| 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 | 50.4 | Low | 49.2 | Very low | 214 Ų | 214 | 134.9 Ų | 134.9 | 100% | 1.054 | 78% | 0.776 | S | S | * | * | 0 | 92.4 | 0 | -83.8 | 72.7 | 156.7 | 0 | 0 | 106.6 | C3 | M1-C3 VanDerWaalsContact C-N 3.34Å; M1-C3 PolarHBondContact O-N 3.45Å | |||
| 2 | D | 43.6 | Very low | 50.8 | Low | 158 Ų | 158 | 130.2 Ų | 130.2 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | trans | -96.7 | 79.8 | -152.4 | -28.1 | -58.2 | 0 | 0 | 0 | 103.9 | ||||
| 3 | C | 41.1 | Very low | 52.7 | Low | 96 Ų | 96 | 128.6 Ų | 128.6 | 65% | 0.649 | 74% | 0.741 | S | S | * | * | trans | -90.9 | -3.2 | -165.5 | -168.3 | 0 | 0 | 0 | 0 | 113.3 | M1 | M1-C3 VanDerWaalsContact C-N 3.34Å; M1-C3 PolarHBondContact O-N 3.45Å | ||
| 4 | C | 39.8 | Very low | 54.3 | Low | 92 Ų | 92 | 128.3 Ų | 128.3 | 62% | 0.622 | 74% | 0.735 | S | S | * | * | trans | -128.4 | 111 | 167.1 | -58.2 | 0 | 0 | 0 | 0 | 104.3 | E6 | C4-E6 WeakPolarHBondContact CA-OE1 3.09Å; C4-E6 WeakPolarHBondContact CB-OE1 3.44Å | ||
| 5 | T | 50.7 | Low | 55.7 | Low | 124 Ų | 124 | 128.5 Ų | 128.5 | 76% | 0.761 | 73% | 0.733 | S | S | * | * | trans | -106.1 | 119.2 | 155.5 | -151.5 | 0 | 0 | 0 | 0 | 104.3 | N7 | T5-N7 PolarHBondContact O-N 3.45Š| ||
| 6 | E | 52.7 | Low | 57.2 | Low | 163 Ų | 163 | 126.4 Ų | 126.4 | 76% | 0.762 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -72 | 31 | -161.4 | -32.7 | -61.4 | 97.7 | 0 | 0 | 113.3 | C4 | C4-E6 WeakPolarHBondContact CA-OE1 3.09Å; C4-E6 WeakPolarHBondContact CB-OE1 3.44Å |
| 7 | N | 51.9 | Low | 58.4 | Low | 129 Ų | 129 | 125.7 Ų | 125.7 | 69% | 0.69 | 71% | 0.711 | S | S | * | * | trans | -119 | 16.1 | -162.6 | -156.6 | 49.9 | 0 | 0 | 0 | 115.3 | T5 | T5-N7 PolarHBondContact O-N 3.45Š| ||
| 8 | A | 53.3 | Low | 59.8 | Low | 98 Ų | 98 | 125.9 Ų | 125.9 | 81% | 0.81 | 71% | 0.71 | S | S | * | * | trans | -114.2 | 26 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 9 | C | 43.1 | Very low | 61.1 | Low | 135 Ų | 135 | 123.5 Ų | 123.5 | 91% | 0.912 | 69% | 0.694 | S | S | * | * | trans | -109 | 45.1 | 162.8 | -162.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 10 | S | 52.8 | Low | 62.3 | Low | 90 Ų | 90 | 120.9 Ų | 120.9 | 63% | 0.629 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -91.3 | 148.5 | 162 | -63.3 | 0 | 0 | 0 | 0 | 106.6 | ||
| 11 | K | 61.4 | Low | 63.4 | Low | 185 Ų | 185 | 122.5 Ų | 122.5 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | trans | -42.9 | 143.9 | -178.3 | -56.6 | -175.2 | 175.8 | 76.1 | 0 | 110.4 | D13 | K11-D13 PolarHBondContact O-N 3.05Š| ||
| 12 | P | 69.4 | Low | 65.3 | Low | 78 Ų | 78 | 118.8 Ų | 118.8 | 51% | 0.506 | 67% | 0.673 | S | S | . | * | trans | -51.8 | 123.9 | 175.8 | 23.9 | -32.8 | 0 | 0 | 0 | 107.9 | I16 L17 | P12-I16 HydrophobicContact CB-CD1 4.41Å; P12-L17 HydrophobicContact CG-CD2 4.32Å | ||
| 13 | D | 75.5 | Confident | 67.6 | Low | 110 Ų | 110 | 114.3 Ų | 114.3 | 59% | 0.588 | 65% | 0.649 | S | S | * | * | trans | -53.4 | 141.9 | 175.3 | -60.6 | -77.3 | 0 | 0 | 0 | 108.6 | K11 D15 I16 | K11-D13 PolarHBondContact O-N 3.05Å; D13-D15 PolarHBondContact O-N 2.93Å; D13-D15 VanDerWaalsContact O-N 3.09Å; D13-I16 HydrophobicContact CB-CD1 4.23Å; D13-I16 HydrophobicContact CB-CG1 4.37Å; D13-I16 WeakPolarHBondContact O-CA 3.37Å; D13-I16 VanDerWaalsContact O-CB 3.28Å; D13-I16 WeakPolarHBondContact O-CB 3.38Å; D13-I16 PolarHBondContact O-N 3.06Å | ||
| 14 | D | 74.8 | Confident | 70.1 | Confident | 124 Ų | 124 | 114.5 Ų | 114.5 | 66% | 0.663 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -56.1 | -30.3 | -177 | -65 | -72.4 | 0 | 0 | 0 | 111.7 | I16 L17 D18 | D14-I16 PolarHBondContact O-N 2.83Å; D14-L17 WeakPolarHBondContact O-CA 3.35Å; D14-L17 WeakPolarHBondContact O-CB 3.49Å; D14-L17 PolarHBondContact O-N 2.8Å; D14-D18 PolarHBondContact O-N 2.87Å; D14-D18 VanDerWaalsContact O-N 3.09Å |
| 15 | D | 74.9 | Confident | 72.6 | Confident | 131 Ų | 131 | 112.1 Ų | 112.1 | 70% | 0.701 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -59.2 | -26.2 | 173.1 | -62.9 | -59.3 | 0 | 0 | 0 | 113.8 | D13 I19 | D13-D15 PolarHBondContact O-N 2.93Å; D13-D15 VanDerWaalsContact O-N 3.09Å; D15-I19 WeakPolarHBondContact O-CG1 3.4Å |
| 16 | I | 79.5 | Confident | 74.6 | Confident | 96 Ų | 96 | 107.3 Ų | 107.3 | 49% | 0.492 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -76.9 | -32.8 | 175 | -58.6 | 169.8 | 0 | 0 | 0 | 110.2 | P12 D13 D14 | P12-I16 HydrophobicContact CB-CD1 4.41Å; D13-I16 HydrophobicContact CB-CD1 4.23Å; D13-I16 HydrophobicContact CB-CG1 4.37Å; D13-I16 WeakPolarHBondContact O-CA 3.37Å; D13-I16 VanDerWaalsContact O-CB 3.28Å; D13-I16 WeakPolarHBondContact O-CB 3.38Å; D13-I16 PolarHBondContact O-N 3.06Å; D14-I16 PolarHBondContact O-N 2.83Å |
| 17 | L | 77.1 | Confident | 76.5 | Confident | 114 Ų | 114 | 103.3 Ų | 103.3 | 60% | 0.597 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -75.9 | -25.6 | 179.2 | -60 | 177.2 | 0 | 0 | 0 | 112.2 | P12 D14 I19 | P12-L17 HydrophobicContact CG-CD2 4.32Å; D14-L17 WeakPolarHBondContact O-CA 3.35Å; D14-L17 WeakPolarHBondContact O-CB 3.49Å; D14-L17 PolarHBondContact O-N 2.8Å; L17-I19 VanDerWaalsContact C-N 3.28Å; L17-I19 PolarHBondContact O-N 2.88Å |
| 18 | D | 83.7 | Confident | 78.5 | Confident | 130 Ų | 130 | 100.2 Ų | 100.2 | 70% | 0.695 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -0.2 | 179 | -74.5 | -31.3 | 0 | 0 | 0 | 114.2 | D14 P20 | D14-D18 PolarHBondContact O-N 2.87Å; D14-D18 VanDerWaalsContact O-N 3.09Å; D18-P20 WeakPolarHBondContact O-CD 3.48Å |
| 19 | I | 84.7 | Confident | 80.4 | Confident | 80 Ų | 80 | 98 Ų | 98 | 41% | 0.41 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -79.6 | 119.9 | 179.1 | -56.7 | 175.6 | 0 | 0 | 0 | 109.9 | D15 L17 L21 A26 | D15-I19 WeakPolarHBondContact O-CG1 3.4Å; L17-I19 VanDerWaalsContact C-N 3.28Å; L17-I19 PolarHBondContact O-N 2.88Å; I19-L21 PolarHBondContact O-N 2.75Å; I19-A26 HydrophobicContact CG2-CB 3.34Å |
| 20 | P | 85 | Confident | 82.8 | Confident | 71 Ų | 71 | 93.4 Ų | 93.4 | 46% | 0.461 | 54% | 0.543 | S | S | . | . | trans | -63.7 | 127.9 | 175.1 | 13.6 | -14.9 | 0 | 0 | 0 | 110.9 | D18 D22 D23 | D18-P20 WeakPolarHBondContact O-CD 3.48Å; P20-D22 WeakPolarHBondContact CB-OD1 3.49Å; P20-D22 PolarHBondContact O-N 2.85Å; P20-D23 HydrophobicContact CB-CB 4.45Å; P20-D23 HydrophobicContact CG-CB 4.01Å; P20-D23 PolarHBondContact O-N 3.07Å; P20-D23 VanDerWaalsContact O-N 3.09Å | ||
| 21 | L | 86.9 | Confident | 84.8 | Confident | 154 Ų | 154 | 91.6 Ų | 91.6 | 81% | 0.806 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -16.9 | -176.6 | -61.3 | -178.3 | 0 | 0 | 0 | 113.4 | I19 N27 | I19-L21 PolarHBondContact O-N 2.75Å; L21-N27 PolarHBondContact O-ND2 3.14Å; L21-N27 PolarHBondContact O-OD1 3.21Å |
| 22 | D | 89.9 | Confident | 86.4 | Confident | 136 Ų | 136 | 90.6 Ų | 90.6 | 73% | 0.727 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -2.9 | 178.2 | 51.4 | -35.4 | 0 | 0 | 0 | 113.3 | P20 P24 | P20-D22 WeakPolarHBondContact CB-OD1 3.49Å; P20-D22 PolarHBondContact O-N 2.85Å; D22-P24 WeakPolarHBondContact O-CD 3.31Å |
| 23 | D | 91.9 | Very high | 87.6 | Confident | 64 Ų | 64 | 92.7 Ų | 92.7 | 34% | 0.342 | 53% | 0.534 | S | S | . | . | trans | -66.2 | 116.5 | 173.7 | 172.9 | -138.8 | 0 | 0 | 0 | 110.8 | P20 G25 A26 N27 | P20-D23 HydrophobicContact CB-CB 4.45Å; P20-D23 HydrophobicContact CG-CB 4.01Å; P20-D23 PolarHBondContact O-N 3.07Å; P20-D23 VanDerWaalsContact O-N 3.09Å; D23-G25 PolarHBondContact O-N 3.18Å; D23-G25 PolarHBondContact OD2-N 3.21Å; D23-A26 HydrophobicContact CB-CB 3.99Å; D23-A26 PolarHBondContact O-N 3.4Å; D23-A26 WeakPolarHBondContact OD1-CB 3.44Å; D23-A26 PolarHBondContact OD1-N 3.14Å; D23-N27 WeakPolarHBondContact O-CB 3.27Å; D23-N27 PolarHBondContact O-N 3.3Å; D23-N27 PolarHBondContact O-ND2 3.33Å | ||
| 24 | P | 92.3 | Very high | 88.5 | Confident | 101 Ų | 101 | 93.9 Ų | 93.9 | 66% | 0.656 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.1 | -29.5 | 177.5 | 24.8 | -34.4 | 0 | 0 | 0 | 112.5 | D22 A28 | D22-P24 WeakPolarHBondContact O-CD 3.31Å; P24-A28 WeakPolarHBondContact O-CB 3.48Å; P24-A28 PolarHBondContact O-N 3.48Å |
| 25 | G | 93.8 | Very high | 89.5 | Confident | 42 Ų | 42 | 91 Ų | 91 | 43% | 0.433 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66 | -54.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D23 N27 A28 A29 | D23-G25 PolarHBondContact O-N 3.18Å; D23-G25 PolarHBondContact OD2-N 3.21Å; G25-N27 VanDerWaalsContact C-N 3.34Å; G25-N27 PolarHBondContact O-N 3.39Å; G25-A28 PolarHBondContact O-N 3.45Å; G25-A29 PolarHBondContact O-N 3.43Å |
| 26 | A | 91.2 | Very high | 90.4 | Very high | 22 Ų | 22 | 88.4 Ų | 88.4 | 18% | 0.182 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -57.1 | -45 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I19 D23 A28 A29 A30 | I19-A26 HydrophobicContact CG2-CB 3.34Å; D23-A26 HydrophobicContact CB-CB 3.99Å; D23-A26 PolarHBondContact O-N 3.4Å; D23-A26 WeakPolarHBondContact OD1-CB 3.44Å; D23-A26 PolarHBondContact OD1-N 3.14Å; A26-A28 PolarHBondContact O-N 2.97Å; A26-A29 PolarHBondContact O-N 3.21Å; A26-A30 WeakPolarHBondContact O-CB 3.5Å; A26-A30 PolarHBondContact O-N 2.97Å |
| 27 | N | 92.9 | Very high | 91.1 | Very high | 79 Ų | 79 | 90 Ų | 90 | 42% | 0.422 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 178.7 | -78.5 | -33 | 0 | 0 | 0 | 112.4 | L21 D23 G25 A30 A31 | L21-N27 PolarHBondContact O-ND2 3.14Å; L21-N27 PolarHBondContact O-OD1 3.21Å; D23-N27 WeakPolarHBondContact O-CB 3.27Å; D23-N27 PolarHBondContact O-N 3.3Å; D23-N27 PolarHBondContact O-ND2 3.33Å; G25-N27 VanDerWaalsContact C-N 3.34Å; G25-N27 PolarHBondContact O-N 3.39Å; N27-A30 PolarHBondContact O-N 3.37Å; N27-A31 VanDerWaalsContact O-CB 3.31Å; N27-A31 WeakPolarHBondContact O-CB 3.43Å; N27-A31 PolarHBondContact O-N 3Å |
| 28 | A | 95.3 | Very high | 91.8 | Very high | 64 Ų | 64 | 94 Ų | 94 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | P24 G25 A26 K32 | P24-A28 WeakPolarHBondContact O-CB 3.48Å; P24-A28 PolarHBondContact O-N 3.48Å; G25-A28 PolarHBondContact O-N 3.45Å; A26-A28 PolarHBondContact O-N 2.97Å; A28-K32 WeakPolarHBondContact O-CB 3.15Å; A28-K32 PolarHBondContact O-N 2.98Å |
| 29 | A | 92.8 | Very high | 92.3 | Very high | 53 Ų | 53 | 88.9 Ų | 88.9 | 44% | 0.438 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.8 | -48.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G25 A26 A31 K32 I33 | G25-A29 PolarHBondContact O-N 3.43Å; A26-A29 PolarHBondContact O-N 3.21Å; A29-A31 PolarHBondContact O-N 3.42Å; A29-K32 WeakPolarHBondContact O-CB 3.32Å; A29-K32 PolarHBondContact O-N 3.49Å; A29-I33 WeakPolarHBondContact O-CG1 3.4Å; A29-I33 PolarHBondContact O-N 3.38Å |
| 30 | A | 92.3 | Very high | 92.7 | Very high | 38 Ų | 38 | 88.1 Ų | 88.1 | 31% | 0.314 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.7 | -46.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A26 N27 K32 I33 Q34 | A26-A30 WeakPolarHBondContact O-CB 3.5Å; A26-A30 PolarHBondContact O-N 2.97Å; N27-A30 PolarHBondContact O-N 3.37Å; A30-K32 VanDerWaalsContact C-N 3.31Å; A30-K32 PolarHBondContact O-N 3.29Å; A30-I33 PolarHBondContact O-N 2.87Å; A30-Q34 WeakPolarHBondContact O-CB 3.39Å; A30-Q34 VanDerWaalsContact O-CG 3.27Å; A30-Q34 WeakPolarHBondContact O-CG 3.46Å; A30-Q34 PolarHBondContact O-N 2.89Å |
| 31 | A | 94.9 | Very high | 93 | Very high | 52 Ų | 52 | 87.7 Ų | 87.7 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.9 | -41.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N27 A29 Q34 A35 | N27-A31 VanDerWaalsContact O-CB 3.31Å; N27-A31 WeakPolarHBondContact O-CB 3.43Å; N27-A31 PolarHBondContact O-N 3Å; A29-A31 PolarHBondContact O-N 3.42Å; A31-Q34 PolarHBondContact O-N 3.11Å; A31-A35 VanDerWaalsContact O-CB 3.27Å; A31-A35 WeakPolarHBondContact O-CB 3.39Å; A31-A35 PolarHBondContact O-N 3.01Å |
| 32 | K | 96 | Very high | 93.1 | Very high | 164 Ų | 164 | 83 Ų | 83 | 71% | 0.713 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64 | -42.5 | 176.8 | -172.9 | 175.1 | -178 | 178.4 | 0 | 112.1 | A28 A29 A30 S36 | A28-K32 WeakPolarHBondContact O-CB 3.15Å; A28-K32 PolarHBondContact O-N 2.98Å; A29-K32 WeakPolarHBondContact O-CB 3.32Å; A29-K32 PolarHBondContact O-N 3.49Å; A30-K32 VanDerWaalsContact C-N 3.31Å; A30-K32 PolarHBondContact O-N 3.29Å; K32-S36 WeakPolarHBondContact O-CB 3.22Å; K32-S36 PolarHBondContact O-N 3.06Å |
| 33 | I | 94.3 | Very high | 92.9 | Very high | 121 Ų | 121 | 83.3 Ų | 83.3 | 62% | 0.621 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.6 | -48.9 | 176.9 | -66.7 | 165.9 | 0 | 0 | 0 | 110.2 | A29 A30 A35 S36 F37 | A29-I33 WeakPolarHBondContact O-CG1 3.4Å; A29-I33 PolarHBondContact O-N 3.38Å; A30-I33 PolarHBondContact O-N 2.87Å; I33-A35 PolarHBondContact O-N 3.32Å; I33-S36 PolarHBondContact O-N 3.27Å; I33-F37 WeakPolarHBondContact O-CB 3.47Å; I33-F37 PolarHBondContact O-N 2.9Å |
| 34 | Q | 93.9 | Very high | 92.7 | Very high | 135 Ų | 135 | 85.5 Ų | 85.5 | 63% | 0.631 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.5 | -43.9 | 178.9 | -69.8 | 174.8 | 13 | 0 | 0 | 112 | A30 A31 F37 R38 | A30-Q34 WeakPolarHBondContact O-CB 3.39Å; A30-Q34 VanDerWaalsContact O-CG 3.27Å; A30-Q34 WeakPolarHBondContact O-CG 3.46Å; A30-Q34 PolarHBondContact O-N 2.89Å; A31-Q34 PolarHBondContact O-N 3.11Å; Q34-F37 PolarHBondContact O-N 3.43Å; Q34-R38 WeakPolarHBondContact O-CB 3.03Å; Q34-R38 PolarHBondContact O-N 3.46Å |
| 35 | A | 95.4 | Very high | 92.3 | Very high | 63 Ų | 63 | 87.7 Ų | 87.7 | 52% | 0.521 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A31 I33 R38 G39 | A31-A35 VanDerWaalsContact O-CB 3.27Å; A31-A35 WeakPolarHBondContact O-CB 3.39Å; A31-A35 PolarHBondContact O-N 3.01Å; I33-A35 PolarHBondContact O-N 3.32Å; A35-R38 PolarHBondContact O-N 2.83Å; A35-G39 PolarHBondContact O-N 3.19Å |
| 36 | S | 94.6 | Very high | 91.6 | Very high | 77 Ų | 77 | 92 Ų | 92 | 54% | 0.538 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 176.5 | -173.9 | 0 | 0 | 0 | 0 | 111.6 | K32 I33 G39 H40 | K32-S36 WeakPolarHBondContact O-CB 3.22Å; K32-S36 PolarHBondContact O-N 3.06Å; I33-S36 PolarHBondContact O-N 3.27Å; S36-G39 PolarHBondContact O-N 2.92Å; S36-H40 WeakPolarHBondContact O-CB 3.27Å; S36-H40 PolarHBondContact O-N 3.45Å |
| 37 | F | 94.5 | Very high | 91 | Very high | 129 Ų | 129 | 100.1 Ų | 100.1 | 57% | 0.566 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65 | -45.6 | 179.3 | -176.4 | -101.6 | 0 | 0 | 0 | 112.4 | I33 Q34 G39 H40 M41 | I33-F37 WeakPolarHBondContact O-CB 3.47Å; I33-F37 PolarHBondContact O-N 2.9Å; Q34-F37 PolarHBondContact O-N 3.43Å; F37-G39 VanDerWaalsContact C-N 3.29Å; F37-G39 PolarHBondContact O-N 2.9Å; F37-H40 WeakPolarHBondContact O-CB 3.35Å; F37-H40 PolarHBondContact O-N 3.01Å; F37-H40 VanDerWaalsContact O-N 3.11Å; F37-M41 HydrophobicContact CD1-CG 4.2Å; F37-M41 HydrophobicContact CD2-CE 4.07Å; F37-M41 HydrophobicContact CE1-CE 4.15Å; F37-M41 HydrophobicContact CE1-CG 3.84Å; F37-M41 HydrophobicContact CE2-CE 3.22Å; F37-M41 HydrophobicContact CE2-CG 4.37Å; F37-M41 HydrophobicContact CZ-CE 3.28Å; F37-M41 HydrophobicContact CZ-CG 3.95Å; F37-M41 HydrophobicContact CZ-SD 4.33Å; F37-M41 WeakPolarHBondContact O-CG 3.37Å; F37-M41 PolarHBondContact O-N 3.06Å |
| 38 | R | 92.7 | Very high | 90 | Very high | 199 Ų | 199 | 100.4 Ų | 100.4 | 75% | 0.751 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.7 | -42.9 | 175.1 | -176.8 | 168.8 | 124 | 100.3 | -3.4 | 111.2 | Q34 A35 M41 A42 | Q34-R38 WeakPolarHBondContact O-CB 3.03Å; Q34-R38 PolarHBondContact O-N 3.46Å; A35-R38 PolarHBondContact O-N 2.83Å; R38-M41 PolarHBondContact O-N 2.9Å; R38-A42 WeakPolarHBondContact O-CB 3.34Å; R38-A42 PolarHBondContact O-N 3.36Å |
| 39 | G | 94.2 | Very high | 88.2 | Confident | 22 Ų | 22 | 99.7 Ų | 99.7 | 23% | 0.227 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A35 S36 F37 A42 R43 | A35-G39 PolarHBondContact O-N 3.19Å; S36-G39 PolarHBondContact O-N 2.92Å; F37-G39 VanDerWaalsContact C-N 3.29Å; F37-G39 PolarHBondContact O-N 2.9Å; G39-A42 PolarHBondContact O-N 3.38Å; G39-R43 WeakPolarHBondContact O-CG 3.46Å; G39-R43 PolarHBondContact O-N 2.94Å |
| 40 | H | 93 | Very high | 86.5 | Confident | 64 Ų | 64 | 103.9 Ų | 103.9 | 30% | 0.296 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 175.9 | -179.2 | 89 | 0 | 0 | 0 | 111.7 | S36 F37 R43 K44 | S36-H40 WeakPolarHBondContact O-CB 3.27Å; S36-H40 PolarHBondContact O-N 3.45Å; F37-H40 WeakPolarHBondContact O-CB 3.35Å; F37-H40 PolarHBondContact O-N 3.01Å; F37-H40 VanDerWaalsContact O-N 3.11Å; H40-R43 PolarHBondContact O-N 3.02Å; H40-K44 WeakPolarHBondContact NE2-CD 3.28Å; H40-K44 PolarHBondContact O-N 3.24Å |
| 41 | M | 90.1 | Very high | 84.3 | Confident | 62 Ų | 62 | 113.6 Ų | 113.6 | 31% | 0.305 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.1 | -39.4 | 178.1 | -68.9 | -57.4 | 157.5 | 0 | 0 | 112.5 | F37 R38 K44 K45 | F37-M41 HydrophobicContact CD1-CG 4.2Å; F37-M41 HydrophobicContact CD2-CE 4.07Å; F37-M41 HydrophobicContact CE1-CE 4.15Å; F37-M41 HydrophobicContact CE1-CG 3.84Å; F37-M41 HydrophobicContact CE2-CE 3.22Å; F37-M41 HydrophobicContact CE2-CG 4.37Å; F37-M41 HydrophobicContact CZ-CE 3.28Å; F37-M41 HydrophobicContact CZ-CG 3.95Å; F37-M41 HydrophobicContact CZ-SD 4.33Å; F37-M41 WeakPolarHBondContact O-CG 3.37Å; F37-M41 PolarHBondContact O-N 3.06Å; R38-M41 PolarHBondContact O-N 2.9Å; M41-K44 PolarHBondContact O-N 3.31Å; M41-K45 WeakPolarHBondContact O-CG 3.49Å; M41-K45 PolarHBondContact O-N 3.45Å |
| 42 | A | 89.4 | Confident | 82.1 | Confident | 55 Ų | 55 | 113.2 Ų | 113.2 | 46% | 0.455 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.2 | -45.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R38 G39 K44 K45 I46 | R38-A42 WeakPolarHBondContact O-CB 3.34Å; R38-A42 PolarHBondContact O-N 3.36Å; G39-A42 PolarHBondContact O-N 3.38Å; A42-K44 PolarHBondContact O-N 3.07Å; A42-K45 PolarHBondContact O-N 3.25Å; A42-I46 PolarHBondContact O-N 3.02Å |
| 43 | R | 86 | Confident | 79.9 | Confident | 144 Ų | 144 | 116.8 Ų | 116.8 | 54% | 0.543 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.3 | -37.4 | 176.8 | -72.7 | -171.3 | -60.1 | -90.7 | 1.7 | 112.9 | G39 H40 I46 K47 | G39-R43 WeakPolarHBondContact O-CG 3.46Å; G39-R43 PolarHBondContact O-N 2.94Å; H40-R43 PolarHBondContact O-N 3.02Å; R43-I46 WeakPolarHBondContact O-CG1 3.49Å; R43-K47 WeakPolarHBondContact O-CB 3.39Å; R43-K47 PolarHBondContact O-N 3.4Å |
| 44 | K | 88 | Confident | 77.5 | Confident | 109 Ų | 109 | 121.1 Ų | 121.1 | 47% | 0.474 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.6 | -44.9 | 174.7 | -81.4 | -175.3 | 63.6 | 173.9 | 0 | 111.6 | H40 M41 A42 I46 K47 S48 | H40-K44 WeakPolarHBondContact NE2-CD 3.28Å; H40-K44 PolarHBondContact O-N 3.24Å; M41-K44 PolarHBondContact O-N 3.31Å; A42-K44 PolarHBondContact O-N 3.07Å; K44-I46 PolarHBondContact O-N 3Å; K44-K47 PolarHBondContact O-N 2.85Å; K44-S48 PolarHBondContact O-N 3.2Å; K44-S48 PolarHBondContact O-OG 3.02Å |
| 45 | K | 83.3 | Confident | 75.2 | Confident | 148 Ų | 148 | 117.8 Ų | 117.8 | 64% | 0.643 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.8 | -38.6 | -179.8 | -71.7 | 177.9 | -179.3 | -173.4 | 0 | 113.4 | M41 A42 S48 | M41-K45 WeakPolarHBondContact O-CG 3.49Å; M41-K45 PolarHBondContact O-N 3.45Å; A42-K45 PolarHBondContact O-N 3.25Å; K45-S48 PolarHBondContact O-OG 3.26Å |
| 46 | I | 79.9 | Confident | 72.7 | Confident | 133 Ų | 133 | 121.5 Ų | 121.5 | 68% | 0.682 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.7 | -36.6 | 175.7 | 64.3 | 173.4 | 0 | 0 | 0 | 112 | A42 R43 K44 G49 | A42-I46 PolarHBondContact O-N 3.02Å; R43-I46 WeakPolarHBondContact O-CG1 3.49Å; K44-I46 PolarHBondContact O-N 3Å; I46-G49 PolarHBondContact O-N 3.47Å |
| 47 | K | 76.6 | Confident | 70.2 | Confident | 192 Ų | 192 | 120.4 Ų | 120.4 | 84% | 0.835 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.8 | -30.5 | -178.2 | -170 | 171.6 | -178.1 | 172.3 | 0 | 111.7 | R43 K44 G49 | R43-K47 WeakPolarHBondContact O-CB 3.39Å; R43-K47 PolarHBondContact O-N 3.4Å; K44-K47 PolarHBondContact O-N 2.85Å; K47-G49 PolarHBondContact O-N 3.46Å |
| 48 | S | 72.1 | Confident | 67.9 | Low | 85 Ų | 85 | 120.8 Ų | 120.8 | 59% | 0.594 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | 6.8 | 175.8 | 63.1 | 0 | 0 | 0 | 0 | 114.2 | K44 K45 E50 | K44-S48 PolarHBondContact O-N 3.2Å; K44-S48 PolarHBondContact O-OG 3.02Å; K45-S48 PolarHBondContact O-OG 3.26Å; S48-E50 PolarHBondContact O-N 2.87Å; S48-E50 VanDerWaalsContact O-N 3.14Å |
| 49 | G | 57.2 | Low | 65.4 | Low | 48 Ų | 48 | 114.9 Ų | 114.9 | 50% | 0.495 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 72.9 | 4.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | I46 K47 R51 | I46-G49 PolarHBondContact O-N 3.47Å; K47-G49 PolarHBondContact O-N 3.46Å; G49-R51 PolarHBondContact O-N 3.36Å |
| 50 | E | 57.8 | Low | 62.9 | Low | 141 Ų | 141 | 116.4 Ų | 116.4 | 66% | 0.659 | 65% | 0.645 | S | S | * | * | trans | -80.6 | 74.6 | 176.6 | -159.1 | -175.3 | 139.2 | 0 | 0 | 110.2 | S48 G52 | S48-E50 PolarHBondContact O-N 2.87Å; S48-E50 VanDerWaalsContact O-N 3.14Å; E50-G52 PolarHBondContact O-N 2.82Å | ||
| 51 | R | 46.9 | Very low | 60.8 | Low | 242 Ų | 242 | 119.1 Ų | 119.1 | 91% | 0.913 | 67% | 0.668 | S | S | * | * | trans | -75.2 | 29.9 | 175.2 | -71.6 | -173.2 | -66.9 | -129.5 | -3.7 | 113.7 | G49 | G49-R51 PolarHBondContact O-N 3.36Š| ||
| 52 | G | 48.7 | Very low | 58.5 | Low | 45 Ų | 45 | 119.9 Ų | 119.9 | 46% | 0.464 | 69% | 0.692 | S | S | . | * | trans | -179 | 99.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | E50 | E50-G52 PolarHBondContact O-N 2.82Š| ||
| 53 | R | 48.7 | Very low | 56.4 | Low | 238 Ų | 238 | 120.6 Ų | 120.6 | 90% | 0.898 | 71% | 0.705 | S | S | * | * | -174 | 115.3 | 125.9 | -96.8 | 160.9 | -157.3 | -96 | 5.7 | 110.6 | |||||
| 54 | K | 44.5 | Very low | 54.5 | Low | 213 Ų | 213 | 118.7 Ų | 118.7 | 93% | 0.926 | 72% | 0.72 | S | S | * | * | trans | -18.5 | 120.4 | 156.1 | -176.4 | -176.3 | 176 | -178 | 0 | 114.6 | ||||
| 55 | G | 44.7 | Very low | 52.6 | Low | 64 Ų | 64 | 116.8 Ų | 116.8 | 66% | 0.66 | 73% | 0.731 | S | S | * | * | trans | -121.7 | 140 | 152.8 | 0 | 0 | 0 | 0 | 0 | 109 | G57 | G55-G57 PolarHBondContact O-N 3.09Š| ||
| 56 | P | 43.7 | Very low | 50.9 | Low | 141 Ų | 141 | 115.3 Ų | 115.3 | 92% | 0.916 | 73% | 0.734 | S | S | * | * | trans | -80.9 | 112 | 176.3 | 33.1 | -27.6 | 0 | 0 | 0 | 108.3 | ||||
| 57 | G | 42.5 | Very low | 49.6 | Very low | 54 Ų | 54 | 113.8 Ų | 113.8 | 56% | 0.557 | 74% | 0.741 | S | S | * | * | trans | -146.9 | 147.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | G55 G59 | G55-G57 PolarHBondContact O-N 3.09Å; G57-G59 PolarHBondContact O-N 2.78Å | ||
| 58 | P | 46.5 | Very low | 48.3 | Very low | 137 Ų | 137 | 115.7 Ų | 115.7 | 89% | 0.89 | 74% | 0.743 | S | S | * | * | trans | -57.1 | 113.8 | -171.1 | 25.6 | -31.8 | 0 | 0 | 0 | 107.3 | G60 | P58-G60 PolarHBondContact O-N 3.17Š| ||
| 59 | G | 39.8 | Very low | 47.1 | Very low | 75 Ų | 75 | 115.2 Ų | 115.2 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | -61.7 | 85.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 106.1 | G57 | G57-G59 PolarHBondContact O-N 2.78Š| ||
| 60 | G | 41.6 | Very low | 47 | Very low | 54 Ų | 54 | 116.6 Ų | 116.6 | 56% | 0.557 | 77% | 0.766 | S | S | * | * | trans | -53.6 | 127.4 | 156.4 | 0 | 0 | 0 | 0 | 0 | 105.3 | P58 G62 | P58-G60 PolarHBondContact O-N 3.17Å; G60-G62 PolarHBondContact O-N 3.32Å | ||
| 61 | P | 49.9 | Very low | 46.8 | Very low | 122 Ų | 122 | 115.4 Ų | 115.4 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | trans | -60.4 | 113.1 | -176.4 | 25.5 | -31.6 | 0 | 0 | 0 | 106.6 | G63 | P61-G63 PolarHBondContact O-N 3.43Š| ||
| 62 | G | 40.7 | Very low | 47.3 | Very low | 78 Ų | 78 | 107.4 Ų | 107.4 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -61.8 | 82.5 | 149.8 | 0 | 0 | 0 | 0 | 0 | 105.6 | G60 A64 | G60-G62 PolarHBondContact O-N 3.32Å; G62-A64 PolarHBondContact O-N 3.09Å | ||
| 63 | G | 46.5 | Very low | 47.8 | Very low | 70 Ų | 70 | 109 Ų | 109 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | -69.6 | 77.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | P61 | P61-G63 PolarHBondContact O-N 3.43Š| ||
| 64 | A | 45.7 | Very low | 48.7 | Very low | 104 Ų | 104 | 101.1 Ų | 101.1 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -68.9 | 117 | 146.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | G62 | G62-A64 PolarHBondContact O-N 3.09Š| ||
| 65 | G | 47.6 | Very low | 49.9 | Very low | 69 Ų | 69 | 97.6 Ų | 97.6 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | 152.2 | 93.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A67 | G65-A67 PolarHBondContact O-N 2.93Š| ||
| 66 | V | 47.4 | Very low | 51.3 | Low | 117 Ų | 117 | 100.2 Ų | 100.2 | 71% | 0.709 | 79% | 0.789 | S | S | * | * | trans | -47.5 | 110.8 | 160.1 | 62.4 | 0 | 0 | 0 | 0 | 109.4 | R68 | V66-R68 HydrophobicContact CG1-CG 4.14Å; V66-R68 HydrophobicContact CG2-CG 3.84Å; V66-R68 PolarHBondContact O-N 2.82Å | ||
| 67 | A | 52.5 | Low | 52.7 | Low | 100 Ų | 100 | 97.2 Ų | 97.2 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | -73.6 | 85.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | G65 G69 | G65-A67 PolarHBondContact O-N 2.93Å; A67-G69 PolarHBondContact O-N 3.17Å | ||
| 68 | R | 49.9 | Very low | 53.9 | Low | 232 Ų | 232 | 106.4 Ų | 106.4 | 88% | 0.875 | 82% | 0.82 | S | S | * | * | trans | -73.2 | 85.5 | 160.5 | -63.9 | -178.7 | 176.7 | -164.7 | -2 | 106.3 | V66 | V66-R68 HydrophobicContact CG1-CG 4.14Å; V66-R68 HydrophobicContact CG2-CG 3.84Å; V66-R68 PolarHBondContact O-N 2.82Å | ||
| 69 | G | 47.2 | Very low | 54.3 | Low | 75 Ų | 75 | 104.9 Ų | 104.9 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | -124 | 109.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | A67 | A67-G69 PolarHBondContact O-N 3.17Š| ||
| 70 | G | 53.8 | Low | 55 | Low | 77 Ų | 77 | 106.4 Ų | 106.4 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | 161.1 | 49.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115 | G72 | G70-G72 PolarHBondContact O-N 3.09Š| ||
| 71 | A | 55.1 | Low | 55.8 | Low | 117 Ų | 117 | 109.3 Ų | 109.3 | 97% | 0.967 | 83% | 0.834 | S | S | * | * | trans | -78.5 | 106.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 72 | G | 57.1 | Low | 56.1 | Low | 74 Ų | 74 | 108.6 Ų | 108.6 | 76% | 0.763 | 84% | 0.836 | S | S | * | * | trans | -146.7 | 105.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G70 | G70-G72 PolarHBondContact O-N 3.09Š| ||
| 73 | G | 58.2 | Low | 57.1 | Low | 79 Ų | 79 | 110.5 Ų | 110.5 | 81% | 0.814 | 84% | 0.838 | S | S | * | * | trans | 83.4 | 80.5 | 154.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 74 | G | 67.1 | Low | 57.8 | Low | 72 Ų | 72 | 113.2 Ų | 113.2 | 74% | 0.742 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 141.2 | 151.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | S76 | G74-S76 PolarHBondContact O-N 3.07Š|
| 75 | P | 70 | Confident | 58.7 | Low | 139 Ų | 139 | 113.9 Ų | 113.9 | 90% | 0.903 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 123.4 | 172.3 | 30.1 | -31.4 | 0 | 0 | 0 | 109.2 | ||
| 76 | S | 74.5 | Confident | 59.5 | Low | 118 Ų | 118 | 117.3 Ų | 117.3 | 83% | 0.825 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 140.1 | 164.6 | 53.5 | 0 | 0 | 0 | 0 | 108.8 | G74 | G74-S76 PolarHBondContact O-N 3.07Š|
| 77 | G | 73.6 | Confident | 60.5 | Low | 78 Ų | 78 | 117.3 Ų | 117.3 | 80% | 0.804 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 169.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 78 | D | 67.3 | Low | 61.3 | Low | 247 Ų | 247 | 118.9 Ų | 118.9 | 100% | 1.321 | 87% | 0.871 | S | S | * | * | cis | -132 | 0 | 38.2 | -136.9 | -103.8 | 0 | 0 | 0 | 111.7 |
Retrieved 78 of 78 residues in 34.6 ms
(Link to these results)