3.45Å; E69-C71 PolarHBondContact O-N 3.22Å; C71-Y73 VanDerWaalsContact C-N 3.32Å; C71-Y73 PolarHBondContact O-N 3.49Å; C71-I74 PolarHBondContact O-N 3.04Å; C71-D75 WeakPolarHBondContact O-CB 3.35Å; C71-D75 VanDerWaalsContact O-CG 3.23Å; C71-D75 PolarHBondContact O-N 3.46Å |
| 72 | Q | 96 | Very high | 94.5 | Very high | 119 Ų | 119 | 83.9 Ų | 83.9 | 56% | 0.556 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -61.7 | -38.6 | 177.7 | -68.9 | 171.7 | 1.7 | 0 | 0 | 112.7 | L68 E69 L70 Q76 | L68-Q72 WeakPolarHBondContact O-CG 3.44Å; L68-Q72 PolarHBondContact O-N 2.77Å; L68-Q72 VanDerWaalsContact O-N 3.11Å; E69-Q72 WeakPolarHBondContact O-CB 3.28Å; E69-Q72 PolarHBondContact O-N 2.95Å; E69-Q72 VanDerWaalsContact O-N 3.14Å; L70-Q72 VanDerWaalsContact C-N 3.29Å; L70-Q72 PolarHBondContact O-N 3.22Å; Q72-Q76 VanDerWaalsContact O-CG 3.31Å; Q72-Q76 WeakPolarHBondContact O-CG 3.46Å; Q72-Q76 PolarHBondContact O-N 3.38Å; Q72-Q76 PolarHBondContact O-NE2 2.94Å |
| 73 | Y | 95.2 | Very high | 94.2 | Very high | 83 Ų | 83 | 76.6 Ų | 76.6 | 33% | 0.325 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.4 | -44.8 | 174.1 | -79.2 | -79.1 | 0 | 0 | 0 | 111.5 | E69 L70 C71 D75 Q76 G77 D78 P80 L83 | E69-Y73 HydrophobicContact CG-CD2 4.26Å; E69-Y73 HydrophobicContact CG-CE2 3.91Å; E69-Y73 VanDerWaalsContact O-CD2 3.27Å; E69-Y73 WeakPolarHBondContact O-CD2 3.38Å; E69-Y73 PolarHBondContact O-N 3.07Å; L70-Y73 PolarHBondContact O-N 2.92Å; C71-Y73 VanDerWaalsContact C-N 3.32Å; C71-Y73 PolarHBondContact O-N 3.49Å; Y73-D75 VanDerWaalsContact C-N 3.3Å; Y73-D75 PolarHBondContact O-N 2.95Å; Y73-Q76 CarbonylContact O-C 3.46Å; Y73-Q76 WeakPolarHBondContact O-CA 3.42Å; Y73-Q76 WeakPolarHBondContact O-CB 3.34Å; Y73-Q76 PolarHBondContact O-N 2.88Å; Y73-G77 PolarHBondContact O-N 3.24Å; Y73-D78 CarbonylContact C-O 3.52Å; Y73-D78 HydrophobicContact CD1-CB 4.39Å; Y73-D78 PolarHBondContact O-N 3.15Å; Y73-P80 HydrophobicContact CD1-CG 4.06Å; Y73-P80 HydrophobicContact CD2-CG 3.95Å; Y73-P80 HydrophobicContact CG-CG 3.7Å; Y73-L83 HydrophobicContact CD2-CD2 3.8Å; Y73-L83 HydrophobicContact CE2-CD2 4.14Å |
| 74 | I | 94.2 | Very high | 94 | Very high | 81 Ų | 81 | 75 Ų | 75 | 42% | 0.415 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.1 | -41.9 | 178.9 | -68.6 | 168.2 | 0 | 0 | 0 | 111 | L70 C71 Q76 G77 D78 V79 | L70-I74 HydrophobicContact CD1-CD1 4.26Å; L70-I74 HydrophobicContact CD1-CG1 4.48Å; L70-I74 HydrophobicContact CD2-CD1 4.5Å; L70-I74 HydrophobicContact CG-CD1 3.89Å; L70-I74 WeakPolarHBondContact O-CG1 3.42Å; L70-I74 PolarHBondContact O-N 3.29Å; C71-I74 PolarHBondContact O-N 3.04Å; I74-Q76 PolarHBondContact O-N 3.48Å; I74-G77 WeakPolarHBondContact O-CA 3.46Å; I74-G77 PolarHBondContact O-N 3.48Å; I74-D78 WeakPolarHBondContact CA-O 3.32Å; I74-D78 PolarHBondContact N-O 2.83Å; I74-V79 HydrophobicContact CG1-CG2 4.36Å |
| 75 | D | 96 | Very high | 93.8 | Very high | 140 Ų | 140 | 77.3 Ų | 77.3 | 75% | 0.749 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.3 | -25.5 | 176.8 | -70.3 | -22.6 | 0 | 0 | 0 | 112.4 | C71 Y73 G77 | C71-D75 WeakPolarHBondContact O-CB 3.35Å; C71-D75 VanDerWaalsContact O-CG 3.23Å; C71-D75 PolarHBondContact O-N 3.46Å; Y73-D75 VanDerWaalsContact C-N 3.3Å; Y73-D75 PolarHBondContact O-N 2.95Å; D75-G77 VanDerWaalsContact C-N 3.29Å |
| 76 | Q | 95.9 | Very high | 93.5 | Very high | 151 Ų | 151 | 80.4 Ų | 80.4 | 71% | 0.706 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -0.8 | 173.1 | -65.4 | 168.7 | 25.8 | 0 | 0 | 112.9 | Q72 Y73 I74 D78 | Q72-Q76 VanDerWaalsContact O-CG 3.31Å; Q72-Q76 WeakPolarHBondContact O-CG 3.46Å; Q72-Q76 PolarHBondContact O-N 3.38Å; Q72-Q76 PolarHBondContact O-NE2 2.94Å; Y73-Q76 CarbonylContact O-C 3.46Å; Y73-Q76 WeakPolarHBondContact O-CA 3.42Å; Y73-Q76 WeakPolarHBondContact O-CB 3.34Å; Y73-Q76 PolarHBondContact O-N 2.88Å; I74-Q76 PolarHBondContact O-N 3.48Å; Q76-D78 VanDerWaalsContact C-N 3.34Å |
| 77 | G | 94.5 | Very high | 93.4 | Very high | 70 Ų | 70 | 79 Ų | 79 | 72% | 0.722 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 11.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y73 I74 D75 | Y73-G77 PolarHBondContact O-N 3.24Å; I74-G77 WeakPolarHBondContact O-CA 3.46Å; I74-G77 PolarHBondContact O-N 3.48Å; D75-G77 VanDerWaalsContact C-N 3.29Å |
| 78 | D | 93.4 | Very high | 93.1 | Very high | 86 Ų | 86 | 78.4 Ų | 78.4 | 46% | 0.46 | 44% | 0.442 | S | S | . | . | trans | -105.8 | 141 | 177.1 | -168.5 | 12.1 | 0 | 0 | 0 | 110.8 | Y73 I74 Q76 | Y73-D78 CarbonylContact C-O 3.52Å; Y73-D78 HydrophobicContact CD1-CB 4.39Å; Y73-D78 PolarHBondContact O-N 3.15Å; I74-D78 WeakPolarHBondContact CA-O 3.32Å; I74-D78 PolarHBondContact N-O 2.83Å; Q76-D78 VanDerWaalsContact C-N 3.34Å | ||
| 79 | V | 91 | Very high | 92.7 | Very high | 79 Ų | 79 | 77.2 Ų | 77.2 | 48% | 0.479 | 44% | 0.435 | S | S | . | . | trans | -127.1 | 84.6 | 179.1 | -173.9 | 0 | 0 | 0 | 0 | 108.6 | I74 V81 L84 | I74-V79 HydrophobicContact CG1-CG2 4.36Å; V79-V81 PolarHBondContact O-N 3.42Å; V79-V81 VanDerWaalsContact O-N 3.11Å; V79-L84 HydrophobicContact CG1-CD1 3.7Å; V79-L84 HydrophobicContact CG1-CG 4.4Å | ||
| 80 | P | 90.6 | Very high | 92 | Very high | 23 Ų | 23 | 79 Ų | 79 | 15% | 0.149 | 46% | 0.457 | C | S | . | . | trans | -69.8 | 110.6 | -176.9 | 24.3 | -32 | 0 | 0 | 0 | 111.3 | L70 Y73 S82 L83 L84 | L70-P80 HydrophobicContact CD1-CG 4.47Å; Y73-P80 HydrophobicContact CD1-CG 4.06Å; Y73-P80 HydrophobicContact CD2-CG 3.95Å; Y73-P80 HydrophobicContact CG-CG 3.7Å; P80-S82 PolarHBondContact O-N 2.94Å; P80-L83 HydrophobicContact CB-CB 4.18Å; P80-L83 HydrophobicContact CG-CB 3.83Å; P80-L83 HydrophobicContact CG-CD2 4.05Å; P80-L83 WeakPolarHBondContact O-CB 3.5Å; P80-L83 PolarHBondContact O-N 3.03Å; P80-L84 PolarHBondContact O-N 2.79Å | ||
| 81 | V | 91.1 | Very high | 90.7 | Very high | 89 Ų | 89 | 86.2 Ų | 86.2 | 54% | 0.539 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -53.7 | -40.2 | 178.2 | -179.5 | 0 | 0 | 0 | 0 | 112 | V79 L83 L84 E85 | V79-V81 PolarHBondContact O-N 3.42Å; V79-V81 VanDerWaalsContact O-N 3.11Å; V81-L83 PolarHBondContact O-N 3.14Å; V81-L84 WeakPolarHBondContact O-CB 3.41Å; V81-L84 PolarHBondContact O-N 3.03Å; V81-L84 VanDerWaalsContact O-N 3.16Å; V81-E85 PolarHBondContact O-N 3.45Å |
| 82 | S | 90.7 | Very high | 90.5 | Very high | 67 Ų | 67 | 87.2 Ų | 87.2 | 47% | 0.469 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -28.9 | 178.4 | 67.1 | 0 | 0 | 0 | 0 | 113.6 | P80 K86 | P80-S82 PolarHBondContact O-N 2.94Å; S82-K86 VanDerWaalsContact O-CG 3.26Å; S82-K86 WeakPolarHBondContact O-CG 3.19Å; S82-K86 PolarHBondContact O-N 2.89Å |
| 83 | L | 90.1 | Very high | 90.2 | Very high | 5 Ų | 5 | 85.5 Ų | 85.5 | 3% | 0.026 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -82.2 | -33.5 | 177.7 | -167.5 | 58.2 | 0 | 0 | 0 | 111.3 | E69 L70 Y73 P80 V81 K86 C87 | E69-L83 HydrophobicContact CB-CD2 4.33Å; E69-L83 HydrophobicContact CG-CD2 3.93Å; L70-L83 VanDerWaalsContact CA-CD2 3.47Å; L70-L83 HydrophobicContact CB-CD2 3.75Å; L70-L83 HydrophobicContact CB-CG 4.11Å; L70-L83 HydrophobicContact CD1-CB 4.29Å; L70-L83 HydrophobicContact CD1-CD2 4Å; L70-L83 HydrophobicContact CD1-CG 4.18Å; Y73-L83 HydrophobicContact CD2-CD2 3.8Å; Y73-L83 HydrophobicContact CE2-CD2 4.14Å; P80-L83 HydrophobicContact CB-CB 4.18Å; P80-L83 HydrophobicContact CG-CB 3.83Å; P80-L83 HydrophobicContact CG-CD2 4.05Å; P80-L83 WeakPolarHBondContact O-CB 3.5Å; P80-L83 PolarHBondContact O-N 3.03Å; V81-L83 PolarHBondContact O-N 3.14Å; L83-K86 HydrophobicContact CD1-CD 4.16Å; L83-K86 PolarHBondContact O-N 3.45Å; L83-C87 PolarHBondContact O-N 3.49Å; L83-C87 PolarHBondContact O-SG 3Å |
| 84 | L | 92.2 | Very high | 89.9 | Confident | 17 Ų | 17 | 85.7 Ų | 85.7 | 9% | 0.089 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -59.6 | -47.6 | 170.3 | -66.5 | 175.3 | 0 | 0 | 0 | 111.1 | L70 V79 P80 V81 K86 C87 G88 I89 V91 | L70-L84 HydrophobicContact CD1-CD2 3.91Å; L70-L84 HydrophobicContact CD1-CG 4.32Å; L70-L84 HydrophobicContact CD2-CD2 3.64Å; L70-L84 HydrophobicContact CG-CD2 4.41Å; V79-L84 HydrophobicContact CG1-CD1 3.7Å; V79-L84 HydrophobicContact CG1-CG 4.4Å; P80-L84 PolarHBondContact O-N 2.79Å; V81-L84 WeakPolarHBondContact O-CB 3.41Å; V81-L84 PolarHBondContact O-N 3.03Å; V81-L84 VanDerWaalsContact O-N 3.16Å; L84-K86 VanDerWaalsContact C-N 3.34Å; L84-K86 PolarHBondContact O-N 2.93Å; L84-C87 CarbonylContact O-C 3.52Å; L84-C87 WeakPolarHBondContact O-CA 3.46Å; L84-C87 PolarHBondContact O-N 3.16Å; L84-G88 PolarHBondContact O-N 3.5Å; L84-G88 VanDerWaalsContact O-N 3.15Å; L84-I89 CarbonylContact C-O 2.99Å; L84-I89 HydrophobicContact CB-CB 4.27Å; L84-I89 HydrophobicContact CD2-CB 4.21Å; L84-I89 HydrophobicContact CD2-CD1 3.96Å; L84-I89 HydrophobicContact CD2-CG2 4.12Å; L84-I89 PolarHBondContact O-N 3.5Å; L84-V91 HydrophobicContact CB-CG2 4.36Å; L84-V91 HydrophobicContact CD1-CG2 3.43Å; L84-V91 VanDerWaalsContact CD1-CG2 3.43Å; L84-V91 HydrophobicContact CG-CG2 4.48Å |
| 85 | E | 91.7 | Very high | 89.6 | Confident | 141 Ų | 141 | 85.9 Ų | 85.9 | 66% | 0.659 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58.3 | -44.3 | 174.9 | -71.1 | 177.5 | 178.7 | 0 | 0 | 111.9 | V81 C87 G88 | V81-E85 PolarHBondContact O-N 3.45Å; E85-C87 PolarHBondContact O-N 3Å; E85-G88 PolarHBondContact O-N 3.14Å |
| 86 | K | 90.7 | Very high | 89.2 | Confident | 136 Ų | 136 | 82.6 Ų | 82.6 | 59% | 0.591 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.1 | -29.2 | 176.2 | -75.7 | 170.7 | -174.7 | 173.3 | 0 | 113.5 | S82 L83 L84 G88 | S82-K86 VanDerWaalsContact O-CG 3.26Å; S82-K86 WeakPolarHBondContact O-CG 3.19Å; S82-K86 PolarHBondContact O-N 2.89Å; L83-K86 HydrophobicContact CD1-CD 4.16Å; L83-K86 PolarHBondContact O-N 3.45Å; L84-K86 VanDerWaalsContact C-N 3.34Å; L84-K86 PolarHBondContact O-N 2.93Å; K86-G88 VanDerWaalsContact C-N 3.27Å |
| 87 | C | 91.7 | Very high | 88.8 | Confident | 36 Ų | 36 | 78 Ų | 78 | 24% | 0.243 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -4.2 | 174.5 | -64.4 | 0 | 0 | 0 | 0 | 112.5 | L67 L83 L84 E85 I89 | L67-C87 HydrophobicContact CD2-CB 4.17Å; L83-C87 PolarHBondContact O-N 3.49Å; L83-C87 PolarHBondContact O-SG 3Å; L84-C87 CarbonylContact O-C 3.52Å; L84-C87 WeakPolarHBondContact O-CA 3.46Å; L84-C87 PolarHBondContact O-N 3.16Å; E85-C87 PolarHBondContact O-N 3Å; C87-I89 VanDerWaalsContact C-N 3.25Å; C87-I89 HydrophobicContact CB-CD1 3.79Å; C87-I89 HydrophobicContact CB-CG1 3.95Å |
| 88 | G | 89.9 | Confident | 88.4 | Confident | 70 Ų | 70 | 78.6 Ų | 78.6 | 72% | 0.722 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 19.8 | -175 | 0 | 0 | 0 | 0 | 0 | 113.2 | L84 E85 K86 | L84-G88 PolarHBondContact O-N 3.5Å; L84-G88 VanDerWaalsContact O-N 3.15Å; E85-G88 PolarHBondContact O-N 3.14Å; K86-G88 VanDerWaalsContact C-N 3.27Å |
| 89 | I | 88.5 | Confident | 88 | Confident | 71 Ų | 71 | 78 Ų | 78 | 36% | 0.364 | 47% | 0.472 | S | S | . | . | trans | -90.8 | 105.3 | 176.3 | -57.2 | 167.8 | 0 | 0 | 0 | 106.4 | L67 L70 L84 C87 | L67-I89 HydrophobicContact CD2-CD1 4.44Å; L70-I89 HydrophobicContact CD2-CD1 3.96Å; L84-I89 CarbonylContact C-O 2.99Å; L84-I89 HydrophobicContact CB-CB 4.27Å; L84-I89 HydrophobicContact CD2-CB 4.21Å; L84-I89 HydrophobicContact CD2-CD1 3.96Å; L84-I89 HydrophobicContact CD2-CG2 4.12Å; L84-I89 PolarHBondContact O-N 3.5Å; C87-I89 VanDerWaalsContact C-N 3.25Å; C87-I89 HydrophobicContact CB-CD1 3.79Å; C87-I89 HydrophobicContact CB-CG1 3.95Å | ||
| 90 | S | 79.7 | Confident | 87.7 | Confident | 119 Ų | 119 | 77.9 Ų | 77.9 | 83% | 0.832 | 47% | 0.472 | S | S | * | . | trans | -75.3 | 130.3 | 169.1 | -168.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 91 | V | 66.1 | Low | 87.5 | Confident | 161 Ų | 161 | 82.9 Ų | 82.9 | 98% | 0.976 | 50% | 0.501 | S | S | * | . | trans | -96.5 | 0 | 167.6 | -170.2 | 0 | 0 | 0 | 0 | 109.3 | L84 | L84-V91 HydrophobicContact CB-CG2 4.36Å; L84-V91 HydrophobicContact CD1-CG2 3.43Å; L84-V91 VanDerWaalsContact CD1-CG2 3.43Å; L84-V91 HydrophobicContact CG-CG2 4.48Å |
Retrieved 91 of 91 residues in 76.1 ms
(Link to these results)