| 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 | 40.9 | Very low | 46.4 | Very low | 240 Ų | 240 | 134.5 Ų | 134.5 | 100% | 1.182 | 83% | 0.829 | S | S | * | * | 0 | 117.7 | 0 | -68.1 | 166.2 | 72.9 | 0 | 0 | 107.2 | |||||
| 2 | S | 45.4 | Very low | 46.3 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 85% | 0.846 | 83% | 0.828 | S | S | * | * | trans | -70.7 | 139.3 | 165.5 | -72 | 0 | 0 | 0 | 0 | 109 | ||||
| 3 | T | 65.4 | Low | 45.7 | Very low | 144 Ų | 144 | 138.4 Ų | 138.4 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | trans | -131.3 | 113.8 | 143.7 | 52.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 4 | G | 44.1 | Very low | 45.4 | Very low | 68 Ų | 68 | 136.6 Ų | 136.6 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | trans | -95.7 | 152.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 5 | S | 47.9 | Very low | 44.9 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | -168.7 | 114.3 | 155.1 | -84.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 6 | V | 45.7 | Very low | 44.5 | Very low | 131 Ų | 131 | 143.6 Ų | 143.6 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | 99.9 | 113.9 | 79.3 | 163.9 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 7 | S | 45.9 | Very low | 44 | Very low | 110 Ų | 110 | 145.1 Ų | 145.1 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | 24.7 | 137.7 | 148 | -46.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 8 | D | 43.4 | Very low | 43.5 | Very low | 149 Ų | 149 | 149.8 Ų | 149.8 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | -145 | 136.3 | 127.7 | -160.1 | 51.1 | 0 | 0 | 0 | 109.4 | |||||
| 9 | G | 45 | Very low | 43.6 | Very low | 63 Ų | 63 | 148.6 Ų | 148.6 | 65% | 0.649 | 81% | 0.812 | S | S | * | * | trans | -122.1 | 135.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 10 | E | 44.8 | Very low | 43.5 | Very low | 182 Ų | 182 | 148.6 Ų | 148.6 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | trans | -127.1 | 118.3 | 170 | -63.2 | -161.4 | 138.8 | 0 | 0 | 109.7 | ||||
| 11 | D | 42.2 | Very low | 43.6 | Very low | 156 Ų | 156 | 145.6 Ų | 145.6 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | trans | -68.2 | 135.7 | 172.1 | -61.2 | -68.6 | 0 | 0 | 0 | 111.3 | ||||
| 12 | I | 44.9 | Very low | 43.7 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | trans | -127.8 | 85.3 | 152.2 | 66.6 | 149.1 | 0 | 0 | 0 | 110.9 | T14 | I12-T14 PolarHBondContact O-N 3.45Š| ||
| 13 | E | 38.3 | Very low | 43.2 | Very low | 160 Ų | 160 | 143.2 Ų | 143.2 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -65 | 110.6 | 164.5 | -173.6 | 178.3 | 174.3 | 0 | 0 | 109.2 | ||||
| 14 | T | 41.1 | Very low | 42 | Very low | 113 Ų | 113 | 144.3 Ų | 144.3 | 69% | 0.693 | 78% | 0.782 | S | S | * | * | trans | -110.4 | 88.9 | 160.8 | -35 | 0 | 0 | 0 | 0 | 108.8 | I12 H16 | I12-T14 PolarHBondContact O-N 3.45Å; T14-H16 PolarHBondContact O-N 2.84Å | ||
| 15 | R | 38.2 | Very low | 42 | Very low | 205 Ų | 205 | 145.4 Ų | 145.4 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | trans | -60.4 | 113.4 | 171.1 | -174.7 | 178.2 | -177.6 | 150.7 | -4.4 | 109.8 | ||||
| 16 | H | 38.7 | Very low | 41.5 | Very low | 180 Ų | 180 | 148.6 Ų | 148.6 | 83% | 0.833 | 77% | 0.774 | S | S | * | * | trans | -116 | 132 | 159.4 | -90.1 | 138.7 | 0 | 0 | 0 | 109.9 | T14 | T14-H16 PolarHBondContact O-N 2.84Š| ||
| 17 | E | 35.2 | Very low | 41.7 | Very low | 170 Ų | 170 | 151.4 Ų | 151.4 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -62.9 | 145.5 | -160.9 | -66 | -171.3 | 110.4 | 0 | 0 | 114.8 | T19 | E17-T19 PolarHBondContact O-N 3.26Š| ||
| 18 | R | 36.4 | Very low | 41.8 | Very low | 229 Ų | 229 | 150.2 Ų | 150.2 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | -54.7 | 116.8 | 159.9 | -98.7 | 179.4 | -101.1 | 157.7 | -6.6 | 109.2 | ||||
| 19 | T | 45 | Very low | 42.1 | Very low | 127 Ų | 127 | 152 Ų | 152 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | trans | -107 | 108.5 | 155.3 | 52.3 | 0 | 0 | 0 | 0 | 107.4 | E17 A21 | E17-T19 PolarHBondContact O-N 3.26Å; T19-A21 PolarHBondContact O-N 3.19Å; T19-A21 VanDerWaalsContact O-N 3.1Å | ||
| 20 | D | 40.5 | Very low | 42.1 | Very low | 149 Ų | 149 | 158.7 Ų | 158.7 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -74.1 | 90.9 | 173.3 | -72.5 | -56.2 | 0 | 0 | 0 | 108.9 | ||||
| 21 | A | 46.7 | Very low | 42 | Very low | 85 Ų | 85 | 157 Ų | 157 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | trans | -93.5 | 124 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | T19 F23 | T19-A21 PolarHBondContact O-N 3.19Å; T19-A21 VanDerWaalsContact O-N 3.1Å; A21-F23 PolarHBondContact O-N 3.03Å | ||
| 22 | P | 42 | Very low | 42.2 | Very low | 128 Ų | 128 | 155.3 Ų | 155.3 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | trans | -62.7 | 120.7 | 176 | -19 | 30.9 | 0 | 0 | 0 | 110.5 | E24 | P22-E24 PolarHBondContact O-N 2.91Š| ||
| 23 | F | 36.1 | Very low | 42.3 | Very low | 184 Ų | 184 | 153.4 Ų | 153.4 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | trans | -68.4 | 97.6 | 171.5 | -179 | -101.2 | 0 | 0 | 0 | 109.1 | A21 S25 | A21-F23 PolarHBondContact O-N 3.03Å; F23-S25 PolarHBondContact O-N 3.44Å | ||
| 24 | E | 39.2 | Very low | 42.5 | Very low | 167 Ų | 167 | 151.4 Ų | 151.4 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | trans | -63.3 | 103.5 | 173.2 | -134 | 175.5 | -173.2 | 0 | 0 | 108.9 | P22 Y26 | P22-E24 PolarHBondContact O-N 2.91Å; E24-Y26 WeakPolarHBondContact O-CD1 3.28Å; E24-Y26 PolarHBondContact O-N 3.3Å | ||
| 25 | S | 44.4 | Very low | 42.4 | Very low | 91 Ų | 91 | 156.9 Ų | 156.9 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | trans | -73.2 | 78.2 | 178.3 | -166.3 | 0 | 0 | 0 | 0 | 110 | F23 K27 | F23-S25 PolarHBondContact O-N 3.44Å; S25-K27 PolarHBondContact O-N 3.14Å | ||
| 26 | Y | 38.8 | Very low | 42.4 | Very low | 182 Ų | 182 | 157.6 Ų | 157.6 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | trans | -75.7 | 108.7 | 163.8 | 61.4 | -95.2 | 0 | 0 | 0 | 108.2 | E24 T28 | E24-Y26 WeakPolarHBondContact O-CD1 3.28Å; E24-Y26 PolarHBondContact O-N 3.3Å; Y26-T28 WeakPolarHBondContact CD2-OG1 3.26Å; Y26-T28 WeakPolarHBondContact CE2-OG1 3.36Å; Y26-T28 PolarHBondContact O-N 2.94Å | ||
| 27 | K | 49.5 | Very low | 42.2 | Very low | 190 Ų | 190 | 158.9 Ų | 158.9 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -68.1 | 82.1 | 166.9 | -76.7 | 179.1 | 179.6 | 173.3 | 0 | 109 | S25 K29 | S25-K27 PolarHBondContact O-N 3.14Å; K27-K29 PolarHBondContact O-N 3Å; K27-K29 VanDerWaalsContact O-N 3.07Å | ||
| 28 | T | 47.2 | Very low | 42.7 | Very low | 86 Ų | 86 | 155.6 Ų | 155.6 | 53% | 0.528 | 76% | 0.761 | S | S | . | * | trans | -73.4 | 102.7 | 164.9 | -53.5 | 0 | 0 | 0 | 0 | 108.2 | Y26 R30 | Y26-T28 WeakPolarHBondContact CD2-OG1 3.26Å; Y26-T28 WeakPolarHBondContact CE2-OG1 3.36Å; Y26-T28 PolarHBondContact O-N 2.94Å; T28-R30 HydrophobicContact CG2-CG 3.71Å; T28-R30 PolarHBondContact O-N 2.89Å | ||
| 29 | K | 49.9 | Very low | 43.3 | Very low | 186 Ų | 186 | 149.5 Ų | 149.5 | 81% | 0.809 | 75% | 0.753 | S | S | * | * | trans | -64.9 | 83.9 | 162.9 | -66.8 | -168.9 | -178.6 | 179.9 | 0 | 108.6 | K27 N31 | K27-K29 PolarHBondContact O-N 3Å; K27-K29 VanDerWaalsContact O-N 3.07Å; K29-N31 PolarHBondContact O-N 2.78Å; K29-N31 VanDerWaalsContact O-N 3.09Å | ||
| 30 | R | 44.3 | Very low | 43.6 | Very low | 204 Ų | 204 | 148.9 Ų | 148.9 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -72.6 | 99.5 | 167.3 | -71.6 | -170.4 | -76.5 | 170 | -5.1 | 107.7 | T28 V32 | T28-R30 HydrophobicContact CG2-CG 3.71Å; T28-R30 PolarHBondContact O-N 2.89Å; R30-V32 HydrophobicContact CB-CG2 4.22Å; R30-V32 PolarHBondContact O-N 3.04Å | ||
| 31 | N | 42.7 | Very low | 43.3 | Very low | 146 Ų | 146 | 151.1 Ų | 151.1 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | trans | -68.9 | 85 | 163.5 | -67.2 | -24.1 | 0 | 0 | 0 | 107.7 | K29 T33 | K29-N31 PolarHBondContact O-N 2.78Å; K29-N31 VanDerWaalsContact O-N 3.09Å; N31-T33 PolarHBondContact O-N 3.29Å; N31-T33 VanDerWaalsContact O-N 3.07Å | ||
| 32 | V | 47.1 | Very low | 42.7 | Very low | 121 Ų | 121 | 157 Ų | 157 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | -76.9 | 93.2 | 170 | -177.1 | 0 | 0 | 0 | 0 | 107 | R30 | R30-V32 HydrophobicContact CB-CG2 4.22Å; R30-V32 PolarHBondContact O-N 3.04Å | ||
| 33 | T | 46.9 | Very low | 42.9 | Very low | 118 Ų | 118 | 156.4 Ų | 156.4 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | trans | -58.1 | 126.5 | 163.3 | 36.1 | 0 | 0 | 0 | 0 | 108.3 | N31 R35 | N31-T33 PolarHBondContact O-N 3.29Å; N31-T33 VanDerWaalsContact O-N 3.07Å; T33-R35 PolarHBondContact O-N 3.26Å | ||
| 34 | P | 43.5 | Very low | 42.9 | Very low | 119 Ų | 119 | 153.6 Ų | 153.6 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | -64.5 | 116.7 | 175.9 | 24.6 | -28.1 | 0 | 0 | 0 | 107.8 | R36 | P34-R36 PolarHBondContact O-N 2.95Š| ||
| 35 | R | 37.2 | Very low | 42.9 | Very low | 227 Ų | 227 | 153 Ų | 153 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | trans | -55.8 | 110.9 | 177 | -168.4 | 172.8 | -178.8 | -104.3 | 1.5 | 107.8 | T33 Y37 | T33-R35 PolarHBondContact O-N 3.26Å; R35-Y37 PolarHBondContact O-N 3.41Å; R35-Y37 VanDerWaalsContact O-N 3.16Å | ||
| 36 | R | 40 | Very low | 42.8 | Very low | 221 Ų | 221 | 153.4 Ų | 153.4 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | -55.2 | 120.3 | 166.5 | -87.8 | -171.2 | -175.1 | 178.8 | 3.1 | 106.9 | P34 T38 | P34-R36 PolarHBondContact O-N 2.95Å; R36-T38 VanDerWaalsContact C-N 3.29Å; R36-T38 HydrophobicContact CB-CG2 4.36Å; R36-T38 PolarHBondContact O-N 3.29Å | ||
| 37 | Y | 34.4 | Very low | 42.3 | Very low | 206 Ų | 206 | 154.5 Ų | 154.5 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | trans | -72.8 | 91.9 | 165.5 | -165 | -92.1 | 0 | 0 | 0 | 107.2 | R35 S39 | R35-Y37 PolarHBondContact O-N 3.41Å; R35-Y37 VanDerWaalsContact O-N 3.16Å; Y37-S39 PolarHBondContact O-N 3.47Å | ||
| 38 | T | 45.4 | Very low | 41.9 | Very low | 102 Ų | 102 | 151.3 Ų | 151.3 | 63% | 0.626 | 77% | 0.769 | S | S | * | * | trans | -79.5 | 107.1 | 167.4 | 52.6 | 0 | 0 | 0 | 0 | 106.9 | R36 T40 | R36-T38 VanDerWaalsContact C-N 3.29Å; R36-T38 HydrophobicContact CB-CG2 4.36Å; R36-T38 PolarHBondContact O-N 3.29Å; T38-T40 VanDerWaalsContact C-N 3.32Å; T38-T40 PolarHBondContact O-N 2.98Å | ||
| 39 | S | 49.4 | Very low | 41.4 | Very low | 101 Ų | 101 | 150.2 Ų | 150.2 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -72.4 | 85.4 | 174.3 | 177.1 | 0 | 0 | 0 | 0 | 109.3 | Y37 | Y37-S39 PolarHBondContact O-N 3.47Š| ||
| 40 | T | 49.8 | Very low | 41.1 | Very low | 114 Ų | 114 | 147.9 Ų | 147.9 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | -151.2 | 77.9 | 169 | 52 | 0 | 0 | 0 | 0 | 109.7 | T38 | T38-T40 VanDerWaalsContact C-N 3.32Å; T38-T40 PolarHBondContact O-N 2.98Å | ||
| 41 | E | 35.3 | Very low | 41 | Very low | 196 Ų | 196 | 146.5 Ų | 146.5 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | trans | -147.3 | 83.6 | 150.7 | -69.7 | -160.2 | 148.4 | 0 | 0 | 108.4 | ||||
| 42 | Y | 34.7 | Very low | 40.7 | Very low | 209 Ų | 209 | 143 Ų | 143 | 82% | 0.82 | 78% | 0.782 | S | S | * | * | trans | -134.9 | 90.3 | 150.1 | -163.3 | -87.4 | 0 | 0 | 0 | 104 | D44 | Y42-D44 VanDerWaalsContact CE1-OD2 3.32Å; Y42-D44 WeakPolarHBondContact CE1-OD2 3.5Å | ||
| 43 | S | 44.9 | Very low | 40.6 | Very low | 115 Ų | 115 | 141 Ų | 141 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -73.9 | 125.3 | 172.2 | -70.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 44 | D | 36.8 | Very low | 40.1 | Very low | 125 Ų | 125 | 143.8 Ų | 143.8 | 67% | 0.668 | 79% | 0.791 | S | S | * | * | trans | -135.7 | 138.6 | 155.8 | -115 | -65.3 | 0 | 0 | 0 | 106.7 | Y42 | Y42-D44 VanDerWaalsContact CE1-OD2 3.32Å; Y42-D44 WeakPolarHBondContact CE1-OD2 3.5Å | ||
| 45 | D | 38.1 | Very low | 39.9 | Very low | 155 Ų | 155 | 146.9 Ų | 146.9 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | -66.3 | 163.9 | -160.1 | -66.5 | -84.6 | 0 | 0 | 0 | 116.2 | ||||
| 46 | A | 42.4 | Very low | 40 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -55.7 | 141.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 47 | F | 27.9 | Very low | 40.1 | Very low | 205 Ų | 205 | 140.1 Ų | 140.1 | 90% | 0.899 | 78% | 0.782 | S | S | * | * | trans | -145.8 | 136.7 | 143.9 | -171.8 | -106.1 | 0 | 0 | 0 | 111.8 | ||||
| 48 | V | 41.9 | Very low | 40.3 | Very low | 123 Ų | 123 | 136 Ų | 136 | 75% | 0.745 | 78% | 0.778 | S | S | * | * | trans | -88.1 | 138.4 | -170.1 | 174.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 49 | G | 35.8 | Very low | 39.9 | Very low | 63 Ų | 63 | 138.7 Ų | 138.7 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | trans | 177.7 | 84.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 50 | T | 43.6 | Very low | 39.5 | Very low | 137 Ų | 137 | 143.2 Ų | 143.2 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | 41.1 | 119.8 | 141.9 | 61.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 51 | D | 43.7 | Very low | 39 | Very low | 174 Ų | 174 | 142.9 Ų | 142.9 | 93% | 0.93 | 79% | 0.785 | S | S | * | * | trans | 49.5 | 120 | 139 | -105 | -30.9 | 0 | 0 | 0 | 121.1 | ||||
| 52 | G | 36.6 | Very low | 38.9 | Very low | 72 Ų | 72 | 142.5 Ų | 142.5 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | 167.2 | 68.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | H54 | G52-H54 PolarHBondContact O-N 3.45Š| ||
| 53 | G | 44.9 | Very low | 39.6 | Very low | 80 Ų | 80 | 137.6 Ų | 137.6 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -60.7 | 116.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 54 | H | 37 | Very low | 39.6 | Very low | 176 Ų | 176 | 138.5 Ų | 138.5 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | trans | -135.4 | 88.4 | 157.8 | -142.8 | -106.2 | 0 | 0 | 0 | 108.6 | G52 V56 | G52-H54 PolarHBondContact O-N 3.45Å; H54-V56 PolarHBondContact O-N 3.13Å | ||
| 55 | E | 38.6 | Very low | 40.1 | Very low | 185 Ų | 185 | 137.5 Ų | 137.5 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -66.5 | 94.3 | 176.3 | -170.8 | -175.8 | 165.5 | 0 | 0 | 109.3 | R57 | E55-R57 PolarHBondContact O-N 3.33Š| ||
| 56 | V | 39.5 | Very low | 40.5 | Very low | 113 Ų | 113 | 136.5 Ų | 136.5 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | trans | -72.2 | 98 | 167.3 | -180 | 0 | 0 | 0 | 0 | 107.4 | H54 T58 | H54-V56 PolarHBondContact O-N 3.13Å; V56-T58 VanDerWaalsContact C-N 3.26Å; V56-T58 PolarHBondContact O-N 3.45Å; V56-T58 PolarHBondContact O-OG1 3.13Å | ||
| 57 | R | 40.8 | Very low | 40.8 | Very low | 193 Ų | 193 | 135.7 Ų | 135.7 | 73% | 0.728 | 78% | 0.783 | S | S | * | * | trans | -48.4 | 84 | 172 | -174.7 | -178.7 | 178.6 | -168.1 | 4.7 | 111.3 | E55 K59 | E55-R57 PolarHBondContact O-N 3.33Å; R57-K59 HydrophobicContact CG-CG 4.47Å; R57-K59 PolarHBondContact O-N 3.03Å | ||
| 58 | T | 39.2 | Very low | 41.3 | Very low | 118 Ų | 118 | 129 Ų | 129 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | trans | -80 | 103.3 | 165.5 | 18.2 | 0 | 0 | 0 | 0 | 106.2 | V56 R60 | V56-T58 VanDerWaalsContact C-N 3.26Å; V56-T58 PolarHBondContact O-N 3.45Å; V56-T58 PolarHBondContact O-OG1 3.13Å; T58-R60 PolarHBondContact O-N 2.98Å | ||
| 59 | K | 37.3 | Very low | 41.8 | Very low | 160 Ų | 160 | 133.2 Ų | 133.2 | 70% | 0.696 | 78% | 0.78 | S | S | * | * | trans | -62.1 | 85 | 172.5 | -69.2 | -168.8 | 178.3 | -178.9 | 0 | 109.5 | R57 S61 | R57-K59 HydrophobicContact CG-CG 4.47Å; R57-K59 PolarHBondContact O-N 3.03Å; K59-S61 PolarHBondContact O-N 2.84Å | ||
| 60 | R | 39.9 | Very low | 42.5 | Very low | 196 Ų | 196 | 137.4 Ų | 137.4 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | trans | -78.3 | 90 | 161.1 | -93.2 | 179.9 | -178.2 | 161.9 | 3.5 | 107.5 | T58 Y62 | T58-R60 PolarHBondContact O-N 2.98Å; R60-Y62 HydrophobicContact CB-CD2 4.32Å; R60-Y62 HydrophobicContact CB-CE2 3.93Å; R60-Y62 PolarHBondContact O-N 3.38Å; R60-Y62 VanDerWaalsContact O-N 3.1Å | ||
| 61 | S | 39.9 | Very low | 43 | Very low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | -71.6 | 97.7 | 163.7 | -58.2 | 0 | 0 | 0 | 0 | 108.3 | K59 S63 | K59-S61 PolarHBondContact O-N 2.84Å; S61-S63 PolarHBondContact O-N 3.2Å | ||
| 62 | Y | 33.3 | Very low | 43.5 | Very low | 189 Ų | 189 | 137 Ų | 137 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | -70.2 | 90.3 | 157.2 | -67 | -89.9 | 0 | 0 | 0 | 106.4 | R60 T64 | R60-Y62 HydrophobicContact CB-CD2 4.32Å; R60-Y62 HydrophobicContact CB-CE2 3.93Å; R60-Y62 PolarHBondContact O-N 3.38Å; R60-Y62 VanDerWaalsContact O-N 3.1Å; Y62-T64 PolarHBondContact O-N 2.65Å | ||
| 63 | S | 49.4 | Very low | 44.3 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | -76.2 | 106.9 | 166.4 | 43.2 | 0 | 0 | 0 | 0 | 107.1 | S61 A65 | S61-S63 PolarHBondContact O-N 3.2Å; S63-A65 PolarHBondContact O-N 3.43Å | ||
| 64 | T | 45.6 | Very low | 44.4 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | trans | -55.2 | 118.4 | 163.7 | -27.2 | 0 | 0 | 0 | 0 | 106.9 | Y62 V66 | Y62-T64 PolarHBondContact O-N 2.65Å; T64-V66 PolarHBondContact O-N 3.24Å | ||
| 65 | A | 47.4 | Very low | 45 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | trans | -67.8 | 100.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | S63 | S63-A65 PolarHBondContact O-N 3.43Š| ||
| 66 | V | 46.7 | Very low | 45.8 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -119 | 110.3 | 157.6 | -177.8 | 0 | 0 | 0 | 0 | 107.4 | T64 | T64-V66 PolarHBondContact O-N 3.24Š| ||
| 67 | G | 48.3 | Very low | 46.7 | Very low | 82 Ų | 82 | 141.5 Ų | 141.5 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | trans | 35.9 | 88 | 157.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 68 | G | 38.3 | Very low | 47.7 | Very low | 65 Ų | 65 | 140.8 Ų | 140.8 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | trans | -143.8 | 85.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q70 | G68-Q70 PolarHBondContact O-N 3.34Š| ||
| 69 | K | 53.2 | Low | 49.1 | Very low | 210 Ų | 210 | 140.4 Ų | 140.4 | 91% | 0.913 | 75% | 0.752 | S | S | * | * | trans | -68.3 | 76.2 | 166.3 | 42 | -123.6 | 175.5 | -177.7 | 0 | 109.8 | ||||
| 70 | Q | 49.6 | Very low | 51 | Low | 151 Ų | 151 | 134.3 Ų | 134.3 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | trans | -92.6 | 103.2 | 169.8 | -80 | -79.5 | -3.2 | 0 | 0 | 108.4 | G68 F72 | G68-Q70 PolarHBondContact O-N 3.34Å; Q70-F72 HydrophobicContact CB-CE2 4.32Å; Q70-F72 WeakPolarHBondContact O-CD2 3.27Å; Q70-F72 PolarHBondContact O-N 3.33Å | ||
| 71 | L | 53.2 | Low | 53.1 | Low | 149 Ų | 149 | 132.4 Ų | 132.4 | 78% | 0.78 | 73% | 0.728 | S | S | * | * | trans | -60.7 | 92.7 | 174.3 | -70.8 | 158 | 0 | 0 | 0 | 109.9 | K73 | L71-K73 PolarHBondContact O-N 2.99Š| ||
| 72 | F | 54.2 | Low | 55.4 | Low | 153 Ų | 153 | 131.8 Ų | 131.8 | 67% | 0.671 | 71% | 0.713 | S | S | * | * | trans | -75.3 | 62.1 | 163.9 | -66.1 | -76.2 | 0 | 0 | 0 | 110.3 | Q70 R76 | Q70-F72 HydrophobicContact CB-CE2 4.32Å; Q70-F72 WeakPolarHBondContact O-CD2 3.27Å; Q70-F72 PolarHBondContact O-N 3.33Å; F72-R76 PolarHBondContact O-NE 2.78Å; F72-R76 PolarHBondContact O-NH2 3.22Å | ||
| 73 | K | 53.7 | Low | 57.9 | Low | 187 Ų | 187 | 129 Ų | 129 | 81% | 0.813 | 71% | 0.709 | S | S | * | * | trans | -109.3 | 99.7 | 174.7 | -123.8 | 177.2 | 176.8 | -178.9 | 0 | 106.9 | L71 | L71-K73 PolarHBondContact O-N 2.99Š| ||
| 74 | G | 47.1 | Very low | 59.9 | Low | 82 Ų | 82 | 130.7 Ų | 130.7 | 85% | 0.845 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 169 | -44.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 75 | G | 50.6 | Low | 62.3 | Low | 50 Ų | 50 | 130.9 Ų | 130.9 | 52% | 0.515 | 69% | 0.69 | S | S | . | * | S | Bend | trans | -107 | -16.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | R77 K78 | G75-R77 VanDerWaalsContact C-N 3.28Å; G75-R77 PolarHBondContact O-N 3Å; G75-K78 PolarHBondContact O-N 3.25Å |
| 76 | R | 55.1 | Low | 64.6 | Low | 176 Ų | 176 | 130.2 Ų | 130.2 | 66% | 0.664 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -69.8 | -4.8 | -158.1 | -64.1 | -168.3 | -83.5 | 174.1 | -3 | 117.5 | F72 | F72-R76 PolarHBondContact O-NE 2.78Å; F72-R76 PolarHBondContact O-NH2 3.22Å |
| 77 | R | 57.6 | Low | 66.9 | Low | 227 Ų | 227 | 128.2 Ų | 128.2 | 86% | 0.857 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -89.2 | -27.9 | -178 | -59.5 | -139.2 | -67.1 | -161.9 | 0.3 | 113.8 | G75 | G75-R77 VanDerWaalsContact C-N 3.28Å; G75-R77 PolarHBondContact O-N 3Å |
| 78 | K | 61.3 | Low | 69.2 | Low | 177 Ų | 177 | 127.1 Ų | 127.1 | 77% | 0.77 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -77.7 | -39.5 | 175.7 | -76.6 | -175 | 177.5 | 180 | 0 | 111.2 | G75 R81 Q82 | G75-K78 PolarHBondContact O-N 3.25Å; K78-R81 PolarHBondContact O-N 3.03Å; K78-Q82 PolarHBondContact O-N 3.26Å |
| 79 | D | 69.5 | Low | 72.1 | Confident | 110 Ų | 110 | 127.7 Ų | 127.7 | 59% | 0.588 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68.2 | -40.4 | -177.8 | -57.9 | -32.3 | 0 | 0 | 0 | 113.1 | R81 Q82 M83 | D79-R81 VanDerWaalsContact C-N 3.31Å; D79-R81 PolarHBondContact O-N 3.43Å; D79-Q82 PolarHBondContact O-N 3.48Å; D79-M83 WeakPolarHBondContact O-CB 3.48Å; D79-M83 PolarHBondContact O-N 3.48Å |
| 80 | G | 77.4 | Confident | 74.2 | Confident | 33 Ų | 33 | 120.1 Ų | 120.1 | 34% | 0.34 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.4 | -39.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | M83 Q84 | G80-M83 PolarHBondContact O-N 2.97Å; G80-Q84 VanDerWaalsContact O-CG 3.28Å; G80-Q84 WeakPolarHBondContact O-CG 3.31Å; G80-Q84 PolarHBondContact O-N 3.49Å |
| 81 | R | 83 | Confident | 76.5 | Confident | 156 Ų | 156 | 122.6 Ų | 122.6 | 59% | 0.589 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70.1 | -37.3 | 176.8 | -157 | -179.3 | -68.5 | -164 | -2.4 | 111.4 | K78 D79 R85 | K78-R81 PolarHBondContact O-N 3.03Å; D79-R81 VanDerWaalsContact C-N 3.31Å; D79-R81 PolarHBondContact O-N 3.43Å; R81-R85 WeakPolarHBondContact O-CG 3.24Å; R81-R85 PolarHBondContact O-N 3.36Å; R81-R85 VanDerWaalsContact O-N 3.1Å |
| 82 | Q | 88.8 | Confident | 78.6 | Confident | 92 Ų | 92 | 119 Ų | 119 | 43% | 0.43 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.1 | -40.8 | 174.6 | -168.7 | 59.1 | 30.5 | 0 | 0 | 112 | K78 D79 R85 N86 | K78-Q82 PolarHBondContact O-N 3.26Å; D79-Q82 PolarHBondContact O-N 3.48Å; Q82-R85 PolarHBondContact O-N 3.39Å; Q82-N86 PolarHBondContact NE2-OD1 3.48Å; Q82-N86 WeakPolarHBondContact O-CB 3.32Å; Q82-N86 PolarHBondContact O-N 3Å; Q82-N86 PolarHBondContact O-OD1 3.26Å |
| 83 | M | 87 | Confident | 80.7 | Confident | 132 Ų | 132 | 118.5 Ų | 118.5 | 65% | 0.65 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.1 | -44.3 | 176 | -174.5 | 170.2 | -179.8 | 0 | 0 | 111.5 | D79 G80 R85 N86 V87 | D79-M83 WeakPolarHBondContact O-CB 3.48Å; D79-M83 PolarHBondContact O-N 3.48Å; G80-M83 PolarHBondContact O-N 2.97Å; M83-R85 PolarHBondContact O-N 3.48Å; M83-N86 PolarHBondContact O-N 3.02Å; M83-V87 VanDerWaalsContact O-CG2 3.3Å; M83-V87 WeakPolarHBondContact O-CG2 3.33Å; M83-V87 PolarHBondContact O-N 3.28Å |
| 84 | Q | 91.4 | Very high | 82.9 | Confident | 140 Ų | 140 | 112 Ų | 112 | 65% | 0.654 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -60.1 | -43.9 | 174.5 | -73.2 | 170.1 | 0.4 | 0 | 0 | 112.2 | G80 N86 V87 A88 | G80-Q84 VanDerWaalsContact O-CG 3.28Å; G80-Q84 WeakPolarHBondContact O-CG 3.31Å; G80-Q84 PolarHBondContact O-N 3.49Å; Q84-N86 PolarHBondContact O-N 3.25Å; Q84-V87 PolarHBondContact O-N 3.09Å; Q84-A88 WeakPolarHBondContact O-CB 3.46Å; Q84-A88 PolarHBondContact O-N 3.3Å |
| 85 | R | 95.4 | Very high | 85.3 | Confident | 138 Ų | 138 | 115.8 Ų | 115.8 | 52% | 0.521 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.4 | -42.8 | 174.5 | -72.8 | 176.7 | -174.7 | 125.5 | -5.6 | 112.2 | R81 Q82 M83 A88 N89 | R81-R85 WeakPolarHBondContact O-CG 3.24Å; R81-R85 PolarHBondContact O-N 3.36Å; R81-R85 VanDerWaalsContact O-N 3.1Å; Q82-R85 PolarHBondContact O-N 3.39Å; M83-R85 PolarHBondContact O-N 3.48Å; R85-A88 PolarHBondContact O-N 2.87Å; R85-N89 WeakPolarHBondContact O-CB 3.45Å; R85-N89 PolarHBondContact O-N 3.24Å |
| 86 | N | 95.8 | Very high | 87.6 | Confident | 89 Ų | 89 | 116.6 Ų | 116.6 | 48% | 0.476 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 179.1 | -68.7 | -4.1 | 0 | 0 | 0 | 111.3 | Q82 M83 Q84 N89 A90 | Q82-N86 PolarHBondContact NE2-OD1 3.48Å; Q82-N86 WeakPolarHBondContact O-CB 3.32Å; Q82-N86 PolarHBondContact O-N 3Å; Q82-N86 PolarHBondContact O-OD1 3.26Å; M83-N86 PolarHBondContact O-N 3.02Å; Q84-N86 PolarHBondContact O-N 3.25Å; N86-N89 PolarHBondContact O-N 3.46Å; N86-A90 WeakPolarHBondContact O-CB 3.39Å; N86-A90 PolarHBondContact O-N 3.31Å |
| 87 | V | 95.1 | Very high | 89.6 | Confident | 93 Ų | 93 | 117.3 Ų | 117.3 | 56% | 0.564 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.1 | -45.1 | 174.6 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | M83 Q84 N89 A90 R91 | M83-V87 VanDerWaalsContact O-CG2 3.3Å; M83-V87 WeakPolarHBondContact O-CG2 3.33Å; M83-V87 PolarHBondContact O-N 3.28Å; Q84-V87 PolarHBondContact O-N 3.09Å; V87-N89 PolarHBondContact O-N 3.27Å; V87-A90 PolarHBondContact O-N 2.89Å; V87-R91 PolarHBondContact O-N 3.08Å |
| 88 | A | 96.3 | Very high | 91.6 | Very high | 59 Ų | 59 | 111.6 Ų | 111.6 | 49% | 0.488 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q84 R85 R91 E92 | Q84-A88 WeakPolarHBondContact O-CB 3.46Å; Q84-A88 PolarHBondContact O-N 3.3Å; R85-A88 PolarHBondContact O-N 2.87Å; A88-R91 WeakPolarHBondContact O-CB 3.47Å; A88-R91 PolarHBondContact O-N 3.05Å; A88-E92 PolarHBondContact O-N 2.91Å |
| 89 | N | 98.2 | Very high | 93.3 | Very high | 77 Ų | 77 | 107.8 Ų | 107.8 | 41% | 0.412 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 176.7 | -167.8 | -48.5 | 0 | 0 | 0 | 111.4 | R85 N86 V87 R91 E92 R93 | R85-N89 WeakPolarHBondContact O-CB 3.45Å; R85-N89 PolarHBondContact O-N 3.24Å; N86-N89 PolarHBondContact O-N 3.46Å; V87-N89 PolarHBondContact O-N 3.27Å; N89-R91 VanDerWaalsContact C-N 3.29Å; N89-R91 PolarHBondContact O-N 2.94Å; N89-E92 PolarHBondContact O-N 3.16Å; N89-E92 VanDerWaalsContact O-N 3.15Å; N89-R93 WeakPolarHBondContact O-CG 3.42Å; N89-R93 PolarHBondContact O-N 3.23Å; N89-R93 PolarHBondContact OD1-NE 2.92Å; N89-R93 PolarHBondContact OD1-NH2 3.13Å; N89-R93 VanDerWaalsContact OD1-NH2 3.12Å |
| 90 | A | 97.5 | Very high | 94.6 | Very high | 52 Ų | 52 | 105.4 Ų | 105.4 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.5 | -41.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N86 V87 R93 A94 | N86-A90 WeakPolarHBondContact O-CB 3.39Å; N86-A90 PolarHBondContact O-N 3.31Å; V87-A90 PolarHBondContact O-N 2.89Å; A90-R93 PolarHBondContact O-N 2.91Å; A90-A94 PolarHBondContact O-N 3.34Å |
| 91 | R | 98.2 | Very high | 95.5 | Very high | 203 Ų | 203 | 111.1 Ų | 111.1 | 77% | 0.766 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.1 | -44.4 | 174 | -174.4 | -178.9 | 179.6 | -172 | 0.3 | 112 | V87 A88 N89 A94 R95 | V87-R91 PolarHBondContact O-N 3.08Å; A88-R91 WeakPolarHBondContact O-CB 3.47Å; A88-R91 PolarHBondContact O-N 3.05Å; N89-R91 VanDerWaalsContact C-N 3.29Å; N89-R91 PolarHBondContact O-N 2.94Å; R91-A94 WeakPolarHBondContact O-CB 3.48Å; R91-A94 PolarHBondContact O-N 3.28Å; R91-R95 PolarHBondContact O-N 3.16Å |
| 92 | E | 98.3 | Very high | 96.2 | Very high | 74 Ų | 74 | 106.1 Ų | 106.1 | 35% | 0.346 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66 | -39.8 | 179 | -174.7 | 56.3 | -157.8 | 0 | 0 | 112 | A88 N89 A94 R95 M96 | A88-E92 PolarHBondContact O-N 2.91Å; N89-E92 PolarHBondContact O-N 3.16Å; N89-E92 VanDerWaalsContact O-N 3.15Å; E92-A94 VanDerWaalsContact C-N 3.29Å; E92-A94 PolarHBondContact O-N 3.23Å; E92-R95 WeakPolarHBondContact O-CB 3.47Å; E92-R95 PolarHBondContact O-N 3Å; E92-R95 IonicContact OE1-CZ 3.46Å; E92-R95 VanDerWaalsContact OE1-CZ 3.25Å; E92-R95 IonicContact OE1-NE 3.01Å; E92-R95 PolarHBondContact OE1-NE 3.04Å; E92-R95 IonicContact OE1-NH2 3.64Å; E92-R95 PolarHBondContact OE1-NH2 2.93Å; E92-R95 IonicContact OE2-CZ 2.86Å; E92-R95 IonicContact OE2-NE 3.01Å; E92-R95 PolarHBondContact OE2-NE 3.19Å; E92-R95 IonicContact OE2-NH2 3.93Å; E92-M96 WeakPolarHBondContact O-CG 3.45Å; E92-M96 PolarHBondContact O-N 3.41Å |
| 93 | R | 98.5 | Very high | 96.6 | Very high | 142 Ų | 142 | 103.7 Ų | 103.7 | 54% | 0.536 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59 | -42.1 | 172.1 | -69.7 | -176.8 | -163.8 | 126.7 | -0.3 | 111.5 | N89 A90 M96 R97 | N89-R93 WeakPolarHBondContact O-CG 3.42Å; N89-R93 PolarHBondContact O-N 3.23Å; N89-R93 PolarHBondContact OD1-NE 2.92Å; N89-R93 PolarHBondContact OD1-NH2 3.13Å; N89-R93 VanDerWaalsContact OD1-NH2 3.12Å; A90-R93 PolarHBondContact O-N 2.91Å; R93-M96 PolarHBondContact O-N 3.18Å; R93-R97 VanDerWaalsContact O-CG 3.31Å; R93-R97 WeakPolarHBondContact O-CG 3.39Å; R93-R97 PolarHBondContact O-N 2.77Å |
| 94 | A | 98.1 | Very high | 96.9 | Very high | 49 Ų | 49 | 100.7 Ų | 100.7 | 41% | 0.405 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A90 R91 E92 M96 R97 V98 | A90-A94 PolarHBondContact O-N 3.34Å; R91-A94 WeakPolarHBondContact O-CB 3.48Å; R91-A94 PolarHBondContact O-N 3.28Å; E92-A94 VanDerWaalsContact C-N 3.29Å; E92-A94 PolarHBondContact O-N 3.23Å; A94-M96 VanDerWaalsContact C-N 3.33Å; A94-M96 PolarHBondContact O-N 3.1Å; A94-R97 WeakPolarHBondContact O-CB 3.28Å; A94-R97 PolarHBondContact O-N 3.05Å; A94-V98 PolarHBondContact O-N 3.03Å |
| 95 | R | 98.6 | Very high | 97.1 | Very high | 162 Ų | 162 | 102.5 Ų | 102.5 | 61% | 0.611 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -56.8 | -46.7 | 174.2 | -168.1 | -178.5 | 81.2 | 148.7 | 4.1 | 111.6 | R91 E92 R97 V98 L99 | R91-R95 PolarHBondContact O-N 3.16Å; E92-R95 WeakPolarHBondContact O-CB 3.47Å; E92-R95 PolarHBondContact O-N 3Å; E92-R95 IonicContact OE1-CZ 3.46Å; E92-R95 VanDerWaalsContact OE1-CZ 3.25Å; E92-R95 IonicContact OE1-NE 3.01Å; E92-R95 PolarHBondContact OE1-NE 3.04Å; E92-R95 IonicContact OE1-NH2 3.64Å; E92-R95 PolarHBondContact OE1-NH2 2.93Å; E92-R95 IonicContact OE2-CZ 2.86Å; E92-R95 IonicContact OE2-NE 3.01Å; E92-R95 PolarHBondContact OE2-NE 3.19Å; E92-R95 IonicContact OE2-NH2 3.93Å; R95-R97 PolarHBondContact O-N 3.4Å; R95-V98 PolarHBondContact O-N 3.27Å; R95-L99 PolarHBondContact O-N 3.46Å |
| 96 | M | 98.6 | Very high | 97.1 | Very high | 68 Ų | 68 | 98.3 Ų | 98.3 | 34% | 0.335 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.8 | -34.6 | 178.8 | -72.2 | -56 | -57.3 | 0 | 0 | 112.9 | E92 R93 A94 L99 S100 | E92-M96 WeakPolarHBondContact O-CG 3.45Å; E92-M96 PolarHBondContact O-N 3.41Å; R93-M96 PolarHBondContact O-N 3.18Å; A94-M96 VanDerWaalsContact C-N 3.33Å; A94-M96 PolarHBondContact O-N 3.1Å; M96-L99 HydrophobicContact CE-CD2 4.02Å; M96-L99 PolarHBondContact O-N 3.42Å; M96-L99 HydrophobicContact SD-CD2 4.06Å; M96-S100 WeakPolarHBondContact O-CB 3.46Å; M96-S100 PolarHBondContact O-N 3.21Å; M96-S100 PolarHBondContact O-OG 3.38Å; M96-S100 VanDerWaalsContact O-OG 3.08Å |
| 97 | R | 97.9 | Very high | 97 | Very high | 191 Ų | 191 | 96.1 Ų | 96.1 | 72% | 0.721 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.4 | -44.2 | 173.4 | -74.1 | 171.3 | -177.8 | 177.6 | -1.3 | 111.6 | R93 A94 R95 S100 K101 | R93-R97 VanDerWaalsContact O-CG 3.31Å; R93-R97 WeakPolarHBondContact O-CG 3.39Å; R93-R97 PolarHBondContact O-N 2.77Å; A94-R97 WeakPolarHBondContact O-CB 3.28Å; A94-R97 PolarHBondContact O-N 3.05Å; R95-R97 PolarHBondContact O-N 3.4Å; R97-S100 PolarHBondContact O-N 2.95Å; R97-K101 WeakPolarHBondContact O-CB 3.44Å; R97-K101 PolarHBondContact O-N 3.44Å |
| 98 | V | 98.2 | Very high | 96.9 | Very high | 106 Ų | 106 | 96.1 Ų | 96.1 | 64% | 0.642 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.3 | -47.2 | 176.4 | 176.6 | 0 | 0 | 0 | 0 | 110.6 | A94 R95 S100 K101 A102 | A94-V98 PolarHBondContact O-N 3.03Å; R95-V98 PolarHBondContact O-N 3.27Å; V98-S100 PolarHBondContact O-N 2.92Å; V98-K101 PolarHBondContact O-N 3.08Å; V98-A102 PolarHBondContact O-N 2.86Å |
| 99 | L | 97.9 | Very high | 96.7 | Very high | 98 Ų | 98 | 96.6 Ų | 96.6 | 51% | 0.513 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.1 | -47.8 | 177.4 | 178.5 | 59.6 | 0 | 0 | 0 | 111.8 | R95 M96 K101 A102 F103 | R95-L99 PolarHBondContact O-N 3.46Å; M96-L99 HydrophobicContact CE-CD2 4.02Å; M96-L99 PolarHBondContact O-N 3.42Å; M96-L99 HydrophobicContact SD-CD2 4.06Å; L99-K101 VanDerWaalsContact C-N 3.32Å; L99-K101 PolarHBondContact O-N 2.79Å; L99-A102 PolarHBondContact O-N 3.17Å; L99-F103 WeakPolarHBondContact O-CB 3.29Å; L99-F103 PolarHBondContact O-N 3.31Å |
| 100 | S | 97.1 | Very high | 96.4 | Very high | 59 Ų | 59 | 93.4 Ų | 93.4 | 41% | 0.413 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 177.8 | -66.7 | 0 | 0 | 0 | 0 | 112 | M96 R97 V98 F103 S104 | M96-S100 WeakPolarHBondContact O-CB 3.46Å; M96-S100 PolarHBondContact O-N 3.21Å; M96-S100 PolarHBondContact O-OG 3.38Å; M96-S100 VanDerWaalsContact O-OG 3.08Å; R97-S100 PolarHBondContact O-N 2.95Å; V98-S100 PolarHBondContact O-N 2.92Å; S100-F103 PolarHBondContact O-N 3.36Å; S100-S104 PolarHBondContact O-N 2.77Å; S100-S104 PolarHBondContact O-OG 3.16Å |
| 101 | K | 96.8 | Very high | 95.8 | Very high | 154 Ų | 154 | 92.6 Ų | 92.6 | 67% | 0.67 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63 | -45.2 | 175.4 | -174.9 | 176.8 | -178.7 | 178.2 | 0 | 111.6 | R97 V98 L99 F103 S104 R105 | R97-K101 WeakPolarHBondContact O-CB 3.44Å; R97-K101 PolarHBondContact O-N 3.44Å; V98-K101 PolarHBondContact O-N 3.08Å; L99-K101 VanDerWaalsContact C-N 3.32Å; L99-K101 PolarHBondContact O-N 2.79Å; K101-F103 VanDerWaalsContact C-N 3.31Å; K101-F103 PolarHBondContact O-N 3Å; K101-S104 PolarHBondContact O-N 2.96Å; K101-R105 WeakPolarHBondContact O-CG 3.2Å; K101-R105 PolarHBondContact O-N 3.16Å; K101-R105 VanDerWaalsContact O-N 3.09Å |
| 102 | A | 97.1 | Very high | 94.9 | Very high | 51 Ų | 51 | 92.6 Ų | 92.6 | 42% | 0.421 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V98 L99 R105 L106 | V98-A102 PolarHBondContact O-N 2.86Å; L99-A102 PolarHBondContact O-N 3.17Å; A102-R105 WeakPolarHBondContact O-CB 3.42Å; A102-R105 PolarHBondContact O-N 2.85Å; A102-L106 PolarHBondContact O-N 3Å |
| 103 | F | 96.4 | Very high | 94.2 | Very high | 41 Ų | 41 | 90.1 Ų | 90.1 | 18% | 0.18 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 177.3 | -167.7 | -93.3 | 0 | 0 | 0 | 112.5 | L99 S100 K101 R105 L106 K107 K121 T124 L125 | L99-F103 WeakPolarHBondContact O-CB 3.29Å; L99-F103 PolarHBondContact O-N 3.31Å; S100-F103 PolarHBondContact O-N 3.36Å; K101-F103 VanDerWaalsContact C-N 3.31Å; K101-F103 PolarHBondContact O-N 3Å; F103-R105 VanDerWaalsContact C-N 3.34Å; F103-R105 PolarHBondContact O-N 2.72Å; F103-L106 WeakPolarHBondContact O-CB 3.13Å; F103-L106 PolarHBondContact O-N 3.38Å; F103-K107 HydrophobicContact CD1-CD 4.43Å; F103-K107 HydrophobicContact CE1-CD 4.09Å; F103-K107 HydrophobicContact CE1-CG 4.14Å; F103-K107 PolarHBondContact O-N 2.73Å; F103-K107 VanDerWaalsContact O-N 3.08Å; F103-K121 HydrophobicContact CE1-CG 4.11Å; F103-K121 HydrophobicContact CE2-CB 4.4Å; F103-K121 HydrophobicContact CE2-CG 4.3Å; F103-K121 VanDerWaalsContact CZ-CA 3.48Å; F103-K121 HydrophobicContact CZ-CB 4.09Å; F103-K121 HydrophobicContact CZ-CG 3.93Å; F103-T124 HydrophobicContact CE1-CG2 4.3Å; F103-T124 HydrophobicContact CE2-CG2 4.16Å; F103-T124 VanDerWaalsContact CZ-CB 3.42Å; F103-T124 HydrophobicContact CZ-CG2 3.71Å; F103-T124 WeakPolarHBondContact CZ-OG1 2.99Å; F103-L125 HydrophobicContact CE2-CG 4.5Å |
| 104 | S | 94.1 | Very high | 93.3 | Very high | 69 Ų | 69 | 85.9 Ų | 85.9 | 48% | 0.483 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 173.2 | -63.2 | 0 | 0 | 0 | 0 | 112.2 | S100 K101 L106 K107 T108 | S100-S104 PolarHBondContact O-N 2.77Å; S100-S104 PolarHBondContact O-OG 3.16Å; K101-S104 PolarHBondContact O-N 2.96Å; S104-L106 VanDerWaalsContact C-N 3.31Å; S104-L106 PolarHBondContact O-N 2.99Å; S104-K107 WeakPolarHBondContact O-CB 3.44Å; S104-K107 PolarHBondContact O-N 3.08Å; S104-T108 PolarHBondContact O-N 2.7Å; S104-T108 VanDerWaalsContact O-N 3.16Å; S104-T108 PolarHBondContact O-OG1 2.96Å |
| 105 | R | 95 | Very high | 92.3 | Very high | 178 Ų | 178 | 87.4 Ų | 87.4 | 67% | 0.672 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.8 | -38.4 | 174.6 | -70.4 | 172.9 | 65.3 | -160.3 | 0.8 | 112.1 | K101 A102 F103 T108 S109 | K101-R105 WeakPolarHBondContact O-CG 3.2Å; K101-R105 PolarHBondContact O-N 3.16Å; K101-R105 VanDerWaalsContact O-N 3.09Å; A102-R105 WeakPolarHBondContact O-CB 3.42Å; A102-R105 PolarHBondContact O-N 2.85Å; F103-R105 VanDerWaalsContact C-N 3.34Å; F103-R105 PolarHBondContact O-N 2.72Å; R105-T108 WeakPolarHBondContact CA-OG1 3.47Å; R105-T108 PolarHBondContact O-N 2.98Å; R105-T108 PolarHBondContact O-OG1 2.97Å; R105-S109 PolarHBondContact O-N 2.82Å |
| 106 | L | 95.6 | Very high | 91.4 | Very high | 50 Ų | 50 | 86.3 Ų | 86.3 | 26% | 0.262 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.2 | -47.5 | 174 | 179.6 | 63.4 | 0 | 0 | 0 | 110.5 | A102 F103 S104 T108 S109 T124 L125 A128 | A102-L106 PolarHBondContact O-N 3Å; F103-L106 WeakPolarHBondContact O-CB 3.13Å; F103-L106 PolarHBondContact O-N 3.38Å; S104-L106 VanDerWaalsContact C-N 3.31Å; S104-L106 PolarHBondContact O-N 2.99Å; L106-T108 VanDerWaalsContact C-N 3.3Å; L106-T108 PolarHBondContact O-N 2.81Å; L106-S109 PolarHBondContact O-N 3.18Å; L106-S109 PolarHBondContact O-OG 2.86Å; L106-T124 HydrophobicContact CD2-CG2 3.93Å; L106-T124 HydrophobicContact CG-CG2 3.97Å; L106-L125 HydrophobicContact CD2-CD2 4.17Å; L106-A128 HydrophobicContact CD1-CB 3.87Å; L106-A128 HydrophobicContact CD2-CB 4.36Å; L106-A128 HydrophobicContact CG-CB 4.39Å |
| 107 | K | 93.3 | Very high | 90.8 | Very high | 43 Ų | 43 | 84.8 Ų | 84.8 | 19% | 0.187 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -55.1 | -44.5 | 177.2 | -71 | -178.1 | 58.9 | 179 | 0 | 112.8 | F103 S104 S109 L110 T117 T124 | F103-K107 HydrophobicContact CD1-CD 4.43Å; F103-K107 HydrophobicContact CE1-CD 4.09Å; F103-K107 HydrophobicContact CE1-CG 4.14Å; F103-K107 PolarHBondContact O-N 2.73Å; F103-K107 VanDerWaalsContact O-N 3.08Å; S104-K107 WeakPolarHBondContact O-CB 3.44Å; S104-K107 PolarHBondContact O-N 3.08Å; K107-S109 PolarHBondContact O-N 2.99Å; K107-L110 WeakPolarHBondContact O-CB 3Å; K107-L110 PolarHBondContact O-N 3.24Å; K107-T117 WeakPolarHBondContact CE-O 3.36Å; K107-T117 PolarHBondContact NZ-O 3.2Å; K107-T124 HydrophobicContact CG-CG2 3.67Å |
| 108 | T | 92.4 | Very high | 90.2 | Very high | 93 Ų | 93 | 85.5 Ų | 85.5 | 57% | 0.571 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -72.2 | -15.4 | -179.2 | 53.7 | 0 | 0 | 0 | 0 | 113.9 | S104 R105 L106 L110 A115 | S104-T108 PolarHBondContact O-N 2.7Å; S104-T108 VanDerWaalsContact O-N 3.16Å; S104-T108 PolarHBondContact O-OG1 2.96Å; R105-T108 WeakPolarHBondContact CA-OG1 3.47Å; R105-T108 PolarHBondContact O-N 2.98Å; R105-T108 PolarHBondContact O-OG1 2.97Å; L106-T108 VanDerWaalsContact C-N 3.3Å; L106-T108 PolarHBondContact O-N 2.81Å; T108-L110 VanDerWaalsContact C-N 3.34Å; T108-A115 HydrophobicContact CG2-CB 4.37Å |
| 109 | S | 92.9 | Very high | 89.7 | Confident | 68 Ų | 68 | 82 Ų | 82 | 48% | 0.476 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -8.9 | 174.5 | 68.6 | 0 | 0 | 0 | 0 | 113.5 | R105 L106 K107 | R105-S109 PolarHBondContact O-N 2.82Å; L106-S109 PolarHBondContact O-N 3.18Å; L106-S109 PolarHBondContact O-OG 2.86Å; K107-S109 PolarHBondContact O-N 2.99Å |
| 110 | L | 91.4 | Very high | 89.4 | Confident | 11 Ų | 11 | 80 Ų | 80 | 6% | 0.058 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -76.8 | 129.1 | 177.6 | -64.1 | 177.9 | 0 | 0 | 0 | 109.7 | K107 T108 V113 L119 T124 L127 A128 | K107-L110 WeakPolarHBondContact O-CB 3Å; K107-L110 PolarHBondContact O-N 3.24Å; T108-L110 VanDerWaalsContact C-N 3.34Å; L110-V113 HydrophobicContact CB-CB 4.23Å; L110-V113 HydrophobicContact CB-CG2 3.95Å; L110-L119 HydrophobicContact CD1-CD1 3.89Å; L110-T124 HydrophobicContact CD1-CG2 3.99Å; L110-L127 HydrophobicContact CD1-CB 3.72Å; L110-L127 HydrophobicContact CD1-CD1 3.77Å; L110-L127 HydrophobicContact CD1-CG 4.4Å; L110-L127 HydrophobicContact CD2-CB 4.09Å; L110-A128 HydrophobicContact CD2-CB 4Å |
| 111 | P | 86 | Confident | 89.3 | Confident | 35 Ų | 35 | 83.6 Ų | 83.6 | 23% | 0.227 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 154.9 | 176.3 | 34.1 | -38.5 | 0 | 0 | 0 | 109.8 | V113 Y131 | P111-V113 PolarHBondContact O-N 2.86Å; P111-Y131 HydrophobicContact CB-CE2 4.49Å; P111-Y131 HydrophobicContact CG-CD1 4.39Å; P111-Y131 HydrophobicContact CG-CD2 3.72Å; P111-Y131 HydrophobicContact CG-CE1 4.28Å; P111-Y131 HydrophobicContact CG-CE2 3.61Å; P111-Y131 HydrophobicContact CG-CG 4.13Å |
| 112 | W | 78.9 | Confident | 89.2 | Confident | 202 Ų | 202 | 80.7 Ų | 80.7 | 77% | 0.765 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 7.2 | 175 | -22.8 | 98 | 0 | 0 | 0 | 115.6 | P114 | W112-P114 WeakPolarHBondContact O-CD 3.19Š|
| 113 | V | 83.4 | Confident | 88.9 | Confident | 23 Ų | 23 | 81.2 Ų | 81.2 | 14% | 0.139 | 42% | 0.421 | C | S | . | . | trans | -107.8 | 109.3 | 176.7 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | L110 P111 T117 L119 L127 | L110-V113 HydrophobicContact CB-CB 4.23Å; L110-V113 HydrophobicContact CB-CG2 3.95Å; P111-V113 PolarHBondContact O-N 2.86Å; V113-T117 HydrophobicContact CG1-CG2 4.33Å; V113-L119 HydrophobicContact CG1-CD1 3.59Å; V113-L119 HydrophobicContact CG1-CG 4.13Å; V113-L119 HydrophobicContact CG2-CD1 4.22Å; V113-L127 HydrophobicContact CG2-CD1 4.35Å | ||
| 114 | P | 79.8 | Confident | 88.7 | Confident | 53 Ų | 53 | 79.3 Ų | 79.3 | 34% | 0.344 | 41% | 0.413 | S | S | . | . | trans | -55.8 | 139.9 | 169.4 | -25 | 33.6 | 0 | 0 | 0 | 111.4 | W112 D116 T117 | W112-P114 WeakPolarHBondContact O-CD 3.19Å; P114-D116 WeakPolarHBondContact CB-OD1 3.44Å; P114-D116 PolarHBondContact O-N 3.07Å; P114-D116 VanDerWaalsContact O-N 3.13Å; P114-T117 WeakPolarHBondContact CD-OG1 3.38Å; P114-T117 WeakPolarHBondContact O-CB 3.05Å; P114-T117 PolarHBondContact O-N 2.82Å; P114-T117 PolarHBondContact O-OG1 3.09Å | ||
| 115 | A | 76.5 | Confident | 88.8 | Confident | 80 Ų | 80 | 80.2 Ų | 80.2 | 66% | 0.661 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -24.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | T108 T117 | T108-A115 HydrophobicContact CG2-CB 4.37Å; A115-T117 VanDerWaalsContact C-N 3.34Å |
| 116 | D | 79.9 | Confident | 88.6 | Confident | 139 Ų | 139 | 78.3 Ų | 78.3 | 74% | 0.743 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -7.7 | 176.1 | 60.3 | -37 | 0 | 0 | 0 | 113.7 | P114 K118 | P114-D116 WeakPolarHBondContact CB-OD1 3.44Å; P114-D116 PolarHBondContact O-N 3.07Å; P114-D116 VanDerWaalsContact O-N 3.13Å; D116-K118 PolarHBondContact O-N 2.92Å |
| 117 | T | 85.6 | Confident | 88.4 | Confident | 37 Ų | 37 | 76.4 Ų | 76.4 | 23% | 0.227 | 40% | 0.395 | C | S | . | . | trans | -65.6 | 129.1 | 178.8 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | K107 V113 P114 A115 L119 | K107-T117 WeakPolarHBondContact CE-O 3.36Å; K107-T117 PolarHBondContact NZ-O 3.2Å; V113-T117 HydrophobicContact CG1-CG2 4.33Å; P114-T117 WeakPolarHBondContact CD-OG1 3.38Å; P114-T117 WeakPolarHBondContact O-CB 3.05Å; P114-T117 PolarHBondContact O-N 2.82Å; P114-T117 PolarHBondContact O-OG1 3.09Å; A115-T117 VanDerWaalsContact C-N 3.34Å; T117-L119 VanDerWaalsContact C-N 3.35Å; T117-L119 HydrophobicContact CG2-CD2 4.16Å; T117-L119 HydrophobicContact CG2-CG 4.21Å; T117-L119 PolarHBondContact O-N 3.07Å | ||
| 118 | K | 85.3 | Confident | 88.5 | Confident | 205 Ų | 205 | 75 Ų | 75 | 89% | 0.891 | 39% | 0.391 | S | S | * | . | trans | -80 | 77.7 | 176.3 | -65.8 | -176.8 | -177.8 | 174.8 | 0 | 111.2 | D116 | D116-K118 PolarHBondContact O-N 2.92Š| ||
| 119 | L | 87.5 | Confident | 88.6 | Confident | 34 Ų | 34 | 74 Ų | 74 | 18% | 0.178 | 39% | 0.388 | C | S | . | . | trans | -80.2 | 138.7 | 169.1 | -64.5 | 178.9 | 0 | 0 | 0 | 112.2 | L110 V113 T117 T124 L127 | L110-L119 HydrophobicContact CD1-CD1 3.89Å; V113-L119 HydrophobicContact CG1-CD1 3.59Å; V113-L119 HydrophobicContact CG1-CG 4.13Å; V113-L119 HydrophobicContact CG2-CD1 4.22Å; T117-L119 VanDerWaalsContact C-N 3.35Å; T117-L119 HydrophobicContact CG2-CD2 4.16Å; T117-L119 HydrophobicContact CG2-CG 4.21Å; T117-L119 PolarHBondContact O-N 3.07Å; L119-T124 WeakPolarHBondContact CB-OG1 3.43Å; L119-L127 HydrophobicContact CD1-CD1 3.59Å; L119-L127 HydrophobicContact CD2-CD1 3.93Å; L119-L127 HydrophobicContact CG-CD1 4.4Å | ||
| 120 | S | 93.1 | Very high | 88.4 | Confident | 54 Ų | 54 | 71.8 Ų | 71.8 | 38% | 0.378 | 37% | 0.372 | S | S | . | . | trans | -71 | 165.2 | 171.3 | 86.5 | 0 | 0 | 0 | 0 | 111.6 | L122 D123 T124 | S120-L122 VanDerWaalsContact C-N 3.33Å; S120-L122 PolarHBondContact O-N 3.01Å; S120-L122 PolarHBondContact OG-N 2.77Å; S120-D123 VanDerWaalsContact CB-OD2 3.32Å; S120-D123 WeakPolarHBondContact CB-OD2 3.1Å; S120-D123 PolarHBondContact O-N 3.27Å; S120-D123 WeakPolarHBondContact OG-CB 3.37Å; S120-D123 PolarHBondContact OG-N 3.32Å; S120-D123 PolarHBondContact OG-OD2 3.01Å; S120-T124 PolarHBondContact O-N 3.48Å; S120-T124 VanDerWaalsContact O-N 3.08Å; S120-T124 PolarHBondContact O-OG1 2.98Å | ||
| 121 | K | 93.6 | Very high | 88.5 | Confident | 135 Ų | 135 | 74.4 Ų | 74.4 | 59% | 0.587 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -59.8 | -45.6 | 176.6 | -75.6 | -174.7 | -177.5 | 176.1 | 0 | 112.2 | F103 L125 | F103-K121 HydrophobicContact CE1-CG 4.11Å; F103-K121 HydrophobicContact CE2-CB 4.4Å; F103-K121 HydrophobicContact CE2-CG 4.3Å; F103-K121 VanDerWaalsContact CZ-CA 3.48Å; F103-K121 HydrophobicContact CZ-CB 4.09Å; F103-K121 HydrophobicContact CZ-CG 3.93Å; K121-L125 VanDerWaalsContact O-CG 3.3Å; K121-L125 WeakPolarHBondContact O-CG 3.39Å; K121-L125 PolarHBondContact O-N 3.19Å |
| 122 | L | 94.8 | Very high | 88.8 | Confident | 94 Ų | 94 | 76.7 Ų | 76.7 | 49% | 0.492 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.3 | -45.5 | -178.7 | 179.2 | 61.6 | 0 | 0 | 0 | 111.3 | S120 T124 L125 R126 | S120-L122 VanDerWaalsContact C-N 3.33Å; S120-L122 PolarHBondContact O-N 3.01Å; S120-L122 PolarHBondContact OG-N 2.77Å; L122-T124 PolarHBondContact O-N 3.19Å; L122-L125 PolarHBondContact O-N 3.03Å; L122-L125 VanDerWaalsContact O-N 3.17Å; L122-R126 HydrophobicContact CD1-CG 4.44Å; L122-R126 WeakPolarHBondContact O-CG 3.43Å; L122-R126 PolarHBondContact O-N 3.43Å |
| 123 | D | 90.9 | Very high | 89.4 | Confident | 62 Ų | 62 | 70.1 Ų | 70.1 | 33% | 0.332 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.9 | -47.7 | -177.9 | -60.5 | -37.6 | 0 | 0 | 0 | 110.2 | S120 L125 R126 L127 | S120-D123 VanDerWaalsContact CB-OD2 3.32Å; S120-D123 WeakPolarHBondContact CB-OD2 3.1Å; S120-D123 PolarHBondContact O-N 3.27Å; S120-D123 WeakPolarHBondContact OG-CB 3.37Å; S120-D123 PolarHBondContact OG-N 3.32Å; S120-D123 PolarHBondContact OG-OD2 3.01Å; D123-L125 PolarHBondContact O-N 3.39Å; D123-L125 VanDerWaalsContact O-N 3.16Å; D123-R126 CarbonylContact O-C 3.6Å; D123-R126 WeakPolarHBondContact O-CA 3.37Å; D123-R126 WeakPolarHBondContact O-CB 3.48Å; D123-R126 PolarHBondContact O-N 2.89Å; D123-L127 VanDerWaalsContact O-CG 3.24Å; D123-L127 WeakPolarHBondContact O-CG 3.3Å; D123-L127 PolarHBondContact O-N 3.15Å |
| 124 | T | 93.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -53.2 | -41.3 | 176 | -50.6 | 0 | 0 | 0 | 0 | 112.2 | F103 L106 K107 L110 L119 S120 L122 A128 | F103-T124 HydrophobicContact CE1-CG2 4.3Å; F103-T124 HydrophobicContact CE2-CG2 4.16Å; F103-T124 VanDerWaalsContact CZ-CB 3.42Å; F103-T124 HydrophobicContact CZ-CG2 3.71Å; F103-T124 WeakPolarHBondContact CZ-OG1 2.99Å; L106-T124 HydrophobicContact CD2-CG2 3.93Å; L106-T124 HydrophobicContact CG-CG2 3.97Å; K107-T124 HydrophobicContact CG-CG2 3.67Å; L110-T124 HydrophobicContact CD1-CG2 3.99Å; L119-T124 WeakPolarHBondContact CB-OG1 3.43Å; S120-T124 PolarHBondContact O-N 3.48Å; S120-T124 VanDerWaalsContact O-N 3.08Å; S120-T124 PolarHBondContact O-OG1 2.98Å; L122-T124 PolarHBondContact O-N 3.19Å; T124-A128 VanDerWaalsContact O-CB 3.29Å; T124-A128 WeakPolarHBondContact O-CB 3.42Å; T124-A128 PolarHBondContact O-N 3.38Å |
| 125 | L | 95.5 | Very high | 90 | Very high | 89 Ų | 89 | 71.4 Ų | 71.4 | 47% | 0.466 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.5 | -39.8 | 178 | -67.2 | 173.4 | 0 | 0 | 0 | 112.3 | F103 L106 K121 L122 D123 S129 | F103-L125 HydrophobicContact CE2-CG 4.5Å; L106-L125 HydrophobicContact CD2-CD2 4.17Å; K121-L125 VanDerWaalsContact O-CG 3.3Å; K121-L125 WeakPolarHBondContact O-CG 3.39Å; K121-L125 PolarHBondContact O-N 3.19Å; L122-L125 PolarHBondContact O-N 3.03Å; L122-L125 VanDerWaalsContact O-N 3.17Å; D123-L125 PolarHBondContact O-N 3.39Å; D123-L125 VanDerWaalsContact O-N 3.16Å; L125-S129 WeakPolarHBondContact O-CB 3.31Å; L125-S129 PolarHBondContact O-N 3.35Å; L125-S129 PolarHBondContact O-OG 3.48Å |
| 126 | R | 91.7 | Very high | 90.7 | Very high | 137 Ų | 137 | 74.9 Ų | 74.9 | 52% | 0.517 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 174.4 | -72.2 | 176.5 | 170.2 | 174.4 | -5.3 | 111.2 | L122 D123 S129 S130 | L122-R126 HydrophobicContact CD1-CG 4.44Å; L122-R126 WeakPolarHBondContact O-CG 3.43Å; L122-R126 PolarHBondContact O-N 3.43Å; D123-R126 CarbonylContact O-C 3.6Å; D123-R126 WeakPolarHBondContact O-CA 3.37Å; D123-R126 WeakPolarHBondContact O-CB 3.48Å; D123-R126 PolarHBondContact O-N 2.89Å; R126-S129 PolarHBondContact O-N 3.02Å; R126-S130 PolarHBondContact O-N 3.47Å |
| 127 | L | 91.8 | Very high | 91 | Very high | 11 Ų | 11 | 73.9 Ų | 73.9 | 6% | 0.058 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.3 | -48.3 | 178.2 | -59.5 | 177.3 | 0 | 0 | 0 | 110.8 | L110 V113 L119 D123 S129 S130 Y131 H150 V152 | L110-L127 HydrophobicContact CD1-CB 3.72Å; L110-L127 HydrophobicContact CD1-CD1 3.77Å; L110-L127 HydrophobicContact CD1-CG 4.4Å; L110-L127 HydrophobicContact CD2-CB 4.09Å; V113-L127 HydrophobicContact CG2-CD1 4.35Å; L119-L127 HydrophobicContact CD1-CD1 3.59Å; L119-L127 HydrophobicContact CD2-CD1 3.93Å; L119-L127 HydrophobicContact CG-CD1 4.4Å; D123-L127 VanDerWaalsContact O-CG 3.24Å; D123-L127 WeakPolarHBondContact O-CG 3.3Å; D123-L127 PolarHBondContact O-N 3.15Å; L127-S129 PolarHBondContact O-N 3.1Å; L127-S130 PolarHBondContact O-N 3.07Å; L127-Y131 WeakPolarHBondContact O-CB 3.46Å; L127-Y131 PolarHBondContact O-N 2.96Å; L127-H150 WeakPolarHBondContact CD2-CE1 3.43Å; L127-H150 WeakPolarHBondContact CD2-ND1 3.37Å; L127-H150 WeakPolarHBondContact CD2-NE2 3.4Å; L127-V152 HydrophobicContact CD2-CG2 4.39Å |
| 128 | A | 94.6 | Very high | 91.1 | Very high | 13 Ų | 13 | 73.9 Ų | 73.9 | 11% | 0.107 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L106 L110 T124 S130 Y131 I132 | L106-A128 HydrophobicContact CD1-CB 3.87Å; L106-A128 HydrophobicContact CD2-CB 4.36Å; L106-A128 HydrophobicContact CG-CB 4.39Å; L110-A128 HydrophobicContact CD2-CB 4Å; T124-A128 VanDerWaalsContact O-CB 3.29Å; T124-A128 WeakPolarHBondContact O-CB 3.42Å; T124-A128 PolarHBondContact O-N 3.38Å; A128-S130 VanDerWaalsContact C-N 3.35Å; A128-S130 PolarHBondContact O-N 3.28Å; A128-Y131 PolarHBondContact O-N 2.87Å; A128-I132 WeakPolarHBondContact O-CG1 3.45Å; A128-I132 PolarHBondContact O-N 3.49Å |
| 129 | S | 93.8 | Very high | 91.3 | Very high | 73 Ų | 73 | 71.3 Ų | 71.3 | 51% | 0.51 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 178.6 | -57 | 0 | 0 | 0 | 0 | 111.3 | L125 R126 L127 Y131 I132 S133 | L125-S129 WeakPolarHBondContact O-CB 3.31Å; L125-S129 PolarHBondContact O-N 3.35Å; L125-S129 PolarHBondContact O-OG 3.48Å; R126-S129 PolarHBondContact O-N 3.02Å; L127-S129 PolarHBondContact O-N 3.1Å; S129-Y131 VanDerWaalsContact C-N 3.34Å; S129-Y131 PolarHBondContact O-N 3.25Å; S129-I132 PolarHBondContact O-N 3.49Å; S129-S133 PolarHBondContact O-N 3.28Å; S129-S133 VanDerWaalsContact O-N 3.13Å; S129-S133 PolarHBondContact O-OG 2.94Å |
| 130 | S | 90.2 | Very high | 91.1 | Very high | 20 Ų | 20 | 76.9 Ų | 76.9 | 14% | 0.14 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 175.5 | -172.4 | 0 | 0 | 0 | 0 | 112.4 | R126 L127 A128 S133 H134 F148 P151 | R126-S130 PolarHBondContact O-N 3.47Å; L127-S130 PolarHBondContact O-N 3.07Å; A128-S130 VanDerWaalsContact C-N 3.35Å; A128-S130 PolarHBondContact O-N 3.28Å; S130-S133 PolarHBondContact O-N 2.58Å; S130-H134 PolarHBondContact O-N 3.31Å; S130-F148 WeakPolarHBondContact OG-CZ 3.35Å; S130-P151 WeakPolarHBondContact OG-CD 3.24Å; S130-P151 WeakPolarHBondContact OG-CG 3.5Å |
| 131 | Y | 92.9 | Very high | 90 | Very high | 67 Ų | 67 | 80.9 Ų | 80.9 | 26% | 0.263 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.8 | -42 | -179.5 | -177.5 | -134.1 | 0 | 0 | 0 | 111.7 | P111 L127 A128 S129 S133 H134 L135 | P111-Y131 HydrophobicContact CB-CE2 4.49Å; P111-Y131 HydrophobicContact CG-CD1 4.39Å; P111-Y131 HydrophobicContact CG-CD2 3.72Å; P111-Y131 HydrophobicContact CG-CE1 4.28Å; P111-Y131 HydrophobicContact CG-CE2 3.61Å; P111-Y131 HydrophobicContact CG-CG 4.13Å; L127-Y131 WeakPolarHBondContact O-CB 3.46Å; L127-Y131 PolarHBondContact O-N 2.96Å; A128-Y131 PolarHBondContact O-N 2.87Å; S129-Y131 VanDerWaalsContact C-N 3.34Å; S129-Y131 PolarHBondContact O-N 3.25Å; Y131-S133 VanDerWaalsContact C-N 3.35Å; Y131-S133 PolarHBondContact O-N 3.25Å; Y131-H134 PolarHBondContact O-N 3.38Å; Y131-L135 HydrophobicContact CD1-CD1 4.21Å; Y131-L135 HydrophobicContact CD2-CD1 4.37Å; Y131-L135 HydrophobicContact CD2-CG 4.1Å; Y131-L135 HydrophobicContact CE1-CD1 3.79Å; Y131-L135 HydrophobicContact CE1-CG 4.48Å; Y131-L135 HydrophobicContact CE2-CD1 3.94Å; Y131-L135 HydrophobicContact CE2-CD2 3.73Å; Y131-L135 HydrophobicContact CE2-CG 3.72Å; Y131-L135 HydrophobicContact CG-CD1 4.49Å; Y131-L135 WeakPolarHBondContact O-CG 3.39Å; Y131-L135 PolarHBondContact O-N 2.96Å |
| 132 | I | 93.1 | Very high | 88.5 | Confident | 83 Ų | 83 | 81.9 Ų | 81.9 | 43% | 0.426 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.7 | -46.5 | 173.7 | -67.3 | 165.2 | 0 | 0 | 0 | 110.9 | A128 S129 H134 L135 R136 | A128-I132 WeakPolarHBondContact O-CG1 3.45Å; A128-I132 PolarHBondContact O-N 3.49Å; S129-I132 PolarHBondContact O-N 3.49Å; I132-H134 VanDerWaalsContact C-N 3.34Å; I132-H134 PolarHBondContact O-N 3.5Å; I132-L135 PolarHBondContact O-N 2.93Å; I132-R136 VanDerWaalsContact O-CG 3.31Å; I132-R136 WeakPolarHBondContact O-CG 3.44Å; I132-R136 PolarHBondContact O-N 2.89Å |
| 133 | S | 90.2 | Very high | 86.8 | Confident | 63 Ų | 63 | 83 Ų | 83 | 44% | 0.441 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 178.4 | -64.3 | 0 | 0 | 0 | 0 | 112.2 | S129 S130 Y131 R136 Q137 | S129-S133 PolarHBondContact O-N 3.28Å; S129-S133 VanDerWaalsContact O-N 3.13Å; S129-S133 PolarHBondContact O-OG 2.94Å; S130-S133 PolarHBondContact O-N 2.58Å; Y131-S133 VanDerWaalsContact C-N 3.35Å; Y131-S133 PolarHBondContact O-N 3.25Å; S133-R136 WeakPolarHBondContact O-CB 2.96Å; S133-R136 PolarHBondContact O-N 3.41Å; S133-Q137 WeakPolarHBondContact O-CG 3.4Å; S133-Q137 PolarHBondContact O-N 3.12Å |
| 134 | H | 87 | Confident | 85.3 | Confident | 36 Ų | 36 | 88.8 Ų | 88.8 | 17% | 0.167 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.8 | -46.7 | 177.4 | 174.1 | -132.7 | 0 | 0 | 0 | 112.4 | S130 Y131 I132 R136 Q137 L138 F148 | S130-H134 PolarHBondContact O-N 3.31Å; Y131-H134 PolarHBondContact O-N 3.38Å; I132-H134 VanDerWaalsContact C-N 3.34Å; I132-H134 PolarHBondContact O-N 3.5Å; H134-R136 PolarHBondContact O-N 2.87Å; H134-Q137 PolarHBondContact O-N 3.01Å; H134-Q137 VanDerWaalsContact O-N 3.13Å; H134-L138 WeakPolarHBondContact O-CG 3.49Å; H134-L138 PolarHBondContact O-N 3.27Å; H134-F148 HydrophobicContact CB-CD2 3.54Å; H134-F148 HydrophobicContact CB-CE2 3.45Å; H134-F148 VanDerWaalsContact CB-CE2 3.45Å; H134-F148 AromaticContact CD2-CD2 3.92Å; H134-F148 AromaticContact CE1-CD2 3.86Å; H134-F148 AromaticContact CG-CD2 3.31Å; H134-F148 AromaticContact CG-CE2 3.79Å; H134-F148 AromaticContact ND1-CD2 3.28Å; H134-F148 VanDerWaalsContact ND1-CD2 3.28Å; H134-F148 WeakPolarHBondContact ND1-CD2 3.46Å; H134-F148 AromaticContact ND1-CE2 3.92Å; H134-F148 AromaticContact ND1-CG 3.74Å |
| 135 | L | 90.2 | Very high | 83.5 | Confident | 67 Ų | 67 | 94.3 Ų | 94.3 | 35% | 0.351 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.9 | -37.4 | 175.4 | -68.5 | 177.8 | 0 | 0 | 0 | 111.9 | Y131 I132 L138 L139 | Y131-L135 HydrophobicContact CD1-CD1 4.21Å; Y131-L135 HydrophobicContact CD2-CD1 4.37Å; Y131-L135 HydrophobicContact CD2-CG 4.1Å; Y131-L135 HydrophobicContact CE1-CD1 3.79Å; Y131-L135 HydrophobicContact CE1-CG 4.48Å; Y131-L135 HydrophobicContact CE2-CD1 3.94Å; Y131-L135 HydrophobicContact CE2-CD2 3.73Å; Y131-L135 HydrophobicContact CE2-CG 3.72Å; Y131-L135 HydrophobicContact CG-CD1 4.49Å; Y131-L135 WeakPolarHBondContact O-CG 3.39Å; Y131-L135 PolarHBondContact O-N 2.96Å; I132-L135 PolarHBondContact O-N 2.93Å; L135-L138 HydrophobicContact CD2-CD1 4.37Å; L135-L139 VanDerWaalsContact O-CG 3.26Å; L135-L139 WeakPolarHBondContact O-CG 3.48Å; L135-L139 PolarHBondContact O-N 3.24Å; L135-L139 VanDerWaalsContact O-N 3.14Å |
| 136 | R | 90.7 | Very high | 81.5 | Confident | 153 Ų | 153 | 95.6 Ų | 95.6 | 58% | 0.577 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.5 | -42.2 | 175.4 | -73 | 171.5 | 174.9 | 177.1 | -1.7 | 112.4 | I132 S133 H134 L139 Q140 | I132-R136 VanDerWaalsContact O-CG 3.31Å; I132-R136 WeakPolarHBondContact O-CG 3.44Å; I132-R136 PolarHBondContact O-N 2.89Å; S133-R136 WeakPolarHBondContact O-CB 2.96Å; S133-R136 PolarHBondContact O-N 3.41Å; H134-R136 PolarHBondContact O-N 2.87Å; R136-L139 PolarHBondContact O-N 2.85Å; R136-Q140 VanDerWaalsContact O-CG 3.28Å; R136-Q140 WeakPolarHBondContact O-CG 3.47Å; R136-Q140 PolarHBondContact O-N 3.02Å |
| 137 | Q | 86.8 | Confident | 79.8 | Confident | 119 Ų | 119 | 92.6 Ų | 92.6 | 56% | 0.556 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.9 | -45 | 176.7 | -71.6 | 173.5 | -43.7 | 0 | 0 | 111.6 | S133 H134 L139 Q140 E141 | S133-Q137 WeakPolarHBondContact O-CG 3.4Å; S133-Q137 PolarHBondContact O-N 3.12Å; H134-Q137 PolarHBondContact O-N 3.01Å; H134-Q137 VanDerWaalsContact O-N 3.13Å; Q137-L139 VanDerWaalsContact C-N 3.27Å; Q137-L139 PolarHBondContact O-N 2.85Å; Q137-Q140 PolarHBondContact O-N 2.99Å; Q137-E141 WeakPolarHBondContact O-CB 3.39Å; Q137-E141 PolarHBondContact O-N 3.25Å |
| 138 | L | 87.4 | Confident | 78.3 | Confident | 37 Ų | 37 | 94.1 Ų | 94.1 | 19% | 0.194 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -56.5 | -41.1 | 176.5 | -72.4 | 174.7 | 0 | 0 | 0 | 112.3 | H134 L135 Q140 N142 H143 | H134-L138 WeakPolarHBondContact O-CG 3.49Å; H134-L138 PolarHBondContact O-N 3.27Å; L135-L138 HydrophobicContact CD2-CD1 4.37Å; L138-Q140 VanDerWaalsContact C-N 3.32Å; L138-N142 PolarHBondContact O-N 2.86Å; L138-H143 VanDerWaalsContact CD2-O 3.27Å; L138-H143 WeakPolarHBondContact CD2-O 3.43Å |
| 139 | L | 88.4 | Confident | 76.5 | Confident | 150 Ų | 150 | 98.1 Ų | 98.1 | 79% | 0.785 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -71.3 | -25.1 | 177.8 | -69.2 | 173.2 | 0 | 0 | 0 | 113.5 | L135 R136 Q137 | L135-L139 VanDerWaalsContact O-CG 3.26Å; L135-L139 WeakPolarHBondContact O-CG 3.48Å; L135-L139 PolarHBondContact O-N 3.24Å; L135-L139 VanDerWaalsContact O-N 3.14Å; R136-L139 PolarHBondContact O-N 2.85Å; Q137-L139 VanDerWaalsContact C-N 3.27Å; Q137-L139 PolarHBondContact O-N 2.85Å |
| 140 | Q | 84.4 | Confident | 74.7 | Confident | 151 Ų | 151 | 96.2 Ų | 96.2 | 71% | 0.706 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -88.8 | -38.5 | -178.6 | -73.6 | 172.7 | -1.5 | 0 | 0 | 112.5 | R136 Q137 L138 | R136-Q140 VanDerWaalsContact O-CG 3.28Å; R136-Q140 WeakPolarHBondContact O-CG 3.47Å; R136-Q140 PolarHBondContact O-N 3.02Å; Q137-Q140 PolarHBondContact O-N 2.99Å; L138-Q140 VanDerWaalsContact C-N 3.32Å |
| 141 | E | 68.6 | Low | 72.9 | Confident | 139 Ų | 139 | 99.7 Ų | 99.7 | 65% | 0.65 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -99.6 | -9.2 | -167.7 | -67.6 | -80.6 | 150.5 | 0 | 0 | 114.1 | Q137 H143 | Q137-E141 WeakPolarHBondContact O-CB 3.39Å; Q137-E141 PolarHBondContact O-N 3.25Å; E141-H143 HydrophobicContact CB-CB 3.74Å; E141-H143 PolarHBondContact O-N 3.33Å |
| 142 | N | 62.8 | Low | 71.1 | Confident | 156 Ų | 156 | 98.9 Ų | 98.9 | 83% | 0.834 | 51% | 0.512 | S | S | * | . | trans | 49.1 | 10.8 | -162.7 | -74.8 | -68.2 | 0 | 0 | 0 | 113.6 | L138 F144 | L138-N142 PolarHBondContact O-N 2.86Å; N142-F144 PolarHBondContact O-N 3.1Å | ||
| 143 | H | 58.3 | Low | 69 | Low | 118 Ų | 118 | 101.9 Ų | 101.9 | 55% | 0.546 | 53% | 0.528 | S | S | . | . | trans | -93.8 | 92.2 | -171.2 | -157.9 | -102.8 | 0 | 0 | 0 | 108.5 | L138 E141 E145 | L138-H143 VanDerWaalsContact CD2-O 3.27Å; L138-H143 WeakPolarHBondContact CD2-O 3.43Å; E141-H143 HydrophobicContact CB-CB 3.74Å; E141-H143 PolarHBondContact O-N 3.33Å; H143-E145 WeakPolarHBondContact CE1-CG 3.3Å; H143-E145 WeakPolarHBondContact ND1-CG 3.32Å; H143-E145 PolarHBondContact O-N 3.42Å | ||
| 144 | F | 60.6 | Low | 67.2 | Low | 182 Ų | 182 | 105 Ų | 105 | 80% | 0.798 | 54% | 0.539 | S | S | * | . | trans | -72.7 | 57.6 | 172.3 | -120.4 | -85.9 | 0 | 0 | 0 | 110.3 | N142 S146 | N142-F144 PolarHBondContact O-N 3.1Å; F144-S146 PolarHBondContact O-N 3.27Å | ||
| 145 | E | 54.5 | Low | 65.6 | Low | 117 Ų | 117 | 109.3 Ų | 109.3 | 55% | 0.547 | 57% | 0.568 | S | S | . | * | trans | -75.1 | 99.9 | 168.6 | -108.8 | -67.9 | 141.5 | 0 | 0 | 107.7 | H143 S147 | H143-E145 WeakPolarHBondContact CE1-CG 3.3Å; H143-E145 WeakPolarHBondContact ND1-CG 3.32Å; H143-E145 PolarHBondContact O-N 3.42Å; E145-S147 PolarHBondContact O-N 3.46Å | ||
| 146 | S | 53 | Low | 63.2 | Low | 116 Ų | 116 | 113.2 Ų | 113.2 | 81% | 0.811 | 58% | 0.578 | S | S | * | * | trans | -65.4 | 33.9 | 179.1 | -177.1 | 0 | 0 | 0 | 0 | 113.1 | F144 | F144-S146 PolarHBondContact O-N 3.27Š| ||
| 147 | S | 56.9 | Low | 61.4 | Low | 74 Ų | 74 | 109.8 Ų | 109.8 | 52% | 0.517 | 58% | 0.576 | S | S | . | * | trans | -125.3 | 64.2 | 177.3 | -142 | 0 | 0 | 0 | 0 | 108.2 | E145 V149 | E145-S147 PolarHBondContact O-N 3.46Å; S147-V149 PolarHBondContact O-N 3.47Å; S147-V149 WeakPolarHBondContact OG-CG2 3.44Å | ||
| 148 | F | 59.8 | Low | 60 | Low | 42 Ų | 42 | 112.7 Ų | 112.7 | 18% | 0.184 | 59% | 0.587 | C | S | . | * | trans | -68.5 | 77.3 | 162.4 | -177.6 | -109.1 | 0 | 0 | 0 | 108 | S130 H134 H150 | S130-F148 WeakPolarHBondContact OG-CZ 3.35Å; H134-F148 HydrophobicContact CB-CD2 3.54Å; H134-F148 HydrophobicContact CB-CE2 3.45Å; H134-F148 VanDerWaalsContact CB-CE2 3.45Å; H134-F148 AromaticContact CD2-CD2 3.92Å; H134-F148 AromaticContact CE1-CD2 3.86Å; H134-F148 AromaticContact CG-CD2 3.31Å; H134-F148 AromaticContact CG-CE2 3.79Å; H134-F148 AromaticContact ND1-CD2 3.28Å; H134-F148 VanDerWaalsContact ND1-CD2 3.28Å; H134-F148 WeakPolarHBondContact ND1-CD2 3.46Å; H134-F148 AromaticContact ND1-CE2 3.92Å; H134-F148 AromaticContact ND1-CG 3.74Å; F148-H150 AromaticContact CE1-CD2 3.5Å; F148-H150 AromaticContact CE1-NE2 3.42Å; F148-H150 WeakPolarHBondContact CE1-NE2 3.28Å; F148-H150 AromaticContact CZ-NE2 3.75Å; F148-H150 PolarHBondContact O-N 2.81Å | ||
| 149 | V | 56.8 | Low | 58.5 | Low | 97 Ų | 97 | 116.2 Ų | 116.2 | 59% | 0.588 | 61% | 0.61 | S | S | * | * | trans | -76 | 112.7 | 171.4 | -171 | 0 | 0 | 0 | 0 | 106.3 | S147 | S147-V149 PolarHBondContact O-N 3.47Å; S147-V149 WeakPolarHBondContact OG-CG2 3.44Å | ||
| 150 | H | 56.1 | Low | 56.8 | Low | 34 Ų | 34 | 115.3 Ų | 115.3 | 16% | 0.157 | 61% | 0.61 | C | S | . | * | trans | -57.6 | 131 | -175.1 | -138.4 | -57.1 | 0 | 0 | 0 | 109.9 | L127 F148 V152 | L127-H150 WeakPolarHBondContact CD2-CE1 3.43Å; L127-H150 WeakPolarHBondContact CD2-ND1 3.37Å; L127-H150 WeakPolarHBondContact CD2-NE2 3.4Å; F148-H150 AromaticContact CE1-CD2 3.5Å; F148-H150 AromaticContact CE1-NE2 3.42Å; F148-H150 WeakPolarHBondContact CE1-NE2 3.28Å; F148-H150 AromaticContact CZ-NE2 3.75Å; F148-H150 PolarHBondContact O-N 2.81Å; H150-V152 HydrophobicContact CB-CG2 4.3Å; H150-V152 CarbonylContact O-C 3.29Å; H150-V152 VanDerWaalsContact O-C 3.29Å; H150-V152 PolarHBondContact O-N 3.22Å | ||
| 151 | P | 51.7 | Low | 54.9 | Low | 93 Ų | 93 | 110.7 Ų | 110.7 | 60% | 0.604 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -64 | -1 | -178.7 | 24.6 | -37.8 | 0 | 0 | 0 | 114.7 | S130 | S130-P151 WeakPolarHBondContact OG-CD 3.24Å; S130-P151 WeakPolarHBondContact OG-CG 3.5Å |
| 152 | V | 55.5 | Low | 53.4 | Low | 50 Ų | 50 | 113.7 Ų | 113.7 | 30% | 0.303 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -96.6 | 93.6 | 161.3 | -70 | 0 | 0 | 0 | 0 | 106.5 | L127 H150 L154 | L127-V152 HydrophobicContact CD2-CG2 4.39Å; H150-V152 HydrophobicContact CB-CG2 4.3Å; H150-V152 CarbonylContact O-C 3.29Å; H150-V152 VanDerWaalsContact O-C 3.29Å; H150-V152 PolarHBondContact O-N 3.22Å; V152-L154 HydrophobicContact CB-CD1 4.21Å; V152-L154 PolarHBondContact O-N 3.03Å |
| 153 | N | 49.4 | Very low | 52.6 | Low | 145 Ų | 145 | 111.7 Ų | 111.7 | 78% | 0.775 | 61% | 0.607 | S | S | * | * | trans | -64.8 | 57.9 | 167 | -77 | -37.8 | 0 | 0 | 0 | 110.8 | ||||
| 154 | L | 51.6 | Low | 51.7 | Low | 129 Ų | 129 | 112.4 Ų | 112.4 | 68% | 0.675 | 61% | 0.611 | S | S | * | * | trans | -110.5 | 105.7 | 160.8 | -75 | 102.2 | 0 | 0 | 0 | 106.1 | V152 W156 | V152-L154 HydrophobicContact CB-CD1 4.21Å; V152-L154 PolarHBondContact O-N 3.03Å; L154-W156 PolarHBondContact O-N 3.02Å | ||
| 155 | T | 54.9 | Low | 51.1 | Low | 126 Ų | 126 | 111.1 Ų | 111.1 | 77% | 0.773 | 61% | 0.612 | S | S | * | * | trans | -8.5 | 99.1 | 147.9 | 60.8 | 0 | 0 | 0 | 0 | 111.8 | P157 | T155-P157 WeakPolarHBondContact O-CD 3.34Š| ||
| 156 | W | 39.9 | Very low | 50.7 | Low | 149 Ų | 149 | 113.4 Ų | 113.4 | 56% | 0.564 | 63% | 0.628 | S | S | * | * | trans | -63.7 | 116.6 | 152 | -82.5 | 82.4 | 0 | 0 | 0 | 107.2 | L154 | L154-W156 PolarHBondContact O-N 3.02Š| ||
| 157 | P | 52.3 | Low | 50.4 | Low | 82 Ų | 82 | 116 Ų | 116 | 53% | 0.532 | 63% | 0.625 | S | S | . | * | -123.2 | 159.1 | 128.4 | 34.3 | -25.3 | 0 | 0 | 0 | 108.3 | T155 V159 | T155-P157 WeakPolarHBondContact O-CD 3.34Å; P157-V159 VanDerWaalsContact C-N 3.25Å; P157-V159 HydrophobicContact CG-CG2 3.85Å; P157-V159 PolarHBondContact O-N 2.89Å | |||
| 158 | F | 57.3 | Low | 49.9 | Very low | 179 Ų | 179 | 118.4 Ų | 118.4 | 79% | 0.785 | 63% | 0.632 | S | S | * | * | trans | -52.8 | 97.5 | 151.9 | -79 | -100.5 | 0 | 0 | 0 | 108.2 | V160 | F158-V160 HydrophobicContact CB-CG2 4.47Å; F158-V160 PolarHBondContact O-N 3.49Å | ||
| 159 | V | 56.2 | Low | 49.3 | Very low | 111 Ų | 111 | 125.6 Ų | 125.6 | 67% | 0.673 | 67% | 0.668 | S | S | * | * | trans | -86.8 | 71.1 | 157.3 | -171.7 | 0 | 0 | 0 | 0 | 106.8 | P157 G161 | P157-V159 VanDerWaalsContact C-N 3.25Å; P157-V159 HydrophobicContact CG-CG2 3.85Å; P157-V159 PolarHBondContact O-N 2.89Å; V159-G161 PolarHBondContact O-N 2.69Å | ||
| 160 | V | 51.9 | Low | 48.8 | Very low | 131 Ų | 131 | 126.8 Ų | 126.8 | 79% | 0.794 | 68% | 0.681 | S | S | * | * | trans | -53.1 | 112.1 | 142.4 | 167.4 | 0 | 0 | 0 | 0 | 105.6 | F158 | F158-V160 HydrophobicContact CB-CG2 4.47Å; F158-V160 PolarHBondContact O-N 3.49Å | ||
| 161 | G | 43.8 | Very low | 48.5 | Very low | 55 Ų | 55 | 129.9 Ų | 129.9 | 57% | 0.567 | 71% | 0.712 | S | S | * | * | trans | 128.2 | 63.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | V159 | V159-G161 PolarHBondContact O-N 2.69Š| ||
| 162 | R | 37.1 | Very low | 48.3 | Very low | 202 Ų | 202 | 130 Ų | 130 | 76% | 0.762 | 72% | 0.721 | S | S | * | * | trans | -145.8 | 69.2 | 138.4 | -89.5 | -158.4 | 139.3 | 105.8 | -0.5 | 108.6 | E164 | R162-E164 VanDerWaalsContact C-N 3.26Å; R162-E164 HydrophobicContact CG-CG 4.49Å; R162-E164 IonicContact CZ-OE1 3.33Å; R162-E164 IonicContact NE-OE1 3.25Å; R162-E164 PolarHBondContact NE-OE1 2.95Å; R162-E164 IonicContact NE-OE2 2.77Å; R162-E164 IonicContact NH2-OE1 2.89Å; R162-E164 PolarHBondContact NH2-OE1 2.82Å; R162-E164 PolarHBondContact O-N 2.87Å | ||
| 163 | S | 46.7 | Very low | 47.7 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | trans | -68.1 | 98.3 | 142.2 | -64 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 164 | E | 39.9 | Very low | 48 | Very low | 134 Ų | 134 | 132.7 Ų | 132.7 | 63% | 0.626 | 75% | 0.753 | S | S | * | * | trans | -101.7 | 98.5 | 160.3 | -75.3 | -166.3 | 169.7 | 0 | 0 | 106.3 | R162 N166 | R162-E164 VanDerWaalsContact C-N 3.26Å; R162-E164 HydrophobicContact CG-CG 4.49Å; R162-E164 IonicContact CZ-OE1 3.33Å; R162-E164 IonicContact NE-OE1 3.25Å; R162-E164 PolarHBondContact NE-OE1 2.95Å; R162-E164 IonicContact NE-OE2 2.77Å; R162-E164 IonicContact NH2-OE1 2.89Å; R162-E164 PolarHBondContact NH2-OE1 2.82Å; R162-E164 PolarHBondContact O-N 2.87Å; E164-N166 PolarHBondContact O-N 3.49Å | ||
| 165 | D | 47.5 | Very low | 48 | Very low | 154 Ų | 154 | 132.8 Ų | 132.8 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | -51.4 | 102.8 | 160.8 | -64.8 | -68.1 | 0 | 0 | 0 | 108.4 | K167 | D165-K167 PolarHBondContact O-N 2.98Š| ||
| 166 | N | 46 | Very low | 47.5 | Very low | 165 Ų | 165 | 130 Ų | 130 | 88% | 0.882 | 76% | 0.759 | S | S | * | * | trans | -99 | 78.5 | 167 | -147.6 | -45.4 | 0 | 0 | 0 | 107.9 | E164 | E164-N166 PolarHBondContact O-N 3.49Š| ||
| 167 | K | 47.3 | Very low | 48.2 | Very low | 170 Ų | 170 | 129.1 Ų | 129.1 | 74% | 0.739 | 77% | 0.77 | S | S | * | * | trans | -147.4 | 120.1 | 161.5 | -169.3 | 151.4 | 179.4 | 171.5 | 0 | 109.8 | D165 | D165-K167 PolarHBondContact O-N 2.98Š| ||
| 168 | D | 47.2 | Very low | 48 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 67% | 0.668 | 79% | 0.786 | S | S | * | * | trans | 79.1 | 81.2 | 164.2 | -48.7 | -28.2 | 0 | 0 | 0 | 116.9 | ||||
| 169 | M | 47.3 | Very low | 47.7 | Very low | 193 Ų | 193 | 133.1 Ų | 133.1 | 95% | 0.951 | 81% | 0.807 | S | S | * | * | trans | -130.4 | 83.5 | 147.9 | -147.9 | 49.8 | 65.2 | 0 | 0 | 110.4 | ||||
| 170 | S | 44.4 | Very low | 47.3 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -155.4 | 103.9 | 156.5 | -163.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 171 | A | 49.7 | Very low | 47.1 | Very low | 99 Ų | 99 | 134.4 Ų | 134.4 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | 143.4 | 79 | 148.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 172 | A | 47.9 | Very low | 47.2 | Very low | 95 Ų | 95 | 138.8 Ų | 138.8 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | trans | -159 | 67.2 | 154.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | L174 | A172-L174 PolarHBondContact O-N 3.46Š| ||
| 173 | G | 44 | Very low | 47.8 | Very low | 83 Ų | 83 | 135.1 Ų | 135.1 | 86% | 0.856 | 83% | 0.832 | S | S | * | * | trans | -80.7 | 107.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | C175 | G173-C175 PolarHBondContact O-N 3.42Š| ||
| 174 | L | 54.9 | Low | 47.9 | Very low | 169 Ų | 169 | 136.5 Ų | 136.5 | 89% | 0.885 | 84% | 0.835 | S | S | * | * | trans | -60.5 | 119.7 | 178.4 | -62.8 | 157.3 | 0 | 0 | 0 | 110.5 | A172 G176 | A172-L174 PolarHBondContact O-N 3.46Å; L174-G176 PolarHBondContact O-N 3.43Å | ||
| 175 | C | 51.7 | Low | 48.4 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 89% | 0.885 | 85% | 0.849 | S | S | * | * | trans | -77.9 | 111.5 | 163.4 | -179.1 | 0 | 0 | 0 | 0 | 107.6 | G173 | G173-C175 PolarHBondContact O-N 3.42Š| ||
| 176 | G | 45.5 | Very low | 48.5 | Very low | 67 Ų | 67 | 135.4 Ų | 135.4 | 69% | 0.691 | 85% | 0.85 | S | S | * | * | trans | -68.9 | 131.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L174 | L174-G176 PolarHBondContact O-N 3.43Š| ||
| 177 | V | 53.7 | Low | 48.7 | Very low | 132 Ų | 132 | 133.2 Ų | 133.2 | 80% | 0.8 | 85% | 0.848 | S | S | * | * | trans | -87.6 | 125.8 | 161.9 | 66.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 178 | I | 48.4 | Very low | 48.8 | Very low | 172 Ų | 172 | 130.1 Ų | 130.1 | 88% | 0.882 | 86% | 0.857 | S | S | * | * | trans | -129.2 | 115.7 | 159.8 | -49.8 | 176.2 | 0 | 0 | 0 | 104.4 | ||||
| 179 | S | 51.1 | Low | 49 | Very low | 173 Ų | 173 | 130.5 Ų | 130.5 | 100% | 1.21 | 87% | 0.874 | S | S | * | * | trans | -102.4 | 0 | 175.7 | -169.8 | 0 | 0 | 0 | 0 | 110.2 |
Retrieved 179 of 179 residues in 108.8 ms
(Link to these results)