| 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 | 45.5 | Very low | 50 | Low | 225 Ų | 225 | 164.9 Ų | 164.9 | 100% | 1.108 | 82% | 0.822 | S | S | * | * | 0 | 113.3 | 0 | -68.4 | 176.7 | -169.4 | 0 | 0 | 106.3 | |||||
| 2 | M | 47.4 | Very low | 49.1 | Very low | 163 Ų | 163 | 164.2 Ų | 164.2 | 80% | 0.803 | 82% | 0.823 | S | S | * | * | cis | -142.1 | 156.1 | -17 | -88.4 | 85.9 | -177.1 | 0 | 0 | 104.3 | ||||
| 3 | N | 44.6 | Very low | 48.1 | Very low | 161 Ų | 161 | 160.8 Ų | 160.8 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 133.4 | 177.2 | -62.7 | -40.4 | 0 | 0 | 0 | 111.1 | ||
| 4 | D | 56.8 | Low | 47.2 | Very low | 158 Ų | 158 | 158.6 Ų | 158.6 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -77 | 125.1 | 165.2 | -72.3 | -52.5 | 0 | 0 | 0 | 109.8 | ||
| 5 | I | 55.3 | Low | 46.4 | Very low | 157 Ų | 157 | 160.3 Ų | 160.3 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 122.9 | 170.9 | -79.4 | 159.9 | 0 | 0 | 0 | 108.5 | ||
| 6 | I | 61.8 | Low | 45.5 | Very low | 159 Ų | 159 | 159.4 Ų | 159.4 | 82% | 0.815 | 81% | 0.809 | S | S | * | * | trans | -116.3 | 108.1 | 156.8 | 55 | 162.8 | 0 | 0 | 0 | 108.6 | ||||
| 7 | E | 52.3 | Low | 44.9 | Very low | 177 Ų | 177 | 155.7 Ų | 155.7 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | trans | -79.3 | 120.8 | 168.3 | -174.1 | -175.8 | 157.5 | 0 | 0 | 107.1 | ||||
| 8 | E | 50.5 | Low | 44.3 | Very low | 160 Ų | 160 | 156 Ų | 156 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | -130.4 | 133.2 | 169.4 | -92.2 | -75.5 | 138.7 | 0 | 0 | 109.6 | ||||
| 9 | P | 48.3 | Very low | 43.6 | Very low | 92 Ų | 92 | 157.3 Ų | 157.3 | 60% | 0.597 | 81% | 0.807 | S | S | * | * | trans | -87.4 | 152.6 | -160 | 33.8 | -37.1 | 0 | 0 | 0 | 114.9 | ||||
| 10 | E | 41.3 | Very low | 43.1 | Very low | 185 Ų | 185 | 157.9 Ų | 157.9 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -60.4 | 124.7 | 175.4 | -44.9 | -174.9 | 158.8 | 0 | 0 | 110.4 | ||||
| 11 | K | 45.8 | Very low | 42.7 | Very low | 177 Ų | 177 | 159.7 Ų | 159.7 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | trans | -104.7 | 82.7 | 176.7 | -59.9 | -177 | -173.7 | 179.3 | 0 | 108.8 | T13 | K11-T13 PolarHBondContact O-N 3.39Š| ||
| 12 | D | 39.5 | Very low | 42.2 | Very low | 156 Ų | 156 | 154.9 Ų | 154.9 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | -72.4 | 113.1 | 157 | -90.5 | -31.6 | 0 | 0 | 0 | 108.3 | ||||
| 13 | T | 36.6 | Very low | 41.5 | Very low | 121 Ų | 121 | 155.2 Ų | 155.2 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | trans | -151.4 | 120.7 | 164.3 | -26.9 | 0 | 0 | 0 | 0 | 111.1 | K11 | K11-T13 PolarHBondContact O-N 3.39Š| ||
| 14 | L | 35 | Very low | 41 | Very low | 129 Ų | 129 | 152.6 Ų | 152.6 | 68% | 0.675 | 79% | 0.793 | S | S | * | * | trans | 90.9 | 81.6 | 143 | -132.5 | 154 | 0 | 0 | 0 | 117.8 | E16 | L14-E16 HydrophobicContact CD2-CB 3.45Å; L14-E16 VanDerWaalsContact CD2-CB 3.45Å | ||
| 15 | L | 35 | Very low | 39.8 | Very low | 185 Ų | 185 | 148.7 Ų | 148.7 | 97% | 0.969 | 79% | 0.79 | S | S | * | * | trans | -96.6 | 101.2 | 145.5 | -69.2 | 175.4 | 0 | 0 | 0 | 107.9 | ||||
| 16 | E | 31.5 | Very low | 39.3 | Very low | 145 Ų | 145 | 147.3 Ų | 147.3 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | trans | -108.1 | 123.6 | 170.5 | -169 | 155.6 | 154.8 | 0 | 0 | 109.3 | L14 | L14-E16 HydrophobicContact CD2-CB 3.45Å; L14-E16 VanDerWaalsContact CD2-CB 3.45Å | ||
| 17 | A | 36.3 | Very low | 38.4 | Very low | 97 Ų | 97 | 144.7 Ų | 144.7 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -89.2 | 121.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 18 | Q | 33.2 | Very low | 37.7 | Very low | 161 Ų | 161 | 144.1 Ų | 144.1 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -148.3 | 105.9 | 160.6 | -74.7 | -173.1 | -28.1 | 0 | 0 | 107.6 | ||||
| 19 | Q | 32.1 | Very low | 37.2 | Very low | 181 Ų | 181 | 142.1 Ų | 142.1 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | 87.2 | 125 | 80.4 | -163.1 | 169.8 | 22 | 0 | 0 | 113 | |||||
| 20 | E | 33 | Very low | 37.1 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -45.8 | 142.8 | 173.7 | -71.2 | 165.3 | 112.4 | 0 | 0 | 113.3 | ||||
| 21 | Q | 34.3 | Very low | 37.6 | Very low | 195 Ų | 195 | 143.7 Ų | 143.7 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | trans | -144.4 | 123.1 | 138.7 | -76.3 | -148.3 | -29.6 | 0 | 0 | 112.6 | ||||
| 22 | V | 35.4 | Very low | 37.5 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 76% | 0.758 | 79% | 0.793 | S | S | * | * | trans | -68 | 133.5 | 163.6 | 170.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 23 | L | 33.5 | Very low | 37.9 | Very low | 170 Ų | 170 | 140.7 Ų | 140.7 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -157.4 | 154.3 | 152.2 | -136 | 78.9 | 0 | 0 | 0 | 112.3 | ||||
| 24 | S | 32.4 | Very low | 38.5 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -109.5 | 142.8 | -147.1 | 49.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 25 | G | 33.2 | Very low | 39.7 | Very low | 76 Ų | 76 | 141.6 Ų | 141.6 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | 74.1 | 172.3 | 144.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 26 | P | 43.5 | Very low | 40 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | cis | -124.5 | 174.7 | -14.3 | 37.4 | -20.4 | 0 | 0 | 0 | 114.4 | ||||
| 27 | S | 44 | Very low | 41.1 | Very low | 103 Ų | 103 | 137 Ų | 137 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | -51.7 | 137.5 | 174.2 | 54.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 28 | N | 37.4 | Very low | 41.5 | Very low | 166 Ų | 166 | 135 Ų | 135 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | trans | -141.1 | 88.5 | 149.9 | -86.3 | -23.1 | 0 | 0 | 0 | 109 | ||||
| 29 | S | 40.3 | Very low | 42.5 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -105.3 | 92.4 | 169.9 | -176 | 0 | 0 | 0 | 0 | 108.7 | R31 | S29-R31 PolarHBondContact O-N 3.47Š| ||
| 30 | T | 46.7 | Very low | 43.4 | Very low | 134 Ų | 134 | 137 Ų | 137 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -82.3 | 105 | 161.9 | -49.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 31 | R | 50.4 | Low | 44.4 | Very low | 176 Ų | 176 | 134.1 Ų | 134.1 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | trans | -40.1 | 140.5 | 167.2 | 168 | -166.6 | -105.4 | -160.4 | 6.5 | 112.4 | S29 K33 | S29-R31 PolarHBondContact O-N 3.47Å; R31-K33 HydrophobicContact CG-CG 4.21Å; R31-K33 VanDerWaalsContact CZ-CE 3.4Å | ||
| 32 | P | 43.5 | Very low | 45.4 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | trans | -115.9 | 128 | 130.1 | -2.4 | 22.3 | 0 | 0 | 0 | 111.1 | ||||
| 33 | K | 48.5 | Very low | 46.5 | Very low | 155 Ų | 155 | 130.7 Ų | 130.7 | 67% | 0.674 | 76% | 0.764 | S | S | * | * | trans | -75.8 | 122.6 | 163.5 | -84.7 | -86.8 | -146.9 | -173.3 | 0 | 107.5 | R31 | R31-K33 HydrophobicContact CG-CG 4.21Å; R31-K33 VanDerWaalsContact CZ-CE 3.4Å | ||
| 34 | I | 49.3 | Very low | 48 | Very low | 147 Ų | 147 | 132 Ų | 132 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | trans | -131.1 | 120.4 | 157.1 | -61.4 | 155.3 | 0 | 0 | 0 | 105.4 | ||||
| 35 | P | 60.3 | Low | 49.6 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | trans | -90.5 | 112.7 | 173.4 | 32.9 | -23.5 | 0 | 0 | 0 | 107.5 | ||||
| 36 | D | 41.5 | Very low | 51.1 | Low | 155 Ų | 155 | 131.8 Ų | 131.8 | 83% | 0.829 | 74% | 0.736 | S | S | * | * | trans | -148.1 | 128.3 | 157.5 | -155.5 | 5.2 | 0 | 0 | 0 | 111.4 | G38 | D36-G38 PolarHBondContact O-N 3.22Š| ||
| 37 | G | 54 | Low | 52.3 | Low | 78 Ų | 78 | 133 Ų | 133 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | -70.4 | 92.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 38 | G | 44.7 | Very low | 53.3 | Low | 57 Ų | 57 | 137.2 Ų | 137.2 | 59% | 0.588 | 75% | 0.745 | S | S | * | * | trans | -107.3 | 107.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110 | D36 R40 | D36-G38 PolarHBondContact O-N 3.22Å; G38-R40 PolarHBondContact O-N 2.82Å | ||
| 39 | I | 55 | Low | 54.9 | Low | 168 Ų | 168 | 133.3 Ų | 133.3 | 86% | 0.862 | 72% | 0.723 | S | S | * | * | trans | -37.1 | 107.9 | 173.1 | -31.5 | -176.4 | 0 | 0 | 0 | 110.1 | P41 | I39-P41 WeakPolarHBondContact O-CD 3.33Š| ||
| 40 | R | 51.3 | Low | 56.5 | Low | 216 Ų | 216 | 133.3 Ų | 133.3 | 82% | 0.815 | 71% | 0.712 | S | S | * | * | trans | -70.8 | 122.8 | 169.4 | -64.2 | -68.5 | -66.8 | -148.5 | -1.6 | 106.4 | G38 V42 | G38-R40 PolarHBondContact O-N 2.82Å; R40-V42 PolarHBondContact O-N 2.89Å | ||
| 41 | P | 53 | Low | 57.7 | Low | 107 Ų | 107 | 133 Ų | 133 | 70% | 0.695 | 72% | 0.716 | S | S | * | * | trans | -58 | 113.4 | 155 | -11.9 | 27 | 0 | 0 | 0 | 104.8 | I39 E43 | I39-P41 WeakPolarHBondContact O-CD 3.33Å; P41-E43 PolarHBondContact O-N 3.37Å | ||
| 42 | V | 54.6 | Low | 59 | Low | 122 Ų | 122 | 134.7 Ų | 134.7 | 74% | 0.739 | 72% | 0.722 | S | S | * | * | trans | -60.5 | 92.5 | 160.7 | 155.2 | 0 | 0 | 0 | 0 | 104.2 | R40 K44 | R40-V42 PolarHBondContact O-N 2.89Å; V42-K44 HydrophobicContact CG1-CG 3.95Å; V42-K44 PolarHBondContact O-N 3.39Å | ||
| 43 | E | 60.4 | Low | 60.5 | Low | 127 Ų | 127 | 132.5 Ų | 132.5 | 59% | 0.593 | 71% | 0.713 | S | S | * | * | trans | -66 | 98.5 | 164.2 | -58.6 | -163.2 | 157.8 | 0 | 0 | 104.2 | P41 R45 | P41-E43 PolarHBondContact O-N 3.37Å; E43-R45 HydrophobicContact CB-CG 3.78Å; E43-R45 PolarHBondContact O-N 3.09Å; E43-R45 WeakPolarHBondContact OE2-CD 3.42Å; E43-R45 IonicContact OE2-CZ 3.47Å; E43-R45 IonicContact OE2-NE 3.02Å; E43-R45 PolarHBondContact OE2-NE 3.23Å; E43-R45 IonicContact OE2-NH2 3.59Å | ||
| 44 | K | 64.2 | Low | 62.1 | Low | 196 Ų | 196 | 128.8 Ų | 128.8 | 85% | 0.852 | 71% | 0.705 | S | S | * | * | trans | -61.9 | 78.6 | 163.8 | -76.4 | -165.5 | 175.7 | -177.4 | 0 | 107.1 | V42 G46 | V42-K44 HydrophobicContact CG1-CG 3.95Å; V42-K44 PolarHBondContact O-N 3.39Å; K44-G46 PolarHBondContact O-N 3.18Å | ||
| 45 | R | 65.8 | Low | 63.5 | Low | 133 Ų | 133 | 125.4 Ų | 125.4 | 50% | 0.502 | 70% | 0.699 | S | S | . | * | trans | -86.5 | 101.6 | 175.9 | -81.2 | -161.4 | 159.2 | -147.2 | 4.5 | 105.9 | E43 I49 | E43-R45 HydrophobicContact CB-CG 3.78Å; E43-R45 PolarHBondContact O-N 3.09Å; E43-R45 WeakPolarHBondContact OE2-CD 3.42Å; E43-R45 IonicContact OE2-CZ 3.47Å; E43-R45 IonicContact OE2-NE 3.02Å; E43-R45 PolarHBondContact OE2-NE 3.23Å; E43-R45 IonicContact OE2-NH2 3.59Å; R45-I49 HydrophobicContact CB-CB 3.93Å; R45-I49 HydrophobicContact CB-CD1 3.68Å; R45-I49 HydrophobicContact CB-CG1 3.68Å; R45-I49 HydrophobicContact CB-CG2 3.32Å; R45-I49 HydrophobicContact CG-CB 4.13Å; R45-I49 HydrophobicContact CG-CD1 4.18Å; R45-I49 HydrophobicContact CG-CG1 4.33Å; R45-I49 HydrophobicContact CG-CG2 3.43Å; R45-I49 VanDerWaalsContact CG-CG2 3.43Å | ||
| 46 | G | 65.4 | Low | 64.8 | Low | 45 Ų | 45 | 124.8 Ų | 124.8 | 46% | 0.464 | 69% | 0.688 | S | S | . | * | trans | -57.2 | 176.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | K44 Y48 | K44-G46 PolarHBondContact O-N 3.18Å; G46-Y48 PolarHBondContact O-N 3.35Å | ||
| 47 | P | 68.4 | Low | 67 | Low | 154 Ų | 154 | 122.6 Ų | 122.6 | 100% | 1 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -54.2 | -10.2 | -169.8 | -26.7 | 34.4 | 0 | 0 | 0 | 116.6 | ||
| 48 | Y | 64.1 | Low | 68.8 | Low | 192 Ų | 192 | 124.7 Ų | 124.7 | 75% | 0.753 | 67% | 0.665 | S | S | * | * | trans | -115.1 | 72.1 | -178.7 | -167.3 | -102.5 | 0 | 0 | 0 | 112 | G46 M50 | G46-Y48 PolarHBondContact O-N 3.35Å; Y48-M50 HydrophobicContact CE1-CG 4.49Å | ||
| 49 | I | 72.3 | Confident | 71.1 | Confident | 83 Ų | 83 | 128.5 Ų | 128.5 | 43% | 0.426 | 67% | 0.665 | S | S | . | * | trans | -119.8 | 100.6 | 167.4 | 58 | 134.3 | 0 | 0 | 0 | 110.7 | R45 S51 | R45-I49 HydrophobicContact CB-CB 3.93Å; R45-I49 HydrophobicContact CB-CD1 3.68Å; R45-I49 HydrophobicContact CB-CG1 3.68Å; R45-I49 HydrophobicContact CB-CG2 3.32Å; R45-I49 HydrophobicContact CG-CB 4.13Å; R45-I49 HydrophobicContact CG-CD1 4.18Å; R45-I49 HydrophobicContact CG-CG1 4.33Å; R45-I49 HydrophobicContact CG-CG2 3.43Å; R45-I49 VanDerWaalsContact CG-CG2 3.43Å; I49-S51 PolarHBondContact O-N 3.36Å | ||
| 50 | M | 73.8 | Confident | 73 | Confident | 118 Ų | 118 | 125 Ų | 125 | 58% | 0.581 | 65% | 0.648 | S | S | * | * | trans | -64.2 | 110.5 | 172.4 | -59 | -153.9 | 77.9 | 0 | 0 | 108.2 | Y48 R52 | Y48-M50 HydrophobicContact CE1-CG 4.49Å; M50-R52 PolarHBondContact O-N 3.13Å | ||
| 51 | S | 70.7 | Confident | 75 | Confident | 129 Ų | 129 | 118.9 Ų | 118.9 | 90% | 0.902 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -65.3 | -17.1 | 178 | 51 | 0 | 0 | 0 | 0 | 112.6 | I49 | I49-S51 PolarHBondContact O-N 3.36Š|
| 52 | R | 77.3 | Confident | 77 | Confident | 210 Ų | 210 | 120.5 Ų | 120.5 | 79% | 0.792 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -112.2 | 133.3 | 176.6 | -166.5 | 174.8 | -173.3 | 179.2 | 2.5 | 110.6 | M50 | M50-R52 PolarHBondContact O-N 3.13Š|
| 53 | A | 75.9 | Confident | 79 | Confident | 68 Ų | 68 | 120.3 Ų | 120.3 | 56% | 0.562 | 62% | 0.615 | S | S | * | * | trans | -59.4 | 133 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | H57 | A53-H57 HydrophobicContact CB-CB 4.33Š| ||
| 54 | P | 81.5 | Confident | 80.7 | Confident | 78 Ų | 78 | 121.9 Ų | 121.9 | 51% | 0.506 | 62% | 0.616 | S | S | . | * | trans | -55.3 | 145.6 | 177.4 | -25.9 | 34 | 0 | 0 | 0 | 111.6 | I56 H57 | P54-I56 PolarHBondContact O-N 3.35Å; P54-H57 VanDerWaalsContact O-CB 3.28Å; P54-H57 WeakPolarHBondContact O-CB 3.26Å; P54-H57 PolarHBondContact O-N 3.28Å | ||
| 55 | A | 80.4 | Confident | 82.1 | Confident | 76 Ų | 76 | 115.7 Ų | 115.7 | 63% | 0.628 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -56.2 | -22.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | H57 L58 K59 | A55-H57 VanDerWaalsContact C-N 3.27Å; A55-H57 PolarHBondContact O-N 3.01Å; A55-L58 PolarHBondContact O-N 3.11Å; A55-K59 PolarHBondContact O-N 3.21Å |
| 56 | I | 85.9 | Confident | 83.4 | Confident | 108 Ų | 108 | 114.3 Ų | 114.3 | 55% | 0.554 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -57.8 | -39.8 | 171.5 | -62 | 169 | 0 | 0 | 0 | 111.2 | P54 L58 K59 L60 | P54-I56 PolarHBondContact O-N 3.35Å; I56-L58 VanDerWaalsContact C-N 3.3Å; I56-L58 PolarHBondContact O-N 3Å; I56-K59 PolarHBondContact O-N 3.37Å; I56-L60 HydrophobicContact CG2-CD1 3.91Å; I56-L60 HydrophobicContact CG2-CG 4.23Å; I56-L60 WeakPolarHBondContact O-CG 3.41Å; I56-L60 PolarHBondContact O-N 3.09Å |
| 57 | H | 89 | Confident | 84.6 | Confident | 109 Ų | 109 | 116.8 Ų | 116.8 | 51% | 0.505 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.3 | -39.8 | -179.4 | -152.8 | 107.8 | 0 | 0 | 0 | 111.5 | A53 P54 A55 L60 Q61 | A53-H57 HydrophobicContact CB-CB 4.33Å; P54-H57 VanDerWaalsContact O-CB 3.28Å; P54-H57 WeakPolarHBondContact O-CB 3.26Å; P54-H57 PolarHBondContact O-N 3.28Å; A55-H57 VanDerWaalsContact C-N 3.27Å; A55-H57 PolarHBondContact O-N 3.01Å; H57-L60 PolarHBondContact O-N 3.29Å; H57-Q61 WeakPolarHBondContact O-CB 3.47Å; H57-Q61 PolarHBondContact O-N 2.97Å |
| 58 | L | 91 | Very high | 85.5 | Confident | 123 Ų | 123 | 116.5 Ų | 116.5 | 64% | 0.644 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.9 | -43.9 | 176.6 | -176.4 | 63.7 | 0 | 0 | 0 | 111.6 | A55 I56 L60 Q61 K62 | A55-L58 PolarHBondContact O-N 3.11Å; I56-L58 VanDerWaalsContact C-N 3.3Å; I56-L58 PolarHBondContact O-N 3Å; L58-L60 VanDerWaalsContact C-N 3.34Å; L58-L60 PolarHBondContact O-N 3.22Å; L58-Q61 PolarHBondContact O-N 3.48Å; L58-K62 WeakPolarHBondContact O-CB 3.47Å; L58-K62 PolarHBondContact O-N 3.35Å |
| 59 | K | 94.3 | Very high | 86.6 | Confident | 136 Ų | 136 | 114.2 Ų | 114.2 | 59% | 0.591 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.8 | -41.5 | 176.7 | -70.7 | -171.4 | -71.7 | -178.8 | 0 | 111.9 | A55 I56 H63 | A55-K59 PolarHBondContact O-N 3.21Å; I56-K59 PolarHBondContact O-N 3.37Å; K59-H63 PolarHBondContact O-N 3.12Å; K59-H63 PolarHBondContact O-ND1 2.94Å |
| 60 | L | 94.7 | Very high | 87 | Confident | 94 Ų | 94 | 112.5 Ų | 112.5 | 49% | 0.492 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.8 | -43.5 | 176 | -71.6 | 174.7 | 0 | 0 | 0 | 112 | I56 H57 L58 K62 H63 R64 | I56-L60 HydrophobicContact CG2-CD1 3.91Å; I56-L60 HydrophobicContact CG2-CG 4.23Å; I56-L60 WeakPolarHBondContact O-CG 3.41Å; I56-L60 PolarHBondContact O-N 3.09Å; H57-L60 PolarHBondContact O-N 3.29Å; L58-L60 VanDerWaalsContact C-N 3.34Å; L58-L60 PolarHBondContact O-N 3.22Å; L60-K62 PolarHBondContact O-N 2.89Å; L60-H63 PolarHBondContact O-N 2.94Å; L60-R64 WeakPolarHBondContact O-CG 3.43Å; L60-R64 PolarHBondContact O-N 3.28Å |
| 61 | Q | 92.7 | Very high | 87 | Confident | 89 Ų | 89 | 111.5 Ų | 111.5 | 42% | 0.416 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.9 | -44.7 | 177.1 | -177.4 | 176.2 | -4.6 | 0 | 0 | 111.5 | H57 L58 H63 R64 E65 | H57-Q61 WeakPolarHBondContact O-CB 3.47Å; H57-Q61 PolarHBondContact O-N 2.97Å; L58-Q61 PolarHBondContact O-N 3.48Å; Q61-H63 VanDerWaalsContact C-N 3.33Å; Q61-H63 PolarHBondContact O-N 2.98Å; Q61-R64 PolarHBondContact O-N 3.24Å; Q61-E65 WeakPolarHBondContact CG-OE1 3.39Å; Q61-E65 PolarHBondContact NE2-OE1 2.84Å; Q61-E65 VanDerWaalsContact NE2-OE1 3.09Å; Q61-E65 WeakPolarHBondContact O-CG 3.43Å; Q61-E65 PolarHBondContact O-N 3.39Å |
| 62 | K | 95.2 | Very high | 87 | Confident | 141 Ų | 141 | 113.1 Ų | 113.1 | 61% | 0.613 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -57.3 | -44.1 | 175.7 | -174.2 | -177.6 | 178.4 | -176.9 | 0 | 111.9 | L58 L60 E65 M66 | L58-K62 WeakPolarHBondContact O-CB 3.47Å; L58-K62 PolarHBondContact O-N 3.35Å; L60-K62 PolarHBondContact O-N 2.89Å; K62-E65 PolarHBondContact O-N 3.47Å; K62-M66 WeakPolarHBondContact O-CB 3.42Å; K62-M66 PolarHBondContact O-N 2.62Å |
| 63 | H | 95.8 | Very high | 86.4 | Confident | 118 Ų | 118 | 112 Ų | 112 | 55% | 0.546 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.2 | -46.9 | 176 | -91.3 | 80.7 | 0 | 0 | 0 | 112.4 | K59 L60 Q61 E65 M66 V67 | K59-H63 PolarHBondContact O-N 3.12Å; K59-H63 PolarHBondContact O-ND1 2.94Å; L60-H63 PolarHBondContact O-N 2.94Å; Q61-H63 VanDerWaalsContact C-N 3.33Å; Q61-H63 PolarHBondContact O-N 2.98Å; H63-E65 VanDerWaalsContact C-N 3.25Å; H63-E65 PolarHBondContact O-N 2.97Å; H63-M66 WeakPolarHBondContact O-CB 3.35Å; H63-M66 PolarHBondContact O-N 3.32Å; H63-M66 VanDerWaalsContact O-N 3.12Å; H63-V67 WeakPolarHBondContact O-CG2 3.4Å; H63-V67 PolarHBondContact O-N 3.29Å |
| 64 | R | 95.7 | Very high | 85.6 | Confident | 159 Ų | 159 | 116.3 Ų | 116.3 | 60% | 0.6 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -56.4 | -41.1 | 176.9 | -71.6 | 171.7 | 174.3 | -171.7 | -2.3 | 111.9 | L60 Q61 R68 | L60-R64 WeakPolarHBondContact O-CG 3.43Å; L60-R64 PolarHBondContact O-N 3.28Å; Q61-R64 PolarHBondContact O-N 3.24Å; R64-R68 WeakPolarHBondContact O-CG 3.42Å; R64-R68 PolarHBondContact O-N 3.2Å; R64-R68 VanDerWaalsContact O-N 3.12Å; R64-R68 PolarHBondContact O-NE 3.09Å |
| 65 | E | 94.3 | Very high | 84.5 | Confident | 67 Ų | 67 | 117.1 Ų | 117.1 | 31% | 0.313 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -71 | -38.6 | 177.1 | -72.2 | 175.5 | -164.5 | 0 | 0 | 112.6 | Q61 K62 H63 R68 K69 | Q61-E65 WeakPolarHBondContact CG-OE1 3.39Å; Q61-E65 PolarHBondContact NE2-OE1 2.84Å; Q61-E65 VanDerWaalsContact NE2-OE1 3.09Å; Q61-E65 WeakPolarHBondContact O-CG 3.43Å; Q61-E65 PolarHBondContact O-N 3.39Å; K62-E65 PolarHBondContact O-N 3.47Å; H63-E65 VanDerWaalsContact C-N 3.25Å; H63-E65 PolarHBondContact O-N 2.97Å; E65-R68 PolarHBondContact O-N 3.45Å; E65-K69 WeakPolarHBondContact O-CB 3.35Å; E65-K69 WeakPolarHBondContact O-CG 3.35Å; E65-K69 PolarHBondContact O-N 2.59Å |
| 66 | M | 92.4 | Very high | 83.6 | Confident | 104 Ų | 104 | 119.6 Ų | 119.6 | 51% | 0.512 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.6 | -46 | 175.7 | -171.9 | -171.2 | -60.3 | 0 | 0 | 111.4 | K62 H63 K69 A70 | K62-M66 WeakPolarHBondContact O-CB 3.42Å; K62-M66 PolarHBondContact O-N 2.62Å; H63-M66 WeakPolarHBondContact O-CB 3.35Å; H63-M66 PolarHBondContact O-N 3.32Å; H63-M66 VanDerWaalsContact O-N 3.12Å; M66-K69 PolarHBondContact O-N 3.32Å; M66-A70 WeakPolarHBondContact O-CB 3.39Å; M66-A70 PolarHBondContact O-N 3.41Å |
| 67 | V | 90.7 | Very high | 82 | Confident | 97 Ų | 97 | 119.6 Ų | 119.6 | 59% | 0.588 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.4 | -45.6 | 176.3 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | H63 K69 A70 L71 | H63-V67 WeakPolarHBondContact O-CG2 3.4Å; H63-V67 PolarHBondContact O-N 3.29Å; V67-K69 VanDerWaalsContact C-N 3.3Å; V67-K69 PolarHBondContact O-N 2.83Å; V67-A70 PolarHBondContact O-N 2.93Å; V67-L71 WeakPolarHBondContact O-CB 3.41Å; V67-L71 PolarHBondContact O-N 3.12Å |
| 68 | R | 88.1 | Confident | 80.7 | Confident | 147 Ų | 147 | 118.7 Ų | 118.7 | 56% | 0.555 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -58.4 | -40.9 | 174.5 | -79.8 | -176.4 | -94.4 | 128.3 | -6.1 | 112.3 | R64 E65 K72 | R64-R68 WeakPolarHBondContact O-CG 3.42Å; R64-R68 PolarHBondContact O-N 3.2Å; R64-R68 VanDerWaalsContact O-N 3.12Å; R64-R68 PolarHBondContact O-NE 3.09Å; E65-R68 PolarHBondContact O-N 3.45Å; R68-K72 WeakPolarHBondContact O-CB 3.28Å; R68-K72 PolarHBondContact O-N 3.49Å |
| 69 | K | 86.2 | Confident | 79.1 | Confident | 144 Ų | 144 | 116 Ų | 116 | 63% | 0.626 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.7 | -40.4 | 176.3 | -76.1 | 177 | 179.3 | 177.7 | 0 | 112.2 | E65 M66 V67 K72 K73 | E65-K69 WeakPolarHBondContact O-CB 3.35Å; E65-K69 WeakPolarHBondContact O-CG 3.35Å; E65-K69 PolarHBondContact O-N 2.59Å; M66-K69 PolarHBondContact O-N 3.32Å; V67-K69 VanDerWaalsContact C-N 3.3Å; V67-K69 PolarHBondContact O-N 2.83Å; K69-K72 PolarHBondContact O-N 2.97Å; K69-K73 PolarHBondContact O-N 3.01Å |
| 70 | A | 81.9 | Confident | 76.6 | Confident | 48 Ų | 48 | 115.4 Ų | 115.4 | 40% | 0.397 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64 | -47.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | M66 V67 K72 K73 K74 | M66-A70 WeakPolarHBondContact O-CB 3.39Å; M66-A70 PolarHBondContact O-N 3.41Å; V67-A70 PolarHBondContact O-N 2.93Å; A70-K72 VanDerWaalsContact C-N 3.29Å; A70-K72 PolarHBondContact O-N 3.44Å; A70-K73 PolarHBondContact O-N 2.76Å; A70-K73 VanDerWaalsContact O-N 3.09Å; A70-K74 VanDerWaalsContact O-CG 3.26Å; A70-K74 WeakPolarHBondContact O-CG 3.34Å; A70-K74 PolarHBondContact O-N 3.26Å; A70-K74 VanDerWaalsContact O-N 3.13Å |
| 71 | L | 73.5 | Confident | 74.5 | Confident | 97 Ų | 97 | 116.3 Ų | 116.3 | 51% | 0.508 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -58.6 | -39.8 | 174.3 | -174 | 69.3 | 0 | 0 | 0 | 111.7 | V67 K73 K74 | V67-L71 WeakPolarHBondContact O-CB 3.41Å; V67-L71 PolarHBondContact O-N 3.12Å; L71-K73 VanDerWaalsContact C-N 3.3Å; L71-K73 PolarHBondContact O-N 2.79Å; L71-K74 CarbonylContact O-C 3.52Å; L71-K74 PolarHBondContact O-N 2.97Å |
| 72 | K | 69.9 | Low | 72.1 | Confident | 163 Ų | 163 | 118.3 Ų | 118.3 | 71% | 0.709 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -64.4 | -31.3 | 176.6 | -170.2 | 174.9 | -179 | 178.6 | 0 | 113.3 | R68 K69 A70 | R68-K72 WeakPolarHBondContact O-CB 3.28Å; R68-K72 PolarHBondContact O-N 3.49Å; K69-K72 PolarHBondContact O-N 2.97Å; A70-K72 VanDerWaalsContact C-N 3.29Å; A70-K72 PolarHBondContact O-N 3.44Å |
| 73 | K | 65 | Low | 70.1 | Confident | 187 Ų | 187 | 114.6 Ų | 114.6 | 81% | 0.813 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -83.1 | -18.8 | 178.3 | -70.9 | -171.6 | 175.5 | -169.6 | 0 | 113.4 | K69 A70 L71 | K69-K73 PolarHBondContact O-N 3.01Å; A70-K73 PolarHBondContact O-N 2.76Å; A70-K73 VanDerWaalsContact O-N 3.09Å; L71-K73 VanDerWaalsContact C-N 3.3Å; L71-K73 PolarHBondContact O-N 2.79Å |
| 74 | K | 60.3 | Low | 67.8 | Low | 158 Ų | 158 | 117.5 Ų | 117.5 | 69% | 0.687 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | 82.9 | 173.6 | -48.8 | -78.6 | -179.6 | 177.3 | 0 | 106.1 | A70 L71 L76 | A70-K74 VanDerWaalsContact O-CG 3.26Å; A70-K74 WeakPolarHBondContact O-CG 3.34Å; A70-K74 PolarHBondContact O-N 3.26Å; A70-K74 VanDerWaalsContact O-N 3.13Å; L71-K74 CarbonylContact O-C 3.52Å; L71-K74 PolarHBondContact O-N 2.97Å; K74-L76 VanDerWaalsContact C-N 3.28Å; K74-L76 PolarHBondContact O-N 3.03Å |
| 75 | A | 58.2 | Low | 65.5 | Low | 95 Ų | 95 | 117.2 Ų | 117.2 | 79% | 0.785 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.1 | 80.3 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 76 | L | 60.8 | Low | 63.5 | Low | 128 Ų | 128 | 119.5 Ų | 119.5 | 67% | 0.67 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -119.2 | 77.6 | 158.6 | -62.9 | 178.6 | 0 | 0 | 0 | 105.6 | K74 A78 | K74-L76 VanDerWaalsContact C-N 3.28Å; K74-L76 PolarHBondContact O-N 3.03Å; L76-A78 PolarHBondContact O-N 2.96Å |
| 77 | S | 52.2 | Low | 61.4 | Low | 107 Ų | 107 | 125.5 Ų | 125.5 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | trans | 39.4 | 78.1 | 155.3 | 60.5 | 0 | 0 | 0 | 0 | 118.4 | G79 | S77-G79 VanDerWaalsContact C-N 3.26Å; S77-G79 PolarHBondContact O-N 2.94Å; S77-G79 VanDerWaalsContact O-N 3.11Å | ||
| 78 | A | 62.3 | Low | 59.8 | Low | 90 Ų | 90 | 129.1 Ų | 129.1 | 74% | 0.744 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -78 | 83.3 | 147.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | L76 | L76-A78 PolarHBondContact O-N 2.96Š|
| 79 | G | 56.2 | Low | 58 | Low | 67 Ų | 67 | 125.2 Ų | 125.2 | 69% | 0.691 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 143.6 | 63 | 168 | 0 | 0 | 0 | 0 | 0 | 116.8 | S77 | S77-G79 VanDerWaalsContact C-N 3.26Å; S77-G79 PolarHBondContact O-N 2.94Å; S77-G79 VanDerWaalsContact O-N 3.11Å |
| 80 | L | 43.2 | Very low | 56.2 | Low | 124 Ų | 124 | 124.1 Ų | 124.1 | 65% | 0.649 | 71% | 0.706 | S | S | * | * | trans | -147.8 | 125.6 | 140.4 | -160.5 | 65.4 | 0 | 0 | 0 | 106.1 | V82 | L80-V82 PolarHBondContact O-N 2.73Å; L80-V82 VanDerWaalsContact O-N 3.09Å | ||
| 81 | P | 50.4 | Low | 55.2 | Low | 113 Ų | 113 | 130.7 Ų | 130.7 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | trans | -53.9 | 122.8 | 157.1 | 25.3 | -30.2 | 0 | 0 | 0 | 104.3 | A83 | P81-A83 WeakPolarHBondContact O-CB 3.34Å; P81-A83 PolarHBondContact O-N 3.32Å | ||
| 82 | V | 42.6 | Very low | 54.7 | Low | 130 Ų | 130 | 135.5 Ų | 135.5 | 79% | 0.788 | 74% | 0.737 | S | S | * | * | trans | -50.3 | 95.5 | -178.8 | 165.4 | 0 | 0 | 0 | 0 | 108.4 | L80 | L80-V82 PolarHBondContact O-N 2.73Å; L80-V82 VanDerWaalsContact O-N 3.09Å | ||
| 83 | A | 51.7 | Low | 54.3 | Low | 64 Ų | 64 | 134.1 Ų | 134.1 | 53% | 0.529 | 74% | 0.743 | S | S | . | * | trans | -100.9 | 29 | 179 | 0 | 0 | 0 | 0 | 0 | 108.6 | P81 | P81-A83 WeakPolarHBondContact O-CB 3.34Å; P81-A83 PolarHBondContact O-N 3.32Å | ||
| 84 | Q | 48.3 | Very low | 54 | Low | 178 Ų | 178 | 131.2 Ų | 131.2 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | trans | -114.3 | 48 | 157.4 | -67.3 | -170.7 | -42.5 | 0 | 0 | 108.4 | ||||
| 85 | Q | 47.8 | Very low | 54.7 | Low | 153 Ų | 153 | 131.2 Ų | 131.2 | 72% | 0.715 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -52.5 | 126.4 | 134.2 | -103.7 | -106.2 | -39.2 | 0 | 0 | 106.5 | R87 | Q85-R87 PolarHBondContact O-N 2.71Š|
| 86 | P | 51.3 | Low | 54.9 | Low | 116 Ų | 116 | 135 Ų | 135 | 75% | 0.753 | 74% | 0.739 | S | S | * | * | trans | -51.5 | 113.7 | 166.8 | -20.1 | 30.1 | 0 | 0 | 0 | 107.2 | Q88 | P86-Q88 PolarHBondContact O-N 2.88Š| ||
| 87 | R | 49.7 | Very low | 55.1 | Low | 230 Ų | 230 | 134.6 Ų | 134.6 | 87% | 0.868 | 74% | 0.738 | S | S | * | * | trans | -58.3 | 113.7 | 179.8 | -75.6 | -174.7 | -175.7 | -101.5 | 1.9 | 108.1 | Q85 | Q85-R87 PolarHBondContact O-N 2.71Š| ||
| 88 | Q | 55.7 | Low | 55.6 | Low | 173 Ų | 173 | 139.5 Ų | 139.5 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | trans | 28.9 | 96.4 | 146.3 | -59.8 | -169.4 | -10.7 | 0 | 0 | 116.3 | P86 | P86-Q88 PolarHBondContact O-N 2.88Š| ||
| 89 | G | 50 | Low | 55.9 | Low | 65 Ų | 65 | 137.9 Ų | 137.9 | 67% | 0.67 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -119.5 | 98.4 | 152.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 90 | V | 49.9 | Very low | 56.4 | Low | 120 Ų | 120 | 146.5 Ų | 146.5 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | 69.1 | 114.1 | 176.6 | -168.1 | 0 | 0 | 0 | 0 | 114.6 | R92 | V90-R92 HydrophobicContact CB-CG 4.47Å; V90-R92 HydrophobicContact CG1-CG 3.95Å; V90-R92 PolarHBondContact O-N 2.75Å | ||
| 91 | K | 60.3 | Low | 57.8 | Low | 186 Ų | 186 | 145 Ų | 145 | 81% | 0.809 | 76% | 0.756 | S | S | * | * | trans | -62.6 | 81.7 | 165.2 | -64.1 | -175.4 | -178.4 | -179.7 | 0 | 109.1 | T93 | K91-T93 PolarHBondContact O-N 3.23Š| ||
| 92 | R | 63.5 | Low | 58.6 | Low | 198 Ų | 198 | 144.5 Ų | 144.5 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | trans | -79.3 | 96.4 | 163.6 | -65.9 | -172.2 | -87.7 | 115 | -8 | 105.6 | V90 V94 | V90-R92 HydrophobicContact CB-CG 4.47Å; V90-R92 HydrophobicContact CG1-CG 3.95Å; V90-R92 PolarHBondContact O-N 2.75Å; R92-V94 WeakPolarHBondContact O-CG2 3.49Å; R92-V94 PolarHBondContact O-N 3.13Å | ||
| 93 | T | 61.3 | Low | 59.9 | Low | 135 Ų | 135 | 146 Ų | 146 | 83% | 0.828 | 77% | 0.765 | S | S | * | * | trans | -53 | 100.6 | 169.2 | 43.8 | 0 | 0 | 0 | 0 | 108.2 | K91 K95 | K91-T93 PolarHBondContact O-N 3.23Å; T93-K95 PolarHBondContact O-N 2.89Å; T93-K95 VanDerWaalsContact O-N 3.13Å | ||
| 94 | V | 59.4 | Low | 60.8 | Low | 125 Ų | 125 | 148.2 Ų | 148.2 | 76% | 0.758 | 78% | 0.776 | S | S | * | * | trans | -79.8 | 100.4 | 175.1 | -176.1 | 0 | 0 | 0 | 0 | 106.8 | R92 F96 | R92-V94 WeakPolarHBondContact O-CG2 3.49Å; R92-V94 PolarHBondContact O-N 3.13Å; V94-F96 PolarHBondContact O-N 3.17Å | ||
| 95 | K | 74.3 | Confident | 61.6 | Low | 158 Ų | 158 | 149 Ų | 149 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | trans | -63.8 | 114.5 | 165 | 178.3 | -179.9 | 167.9 | -174.5 | 0 | 106.5 | T93 N97 | T93-K95 PolarHBondContact O-N 2.89Å; T93-K95 VanDerWaalsContact O-N 3.13Å; K95-N97 PolarHBondContact O-N 3.08Å; K95-N97 VanDerWaalsContact O-N 3.08Å | ||
| 96 | F | 63 | Low | 62.4 | Low | 175 Ų | 175 | 144.6 Ų | 144.6 | 77% | 0.768 | 76% | 0.761 | S | S | * | * | trans | -63.4 | 113.4 | 169 | 55.3 | -90.2 | 0 | 0 | 0 | 107.2 | V94 | V94-F96 PolarHBondContact O-N 3.17Š| ||
| 97 | N | 63.8 | Low | 62.8 | Low | 119 Ų | 119 | 143.3 Ų | 143.3 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | trans | -84 | 125.2 | 171.2 | -68.8 | -50 | 0 | 0 | 0 | 107.1 | K95 G99 | K95-N97 PolarHBondContact O-N 3.08Å; K95-N97 VanDerWaalsContact O-N 3.08Å; N97-G99 VanDerWaalsContact C-N 3.3Å; N97-G99 PolarHBondContact O-N 3.03Å | ||
| 98 | K | 62.6 | Low | 63.4 | Low | 210 Ų | 210 | 139.8 Ų | 139.8 | 91% | 0.913 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -72.5 | 91.9 | 165.7 | -82.9 | 177.6 | 170.2 | -178.1 | 0 | 107.3 | ||
| 99 | G | 69.6 | Low | 63.5 | Low | 56 Ų | 56 | 138.4 Ų | 138.4 | 58% | 0.577 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 158.1 | 146.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | N97 A101 | N97-G99 VanDerWaalsContact C-N 3.3Å; N97-G99 PolarHBondContact O-N 3.03Å; G99-A101 PolarHBondContact O-N 3.43Å |
| 100 | Y | 66.9 | Low | 64.2 | Low | 249 Ų | 249 | 141.7 Ų | 141.7 | 98% | 0.976 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 128.8 | 172.3 | -67.1 | -85.8 | 0 | 0 | 0 | 109.7 | ||
| 101 | A | 70.8 | Confident | 64.8 | Low | 92 Ų | 92 | 144 Ų | 144 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 121 | 169 | 0 | 0 | 0 | 0 | 0 | 108.1 | G99 L103 | G99-A101 PolarHBondContact O-N 3.43Å; A101-L103 PolarHBondContact O-N 3.46Å |
| 102 | A | 69.1 | Low | 64.9 | Low | 103 Ų | 103 | 139.2 Ų | 139.2 | 85% | 0.851 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 127.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 103 | L | 69.8 | Low | 65.1 | Low | 161 Ų | 161 | 133.5 Ų | 133.5 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 139.9 | 168.3 | -63.9 | 173.5 | 0 | 0 | 0 | 108.2 | A101 Q105 | A101-L103 PolarHBondContact O-N 3.46Å; L103-Q105 PolarHBondContact O-N 2.81Å; L103-Q105 VanDerWaalsContact O-N 3.09Å |
| 104 | S | 70 | Confident | 65 | Low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | trans | -65.7 | 108.8 | 176.9 | 52.8 | 0 | 0 | 0 | 0 | 109.4 | N106 | S104-N106 PolarHBondContact O-N 3.16Š| ||
| 105 | Q | 64.6 | Low | 65.1 | Low | 196 Ų | 196 | 134.7 Ų | 134.7 | 92% | 0.916 | 73% | 0.732 | S | S | * | * | trans | -83.3 | 105.7 | 167.6 | -67.9 | 177.3 | -34.2 | 0 | 0 | 107.1 | L103 | L103-Q105 PolarHBondContact O-N 2.81Å; L103-Q105 VanDerWaalsContact O-N 3.09Å | ||
| 106 | N | 64.8 | Low | 64.1 | Low | 60 Ų | 60 | 132.2 Ų | 132.2 | 32% | 0.321 | 73% | 0.734 | S | S | . | * | trans | -97.4 | 145.2 | 168.8 | 60.6 | -7 | 0 | 0 | 0 | 109.5 | S104 E108 E109 | S104-N106 PolarHBondContact O-N 3.16Å; N106-E108 HydrophobicContact CB-CG 4.22Å; N106-E108 VanDerWaalsContact CB-OE1 3.3Å; N106-E108 WeakPolarHBondContact CB-OE1 3.44Å; N106-E108 WeakPolarHBondContact ND2-CG 3.42Å; N106-E108 PolarHBondContact ND2-OE1 3.42Å; N106-E108 PolarHBondContact O-N 3.1Å; N106-E109 PolarHBondContact O-N 3.48Å; N106-E109 WeakPolarHBondContact OD1-CG 3.35Å | ||
| 107 | A | 60.5 | Low | 63.9 | Low | 89 Ų | 89 | 131.1 Ų | 131.1 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -69.7 | -20.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E109 M110 | A107-E109 VanDerWaalsContact C-N 3.28Å; A107-E109 PolarHBondContact O-N 3.19Å; A107-M110 WeakPolarHBondContact O-CB 3.45Å; A107-M110 PolarHBondContact O-N 3.42Å |
| 108 | E | 61.6 | Low | 63.6 | Low | 156 Ų | 156 | 129.9 Ų | 129.9 | 73% | 0.729 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -73.4 | -8.2 | 176.3 | 55.4 | -94.3 | -168.2 | 0 | 0 | 115.5 | N106 M110 | N106-E108 HydrophobicContact CB-CG 4.22Å; N106-E108 VanDerWaalsContact CB-OE1 3.3Å; N106-E108 WeakPolarHBondContact CB-OE1 3.44Å; N106-E108 WeakPolarHBondContact ND2-CG 3.42Å; N106-E108 PolarHBondContact ND2-OE1 3.42Å; N106-E108 PolarHBondContact O-N 3.1Å; E108-M110 VanDerWaalsContact C-N 3.34Å |
| 109 | E | 58.5 | Low | 63.3 | Low | 143 Ų | 143 | 127 Ų | 127 | 67% | 0.668 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -96 | 26.4 | 168.7 | -74.1 | -172.4 | 175.7 | 0 | 0 | 112.6 | N106 A107 L111 | N106-E109 PolarHBondContact O-N 3.48Å; N106-E109 WeakPolarHBondContact OD1-CG 3.35Å; A107-E109 VanDerWaalsContact C-N 3.28Å; A107-E109 PolarHBondContact O-N 3.19Å; E109-L111 VanDerWaalsContact C-N 3.29Å; E109-L111 PolarHBondContact O-N 2.91Å |
| 110 | M | 62.8 | Low | 62.9 | Low | 134 Ų | 134 | 132 Ų | 132 | 66% | 0.66 | 74% | 0.74 | S | S | * | * | trans | -68.6 | 89.3 | 171.1 | -166.4 | 171.5 | 74.5 | 0 | 0 | 109.3 | A107 E108 V112 | A107-M110 WeakPolarHBondContact O-CB 3.45Å; A107-M110 PolarHBondContact O-N 3.42Å; E108-M110 VanDerWaalsContact C-N 3.34Å; M110-V112 PolarHBondContact O-N 2.96Å | ||
| 111 | L | 64 | Low | 62.6 | Low | 168 Ų | 168 | 128.7 Ų | 128.7 | 88% | 0.88 | 73% | 0.734 | S | S | * | * | trans | -65.3 | 8 | -178.7 | -61.8 | 177.5 | 0 | 0 | 0 | 114.3 | E109 | E109-L111 VanDerWaalsContact C-N 3.29Å; E109-L111 PolarHBondContact O-N 2.91Å | ||
| 112 | V | 61.4 | Low | 61.8 | Low | 86 Ų | 86 | 130.7 Ų | 130.7 | 52% | 0.521 | 73% | 0.73 | S | S | . | * | trans | -131.3 | 106 | -176.8 | -173.2 | 0 | 0 | 0 | 0 | 108 | M110 L114 | M110-V112 PolarHBondContact O-N 2.96Å; V112-L114 HydrophobicContact CG1-CD2 3.59Å; V112-L114 HydrophobicContact CG1-CG 4.19Å; V112-L114 PolarHBondContact O-N 3.16Å | ||
| 113 | A | 67.8 | Low | 60.9 | Low | 78 Ų | 78 | 132 Ų | 132 | 65% | 0.645 | 72% | 0.722 | S | S | * | * | trans | -74.4 | 115.2 | 163 | 0 | 0 | 0 | 0 | 0 | 107.3 | D115 | A113-D115 VanDerWaalsContact C-N 3.27Š| ||
| 114 | L | 59.2 | Low | 60.1 | Low | 147 Ų | 147 | 132.7 Ų | 132.7 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | trans | -89.3 | 12.9 | 179.3 | -65 | 175.1 | 0 | 0 | 0 | 112.3 | V112 S116 | V112-L114 HydrophobicContact CG1-CD2 3.59Å; V112-L114 HydrophobicContact CG1-CG 4.19Å; V112-L114 PolarHBondContact O-N 3.16Å; L114-S116 VanDerWaalsContact C-N 3.26Å; L114-S116 PolarHBondContact O-N 2.89Å | ||
| 115 | D | 61.7 | Low | 59.5 | Low | 139 Ų | 139 | 135.7 Ų | 135.7 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | trans | -91.6 | 36.1 | -178.9 | 73.8 | -27.7 | 0 | 0 | 0 | 112.9 | A113 D117 | A113-D115 VanDerWaalsContact C-N 3.27Å; D115-D117 VanDerWaalsContact C-N 3.34Å; D115-D117 PolarHBondContact O-N 3.11Å | ||
| 116 | S | 54.1 | Low | 58.9 | Low | 106 Ų | 106 | 134.8 Ų | 134.8 | 74% | 0.741 | 72% | 0.717 | S | S | * | * | trans | -79.3 | 91.1 | 156.3 | -89.6 | 0 | 0 | 0 | 0 | 108.4 | L114 S118 | L114-S116 VanDerWaalsContact C-N 3.26Å; L114-S116 PolarHBondContact O-N 2.89Å; S116-S118 VanDerWaalsContact C-N 3.28Å; S116-S118 PolarHBondContact O-N 2.84Å | ||
| 117 | D | 59 | Low | 58.3 | Low | 152 Ų | 152 | 139.8 Ų | 139.8 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | trans | -69.4 | 85.4 | 163.2 | 178.5 | 7.3 | 0 | 0 | 0 | 108.8 | D115 | D115-D117 VanDerWaalsContact C-N 3.34Å; D115-D117 PolarHBondContact O-N 3.11Å | ||
| 118 | S | 56.1 | Low | 57.9 | Low | 93 Ų | 93 | 140.8 Ų | 140.8 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | trans | -117.8 | 102 | 161.9 | 64.7 | 0 | 0 | 0 | 0 | 108.3 | S116 E120 | S116-S118 VanDerWaalsContact C-N 3.28Å; S116-S118 PolarHBondContact O-N 2.84Å; S118-E120 PolarHBondContact O-N 3.4Å | ||
| 119 | D | 56.2 | Low | 57.2 | Low | 148 Ų | 148 | 138.1 Ų | 138.1 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | trans | -68.2 | 69.9 | 175 | -156.9 | -83.3 | 0 | 0 | 0 | 110.9 | ||||
| 120 | E | 61.3 | Low | 57 | Low | 162 Ų | 162 | 134.6 Ų | 134.6 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | trans | -102.5 | 104.2 | 165.8 | -163.8 | 159.5 | 175 | 0 | 0 | 107 | S118 I122 | S118-E120 PolarHBondContact O-N 3.4Å; E120-I122 VanDerWaalsContact C-N 3.31Å; E120-I122 VanDerWaalsContact O-CG1 3.3Å; E120-I122 WeakPolarHBondContact O-CG1 3.5Å; E120-I122 PolarHBondContact O-N 3.33Å | ||
| 121 | E | 60.9 | Low | 56.5 | Low | 180 Ų | 180 | 139.8 Ų | 139.8 | 84% | 0.841 | 75% | 0.748 | S | S | * | * | trans | -59 | 94.8 | 170.2 | -73.8 | -157.4 | 138.5 | 0 | 0 | 109 | D123 | E121-D123 PolarHBondContact O-N 3.09Š| ||
| 122 | I | 55.2 | Low | 55.7 | Low | 134 Ų | 134 | 134.8 Ų | 134.8 | 69% | 0.687 | 73% | 0.728 | S | S | * | * | trans | -82.1 | 99 | 171.2 | -32.1 | 175.4 | 0 | 0 | 0 | 106.3 | E120 F124 | E120-I122 VanDerWaalsContact C-N 3.31Å; E120-I122 VanDerWaalsContact O-CG1 3.3Å; E120-I122 WeakPolarHBondContact O-CG1 3.5Å; E120-I122 PolarHBondContact O-N 3.33Å; I122-F124 VanDerWaalsContact C-N 3.33Å; I122-F124 PolarHBondContact O-N 2.93Å | ||
| 123 | D | 50.2 | Low | 55.2 | Low | 129 Ų | 129 | 137.1 Ų | 137.1 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | trans | -56.8 | 94.6 | 171.5 | -107.3 | -25.9 | 0 | 0 | 0 | 109.5 | E121 E125 | E121-D123 PolarHBondContact O-N 3.09Å; D123-E125 PolarHBondContact O-N 3.46Å | ||
| 124 | F | 51.9 | Low | 54.6 | Low | 176 Ų | 176 | 137.2 Ų | 137.2 | 77% | 0.772 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -73.6 | -4.8 | -176.6 | -156.6 | -96.5 | 0 | 0 | 0 | 112.7 | I122 Q126 | I122-F124 VanDerWaalsContact C-N 3.33Å; I122-F124 PolarHBondContact O-N 2.93Å; F124-Q126 VanDerWaalsContact C-N 3.32Å; F124-Q126 PolarHBondContact O-N 3.15Å |
| 125 | E | 56.9 | Low | 54.6 | Low | 174 Ų | 174 | 136.6 Ų | 136.6 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -78 | -11.7 | -175 | -69.3 | -77.1 | 149.4 | 0 | 0 | 113.5 | D123 | D123-E125 PolarHBondContact O-N 3.46Š|
| 126 | Q | 54 | Low | 54.7 | Low | 176 Ų | 176 | 132.8 Ų | 132.8 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -96.4 | -1.5 | -178.2 | -154 | 152 | 13.7 | 0 | 0 | 114.8 | F124 | F124-Q126 VanDerWaalsContact C-N 3.32Å; F124-Q126 PolarHBondContact O-N 3.15Å |
| 127 | Y | 51.1 | Low | 55.6 | Low | 166 Ų | 166 | 132.9 Ų | 132.9 | 65% | 0.651 | 71% | 0.712 | S | S | * | * | trans | -95.2 | 16.8 | 177.7 | -71.7 | -80.4 | 0 | 0 | 0 | 114.1 | S129 | Y127-S129 PolarHBondContact O-N 3.13Š| ||
| 128 | S | 51.7 | Low | 56.4 | Low | 109 Ų | 109 | 129.3 Ų | 129.3 | 76% | 0.762 | 70% | 0.697 | S | S | * | * | trans | -89.6 | 82.2 | 162.9 | -98.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 129 | S | 47.3 | Very low | 57.8 | Low | 101 Ų | 101 | 129.2 Ų | 129.2 | 71% | 0.706 | 69% | 0.689 | S | S | * | * | trans | -158.1 | 105.4 | 150 | -83.8 | 0 | 0 | 0 | 0 | 109.4 | Y127 | Y127-S129 PolarHBondContact O-N 3.13Š| ||
| 130 | G | 53.7 | Low | 59.2 | Low | 69 Ų | 69 | 127.1 Ų | 127.1 | 71% | 0.711 | 68% | 0.677 | S | S | * | * | trans | -63.7 | 143.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 131 | Y | 52.4 | Low | 60.2 | Low | 242 Ų | 242 | 121.8 Ų | 121.8 | 95% | 0.949 | 66% | 0.658 | S | S | * | * | trans | 73.3 | 82.6 | 173.7 | -57.7 | -86.7 | 0 | 0 | 0 | 115.6 | ||||
| 132 | S | 47.9 | Very low | 61.4 | Low | 63 Ų | 63 | 119.2 Ų | 119.2 | 44% | 0.441 | 64% | 0.644 | S | S | . | * | trans | -144.1 | 99.4 | 151.6 | -164.5 | 0 | 0 | 0 | 0 | 110.3 | A134 E135 | S132-A134 PolarHBondContact O-N 3Å; S132-E135 PolarHBondContact O-N 3.42Å | ||
| 133 | S | 51.8 | Low | 63.1 | Low | 135 Ų | 135 | 117.1 Ų | 117.1 | 94% | 0.944 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 5.5 | 169.2 | -62.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 134 | A | 54.9 | Low | 65 | Low | 80 Ų | 80 | 113.7 Ų | 113.7 | 66% | 0.661 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -2.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S132 V136 | S132-A134 PolarHBondContact O-N 3Å; A134-V136 PolarHBondContact O-N 3.45Å |
| 135 | E | 58.9 | Low | 66.6 | Low | 135 Ų | 135 | 110.3 Ų | 110.3 | 63% | 0.631 | 60% | 0.602 | S | S | * | * | trans | -80.4 | 58.6 | 175.9 | -69.2 | 166.1 | -153.5 | 0 | 0 | 110.8 | S132 H137 | S132-E135 PolarHBondContact O-N 3.42Å; E135-H137 PolarHBondContact O-N 3.43Å | ||
| 136 | V | 62.6 | Low | 68.3 | Low | 58 Ų | 58 | 109.3 Ų | 109.3 | 35% | 0.352 | 60% | 0.597 | S | S | . | * | trans | -71.2 | 119.2 | 165 | -178.8 | 0 | 0 | 0 | 0 | 106.6 | A134 L140 L151 | A134-V136 PolarHBondContact O-N 3.45Å; V136-L140 HydrophobicContact CG1-CB 4.07Å; V136-L151 HydrophobicContact CG2-CD1 4.03Å | ||
| 137 | H | 73.6 | Confident | 70.1 | Confident | 109 Ų | 109 | 105.4 Ų | 105.4 | 51% | 0.505 | 58% | 0.582 | S | S | . | * | trans | -48.7 | 127.7 | 174.1 | -171.3 | -91.1 | 0 | 0 | 0 | 109 | E135 D139 L140 S141 | E135-H137 PolarHBondContact O-N 3.43Å; H137-D139 IonicContact CE1-OD2 3.29Å; H137-D139 PolarHBondContact CE1-OD2 3.47Å; H137-D139 VanDerWaalsContact CE1-OD2 3.29Å; H137-D139 PolarHBondContact ND1-N 2.96Å; H137-D139 IonicContact ND1-OD2 3.8Å; H137-D139 PolarHBondContact O-N 3.48Å; H137-L140 HydrophobicContact CB-CB 4.41Å; H137-L140 HydrophobicContact CB-CD1 3.8Å; H137-L140 HydrophobicContact CB-CG 4.03Å; H137-L140 WeakPolarHBondContact O-CA 3.4Å; H137-L140 WeakPolarHBondContact O-CB 3.48Å; H137-L140 PolarHBondContact O-N 3.31Å; H137-S141 PolarHBondContact O-N 2.9Å | ||
| 138 | P | 76.9 | Confident | 72 | Confident | 77 Ų | 77 | 99.8 Ų | 99.8 | 50% | 0.5 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.7 | -18 | -168.4 | 23.6 | -35.3 | 0 | 0 | 0 | 113.8 | S141 K142 | P138-S141 PolarHBondContact O-OG 3.35Å; P138-K142 WeakPolarHBondContact O-CD 3.29Å; P138-K142 WeakPolarHBondContact O-CE 3.28Å; P138-K142 VanDerWaalsContact O-CG 3.25Å; P138-K142 WeakPolarHBondContact O-CG 3.3Å; P138-K142 PolarHBondContact O-N 3.3Å |
| 139 | D | 84.3 | Confident | 73.7 | Confident | 90 Ų | 90 | 102.3 Ų | 102.3 | 48% | 0.481 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -85.2 | -27.5 | 174.6 | -59.6 | -33 | 0 | 0 | 0 | 113.3 | H137 K142 Q143 | H137-D139 IonicContact CE1-OD2 3.29Å; H137-D139 PolarHBondContact CE1-OD2 3.47Å; H137-D139 VanDerWaalsContact CE1-OD2 3.29Å; H137-D139 PolarHBondContact ND1-N 2.96Å; H137-D139 IonicContact ND1-OD2 3.8Å; H137-D139 PolarHBondContact O-N 3.48Å; D139-K142 IonicContact OD1-NZ 2.76Å; D139-K142 PolarHBondContact OD1-NZ 3.02Å; D139-Q143 PolarHBondContact O-N 3.09Å; D139-Q143 VanDerWaalsContact O-N 3.11Å |
| 140 | L | 84.9 | Confident | 75.4 | Confident | 105 Ų | 105 | 104.5 Ų | 104.5 | 55% | 0.55 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -70 | -39.9 | 172 | -66.6 | 172.7 | 0 | 0 | 0 | 110.6 | V136 H137 K142 Q143 L144 | V136-L140 HydrophobicContact CG1-CB 4.07Å; H137-L140 HydrophobicContact CB-CB 4.41Å; H137-L140 HydrophobicContact CB-CD1 3.8Å; H137-L140 HydrophobicContact CB-CG 4.03Å; H137-L140 WeakPolarHBondContact O-CA 3.4Å; H137-L140 WeakPolarHBondContact O-CB 3.48Å; H137-L140 PolarHBondContact O-N 3.31Å; L140-K142 VanDerWaalsContact C-N 3.34Å; L140-K142 PolarHBondContact O-N 3.11Å; L140-Q143 PolarHBondContact O-N 3.37Å; L140-L144 WeakPolarHBondContact O-CB 3.2Å; L140-L144 VanDerWaalsContact O-CG 3.27Å; L140-L144 WeakPolarHBondContact O-CG 3.42Å; L140-L144 PolarHBondContact O-N 2.68Å |
| 141 | S | 82.6 | Confident | 76.7 | Confident | 49 Ų | 49 | 105.5 Ų | 105.5 | 34% | 0.343 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.5 | -39.7 | 176.5 | 63.6 | 0 | 0 | 0 | 0 | 111.9 | H137 P138 L144 L145 | H137-S141 PolarHBondContact O-N 2.9Å; P138-S141 PolarHBondContact O-OG 3.35Å; S141-L144 PolarHBondContact O-N 2.86Å; S141-L145 WeakPolarHBondContact O-CB 3.27Å; S141-L145 PolarHBondContact O-N 3.39Å |
| 142 | K | 86.7 | Confident | 77.7 | Confident | 127 Ų | 127 | 99.8 Ų | 99.8 | 55% | 0.552 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.1 | -43.9 | 173.6 | -70.4 | 169 | -164.2 | 161.8 | 0 | 112.7 | P138 D139 L140 L145 Q146 | P138-K142 WeakPolarHBondContact O-CD 3.29Å; P138-K142 WeakPolarHBondContact O-CE 3.28Å; P138-K142 VanDerWaalsContact O-CG 3.25Å; P138-K142 WeakPolarHBondContact O-CG 3.3Å; P138-K142 PolarHBondContact O-N 3.3Å; D139-K142 IonicContact OD1-NZ 2.76Å; D139-K142 PolarHBondContact OD1-NZ 3.02Å; L140-K142 VanDerWaalsContact C-N 3.34Å; L140-K142 PolarHBondContact O-N 3.11Å; K142-L145 PolarHBondContact O-N 2.95Å; K142-Q146 WeakPolarHBondContact O-CB 3.49Å; K142-Q146 PolarHBondContact O-N 3.49Å |
| 143 | Q | 91.5 | Very high | 78.7 | Confident | 90 Ų | 90 | 105.2 Ų | 105.2 | 42% | 0.421 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.4 | -44.7 | 177.8 | -178.6 | 61.6 | 49.1 | 0 | 0 | 111.3 | D139 L140 L145 Q146 D147 | D139-Q143 PolarHBondContact O-N 3.09Å; D139-Q143 VanDerWaalsContact O-N 3.11Å; L140-Q143 PolarHBondContact O-N 3.37Å; Q143-L145 VanDerWaalsContact C-N 3.34Å; Q143-L145 PolarHBondContact O-N 3.25Å; Q143-Q146 WeakPolarHBondContact O-CB 3.49Å; Q143-Q146 PolarHBondContact O-N 2.83Å; Q143-Q146 VanDerWaalsContact O-N 3.16Å; Q143-D147 VanDerWaalsContact NE2-CG 3.27Å; Q143-D147 PolarHBondContact NE2-OD1 3.38Å; Q143-D147 VanDerWaalsContact NE2-OD1 3.11Å; Q143-D147 PolarHBondContact NE2-OD2 3Å; Q143-D147 WeakPolarHBondContact O-CB 3.46Å; Q143-D147 PolarHBondContact O-N 2.93Å |
| 144 | L | 89.6 | Confident | 79.7 | Confident | 57 Ų | 57 | 104.3 Ų | 104.3 | 30% | 0.298 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 177.4 | -71.3 | 171.1 | 0 | 0 | 0 | 111.4 | L140 S141 Q146 D147 G148 Y149 L151 | L140-L144 WeakPolarHBondContact O-CB 3.2Å; L140-L144 VanDerWaalsContact O-CG 3.27Å; L140-L144 WeakPolarHBondContact O-CG 3.42Å; L140-L144 PolarHBondContact O-N 2.68Å; S141-L144 PolarHBondContact O-N 2.86Å; L144-Q146 VanDerWaalsContact C-N 3.31Å; L144-Q146 PolarHBondContact O-N 3.5Å; L144-D147 CarbonylContact O-C 3.25Å; L144-D147 PolarHBondContact O-N 3.29Å; L144-G148 PolarHBondContact O-N 3.43Å; L144-G148 VanDerWaalsContact O-N 3.1Å; L144-Y149 CarbonylContact C-O 3.4Å; L144-Y149 VanDerWaalsContact C-O 3.25Å; L144-Y149 WeakPolarHBondContact O-CA 3.47Å; L144-Y149 PolarHBondContact O-N 2.86Å; L144-L151 HydrophobicContact CD1-CD1 4.1Å; L144-L151 HydrophobicContact CD1-CD2 4.26Å; L144-L151 HydrophobicContact CD1-CG 4.29Å |
| 145 | L | 85.7 | Confident | 80.4 | Confident | 104 Ų | 104 | 104 Ų | 104 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.9 | -41 | 175 | -175.8 | 61.4 | 0 | 0 | 0 | 111.9 | S141 K142 Q143 D147 G148 H150 | S141-L145 WeakPolarHBondContact O-CB 3.27Å; S141-L145 PolarHBondContact O-N 3.39Å; K142-L145 PolarHBondContact O-N 2.95Å; Q143-L145 VanDerWaalsContact C-N 3.34Å; Q143-L145 PolarHBondContact O-N 3.25Å; L145-D147 VanDerWaalsContact C-N 3.32Å; L145-D147 PolarHBondContact O-N 2.64Å; L145-G148 PolarHBondContact O-N 3.06Å; L145-G148 VanDerWaalsContact O-N 3.16Å; L145-H150 WeakPolarHBondContact CD1-CD2 3.42Å; L145-H150 WeakPolarHBondContact CD1-NE2 3.25Å |
| 146 | Q | 91.9 | Very high | 80.9 | Confident | 154 Ų | 154 | 104.5 Ų | 104.5 | 72% | 0.72 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.1 | -35.4 | 176.7 | -172.7 | 166.8 | 42.9 | 0 | 0 | 112.6 | K142 Q143 L144 G148 | K142-Q146 WeakPolarHBondContact O-CB 3.49Å; K142-Q146 PolarHBondContact O-N 3.49Å; Q143-Q146 WeakPolarHBondContact O-CB 3.49Å; Q143-Q146 PolarHBondContact O-N 2.83Å; Q143-Q146 VanDerWaalsContact O-N 3.16Å; L144-Q146 VanDerWaalsContact C-N 3.31Å; L144-Q146 PolarHBondContact O-N 3.5Å; Q146-G148 PolarHBondContact O-N 3.33Å |
| 147 | D | 91.7 | Very high | 81.1 | Confident | 93 Ų | 93 | 106.2 Ų | 106.2 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 0.5 | 176.5 | -66.9 | -24 | 0 | 0 | 0 | 112.9 | Q143 L144 L145 Y149 | Q143-D147 VanDerWaalsContact NE2-CG 3.27Å; Q143-D147 PolarHBondContact NE2-OD1 3.38Å; Q143-D147 VanDerWaalsContact NE2-OD1 3.11Å; Q143-D147 PolarHBondContact NE2-OD2 3Å; Q143-D147 WeakPolarHBondContact O-CB 3.46Å; Q143-D147 PolarHBondContact O-N 2.93Å; L144-D147 CarbonylContact O-C 3.25Å; L144-D147 PolarHBondContact O-N 3.29Å; L145-D147 VanDerWaalsContact C-N 3.32Å; L145-D147 PolarHBondContact O-N 2.64Å; D147-Y149 HydrophobicContact CB-CD2 3.79Å; D147-Y149 HydrophobicContact CB-CE2 4.16Å |
| 148 | G | 90.8 | Very high | 80.7 | Confident | 48 Ų | 48 | 109 Ų | 109 | 50% | 0.495 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 82.2 | 10.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L144 L145 Q146 | L144-G148 PolarHBondContact O-N 3.43Å; L144-G148 VanDerWaalsContact O-N 3.1Å; L145-G148 PolarHBondContact O-N 3.06Å; L145-G148 VanDerWaalsContact O-N 3.16Å; Q146-G148 PolarHBondContact O-N 3.33Å |
| 149 | Y | 87.2 | Confident | 80.5 | Confident | 162 Ų | 162 | 112.7 Ų | 112.7 | 64% | 0.635 | 58% | 0.578 | S | S | * | * | trans | -90.3 | 100.3 | 172.3 | -65.2 | -82.2 | 0 | 0 | 0 | 109.8 | L144 D147 | L144-Y149 CarbonylContact C-O 3.4Å; L144-Y149 VanDerWaalsContact C-O 3.25Å; L144-Y149 WeakPolarHBondContact O-CA 3.47Å; L144-Y149 PolarHBondContact O-N 2.86Å; D147-Y149 HydrophobicContact CB-CD2 3.79Å; D147-Y149 HydrophobicContact CB-CE2 4.16Å | ||
| 150 | H | 83.9 | Confident | 80.3 | Confident | 147 Ų | 147 | 113.3 Ų | 113.3 | 68% | 0.681 | 58% | 0.58 | S | S | * | * | trans | -84.8 | 120 | 168.3 | -53.1 | 100.9 | 0 | 0 | 0 | 108.1 | L145 D152 | L145-H150 WeakPolarHBondContact CD1-CD2 3.42Å; L145-H150 WeakPolarHBondContact CD1-NE2 3.25Å; H150-D152 PolarHBondContact O-N 3.18Å | ||
| 151 | L | 80.3 | Confident | 79.9 | Confident | 90 Ų | 90 | 114.7 Ų | 114.7 | 47% | 0.471 | 59% | 0.589 | S | S | . | * | trans | -71.9 | 123.9 | 168.7 | -59.6 | -179.3 | 0 | 0 | 0 | 107 | V136 L144 E153 | V136-L151 HydrophobicContact CG2-CD1 4.03Å; L144-L151 HydrophobicContact CD1-CD1 4.1Å; L144-L151 HydrophobicContact CD1-CD2 4.26Å; L144-L151 HydrophobicContact CD1-CG 4.29Å; L151-E153 PolarHBondContact O-N 2.96Å; L151-E153 VanDerWaalsContact O-N 3.13Å | ||
| 152 | D | 74.1 | Confident | 79.8 | Confident | 123 Ų | 123 | 119.2 Ų | 119.2 | 66% | 0.658 | 61% | 0.608 | S | S | * | * | trans | -73.5 | 104.4 | 171.4 | -160.3 | -10.3 | 0 | 0 | 0 | 107.2 | H150 I154 | H150-D152 PolarHBondContact O-N 3.18Å; D152-I154 VanDerWaalsContact OD1-CB 3.28Å; D152-I154 WeakPolarHBondContact OD1-CB 3.19Å; D152-I154 VanDerWaalsContact OD1-CG1 3.29Å; D152-I154 WeakPolarHBondContact OD1-CG1 3.4Å; D152-I154 PolarHBondContact OD1-N 2.69Å; D152-I154 VanDerWaalsContact OD1-N 3.15Å | ||
| 153 | E | 68.9 | Low | 79.2 | Confident | 177 Ų | 177 | 119.6 Ų | 119.6 | 83% | 0.827 | 62% | 0.615 | S | S | * | * | trans | -82.9 | -4.9 | 178.2 | -67 | 174.7 | -150.6 | 0 | 0 | 111.3 | L151 P155 | L151-E153 PolarHBondContact O-N 2.96Å; L151-E153 VanDerWaalsContact O-N 3.13Å; E153-P155 WeakPolarHBondContact O-CD 3.08Å | ||
| 154 | I | 73.4 | Confident | 78.8 | Confident | 115 Ų | 115 | 120.2 Ų | 120.2 | 59% | 0.59 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -71.3 | 115.1 | 174.3 | -55.8 | 172.7 | 0 | 0 | 0 | 106.7 | D152 D156 | D152-I154 VanDerWaalsContact OD1-CB 3.28Å; D152-I154 WeakPolarHBondContact OD1-CB 3.19Å; D152-I154 VanDerWaalsContact OD1-CG1 3.29Å; D152-I154 WeakPolarHBondContact OD1-CG1 3.4Å; D152-I154 PolarHBondContact OD1-N 2.69Å; D152-I154 VanDerWaalsContact OD1-N 3.15Å; I154-D156 PolarHBondContact O-N 3.02Å |
| 155 | P | 69.6 | Low | 78.3 | Confident | 73 Ų | 73 | 123.6 Ų | 123.6 | 47% | 0.474 | 65% | 0.652 | S | S | . | * | trans | -64.7 | 133.9 | 175.8 | 27.6 | -31.8 | 0 | 0 | 0 | 109.2 | E153 D157 | E153-P155 WeakPolarHBondContact O-CD 3.08Å; P155-D157 WeakPolarHBondContact CB-OD1 3.1Å; P155-D157 WeakPolarHBondContact CG-OD1 3.18Å; P155-D157 PolarHBondContact O-N 3.19Å | ||
| 156 | D | 67.9 | Low | 77.8 | Confident | 146 Ų | 146 | 127.7 Ų | 127.7 | 78% | 0.781 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | 10.4 | 176.2 | -70.9 | -34.6 | 0 | 0 | 0 | 112.7 | I154 | I154-D156 PolarHBondContact O-N 3.02Š|
| 157 | D | 67.6 | Low | 77.1 | Confident | 95 Ų | 95 | 124.9 Ų | 124.9 | 51% | 0.508 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.3 | -16.2 | -176.2 | 64.8 | -11.9 | 0 | 0 | 0 | 113.5 | P155 | P155-D157 WeakPolarHBondContact CB-OD1 3.1Å; P155-D157 WeakPolarHBondContact CG-OD1 3.18Å; P155-D157 PolarHBondContact O-N 3.19Å |
| 158 | E | 65.2 | Low | 75.9 | Confident | 167 Ų | 167 | 130 Ų | 130 | 78% | 0.78 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -22.7 | 178.3 | -74.4 | -95.3 | 108.6 | 0 | 0 | 113.7 | ||
| 159 | D | 73.4 | Confident | 74.7 | Confident | 154 Ų | 154 | 130.5 Ų | 130.5 | 82% | 0.824 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 0.8 | 176.7 | -77.9 | -16.4 | 0 | 0 | 0 | 113 | D161 | D159-D161 PolarHBondContact O-N 3.11Å; D159-D161 VanDerWaalsContact O-N 3.09Å |
| 160 | L | 79.4 | Confident | 73.3 | Confident | 103 Ų | 103 | 127.3 Ų | 127.3 | 54% | 0.539 | 70% | 0.699 | S | S | . | * | trans | -76.6 | 97.5 | 168.9 | -58.8 | -179.3 | 0 | 0 | 0 | 107.1 | L162 | L160-L162 HydrophobicContact CB-CD2 3.91Å; L160-L162 PolarHBondContact O-N 3.31Å | ||
| 161 | D | 77.5 | Confident | 72.1 | Confident | 135 Ų | 135 | 126 Ų | 126 | 72% | 0.722 | 71% | 0.705 | S | S | * | * | trans | -60.9 | 82.2 | 164 | 64.1 | -32.7 | 0 | 0 | 0 | 108.2 | D159 I163 | D159-D161 PolarHBondContact O-N 3.11Å; D159-D161 VanDerWaalsContact O-N 3.09Å; D161-I163 VanDerWaalsContact C-N 3.28Å; D161-I163 PolarHBondContact O-N 2.84Å | ||
| 162 | L | 78.9 | Confident | 70.8 | Confident | 144 Ų | 144 | 129.3 Ų | 129.3 | 75% | 0.754 | 72% | 0.721 | S | S | * | * | trans | -56.8 | 94.8 | -173.7 | -64.6 | -178 | 0 | 0 | 0 | 108.4 | L160 P164 | L160-L162 HydrophobicContact CB-CD2 3.91Å; L160-L162 PolarHBondContact O-N 3.31Å; L162-P164 WeakPolarHBondContact O-CD 3.3Å | ||
| 163 | I | 74.6 | Confident | 70.1 | Confident | 134 Ų | 134 | 128.8 Ų | 128.8 | 69% | 0.687 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 117.7 | 177.1 | -62.5 | 175 | 0 | 0 | 0 | 104.5 | D161 | D161-I163 VanDerWaalsContact C-N 3.28Å; D161-I163 PolarHBondContact O-N 2.84Å |
| 164 | P | 83.9 | Confident | 69 | Low | 104 Ų | 104 | 126 Ų | 126 | 68% | 0.675 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 134.7 | 179 | -27.2 | 35.4 | 0 | 0 | 0 | 108.9 | L162 K166 | L162-P164 WeakPolarHBondContact O-CD 3.3Å; P164-K166 PolarHBondContact O-N 2.88Å |
| 165 | P | 77.8 | Confident | 68.2 | Low | 127 Ų | 127 | 125.7 Ų | 125.7 | 83% | 0.825 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 124.6 | -177.9 | 20.9 | -32 | 0 | 0 | 0 | 108.2 | A167 | P165-A167 PolarHBondContact O-N 3.43Å; P165-A167 VanDerWaalsContact O-N 3.11Å |
| 166 | K | 76.1 | Confident | 67.1 | Low | 190 Ų | 190 | 131.2 Ų | 131.2 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -54 | 125.5 | 178.8 | -86.6 | 173.4 | 161 | 157.1 | 0 | 107.9 | P164 M168 | P164-K166 PolarHBondContact O-N 2.88Å; K166-M168 PolarHBondContact O-N 3.37Å |
| 167 | A | 77.9 | Confident | 66.1 | Low | 96 Ų | 96 | 132.7 Ų | 132.7 | 79% | 0.793 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -50 | 128.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | P165 G169 | P165-A167 PolarHBondContact O-N 3.43Å; P165-A167 VanDerWaalsContact O-N 3.11Å; A167-G169 PolarHBondContact O-N 3.21Å |
| 168 | M | 64.7 | Low | 65 | Low | 200 Ų | 200 | 134 Ų | 134 | 99% | 0.985 | 77% | 0.765 | S | S | * | * | trans | -70.7 | 65.9 | 179.4 | -60 | 173.8 | 78.9 | 0 | 0 | 109.2 | K166 | K166-M168 PolarHBondContact O-N 3.37Š| ||
| 169 | G | 66.3 | Low | 64.7 | Low | 58 Ų | 58 | 131.4 Ų | 131.4 | 60% | 0.598 | 76% | 0.763 | S | S | * | * | trans | -89 | 123.8 | 161 | 0 | 0 | 0 | 0 | 0 | 107.1 | A167 | A167-G169 PolarHBondContact O-N 3.21Š| ||
| 170 | S | 57 | Low | 63.8 | Low | 96 Ų | 96 | 129.5 Ų | 129.5 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | trans | -2.7 | 116.8 | 174.4 | 59.3 | 0 | 0 | 0 | 0 | 116.9 | M172 | S170-M172 PolarHBondContact O-N 3.25Š| ||
| 171 | S | 60.7 | Low | 62 | Low | 118 Ų | 118 | 130.6 Ų | 130.6 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -28.1 | 105.7 | 157.3 | 169.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 172 | M | 51.4 | Low | 60.9 | Low | 161 Ų | 161 | 129.8 Ų | 129.8 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | trans | -117.2 | 98 | 161.6 | -75.9 | -77.5 | -179 | 0 | 0 | 106.7 | S170 C174 | S170-M172 PolarHBondContact O-N 3.25Å; M172-C174 PolarHBondContact O-N 2.82Å | ||
| 173 | C | 59.8 | Low | 59.6 | Low | 112 Ų | 112 | 131.9 Ų | 131.9 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | trans | -54.5 | 117.9 | 164 | 173.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 174 | C | 45.6 | Very low | 58 | Low | 117 Ų | 117 | 137.9 Ų | 137.9 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | -141.4 | 69.4 | 171 | -68.7 | 0 | 0 | 0 | 0 | 110.1 | M172 | M172-C174 PolarHBondContact O-N 2.82Š| ||
| 175 | C | 57.5 | Low | 56.7 | Low | 110 Ų | 110 | 139.6 Ų | 139.6 | 74% | 0.743 | 82% | 0.819 | S | S | * | * | trans | -83.6 | 128.5 | 154.7 | -66.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 176 | F | 45.7 | Very low | 55.6 | Low | 188 Ų | 188 | 140.2 Ų | 140.2 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | S | Bend | trans | 81.1 | 101.8 | 166.5 | -73 | -89.4 | 0 | 0 | 0 | 119.4 | ||
| 177 | E | 46.5 | Very low | 54.4 | Low | 177 Ų | 177 | 137.4 Ų | 137.4 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | 62.9 | 101.8 | 128.3 | -149.4 | 155.2 | -156.5 | 0 | 0 | 118.7 | |||||
| 178 | C | 45.4 | Very low | 53 | Low | 123 Ų | 123 | 139.9 Ų | 139.9 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | trans | -144.9 | 118.4 | 150.8 | -163.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 179 | P | 58.6 | Low | 52.3 | Low | 112 Ų | 112 | 136.1 Ų | 136.1 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -84.6 | 150 | 172.5 | 34 | -29.4 | 0 | 0 | 0 | 110.1 | ||||
| 180 | S | 54.2 | Low | 51.4 | Low | 114 Ų | 114 | 141.3 Ų | 141.3 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | trans | 95.9 | 104.4 | 165.3 | -155.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 181 | C | 41.6 | Very low | 51 | Low | 127 Ų | 127 | 144.6 Ų | 144.6 | 86% | 0.858 | 83% | 0.834 | S | S | * | * | trans | -121.5 | 117 | 155.7 | -54.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 182 | P | 54.9 | Low | 50.2 | Low | 117 Ų | 117 | 146.6 Ų | 146.6 | 76% | 0.76 | 84% | 0.835 | S | S | * | * | trans | -82.2 | 130.1 | 155.1 | 30.6 | -26.7 | 0 | 0 | 0 | 108.9 | ||||
| 183 | M | 51.4 | Low | 50.1 | Low | 189 Ų | 189 | 145.4 Ų | 145.4 | 93% | 0.931 | 84% | 0.838 | S | S | * | * | trans | -65.5 | 139.5 | 169.3 | -73.1 | -147.1 | 85.2 | 0 | 0 | 110.8 | ||||
| 184 | Q | 40.3 | Very low | 49.3 | Very low | 259 Ų | 259 | 148.5 Ų | 148.5 | 100% | 1.21 | 85% | 0.845 | S | S | * | * | trans | -141.4 | 0 | 148.9 | -167.2 | 174.7 | -32.1 | 0 | 0 | 109.3 |
Retrieved 184 of 184 residues in 183.3 ms
(Link to these results)