| 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 | 44.5 | Very low | 51.8 | Low | 248 Ų | 248 | 159.2 Ų | 159.2 | 100% | 1.222 | 83% | 0.828 | S | S | * | * | 0 | 98.7 | 0 | -90.6 | 177.2 | 176.2 | 0 | 0 | 108.4 | |||||
| 2 | E | 44.1 | Very low | 52.1 | Low | 195 Ų | 195 | 150 Ų | 150 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | trans | -86.4 | 128.5 | 175.5 | -77.9 | 179.8 | 102.9 | 0 | 0 | 110.5 | K4 | E2-K4 PolarHBondContact O-N 3.25Š| ||
| 3 | R | 51.3 | Low | 52.4 | Low | 248 Ų | 248 | 152.5 Ų | 152.5 | 94% | 0.936 | 79% | 0.792 | S | S | * | * | trans | -82.4 | 108.8 | 172.9 | -74.4 | -174.1 | 176.3 | -159.1 | 0.1 | 109.3 | K5 | R3-K5 PolarHBondContact O-N 3.45Š| ||
| 4 | K | 51.5 | Low | 52.8 | Low | 202 Ų | 202 | 144.9 Ų | 144.9 | 88% | 0.878 | 77% | 0.769 | S | S | * | * | trans | -70.5 | 110.5 | 165.4 | -72.2 | -175.6 | 177.7 | 179.7 | 0 | 108.9 | E2 S6 | E2-K4 PolarHBondContact O-N 3.25Å; K4-S6 PolarHBondContact O-N 3.22Å | ||
| 5 | K | 54.7 | Low | 53.3 | Low | 202 Ų | 202 | 147.6 Ų | 147.6 | 88% | 0.878 | 77% | 0.765 | S | S | * | * | trans | -67 | 108.4 | 165.2 | -89.1 | -178.7 | 175.3 | 178.5 | 0 | 108 | R3 T7 | R3-K5 PolarHBondContact O-N 3.45Å; K5-T7 PolarHBondContact O-N 3.09Å | ||
| 6 | S | 55.1 | Low | 53.6 | Low | 114 Ų | 114 | 146.6 Ų | 146.6 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | -73.2 | 106.3 | 164.3 | 47.9 | 0 | 0 | 0 | 0 | 108.5 | K4 G8 | K4-S6 PolarHBondContact O-N 3.22Å; S6-G8 PolarHBondContact O-N 3.24Å | ||
| 7 | T | 57.6 | Low | 54 | Low | 140 Ų | 140 | 149.7 Ų | 149.7 | 86% | 0.859 | 76% | 0.755 | S | S | * | * | trans | -67.1 | 85.9 | 162.9 | 22.6 | 0 | 0 | 0 | 0 | 107.9 | K5 G9 | K5-T7 PolarHBondContact O-N 3.09Å; T7-G9 PolarHBondContact O-N 2.89Å | ||
| 8 | G | 50.1 | Low | 54.3 | Low | 53 Ų | 53 | 148.6 Ų | 148.6 | 55% | 0.546 | 75% | 0.747 | S | S | . | * | trans | -51.8 | 125 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110 | S6 W10 | S6-G8 PolarHBondContact O-N 3.24Å; G8-W10 VanDerWaalsContact O-CD1 3.26Å; G8-W10 PolarHBondContact O-N 3.26Å; G8-W10 VanDerWaalsContact O-N 3.09Å | ||
| 9 | G | 56.3 | Low | 54.6 | Low | 79 Ų | 79 | 149.6 Ų | 149.6 | 81% | 0.814 | 74% | 0.741 | S | S | * | * | trans | -70.4 | 98.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T7 G11 | T7-G9 PolarHBondContact O-N 2.89Å; G9-G11 VanDerWaalsContact C-N 3.26Å; G9-G11 PolarHBondContact O-N 3Å | ||
| 10 | W | 53.6 | Low | 54.8 | Low | 233 Ų | 233 | 148.1 Ų | 148.1 | 88% | 0.883 | 73% | 0.732 | S | S | * | * | trans | -91.1 | 35.4 | 168.8 | -71.9 | 80.4 | 0 | 0 | 0 | 112 | G8 | G8-W10 VanDerWaalsContact O-CD1 3.26Å; G8-W10 PolarHBondContact O-N 3.26Å; G8-W10 VanDerWaalsContact O-N 3.09Å | ||
| 11 | G | 51.4 | Low | 54.9 | Low | 37 Ų | 37 | 143.4 Ų | 143.4 | 38% | 0.381 | 72% | 0.717 | S | S | . | * | trans | -111.1 | -6.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | G9 R15 | G9-G11 VanDerWaalsContact C-N 3.26Å; G9-G11 PolarHBondContact O-N 3Å; G11-R15 PolarHBondContact O-NE 3.35Å | ||
| 12 | G | 55 | Low | 55.3 | Low | 49 Ų | 49 | 136 Ų | 136 | 51% | 0.505 | 68% | 0.681 | S | S | . | * | S | Bend | trans | -95.1 | -44.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | G14 E16 | G12-G14 PolarHBondContact O-N 3.37Å; G12-E16 PolarHBondContact O-N 3.45Å |
| 13 | R | 56.7 | Low | 56 | Low | 182 Ų | 182 | 132 Ų | 132 | 69% | 0.687 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -72.9 | -26.2 | -168.9 | -67.2 | -171.9 | -71.5 | -117.5 | 1.2 | 115.2 | R17 | R13-R17 PolarHBondContact O-N 3.39Å |
| 14 | G | 58.1 | Low | 56.3 | Low | 46 Ų | 46 | 124.4 Ų | 124.4 | 47% | 0.474 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -71.7 | -45 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G12 E16 R17 E18 | G12-G14 PolarHBondContact O-N 3.37Å; G14-E16 VanDerWaalsContact C-N 3.3Å; G14-E16 PolarHBondContact O-N 3.41Å; G14-R17 PolarHBondContact O-N 3.04Å; G14-E18 WeakPolarHBondContact O-CG 3.46Å; G14-E18 PolarHBondContact O-N 3.42Å |
| 15 | R | 59.4 | Low | 56.6 | Low | 186 Ų | 186 | 122.9 Ų | 122.9 | 70% | 0.702 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.6 | -33.5 | 178.5 | -66 | -171 | -118.3 | -153.3 | -4.3 | 112.5 | G11 R19 | G11-R15 PolarHBondContact O-NE 3.35Å; R15-R19 WeakPolarHBondContact O-CB 3.37Å; R15-R19 PolarHBondContact O-N 2.95Å |
| 16 | E | 58.5 | Low | 57.1 | Low | 131 Ų | 131 | 116.3 Ų | 116.3 | 61% | 0.612 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68.9 | -43.3 | 178.1 | -156.6 | 165.6 | -155.6 | 0 | 0 | 111.5 | G12 G14 R19 E20 | G12-E16 PolarHBondContact O-N 3.45Å; G14-E16 VanDerWaalsContact C-N 3.3Å; G14-E16 PolarHBondContact O-N 3.41Å; E16-R19 WeakPolarHBondContact O-CB 3.49Å; E16-R19 PolarHBondContact O-N 2.89Å; E16-E20 WeakPolarHBondContact O-CG 3.43Å; E16-E20 PolarHBondContact O-N 3.46Å |
| 17 | R | 60.2 | Low | 57.4 | Low | 200 Ų | 200 | 115.2 Ų | 115.2 | 76% | 0.755 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.4 | -41.4 | 172 | -83.4 | -174.6 | 177.4 | -172.1 | -0.9 | 113.3 | R13 G14 R19 E20 A21 | R13-R17 PolarHBondContact O-N 3.39Å; G14-R17 PolarHBondContact O-N 3.04Å; R17-R19 VanDerWaalsContact C-N 3.29Å; R17-R19 PolarHBondContact O-N 2.9Å; R17-E20 PolarHBondContact O-N 3.27Å; R17-A21 WeakPolarHBondContact O-CB 3.48Å; R17-A21 PolarHBondContact O-N 2.98Å |
| 18 | E | 59.5 | Low | 57.8 | Low | 129 Ų | 129 | 112.7 Ų | 112.7 | 60% | 0.603 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.2 | -39.4 | 175.1 | -76.3 | 174.5 | 178.1 | 0 | 0 | 111.5 | G14 A21 L22 | G14-E18 WeakPolarHBondContact O-CG 3.46Å; G14-E18 PolarHBondContact O-N 3.42Å; E18-A21 PolarHBondContact O-N 3.36Å; E18-L22 WeakPolarHBondContact O-CB 3.43Å; E18-L22 WeakPolarHBondContact O-CD1 3.33Å; E18-L22 WeakPolarHBondContact O-CG 3.34Å; E18-L22 PolarHBondContact O-N 3.32Å |
| 19 | R | 59.9 | Low | 58.7 | Low | 168 Ų | 168 | 116.2 Ų | 116.2 | 63% | 0.634 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.8 | -39.2 | 176.1 | -161.3 | 178.6 | -154.3 | -139 | 2.2 | 112.2 | R15 E16 R17 L22 K23 | R15-R19 WeakPolarHBondContact O-CB 3.37Å; R15-R19 PolarHBondContact O-N 2.95Å; E16-R19 WeakPolarHBondContact O-CB 3.49Å; E16-R19 PolarHBondContact O-N 2.89Å; R17-R19 VanDerWaalsContact C-N 3.29Å; R17-R19 PolarHBondContact O-N 2.9Å; R19-L22 PolarHBondContact O-N 3.02Å; R19-K23 VanDerWaalsContact O-CG 3.26Å; R19-K23 WeakPolarHBondContact O-CG 3.44Å; R19-K23 PolarHBondContact O-N 3.49Å |
| 20 | E | 57.7 | Low | 59.3 | Low | 119 Ų | 119 | 115.5 Ų | 115.5 | 56% | 0.556 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.6 | -42.7 | 174.6 | -72.9 | -166.2 | 144.6 | 0 | 0 | 112.1 | E16 R17 L22 K23 V24 | E16-E20 WeakPolarHBondContact O-CG 3.43Å; E16-E20 PolarHBondContact O-N 3.46Å; R17-E20 PolarHBondContact O-N 3.27Å; E20-L22 VanDerWaalsContact C-N 3.32Å; E20-L22 PolarHBondContact O-N 3.03Å; E20-K23 WeakPolarHBondContact O-CB 3.22Å; E20-K23 PolarHBondContact O-N 3.35Å; E20-K23 VanDerWaalsContact O-N 3.16Å; E20-V24 WeakPolarHBondContact O-CG2 3.41Å; E20-V24 PolarHBondContact O-N 2.93Å |
| 21 | A | 57 | Low | 60.2 | Low | 50 Ų | 50 | 106.3 Ų | 106.3 | 41% | 0.413 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R17 E18 V24 R25 | R17-A21 WeakPolarHBondContact O-CB 3.48Å; R17-A21 PolarHBondContact O-N 2.98Å; E18-A21 PolarHBondContact O-N 3.36Å; A21-V24 PolarHBondContact O-N 3.44Å; A21-R25 WeakPolarHBondContact O-CG 3.34Å; A21-R25 PolarHBondContact O-N 3.36Å |
| 22 | L | 53.7 | Low | 61.1 | Low | 92 Ų | 92 | 108.3 Ų | 108.3 | 48% | 0.482 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 173.1 | -84.6 | 160.2 | 0 | 0 | 0 | 112.4 | E18 R19 E20 R25 S26 | E18-L22 WeakPolarHBondContact O-CB 3.43Å; E18-L22 WeakPolarHBondContact O-CD1 3.33Å; E18-L22 WeakPolarHBondContact O-CG 3.34Å; E18-L22 PolarHBondContact O-N 3.32Å; R19-L22 PolarHBondContact O-N 3.02Å; E20-L22 VanDerWaalsContact C-N 3.32Å; E20-L22 PolarHBondContact O-N 3.03Å; L22-R25 PolarHBondContact O-N 2.87Å; L22-S26 WeakPolarHBondContact O-CB 3.49Å; L22-S26 PolarHBondContact O-N 2.98Å; L22-S26 PolarHBondContact O-OG 3.01Å |
| 23 | K | 59.1 | Low | 61.8 | Low | 111 Ų | 111 | 110.1 Ų | 110.1 | 48% | 0.483 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65 | -42.5 | 175.6 | -75.3 | 171.6 | -179.2 | -179.3 | 0 | 112.1 | R19 E20 S26 T27 | R19-K23 VanDerWaalsContact O-CG 3.26Å; R19-K23 WeakPolarHBondContact O-CG 3.44Å; R19-K23 PolarHBondContact O-N 3.49Å; E20-K23 WeakPolarHBondContact O-CB 3.22Å; E20-K23 PolarHBondContact O-N 3.35Å; E20-K23 VanDerWaalsContact O-N 3.16Å; K23-S26 PolarHBondContact O-N 3.16Å; K23-S26 PolarHBondContact O-OG 2.93Å; K23-T27 WeakPolarHBondContact O-CG2 3.48Å; K23-T27 PolarHBondContact O-N 3.02Å; K23-T27 PolarHBondContact O-OG1 3.43Å |
| 24 | V | 58.3 | Low | 62.3 | Low | 90 Ų | 90 | 109.3 Ų | 109.3 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 176.7 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | E20 A21 S26 T27 V28 | E20-V24 WeakPolarHBondContact O-CG2 3.41Å; E20-V24 PolarHBondContact O-N 2.93Å; A21-V24 PolarHBondContact O-N 3.44Å; V24-S26 PolarHBondContact O-N 2.96Å; V24-T27 WeakPolarHBondContact CA-OG1 3.37Å; V24-T27 PolarHBondContact O-N 3.48Å; V24-T27 PolarHBondContact O-OG1 3.43Å; V24-V28 HydrophobicContact CG1-CG2 4.45Å; V24-V28 WeakPolarHBondContact O-CB 3.44Å; V24-V28 WeakPolarHBondContact O-CG2 3.37Å; V24-V28 PolarHBondContact O-N 3.49Å |
| 25 | R | 57.8 | Low | 62.8 | Low | 170 Ų | 170 | 115.2 Ų | 115.2 | 64% | 0.642 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.5 | -39.6 | 175.7 | -70.9 | -173.2 | -43.9 | -163.9 | 9.8 | 112.3 | A21 L22 W29 | A21-R25 WeakPolarHBondContact O-CG 3.34Å; A21-R25 PolarHBondContact O-N 3.36Å; L22-R25 PolarHBondContact O-N 2.87Å; R25-W29 WeakPolarHBondContact O-CB 3.34Å; R25-W29 PolarHBondContact O-N 2.93Å |
| 26 | S | 63.6 | Low | 63.2 | Low | 63 Ų | 63 | 110.5 Ų | 110.5 | 44% | 0.441 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.6 | -37.8 | 179 | 71.7 | 0 | 0 | 0 | 0 | 112.5 | L22 K23 V24 W29 V30 | L22-S26 WeakPolarHBondContact O-CB 3.49Å; L22-S26 PolarHBondContact O-N 2.98Å; L22-S26 PolarHBondContact O-OG 3.01Å; K23-S26 PolarHBondContact O-N 3.16Å; K23-S26 PolarHBondContact O-OG 2.93Å; V24-S26 PolarHBondContact O-N 2.96Å; S26-W29 PolarHBondContact O-N 3.21Å; S26-V30 WeakPolarHBondContact O-CB 3.26Å; S26-V30 VanDerWaalsContact O-CG2 3.25Å; S26-V30 WeakPolarHBondContact O-CG2 3.45Å; S26-V30 PolarHBondContact O-N 2.9Å |
| 27 | T | 62.4 | Low | 63.6 | Low | 91 Ų | 91 | 109.4 Ų | 109.4 | 56% | 0.558 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -70 | -37.8 | 176.4 | 52.6 | 0 | 0 | 0 | 0 | 112.4 | K23 V24 G31 | K23-T27 WeakPolarHBondContact O-CG2 3.48Å; K23-T27 PolarHBondContact O-N 3.02Å; K23-T27 PolarHBondContact O-OG1 3.43Å; V24-T27 WeakPolarHBondContact CA-OG1 3.37Å; V24-T27 PolarHBondContact O-N 3.48Å; V24-T27 PolarHBondContact O-OG1 3.43Å; T27-G31 PolarHBondContact O-N 2.97Å |
| 28 | V | 64.6 | Low | 63.9 | Low | 88 Ų | 88 | 106.3 Ų | 106.3 | 53% | 0.533 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 173.2 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | V24 V30 G31 V32 | V24-V28 HydrophobicContact CG1-CG2 4.45Å; V24-V28 WeakPolarHBondContact O-CB 3.44Å; V24-V28 WeakPolarHBondContact O-CG2 3.37Å; V24-V28 PolarHBondContact O-N 3.49Å; V28-V30 PolarHBondContact O-N 3.25Å; V28-G31 PolarHBondContact O-N 3.32Å; V28-V32 HydrophobicContact CG1-CG2 4.48Å; V28-V32 WeakPolarHBondContact O-CG2 3.25Å; V28-V32 PolarHBondContact O-N 3.39Å |
| 29 | W | 69.3 | Low | 64 | Low | 127 Ų | 127 | 104.4 Ų | 104.4 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.7 | -49.1 | 176.6 | -178.4 | -95.3 | 0 | 0 | 0 | 112.2 | R25 S26 G31 V32 Q33 V59 I61 | R25-W29 WeakPolarHBondContact O-CB 3.34Å; R25-W29 PolarHBondContact O-N 2.93Å; S26-W29 PolarHBondContact O-N 3.21Å; W29-G31 VanDerWaalsContact C-N 3.3Å; W29-G31 PolarHBondContact O-N 2.94Å; W29-V32 PolarHBondContact O-N 3.24Å; W29-Q33 WeakPolarHBondContact O-CB 3.48Å; W29-Q33 PolarHBondContact O-N 2.99Å; W29-V59 HydrophobicContact CH2-CG1 4.36Å; W29-I61 HydrophobicContact CH2-CD1 3.37Å; W29-I61 HydrophobicContact CH2-CG1 3.9Å; W29-I61 HydrophobicContact CZ2-CD1 4.13Å; W29-I61 HydrophobicContact CZ3-CD1 3.81Å; W29-I61 HydrophobicContact CZ3-CG1 4.23Å |
| 30 | V | 69.8 | Low | 64 | Low | 64 Ų | 64 | 99.4 Ų | 99.4 | 39% | 0.388 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.5 | -35.6 | 178.3 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | S26 V28 R34 | S26-V30 WeakPolarHBondContact O-CB 3.26Å; S26-V30 VanDerWaalsContact O-CG2 3.25Å; S26-V30 WeakPolarHBondContact O-CG2 3.45Å; S26-V30 PolarHBondContact O-N 2.9Å; V28-V30 PolarHBondContact O-N 3.25Å; V30-R34 HydrophobicContact CG1-CG 4.47Å; V30-R34 WeakPolarHBondContact O-CB 3.44Å; V30-R34 WeakPolarHBondContact O-CG 3.45Å; V30-R34 PolarHBondContact O-N 3.05Å |
| 31 | G | 71.8 | Confident | 64 | Low | 40 Ų | 40 | 103.3 Ų | 103.3 | 41% | 0.412 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T27 V28 W29 R35 | T27-G31 PolarHBondContact O-N 2.97Å; V28-G31 PolarHBondContact O-N 3.32Å; W29-G31 VanDerWaalsContact C-N 3.3Å; W29-G31 PolarHBondContact O-N 2.94Å; G31-R35 WeakPolarHBondContact O-CB 3.11Å; G31-R35 PolarHBondContact O-N 3.05Å |
| 32 | V | 70.3 | Confident | 64.1 | Low | 78 Ų | 78 | 104.9 Ų | 104.9 | 47% | 0.473 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 175.3 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | V28 W29 R35 L36 | V28-V32 HydrophobicContact CG1-CG2 4.48Å; V28-V32 WeakPolarHBondContact O-CG2 3.25Å; V28-V32 PolarHBondContact O-N 3.39Å; W29-V32 PolarHBondContact O-N 3.24Å; V32-R35 PolarHBondContact O-N 2.9Å; V32-L36 HydrophobicContact CG1-CD1 4.06Å; V32-L36 WeakPolarHBondContact O-CG 3.38Å; V32-L36 PolarHBondContact O-N 3.49Å |
| 33 | Q | 69.4 | Low | 64.2 | Low | 88 Ų | 88 | 106.7 Ų | 106.7 | 41% | 0.411 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 177.2 | -173.3 | -178.4 | -31.6 | 0 | 0 | 111.7 | W29 R35 L36 E37 | W29-Q33 WeakPolarHBondContact O-CB 3.48Å; W29-Q33 PolarHBondContact O-N 2.99Å; Q33-R35 VanDerWaalsContact C-N 3.31Å; Q33-R35 PolarHBondContact O-N 3.26Å; Q33-L36 PolarHBondContact O-N 3.48Å; Q33-E37 PolarHBondContact NE2-OE1 3.46Å; Q33-E37 WeakPolarHBondContact O-CG 3.5Å; Q33-E37 PolarHBondContact O-N 3.31Å |
| 34 | R | 68.3 | Low | 63.9 | Low | 164 Ų | 164 | 104.4 Ų | 104.4 | 62% | 0.619 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62 | -37.4 | 176.9 | -78.6 | -177.5 | -177.8 | -174.4 | 1.6 | 112.8 | V30 E37 Q38 | V30-R34 HydrophobicContact CG1-CG 4.47Å; V30-R34 WeakPolarHBondContact O-CB 3.44Å; V30-R34 WeakPolarHBondContact O-CG 3.45Å; V30-R34 PolarHBondContact O-N 3.05Å; R34-E37 PolarHBondContact O-N 3.25Å; R34-Q38 WeakPolarHBondContact O-CB 3.38Å; R34-Q38 WeakPolarHBondContact O-CG 3.35Å; R34-Q38 PolarHBondContact O-N 2.91Å |
| 35 | R | 68.6 | Low | 63.4 | Low | 170 Ų | 170 | 110.7 Ų | 110.7 | 64% | 0.642 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.2 | -42.5 | 177.4 | -172 | 173.8 | 179 | 163.6 | 3.5 | 111.1 | G31 V32 Q33 Q38 E39 | G31-R35 WeakPolarHBondContact O-CB 3.11Å; G31-R35 PolarHBondContact O-N 3.05Å; V32-R35 PolarHBondContact O-N 2.9Å; Q33-R35 VanDerWaalsContact C-N 3.31Å; Q33-R35 PolarHBondContact O-N 3.26Å; R35-Q38 PolarHBondContact O-N 2.92Å; R35-E39 IonicContact NE-OE1 3.51Å; R35-E39 WeakPolarHBondContact O-CG 3.34Å; R35-E39 PolarHBondContact O-N 3.35Å |
| 36 | L | 67.9 | Low | 63.2 | Low | 88 Ų | 88 | 109.4 Ų | 109.4 | 46% | 0.461 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 173.7 | -74.7 | 166.6 | 0 | 0 | 0 | 111.4 | V32 Q33 Q38 E39 M40 | V32-L36 HydrophobicContact CG1-CD1 4.06Å; V32-L36 WeakPolarHBondContact O-CG 3.38Å; V32-L36 PolarHBondContact O-N 3.49Å; Q33-L36 PolarHBondContact O-N 3.48Å; L36-Q38 VanDerWaalsContact C-N 3.28Å; L36-Q38 PolarHBondContact O-N 2.88Å; L36-E39 PolarHBondContact O-N 3.38Å; L36-M40 VanDerWaalsContact O-CB 3.3Å; L36-M40 WeakPolarHBondContact O-CB 3.3Å; L36-M40 WeakPolarHBondContact O-CG 3.4Å; L36-M40 PolarHBondContact O-N 2.87Å |
| 37 | E | 66.5 | Low | 62.7 | Low | 108 Ų | 108 | 111.9 Ų | 111.9 | 51% | 0.505 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -57.4 | -40 | 175.9 | -73.5 | 170.6 | -177.1 | 0 | 0 | 112.1 | Q33 R34 R41 | Q33-E37 PolarHBondContact NE2-OE1 3.46Å; Q33-E37 WeakPolarHBondContact O-CG 3.5Å; Q33-E37 PolarHBondContact O-N 3.31Å; R34-E37 PolarHBondContact O-N 3.25Å; E37-R41 WeakPolarHBondContact O-CB 3.35Å; E37-R41 PolarHBondContact O-N 3Å |
| 38 | Q | 66.3 | Low | 62.1 | Low | 135 Ų | 135 | 111 Ų | 111 | 63% | 0.631 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.5 | -46.1 | 176.3 | -77.8 | -176.5 | -11.4 | 0 | 0 | 112.7 | R34 R35 L36 M40 R41 V42 | R34-Q38 WeakPolarHBondContact O-CB 3.38Å; R34-Q38 WeakPolarHBondContact O-CG 3.35Å; R34-Q38 PolarHBondContact O-N 2.91Å; R35-Q38 PolarHBondContact O-N 2.92Å; L36-Q38 VanDerWaalsContact C-N 3.28Å; L36-Q38 PolarHBondContact O-N 2.88Å; Q38-M40 VanDerWaalsContact C-N 3.3Å; Q38-M40 PolarHBondContact O-N 2.94Å; Q38-R41 PolarHBondContact O-N 2.88Å; Q38-V42 WeakPolarHBondContact O-CB 3.49Å; Q38-V42 VanDerWaalsContact O-CG2 3.28Å; Q38-V42 WeakPolarHBondContact O-CG2 3.31Å; Q38-V42 PolarHBondContact O-N 2.91Å |
| 39 | E | 60.9 | Low | 61.6 | Low | 88 Ų | 88 | 110.1 Ų | 110.1 | 41% | 0.411 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.4 | -40 | 177.6 | -75.3 | -175.1 | -168.4 | 0 | 0 | 111.3 | R35 L36 V42 K43 | R35-E39 IonicContact NE-OE1 3.51Å; R35-E39 WeakPolarHBondContact O-CG 3.34Å; R35-E39 PolarHBondContact O-N 3.35Å; L36-E39 PolarHBondContact O-N 3.38Å; E39-V42 PolarHBondContact O-N 3.36Å; E39-K43 WeakPolarHBondContact O-CB 3.28Å; E39-K43 WeakPolarHBondContact O-CG 3.47Å; E39-K43 PolarHBondContact O-N 3.48Å |
| 40 | M | 59.8 | Low | 60.4 | Low | 63 Ų | 63 | 110.2 Ų | 110.2 | 31% | 0.31 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.3 | -42 | 176 | -67.4 | -64.8 | -80.3 | 0 | 0 | 111.9 | L36 Q38 V42 K43 S44 Y57 | L36-M40 VanDerWaalsContact O-CB 3.3Å; L36-M40 WeakPolarHBondContact O-CB 3.3Å; L36-M40 WeakPolarHBondContact O-CG 3.4Å; L36-M40 PolarHBondContact O-N 2.87Å; Q38-M40 VanDerWaalsContact C-N 3.3Å; Q38-M40 PolarHBondContact O-N 2.94Å; M40-V42 VanDerWaalsContact C-N 3.35Å; M40-V42 PolarHBondContact O-N 2.95Å; M40-K43 PolarHBondContact O-N 3.42Å; M40-S44 VanDerWaalsContact O-CB 3.31Å; M40-S44 WeakPolarHBondContact O-CB 3.33Å; M40-S44 PolarHBondContact O-N 2.92Å; M40-Y57 HydrophobicContact CE-CD2 3.64Å; M40-Y57 HydrophobicContact CE-CE1 4.31Å; M40-Y57 HydrophobicContact CE-CE2 3Å; M40-Y57 HydrophobicContact SD-CE2 4.33Å |
| 41 | R | 58.8 | Low | 59.6 | Low | 201 Ų | 201 | 115.7 Ų | 115.7 | 76% | 0.758 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.7 | -38.7 | 174.7 | -174.4 | 178.1 | -178.2 | -177.7 | 1.6 | 112.3 | E37 Q38 R45 | E37-R41 WeakPolarHBondContact O-CB 3.35Å; E37-R41 PolarHBondContact O-N 3Å; Q38-R41 PolarHBondContact O-N 2.88Å; R41-R45 WeakPolarHBondContact O-CB 3.2Å; R41-R45 PolarHBondContact O-N 2.87Å |
| 42 | V | 58.4 | Low | 58.4 | Low | 84 Ų | 84 | 118.6 Ų | 118.6 | 51% | 0.509 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.5 | -44.9 | 176.4 | 170 | 0 | 0 | 0 | 0 | 110.5 | Q38 E39 M40 S44 R45 L46 | Q38-V42 WeakPolarHBondContact O-CB 3.49Å; Q38-V42 VanDerWaalsContact O-CG2 3.28Å; Q38-V42 WeakPolarHBondContact O-CG2 3.31Å; Q38-V42 PolarHBondContact O-N 2.91Å; E39-V42 PolarHBondContact O-N 3.36Å; M40-V42 VanDerWaalsContact C-N 3.35Å; M40-V42 PolarHBondContact O-N 2.95Å; V42-S44 PolarHBondContact O-N 3.22Å; V42-R45 PolarHBondContact O-N 3.48Å; V42-L46 HydrophobicContact CG1-CD1 3.96Å; V42-L46 WeakPolarHBondContact O-CG 3.47Å; V42-L46 PolarHBondContact O-N 3.07Å; V42-L46 VanDerWaalsContact O-N 3.07Å |
| 43 | K | 55.4 | Low | 57.5 | Low | 130 Ų | 130 | 118 Ų | 118 | 57% | 0.565 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61 | -43.1 | 175.2 | -75.4 | 176.6 | 179.8 | 177 | 0 | 112.1 | E39 M40 R45 L46 V47 | E39-K43 WeakPolarHBondContact O-CB 3.28Å; E39-K43 WeakPolarHBondContact O-CG 3.47Å; E39-K43 PolarHBondContact O-N 3.48Å; M40-K43 PolarHBondContact O-N 3.42Å; K43-R45 VanDerWaalsContact C-N 3.32Å; K43-R45 PolarHBondContact O-N 2.89Å; K43-L46 PolarHBondContact O-N 3.31Å; K43-V47 PolarHBondContact O-N 3.45Å; K43-V47 VanDerWaalsContact O-N 3.11Å |
| 44 | S | 52.8 | Low | 56.5 | Low | 62 Ų | 62 | 125 Ų | 125 | 43% | 0.434 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -63 | -34.9 | 175.6 | 173.1 | 0 | 0 | 0 | 0 | 112.8 | M40 V42 | M40-S44 VanDerWaalsContact O-CB 3.31Å; M40-S44 WeakPolarHBondContact O-CB 3.33Å; M40-S44 PolarHBondContact O-N 2.92Å; V42-S44 PolarHBondContact O-N 3.22Å |
| 45 | R | 48.8 | Very low | 55.8 | Low | 223 Ų | 223 | 123.6 Ų | 123.6 | 84% | 0.842 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -74 | -30 | 176.6 | -170.7 | 175.5 | 179.7 | -174.1 | 0.1 | 113.3 | R41 V42 K43 | R41-R45 WeakPolarHBondContact O-CB 3.2Å; R41-R45 PolarHBondContact O-N 2.87Å; V42-R45 PolarHBondContact O-N 3.48Å; K43-R45 VanDerWaalsContact C-N 3.32Å; K43-R45 PolarHBondContact O-N 2.89Å |
| 46 | L | 53.1 | Low | 54.9 | Low | 143 Ų | 143 | 124.1 Ų | 124.1 | 75% | 0.749 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -79.8 | -28.1 | 179.6 | -69.6 | 171.7 | 0 | 0 | 0 | 112.6 | V42 K43 G48 | V42-L46 HydrophobicContact CG1-CD1 3.96Å; V42-L46 WeakPolarHBondContact O-CG 3.47Å; V42-L46 PolarHBondContact O-N 3.07Å; V42-L46 VanDerWaalsContact O-N 3.07Å; K43-L46 PolarHBondContact O-N 3.31Å; L46-G48 PolarHBondContact O-N 2.9Å |
| 47 | V | 53.5 | Low | 54.1 | Low | 114 Ų | 114 | 127 Ų | 127 | 69% | 0.691 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -93.3 | 84.5 | 171.6 | -175.4 | 0 | 0 | 0 | 0 | 107 | K43 G49 | K43-V47 PolarHBondContact O-N 3.45Å; K43-V47 VanDerWaalsContact O-N 3.11Å; V47-G49 PolarHBondContact O-N 2.86Å |
| 48 | G | 48.8 | Very low | 53.3 | Low | 74 Ų | 74 | 126.6 Ų | 126.6 | 76% | 0.763 | 66% | 0.663 | S | S | * | * | trans | -43.2 | 110.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L46 | L46-G48 PolarHBondContact O-N 2.9Š| ||
| 49 | G | 55.5 | Low | 52.7 | Low | 68 Ų | 68 | 124.6 Ų | 124.6 | 70% | 0.701 | 66% | 0.66 | S | S | * | * | trans | 72 | 98.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | V47 | V47-G49 PolarHBondContact O-N 2.86Š| ||
| 50 | N | 42.8 | Very low | 52.2 | Low | 129 Ų | 129 | 126.2 Ų | 126.2 | 69% | 0.69 | 68% | 0.679 | S | S | * | * | -165.9 | 124.3 | 129.8 | -128.3 | -21.8 | 0 | 0 | 0 | 110.9 | S52 | N50-S52 PolarHBondContact O-N 3.22Š| |||
| 51 | D | 53.4 | Low | 51.7 | Low | 179 Ų | 179 | 129 Ų | 129 | 96% | 0.957 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -69.1 | 38.2 | 171.1 | -90.5 | -35.5 | 0 | 0 | 0 | 112.4 | ||
| 52 | S | 47.8 | Very low | 51.2 | Low | 101 Ų | 101 | 121.9 Ų | 121.9 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | trans | -142.6 | 39.8 | -174.8 | -144.3 | 0 | 0 | 0 | 0 | 113.5 | N50 | N50-S52 PolarHBondContact O-N 3.22Š| ||
| 53 | A | 50.7 | Low | 50.7 | Low | 67 Ų | 67 | 127.8 Ų | 127.8 | 55% | 0.554 | 72% | 0.723 | S | S | * | * | trans | -115.4 | 49.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | E55 | A53-E55 PolarHBondContact O-N 3.11Å; A53-E55 VanDerWaalsContact O-N 3.16Å | ||
| 54 | Y | 47.6 | Very low | 50.4 | Low | 234 Ų | 234 | 127.7 Ų | 127.7 | 92% | 0.918 | 73% | 0.731 | S | S | * | * | trans | -77.7 | 62.1 | 146.4 | -84.6 | -90.3 | 0 | 0 | 0 | 107.2 | E56 | Y54-E56 PolarHBondContact O-N 3.38Š| ||
| 55 | E | 54.6 | Low | 50.3 | Low | 135 Ų | 135 | 131.2 Ų | 131.2 | 63% | 0.631 | 75% | 0.747 | S | S | * | * | trans | -67.7 | 115.6 | 157.1 | -78.5 | -169 | 148.6 | 0 | 0 | 105 | A53 Y57 | A53-E55 PolarHBondContact O-N 3.11Å; A53-E55 VanDerWaalsContact O-N 3.16Å; E55-Y57 VanDerWaalsContact C-N 3.33Å; E55-Y57 HydrophobicContact CB-CD2 4.44Å; E55-Y57 HydrophobicContact CB-CE2 3.83Å; E55-Y57 WeakPolarHBondContact O-CD2 3.03Å; E55-Y57 WeakPolarHBondContact O-CE2 3.44Å; E55-Y57 PolarHBondContact O-N 3.27Å | ||
| 56 | E | 48.8 | Very low | 50.4 | Low | 180 Ų | 180 | 126.1 Ų | 126.1 | 84% | 0.841 | 74% | 0.742 | S | S | * | * | trans | -64.4 | 93.4 | -179.3 | -166.8 | 174.3 | -164.2 | 0 | 0 | 108.4 | Y54 C58 | Y54-E56 PolarHBondContact O-N 3.38Å; E56-C58 VanDerWaalsContact C-N 3.27Å; E56-C58 PolarHBondContact O-N 3Å | ||
| 57 | Y | 52.2 | Low | 50.2 | Low | 148 Ų | 148 | 125.1 Ų | 125.1 | 58% | 0.58 | 74% | 0.741 | S | S | * | * | trans | -72 | 89.7 | 170.9 | -73.7 | -93.9 | 0 | 0 | 0 | 107.6 | M40 E55 V59 | M40-Y57 HydrophobicContact CE-CD2 3.64Å; M40-Y57 HydrophobicContact CE-CE1 4.31Å; M40-Y57 HydrophobicContact CE-CE2 3Å; M40-Y57 HydrophobicContact SD-CE2 4.33Å; E55-Y57 VanDerWaalsContact C-N 3.33Å; E55-Y57 HydrophobicContact CB-CD2 4.44Å; E55-Y57 HydrophobicContact CB-CE2 3.83Å; E55-Y57 WeakPolarHBondContact O-CD2 3.03Å; E55-Y57 WeakPolarHBondContact O-CE2 3.44Å; E55-Y57 PolarHBondContact O-N 3.27Å; Y57-V59 VanDerWaalsContact C-N 3.31Å; Y57-V59 PolarHBondContact O-N 3.42Å | ||
| 58 | C | 48.7 | Very low | 50 | Low | 101 Ų | 101 | 125.8 Ų | 125.8 | 68% | 0.682 | 74% | 0.744 | S | S | * | * | trans | -59.7 | 95 | 163.9 | -86.3 | 0 | 0 | 0 | 0 | 108.6 | E56 C60 | E56-C58 VanDerWaalsContact C-N 3.27Å; E56-C58 PolarHBondContact O-N 3Å; C58-C60 PolarHBondContact O-N 2.98Å | ||
| 59 | V | 53.5 | Low | 50.1 | Low | 92 Ų | 92 | 129.2 Ų | 129.2 | 56% | 0.558 | 74% | 0.743 | S | S | * | * | trans | -72.9 | 97.4 | 166.6 | -178.6 | 0 | 0 | 0 | 0 | 106.5 | W29 Y57 I61 | W29-V59 HydrophobicContact CH2-CG1 4.36Å; Y57-V59 VanDerWaalsContact C-N 3.31Å; Y57-V59 PolarHBondContact O-N 3.42Å; V59-I61 VanDerWaalsContact C-N 3.31Å; V59-I61 HydrophobicContact CG1-CG1 4.2Å; V59-I61 PolarHBondContact O-N 3.16Å | ||
| 60 | C | 51.1 | Low | 49.7 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | trans | -65.5 | 94.7 | 167.8 | -67.5 | 0 | 0 | 0 | 0 | 108.5 | C58 G62 | C58-C60 PolarHBondContact O-N 2.98Å; C60-G62 PolarHBondContact O-N 2.85Å | ||
| 61 | I | 49.1 | Very low | 50.3 | Low | 123 Ų | 123 | 133.9 Ų | 133.9 | 63% | 0.631 | 75% | 0.75 | S | S | * | * | trans | -72.6 | 105.4 | 162.2 | -51.9 | 177.9 | 0 | 0 | 0 | 105.1 | W29 V59 | W29-I61 HydrophobicContact CH2-CD1 3.37Å; W29-I61 HydrophobicContact CH2-CG1 3.9Å; W29-I61 HydrophobicContact CZ2-CD1 4.13Å; W29-I61 HydrophobicContact CZ3-CD1 3.81Å; W29-I61 HydrophobicContact CZ3-CG1 4.23Å; V59-I61 VanDerWaalsContact C-N 3.31Å; V59-I61 HydrophobicContact CG1-CG1 4.2Å; V59-I61 PolarHBondContact O-N 3.16Å | ||
| 62 | G | 48.9 | Very low | 50 | Low | 50 Ų | 50 | 130.2 Ų | 130.2 | 52% | 0.515 | 73% | 0.733 | S | S | . | * | trans | -57.4 | 159 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111 | C60 | C60-G62 PolarHBondContact O-N 2.85Š| ||
| 63 | P | 46.9 | Very low | 50.2 | Low | 209 Ų | 209 | 132.8 Ų | 132.8 | 100% | 1.357 | 74% | 0.736 | S | S | * | * | trans | -54.2 | 0 | -163.5 | 24.1 | -35.4 | 0 | 0 | 0 | 115 |
Retrieved 63 of 63 residues in 73.9 ms
(Link to these results)