| 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 | 53.2 | Low | 53.3 | Low | 235 Ų | 235 | 158.7 Ų | 158.7 | 100% | 1.158 | 84% | 0.841 | S | S | * | * | 0 | 138.7 | 0 | -67 | 178.7 | 88.7 | 0 | 0 | 109.5 | |||||
| 2 | K | 51.3 | Low | 53.3 | Low | 202 Ų | 202 | 154.3 Ų | 154.3 | 88% | 0.878 | 83% | 0.832 | S | S | * | * | trans | 126.5 | 90.7 | 157.1 | -68.4 | 165.2 | -177.7 | 178.9 | 0 | 112.8 | ||||
| 3 | N | 54.9 | Low | 53.4 | Low | 161 Ų | 161 | 157.3 Ų | 157.3 | 86% | 0.861 | 83% | 0.833 | S | S | * | * | trans | -60.5 | 154.4 | 155 | -70.9 | -13.7 | 0 | 0 | 0 | 110.4 | ||||
| 4 | P | 61.1 | Low | 53.6 | Low | 113 Ų | 113 | 161.2 Ų | 161.2 | 73% | 0.734 | 84% | 0.839 | S | S | * | * | trans | -127.5 | 112.5 | 137.6 | 26.6 | -9.6 | 0 | 0 | 0 | 110.2 | ||||
| 5 | K | 54.2 | Low | 54.3 | Low | 195 Ų | 195 | 155.1 Ų | 155.1 | 85% | 0.848 | 82% | 0.822 | S | S | * | * | 90.2 | 98.9 | 93.1 | -79.4 | -179 | -175.6 | -177.8 | 0 | 111.4 | |||||
| 6 | H | 50.6 | Low | 54.6 | Low | 171 Ų | 171 | 158.4 Ų | 158.4 | 79% | 0.792 | 83% | 0.827 | S | S | * | * | trans | -50.4 | 134 | 158.6 | -69.5 | -77.3 | 0 | 0 | 0 | 110.3 | ||||
| 7 | N | 52.5 | Low | 54.7 | Low | 155 Ų | 155 | 157.8 Ų | 157.8 | 83% | 0.829 | 82% | 0.817 | S | S | * | * | trans | -125.6 | 88.2 | 158.2 | -133.2 | 2.1 | 0 | 0 | 0 | 107.5 | N9 | N7-N9 PolarHBondContact O-N 3.46Š| ||
| 8 | N | 54 | Low | 55.4 | Low | 141 Ų | 141 | 159 Ų | 159 | 75% | 0.754 | 81% | 0.814 | S | S | * | * | trans | -81 | 97.7 | 168.9 | -73.6 | -19.6 | 0 | 0 | 0 | 107.3 | ||||
| 9 | N | 52 | Low | 55.4 | Low | 140 Ų | 140 | 158.1 Ų | 158.1 | 75% | 0.749 | 82% | 0.82 | S | S | * | * | trans | -153.1 | 106.1 | 158.6 | -108.4 | -24.8 | 0 | 0 | 0 | 109.1 | N7 | N7-N9 PolarHBondContact O-N 3.46Š| ||
| 10 | T | 47.7 | Very low | 55.5 | Low | 130 Ų | 130 | 153.9 Ų | 153.9 | 80% | 0.798 | 82% | 0.817 | S | S | * | * | -175.9 | 91.1 | 128.2 | 29.2 | 0 | 0 | 0 | 0 | 107.1 | S12 | T10-S12 PolarHBondContact O-N 3.16Š| |||
| 11 | A | 54.7 | Low | 55.8 | Low | 103 Ų | 103 | 149.7 Ų | 149.7 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | -57.8 | 88.1 | 154.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | K13 | A11-K13 PolarHBondContact O-N 3.25Å; A11-K13 VanDerWaalsContact O-N 3.11Å | ||
| 12 | S | 53.4 | Low | 56.3 | Low | 105 Ų | 105 | 147.7 Ų | 147.7 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -81.4 | 92.6 | 174.1 | 49.8 | 0 | 0 | 0 | 0 | 108.3 | T10 | T10-S12 PolarHBondContact O-N 3.16Š| ||
| 13 | K | 54.9 | Low | 56.9 | Low | 194 Ų | 194 | 146.6 Ų | 146.6 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | 20.6 | 108.8 | 145.9 | -58.6 | 179.6 | -178 | 178.5 | 0 | 114.5 | A11 A15 | A11-K13 PolarHBondContact O-N 3.25Å; A11-K13 VanDerWaalsContact O-N 3.11Å; K13-A15 PolarHBondContact O-N 3.35Å | ||
| 14 | K | 56 | Low | 57.5 | Low | 212 Ų | 212 | 150.1 Ų | 150.1 | 92% | 0.922 | 78% | 0.782 | S | S | * | * | trans | -55.5 | 99.9 | 163.9 | -70.3 | -162.2 | 178.3 | -175.7 | 0 | 109.1 | K16 | K14-K16 PolarHBondContact O-N 3.1Š| ||
| 15 | A | 63.5 | Low | 57.9 | Low | 70 Ų | 70 | 153.5 Ų | 153.5 | 58% | 0.579 | 79% | 0.787 | S | S | * | * | trans | -64.8 | 121.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108 | K13 F17 | K13-A15 PolarHBondContact O-N 3.35Å; A15-F17 WeakPolarHBondContact O-CD2 3.33Å; A15-F17 PolarHBondContact O-N 3.2Å | ||
| 16 | K | 59.9 | Low | 58.8 | Low | 208 Ų | 208 | 151.7 Ų | 151.7 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | trans | -66.4 | 97.1 | 172.9 | -64.4 | -172.3 | -178.5 | -178.9 | 0 | 107.9 | K14 K18 | K14-K16 PolarHBondContact O-N 3.1Å; K16-K18 PolarHBondContact O-N 3.31Å | ||
| 17 | F | 56.3 | Low | 60.1 | Low | 148 Ų | 148 | 152.8 Ų | 152.8 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | trans | -64 | 130.8 | 171.9 | -74.6 | -83.4 | 0 | 0 | 0 | 109 | A15 | A15-F17 WeakPolarHBondContact O-CD2 3.33Å; A15-F17 PolarHBondContact O-N 3.2Å | ||
| 18 | K | 67.6 | Low | 61.2 | Low | 179 Ų | 179 | 151 Ų | 151 | 78% | 0.778 | 79% | 0.788 | S | S | * | * | trans | -62 | 132.2 | 173.9 | -69.1 | -178.8 | 178 | -179.4 | 0 | 108.7 | K16 G20 S21 | K16-K18 PolarHBondContact O-N 3.31Å; K18-G20 PolarHBondContact O-N 3.07Å; K18-S21 PolarHBondContact O-N 3.35Å; K18-S21 VanDerWaalsContact O-N 3.16Å; K18-S21 PolarHBondContact O-OG 3.28Å | ||
| 19 | P | 55.5 | Low | 62.3 | Low | 142 Ų | 142 | 149.4 Ų | 149.4 | 92% | 0.922 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 101 | 177.6 | 28.7 | -32.5 | 0 | 0 | 0 | 108.1 | ||
| 20 | G | 57.4 | Low | 63.7 | Low | 74 Ų | 74 | 147.9 Ų | 147.9 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 145.5 | -23.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K18 K22 | K18-G20 PolarHBondContact O-N 3.07Å; G20-K22 PolarHBondContact O-N 3.22Å |
| 21 | S | 60.7 | Low | 65.4 | Low | 66 Ų | 66 | 148.8 Ų | 148.8 | 46% | 0.462 | 78% | 0.776 | S | S | . | * | trans | -85.5 | 56.8 | 171.2 | 71.6 | 0 | 0 | 0 | 0 | 110.8 | K18 K23 | K18-S21 PolarHBondContact O-N 3.35Å; K18-S21 VanDerWaalsContact O-N 3.16Å; K18-S21 PolarHBondContact O-OG 3.28Å; S21-K23 PolarHBondContact O-N 3.01Å; S21-K23 VanDerWaalsContact O-N 3.1Å | ||
| 22 | K | 64.5 | Low | 67 | Low | 192 Ų | 192 | 151.3 Ų | 151.3 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | trans | -59.4 | 118.2 | 161 | -71 | -175.3 | -179.4 | 179.8 | 0 | 105.2 | G20 R24 | G20-K22 PolarHBondContact O-N 3.22Å; K22-R24 VanDerWaalsContact C-N 3.32Å; K22-R24 PolarHBondContact O-N 3.29Å | ||
| 23 | K | 64.2 | Low | 68.8 | Low | 180 Ų | 180 | 152 Ų | 152 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | -53.4 | 102.4 | 173 | -68.3 | -178.5 | -179.4 | -177.6 | 0 | 105.7 | S21 E25 | S21-K23 PolarHBondContact O-N 3.01Å; S21-K23 VanDerWaalsContact O-N 3.1Å; K23-E25 PolarHBondContact O-N 3.22Å | ||
| 24 | R | 66.1 | Low | 70.5 | Confident | 235 Ų | 235 | 148.2 Ų | 148.2 | 89% | 0.887 | 75% | 0.752 | S | S | * | * | trans | -58.4 | 111.3 | 171 | -69.5 | -175.9 | 177.5 | -169.1 | -1.5 | 103.7 | K22 N26 | K22-R24 VanDerWaalsContact C-N 3.32Å; K22-R24 PolarHBondContact O-N 3.29Å; R24-N26 PolarHBondContact O-N 3.19Å; R24-N26 VanDerWaalsContact O-N 3.12Å | ||
| 25 | E | 70.9 | Confident | 72.2 | Confident | 183 Ų | 183 | 146 Ų | 146 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 126.4 | 179 | -68.1 | 175.8 | 178.5 | 0 | 0 | 107 | K23 K27 | K23-E25 PolarHBondContact O-N 3.22Å; E25-K27 PolarHBondContact O-N 3.06Å |
| 26 | N | 73.4 | Confident | 73.5 | Confident | 158 Ų | 158 | 147.8 Ų | 147.8 | 85% | 0.845 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 133.7 | -176.2 | -64.4 | -37.7 | 0 | 0 | 0 | 107.8 | R24 C28 | R24-N26 PolarHBondContact O-N 3.19Å; R24-N26 VanDerWaalsContact O-N 3.12Å; N26-C28 PolarHBondContact O-N 2.95Å; N26-C28 VanDerWaalsContact O-N 3.17Å |
| 27 | K | 76.8 | Confident | 75 | Confident | 193 Ų | 193 | 144.3 Ų | 144.3 | 84% | 0.839 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 126.3 | 178.9 | -62.7 | 176.5 | -178.4 | 178.5 | 0 | 108.7 | E25 V29 | E25-K27 PolarHBondContact O-N 3.06Å; K27-V29 PolarHBondContact O-N 3.48Å |
| 28 | C | 75.8 | Confident | 76.7 | Confident | 117 Ų | 117 | 143.4 Ų | 143.4 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | trans | -67.2 | 103.8 | 174 | -175.7 | 0 | 0 | 0 | 0 | 108 | N26 V30 | N26-C28 PolarHBondContact O-N 2.95Å; N26-C28 VanDerWaalsContact O-N 3.17Å; C28-V30 PolarHBondContact O-N 3.28Å | ||
| 29 | V | 77 | Confident | 77.8 | Confident | 109 Ų | 109 | 138.5 Ų | 138.5 | 66% | 0.661 | 70% | 0.704 | S | S | * | * | trans | -84.4 | 104.3 | 175.1 | -174.2 | 0 | 0 | 0 | 0 | 107.1 | K27 M31 | K27-V29 PolarHBondContact O-N 3.48Å; V29-M31 HydrophobicContact CG1-CG 3.79Å; V29-M31 HydrophobicContact CG1-SD 3.71Å; V29-M31 PolarHBondContact O-N 3.07Å; V29-M31 VanDerWaalsContact O-N 3.13Å | ||
| 30 | V | 82.1 | Confident | 79.5 | Confident | 108 Ų | 108 | 139 Ų | 139 | 66% | 0.655 | 69% | 0.688 | S | S | * | * | trans | -78.5 | 95 | 172.5 | -178.4 | 0 | 0 | 0 | 0 | 107.5 | C28 | C28-V30 PolarHBondContact O-N 3.28Š| ||
| 31 | M | 82.9 | Confident | 81.2 | Confident | 148 Ų | 148 | 139.5 Ų | 139.5 | 73% | 0.729 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 136.1 | 167.8 | -66.7 | -49.9 | -47.4 | 0 | 0 | 109.3 | V29 | V29-M31 HydrophobicContact CG1-CG 3.79Å; V29-M31 HydrophobicContact CG1-SD 3.71Å; V29-M31 PolarHBondContact O-N 3.07Å; V29-M31 VanDerWaalsContact O-N 3.13Å |
| 32 | F | 87.4 | Confident | 82.8 | Confident | 156 Ų | 156 | 141.4 Ų | 141.4 | 68% | 0.684 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 138.1 | 168.5 | -64.1 | -75.5 | 0 | 0 | 0 | 109 | D34 | F32-D34 PolarHBondContact O-N 3.14Š|
| 33 | D | 92.4 | Very high | 84.2 | Confident | 120 Ų | 120 | 132.5 Ų | 132.5 | 64% | 0.642 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 124.1 | 165.5 | -93 | -30.6 | 0 | 0 | 0 | 109.2 | K35 D36 R37 | D33-K35 PolarHBondContact O-N 3.33Å; D33-D36 HydrophobicContact CB-CB 4.29Å; D33-D36 PolarHBondContact O-N 3.13Å; D33-R37 WeakPolarHBondContact O-CB 3.35Å; D33-R37 PolarHBondContact O-N 3.17Å |
| 34 | D | 90.9 | Very high | 85.6 | Confident | 114 Ų | 114 | 129.5 Ų | 129.5 | 61% | 0.61 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -61.9 | -28 | -175.6 | -77.2 | -39 | 0 | 0 | 0 | 112.7 | F32 Q38 | F32-D34 PolarHBondContact O-N 3.14Å; D34-Q38 WeakPolarHBondContact O-CB 3.42Å; D34-Q38 VanDerWaalsContact O-CG 3.3Å; D34-Q38 WeakPolarHBondContact O-CG 3.26Å; D34-Q38 PolarHBondContact O-N 3.07Å |
| 35 | K | 90.9 | Very high | 87 | Confident | 166 Ų | 166 | 124.4 Ų | 124.4 | 72% | 0.722 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.1 | -50.3 | 175.9 | -65.3 | 176.8 | -176.6 | 171.8 | 0 | 111.2 | D33 R37 Q38 D39 | D33-K35 PolarHBondContact O-N 3.33Å; K35-R37 VanDerWaalsContact C-N 3.25Å; K35-R37 PolarHBondContact O-N 3.45Å; K35-Q38 WeakPolarHBondContact O-CB 3.26Å; K35-Q38 PolarHBondContact O-N 3.26Å; K35-Q38 VanDerWaalsContact O-N 3.08Å; K35-D39 PolarHBondContact O-N 3.34Å |
| 36 | D | 91.1 | Very high | 88.2 | Confident | 108 Ų | 108 | 121.1 Ų | 121.1 | 58% | 0.578 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.4 | -36.3 | 176.4 | -72.1 | -4.6 | 0 | 0 | 0 | 111 | D33 D39 Y40 | D33-D36 HydrophobicContact CB-CB 4.29Å; D33-D36 PolarHBondContact O-N 3.13Å; D36-D39 PolarHBondContact O-N 3.1Å; D36-Y40 WeakPolarHBondContact O-CB 3.48Å; D36-Y40 PolarHBondContact O-N 3.33Å |
| 37 | R | 90.8 | Very high | 89.2 | Confident | 135 Ų | 135 | 116.2 Ų | 116.2 | 51% | 0.509 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.4 | -43.9 | 172.3 | -176.3 | 176.9 | 176.1 | -82.9 | -2.4 | 111.7 | D33 K35 Y40 L41 | D33-R37 WeakPolarHBondContact O-CB 3.35Å; D33-R37 PolarHBondContact O-N 3.17Å; K35-R37 VanDerWaalsContact C-N 3.25Å; K35-R37 PolarHBondContact O-N 3.45Å; R37-Y40 PolarHBondContact O-N 2.74Å; R37-L41 HydrophobicContact CG-CD1 4.07Å; R37-L41 WeakPolarHBondContact O-CB 3.38Å; R37-L41 VanDerWaalsContact O-CG 3.26Å; R37-L41 WeakPolarHBondContact O-CG 3.36Å; R37-L41 PolarHBondContact O-N 3.41Å |
| 38 | Q | 91.6 | Very high | 90.1 | Very high | 128 Ų | 128 | 111.9 Ų | 111.9 | 60% | 0.598 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.5 | -43.8 | 176.5 | -79 | -177.1 | 5.6 | 0 | 0 | 112.1 | D34 K35 Y40 L41 T42 | D34-Q38 WeakPolarHBondContact O-CB 3.42Å; D34-Q38 VanDerWaalsContact O-CG 3.3Å; D34-Q38 WeakPolarHBondContact O-CG 3.26Å; D34-Q38 PolarHBondContact O-N 3.07Å; K35-Q38 WeakPolarHBondContact O-CB 3.26Å; K35-Q38 PolarHBondContact O-N 3.26Å; K35-Q38 VanDerWaalsContact O-N 3.08Å; Q38-Y40 VanDerWaalsContact C-N 3.31Å; Q38-Y40 PolarHBondContact O-N 2.99Å; Q38-L41 PolarHBondContact O-N 3.39Å; Q38-T42 WeakPolarHBondContact O-CB 3.45Å; Q38-T42 WeakPolarHBondContact O-CG2 3.42Å; Q38-T42 PolarHBondContact O-N 3.04Å; Q38-T42 PolarHBondContact O-OG1 3.34Å |
| 39 | D | 91.9 | Very high | 91.1 | Very high | 77 Ų | 77 | 109 Ų | 109 | 41% | 0.412 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.1 | -36.2 | 175 | -98.7 | -40.8 | 0 | 0 | 0 | 111.6 | K35 D36 G43 K46 | K35-D39 PolarHBondContact O-N 3.34Å; D36-D39 PolarHBondContact O-N 3.1Å; D39-G43 WeakPolarHBondContact O-CA 3.4Å; D39-G43 PolarHBondContact O-N 3.48Å; D39-K46 IonicContact OD1-NZ 2.65Å; D39-K46 PolarHBondContact OD1-NZ 3.21Å |
| 40 | Y | 90.5 | Very high | 92 | Very high | 153 Ų | 153 | 109.1 Ų | 109.1 | 60% | 0.6 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.9 | -46.8 | 172.6 | -177.5 | -97.7 | 0 | 0 | 0 | 111 | D36 R37 Q38 R47 | D36-Y40 WeakPolarHBondContact O-CB 3.48Å; D36-Y40 PolarHBondContact O-N 3.33Å; R37-Y40 PolarHBondContact O-N 2.74Å; Q38-Y40 VanDerWaalsContact C-N 3.31Å; Q38-Y40 PolarHBondContact O-N 2.99Å; Y40-R47 PolarHBondContact O-NH1 2.76Å; Y40-R47 PolarHBondContact O-NH2 3.22Å |
| 41 | L | 94.1 | Very high | 92.7 | Very high | 83 Ų | 83 | 111.6 Ų | 111.6 | 44% | 0.435 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.2 | -33.1 | -178.3 | -71 | 173 | 0 | 0 | 0 | 113.7 | R37 Q38 F44 | R37-L41 HydrophobicContact CG-CD1 4.07Å; R37-L41 WeakPolarHBondContact O-CB 3.38Å; R37-L41 VanDerWaalsContact O-CG 3.26Å; R37-L41 WeakPolarHBondContact O-CG 3.36Å; R37-L41 PolarHBondContact O-N 3.41Å; Q38-L41 PolarHBondContact O-N 3.39Å; L41-F44 WeakPolarHBondContact O-CD2 3.36Å; L41-F44 WeakPolarHBondContact O-CE2 3.47Å |
| 42 | T | 93.2 | Very high | 93.3 | Very high | 107 Ų | 107 | 112.1 Ų | 112.1 | 66% | 0.656 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -99.5 | -24.4 | -177 | 62.1 | 0 | 0 | 0 | 0 | 112.9 | Q38 F44 | Q38-T42 WeakPolarHBondContact O-CB 3.45Å; Q38-T42 WeakPolarHBondContact O-CG2 3.42Å; Q38-T42 PolarHBondContact O-N 3.04Å; Q38-T42 PolarHBondContact O-OG1 3.34Å; T42-F44 PolarHBondContact O-N 3.12Å |
| 43 | G | 94.3 | Very high | 93.8 | Very high | 4 Ų | 4 | 110.6 Ų | 110.6 | 4% | 0.041 | 51% | 0.505 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 20.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | D39 H45 K46 R47 | D39-G43 WeakPolarHBondContact O-CA 3.4Å; D39-G43 PolarHBondContact O-N 3.48Å; G43-H45 PolarHBondContact O-N 3.09Å; G43-K46 WeakPolarHBondContact O-CB 3.49Å; G43-K46 PolarHBondContact O-N 3.36Å; G43-K46 VanDerWaalsContact O-N 3.09Å; G43-R47 PolarHBondContact O-N 3.48Å |
| 44 | F | 94.6 | Very high | 94 | Very high | 118 Ų | 118 | 107.4 Ų | 107.4 | 52% | 0.518 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.3 | -35.8 | 177.2 | -74.6 | -79.5 | 0 | 0 | 0 | 112.9 | L41 T42 K48 | L41-F44 WeakPolarHBondContact O-CD2 3.36Å; L41-F44 WeakPolarHBondContact O-CE2 3.47Å; T42-F44 PolarHBondContact O-N 3.12Å; F44-K48 VanDerWaalsContact O-CB 3.29Å; F44-K48 WeakPolarHBondContact O-CB 2.92Å; F44-K48 PolarHBondContact O-N 3.47Å |
| 45 | H | 94.8 | Very high | 94.3 | Very high | 127 Ų | 127 | 104.2 Ų | 104.2 | 59% | 0.588 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.5 | -43.1 | 175.8 | -167.3 | 73.3 | 0 | 0 | 0 | 111.6 | G43 K48 I49 | G43-H45 PolarHBondContact O-N 3.09Å; H45-K48 PolarHBondContact O-N 3.03Å; H45-I49 VanDerWaalsContact CD2-CD1 3.47Å; H45-I49 WeakPolarHBondContact CD2-CD1 3.44Å; H45-I49 VanDerWaalsContact NE2-CD1 3.3Å; H45-I49 WeakPolarHBondContact NE2-CD1 3.3Å; H45-I49 WeakPolarHBondContact O-CG1 3.5Å; H45-I49 PolarHBondContact O-N 3.13Å |
| 46 | K | 94.8 | Very high | 94.6 | Very high | 115 Ų | 115 | 99.9 Ų | 99.9 | 50% | 0.5 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -56.1 | -54.2 | 174.2 | -59.5 | 178.9 | -179.5 | 174.1 | 0 | 110.3 | D39 G43 K48 I49 E50 | D39-K46 IonicContact OD1-NZ 2.65Å; D39-K46 PolarHBondContact OD1-NZ 3.21Å; G43-K46 WeakPolarHBondContact O-CB 3.49Å; G43-K46 PolarHBondContact O-N 3.36Å; G43-K46 VanDerWaalsContact O-N 3.09Å; K46-K48 VanDerWaalsContact C-N 3.29Å; K46-K48 PolarHBondContact O-N 3.09Å; K46-I49 WeakPolarHBondContact O-CB 3.04Å; K46-I49 PolarHBondContact O-N 2.83Å; K46-E50 WeakPolarHBondContact O-CG 3.34Å; K46-E50 PolarHBondContact O-N 2.92Å |
| 47 | R | 94.5 | Very high | 94.8 | Very high | 54 Ų | 54 | 99.9 Ų | 99.9 | 20% | 0.204 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -60.7 | -33 | 177.3 | -69.4 | -167.9 | -64.2 | -81.1 | 5.3 | 114.2 | Y40 G43 E50 R51 | Y40-R47 PolarHBondContact O-NH1 2.76Å; Y40-R47 PolarHBondContact O-NH2 3.22Å; G43-R47 PolarHBondContact O-N 3.48Å; R47-E50 WeakPolarHBondContact CA-OE2 3.13Å; R47-R51 WeakPolarHBondContact O-CB 3.13Å; R47-R51 WeakPolarHBondContact O-CG 3.27Å; R47-R51 PolarHBondContact O-N 2.88Å; R47-R51 VanDerWaalsContact O-N 3.09Å; R47-R51 PolarHBondContact O-NE 3.45Å |
| 48 | K | 97.2 | Very high | 95.1 | Very high | 103 Ų | 103 | 98.4 Ų | 98.4 | 45% | 0.448 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -70.5 | -40.1 | 176.7 | -177 | 178.6 | -68.1 | 177.4 | 0 | 110.7 | F44 H45 K46 R52 | F44-K48 VanDerWaalsContact O-CB 3.29Å; F44-K48 WeakPolarHBondContact O-CB 2.92Å; F44-K48 PolarHBondContact O-N 3.47Å; H45-K48 PolarHBondContact O-N 3.03Å; K46-K48 VanDerWaalsContact C-N 3.29Å; K46-K48 PolarHBondContact O-N 3.09Å; K48-R52 VanDerWaalsContact O-CG 3.27Å; K48-R52 WeakPolarHBondContact O-CG 3.3Å; K48-R52 PolarHBondContact O-N 3.33Å |
| 49 | I | 95.9 | Very high | 95.3 | Very high | 56 Ų | 56 | 97.1 Ų | 97.1 | 29% | 0.287 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.2 | -46.4 | 174.9 | -70.8 | 170.6 | 0 | 0 | 0 | 110.2 | H45 K46 R51 R52 K53 | H45-I49 VanDerWaalsContact CD2-CD1 3.47Å; H45-I49 WeakPolarHBondContact CD2-CD1 3.44Å; H45-I49 VanDerWaalsContact NE2-CD1 3.3Å; H45-I49 WeakPolarHBondContact NE2-CD1 3.3Å; H45-I49 WeakPolarHBondContact O-CG1 3.5Å; H45-I49 PolarHBondContact O-N 3.13Å; K46-I49 WeakPolarHBondContact O-CB 3.04Å; K46-I49 PolarHBondContact O-N 2.83Å; I49-R51 PolarHBondContact O-N 3.25Å; I49-R52 CarbonylContact O-C 3.38Å; I49-R52 WeakPolarHBondContact O-CB 3.29Å; I49-R52 PolarHBondContact O-N 2.99Å; I49-R52 VanDerWaalsContact O-N 3.08Å; I49-K53 HydrophobicContact CG2-CD 3.88Å; I49-K53 HydrophobicContact CG2-CG 4.1Å; I49-K53 WeakPolarHBondContact O-CG 2.99Å; I49-K53 PolarHBondContact O-N 3.02Å |
| 50 | E | 95.1 | Very high | 95.5 | Very high | 111 Ų | 111 | 99.5 Ų | 99.5 | 52% | 0.519 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -55.7 | -50.1 | 178 | -74.3 | 159.9 | -162.2 | 0 | 0 | 111.7 | K46 R47 R52 K53 A54 | K46-E50 WeakPolarHBondContact O-CG 3.34Å; K46-E50 PolarHBondContact O-N 2.92Å; R47-E50 WeakPolarHBondContact CA-OE2 3.13Å; E50-R52 VanDerWaalsContact C-N 3.28Å; E50-R52 PolarHBondContact O-N 2.88Å; E50-K53 PolarHBondContact O-N 3.02Å; E50-K53 VanDerWaalsContact O-N 3.13Å; E50-A54 WeakPolarHBondContact O-CB 3.47Å; E50-A54 PolarHBondContact O-N 3.03Å |
| 51 | R | 97.5 | Very high | 95.9 | Very high | 160 Ų | 160 | 98.5 Ų | 98.5 | 60% | 0.604 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -58.4 | -39.5 | 175.6 | -77.1 | 178.6 | -79.8 | 163.6 | -13.2 | 112.8 | R47 I49 A55 | R47-R51 WeakPolarHBondContact O-CB 3.13Å; R47-R51 WeakPolarHBondContact O-CG 3.27Å; R47-R51 PolarHBondContact O-N 2.88Å; R47-R51 VanDerWaalsContact O-N 3.09Å; R47-R51 PolarHBondContact O-NE 3.45Å; I49-R51 PolarHBondContact O-N 3.25Å; R51-A55 WeakPolarHBondContact O-CB 3.25Å; R51-A55 PolarHBondContact O-N 3.22Å; R51-A55 VanDerWaalsContact O-N 3.08Å |
| 52 | R | 96.5 | Very high | 96 | Very high | 160 Ų | 160 | 99.8 Ų | 99.8 | 60% | 0.604 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -67.2 | -41.9 | 176.1 | -73.5 | 171.7 | 179.4 | 179.5 | -1.3 | 111.8 | K48 I49 E50 V56 | K48-R52 VanDerWaalsContact O-CG 3.27Å; K48-R52 WeakPolarHBondContact O-CG 3.3Å; K48-R52 PolarHBondContact O-N 3.33Å; I49-R52 CarbonylContact O-C 3.38Å; I49-R52 WeakPolarHBondContact O-CB 3.29Å; I49-R52 PolarHBondContact O-N 2.99Å; I49-R52 VanDerWaalsContact O-N 3.08Å; E50-R52 VanDerWaalsContact C-N 3.28Å; E50-R52 PolarHBondContact O-N 2.88Å; R52-V56 VanDerWaalsContact O-CG2 3.26Å; R52-V56 WeakPolarHBondContact O-CG2 3.43Å; R52-V56 PolarHBondContact O-N 3.16Å |
| 53 | K | 97.4 | Very high | 96.1 | Very high | 123 Ų | 123 | 99 Ų | 99 | 54% | 0.535 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.6 | -48.2 | 177.1 | -74.1 | -179.2 | 174.9 | -176.5 | 0 | 110.6 | I49 E50 A55 V56 E57 | I49-K53 HydrophobicContact CG2-CD 3.88Å; I49-K53 HydrophobicContact CG2-CG 4.1Å; I49-K53 WeakPolarHBondContact O-CG 2.99Å; I49-K53 PolarHBondContact O-N 3.02Å; E50-K53 PolarHBondContact O-N 3.02Å; E50-K53 VanDerWaalsContact O-N 3.13Å; K53-A55 PolarHBondContact O-N 3.25Å; K53-V56 PolarHBondContact O-N 3.03Å; K53-V56 VanDerWaalsContact O-N 3.08Å; K53-E57 WeakPolarHBondContact O-CB 3.46Å; K53-E57 WeakPolarHBondContact O-CG 3.45Å; K53-E57 PolarHBondContact O-N 3.49Å |
| 54 | A | 96.8 | Very high | 96.3 | Very high | 54 Ų | 54 | 106 Ų | 106 | 45% | 0.446 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -56.6 | -47.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | E50 V56 E57 E58 | E50-A54 WeakPolarHBondContact O-CB 3.47Å; E50-A54 PolarHBondContact O-N 3.03Å; A54-V56 VanDerWaalsContact C-N 3.33Å; A54-V56 PolarHBondContact O-N 3.07Å; A54-E57 PolarHBondContact O-N 2.83Å; A54-E58 WeakPolarHBondContact O-CB 3.49Å; A54-E58 PolarHBondContact O-N 3.21Å |
| 55 | A | 95.9 | Very high | 96.3 | Very high | 47 Ų | 47 | 105.3 Ų | 105.3 | 39% | 0.388 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R51 K53 I59 | R51-A55 WeakPolarHBondContact O-CB 3.25Å; R51-A55 PolarHBondContact O-N 3.22Å; R51-A55 VanDerWaalsContact O-N 3.08Å; K53-A55 PolarHBondContact O-N 3.25Å; A55-I59 WeakPolarHBondContact O-CD1 3.41Å; A55-I59 VanDerWaalsContact O-CG1 3.25Å; A55-I59 WeakPolarHBondContact O-CG1 3.26Å; A55-I59 PolarHBondContact O-N 3.43Å; A55-I59 VanDerWaalsContact O-N 3.12Å |
| 56 | V | 97.3 | Very high | 96.4 | Very high | 74 Ų | 74 | 104.5 Ų | 104.5 | 45% | 0.448 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.8 | -40.6 | 176.2 | 168.6 | 0 | 0 | 0 | 0 | 111.4 | R52 K53 A54 I59 K60 | R52-V56 VanDerWaalsContact O-CG2 3.26Å; R52-V56 WeakPolarHBondContact O-CG2 3.43Å; R52-V56 PolarHBondContact O-N 3.16Å; K53-V56 PolarHBondContact O-N 3.03Å; K53-V56 VanDerWaalsContact O-N 3.08Å; A54-V56 VanDerWaalsContact C-N 3.33Å; A54-V56 PolarHBondContact O-N 3.07Å; V56-I59 PolarHBondContact O-N 3.24Å; V56-K60 HydrophobicContact CG1-CD 4.16Å; V56-K60 WeakPolarHBondContact O-CB 3.11Å; V56-K60 VanDerWaalsContact O-CG 3.29Å; V56-K60 WeakPolarHBondContact O-CG 3.43Å; V56-K60 PolarHBondContact O-N 3.06Å |
| 57 | E | 97.1 | Very high | 96.4 | Very high | 108 Ų | 108 | 103.5 Ų | 103.5 | 51% | 0.505 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.6 | -41.3 | 177.6 | -74.4 | 169.8 | -162.2 | 0 | 0 | 111.8 | K53 A54 I59 K60 K61 | K53-E57 WeakPolarHBondContact O-CB 3.46Å; K53-E57 WeakPolarHBondContact O-CG 3.45Å; K53-E57 PolarHBondContact O-N 3.49Å; A54-E57 PolarHBondContact O-N 2.83Å; E57-I59 PolarHBondContact O-N 3.2Å; E57-K60 PolarHBondContact O-N 3.1Å; E57-K61 WeakPolarHBondContact O-CG 3.37Å; E57-K61 PolarHBondContact O-N 2.97Å |
| 58 | E | 96.6 | Very high | 96.4 | Very high | 105 Ų | 105 | 103.4 Ų | 103.4 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 174.3 | -167.9 | -168.3 | 154.8 | 0 | 0 | 111.5 | A54 K60 K61 K62 | A54-E58 WeakPolarHBondContact O-CB 3.49Å; A54-E58 PolarHBondContact O-N 3.21Å; E58-K60 VanDerWaalsContact C-N 3.34Å; E58-K60 PolarHBondContact O-N 2.87Å; E58-K61 PolarHBondContact O-N 3.17Å; E58-K62 WeakPolarHBondContact O-CG 3.41Å; E58-K62 PolarHBondContact O-N 2.72Å; E58-K62 WeakPolarHBondContact OE1-CE 3.5Å; E58-K62 IonicContact OE1-NZ 2.69Å; E58-K62 PolarHBondContact OE1-NZ 2.97Å |
| 59 | I | 95.6 | Very high | 96.3 | Very high | 101 Ų | 101 | 105.2 Ų | 105.2 | 52% | 0.518 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 175.5 | -68.3 | 165.7 | 0 | 0 | 0 | 110.9 | A55 V56 E57 K61 K62 I63 | A55-I59 WeakPolarHBondContact O-CD1 3.41Å; A55-I59 VanDerWaalsContact O-CG1 3.25Å; A55-I59 WeakPolarHBondContact O-CG1 3.26Å; A55-I59 PolarHBondContact O-N 3.43Å; A55-I59 VanDerWaalsContact O-N 3.12Å; V56-I59 PolarHBondContact O-N 3.24Å; E57-I59 PolarHBondContact O-N 3.2Å; I59-K61 VanDerWaalsContact C-N 3.35Å; I59-K61 PolarHBondContact O-N 2.64Å; I59-K62 PolarHBondContact O-N 2.98Å; I59-I63 HydrophobicContact CG2-CD1 3.9Å; I59-I63 WeakPolarHBondContact O-CG1 3.38Å; I59-I63 PolarHBondContact O-N 3.24Å |
| 60 | K | 96.8 | Very high | 96.2 | Very high | 126 Ų | 126 | 106.1 Ų | 106.1 | 55% | 0.548 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 177.4 | -76.3 | 175 | 178.5 | -176.8 | 0 | 112.2 | V56 E57 E58 I63 K64 | V56-K60 HydrophobicContact CG1-CD 4.16Å; V56-K60 WeakPolarHBondContact O-CB 3.11Å; V56-K60 VanDerWaalsContact O-CG 3.29Å; V56-K60 WeakPolarHBondContact O-CG 3.43Å; V56-K60 PolarHBondContact O-N 3.06Å; E57-K60 PolarHBondContact O-N 3.1Å; E58-K60 VanDerWaalsContact C-N 3.34Å; E58-K60 PolarHBondContact O-N 2.87Å; K60-I63 PolarHBondContact O-N 3.23Å; K60-K64 WeakPolarHBondContact O-CG 3.26Å; K60-K64 PolarHBondContact O-N 2.81Å |
| 61 | K | 97.1 | Very high | 96.2 | Very high | 132 Ų | 132 | 108.5 Ų | 108.5 | 57% | 0.574 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.4 | -49.9 | 176.3 | -75.8 | 179.8 | 179.4 | -174 | 0 | 110.9 | E57 E58 I59 I63 K64 E65 | E57-K61 WeakPolarHBondContact O-CG 3.37Å; E57-K61 PolarHBondContact O-N 2.97Å; E58-K61 PolarHBondContact O-N 3.17Å; I59-K61 VanDerWaalsContact C-N 3.35Å; I59-K61 PolarHBondContact O-N 2.64Å; K61-I63 VanDerWaalsContact C-N 3.31Å; K61-I63 PolarHBondContact O-N 3.11Å; K61-K64 PolarHBondContact O-N 2.69Å; K61-E65 WeakPolarHBondContact O-CG 3.39Å; K61-E65 PolarHBondContact O-N 2.84Å |
| 62 | K | 97 | Very high | 96 | Very high | 111 Ų | 111 | 105.1 Ų | 105.1 | 48% | 0.483 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -56.7 | -43.2 | 176.5 | -69.1 | 178 | -175.1 | 172.5 | 0 | 112.4 | E58 I59 K64 E65 E66 | E58-K62 WeakPolarHBondContact O-CG 3.41Å; E58-K62 PolarHBondContact O-N 2.72Å; E58-K62 WeakPolarHBondContact OE1-CE 3.5Å; E58-K62 IonicContact OE1-NZ 2.69Å; E58-K62 PolarHBondContact OE1-NZ 2.97Å; I59-K62 PolarHBondContact O-N 2.98Å; K62-K64 PolarHBondContact O-N 3.34Å; K62-E65 PolarHBondContact O-N 3.33Å; K62-E66 VanDerWaalsContact O-CG 3.32Å; K62-E66 WeakPolarHBondContact O-CG 3.44Å; K62-E66 PolarHBondContact O-N 3.15Å |
| 63 | I | 96.1 | Very high | 95.9 | Very high | 90 Ų | 90 | 102.8 Ų | 102.8 | 46% | 0.462 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 176.8 | -67.5 | 166.2 | 0 | 0 | 0 | 111.5 | I59 K60 K61 Q67 | I59-I63 HydrophobicContact CG2-CD1 3.9Å; I59-I63 WeakPolarHBondContact O-CG1 3.38Å; I59-I63 PolarHBondContact O-N 3.24Å; K60-I63 PolarHBondContact O-N 3.23Å; K61-I63 VanDerWaalsContact C-N 3.31Å; K61-I63 PolarHBondContact O-N 3.11Å; I63-Q67 VanDerWaalsContact O-CG 3.3Å; I63-Q67 WeakPolarHBondContact O-CG 3.42Å; I63-Q67 PolarHBondContact O-N 3.12Å |
| 64 | K | 97.3 | Very high | 95.7 | Very high | 150 Ų | 150 | 105.2 Ų | 105.2 | 65% | 0.652 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.4 | -41.7 | 178.6 | -75.9 | -177.7 | 174.5 | -168.5 | 0 | 112.1 | K60 K61 K62 Q67 S68 | K60-K64 WeakPolarHBondContact O-CG 3.26Å; K60-K64 PolarHBondContact O-N 2.81Å; K61-K64 PolarHBondContact O-N 2.69Å; K62-K64 PolarHBondContact O-N 3.34Å; K64-Q67 PolarHBondContact O-N 3.44Å; K64-S68 PolarHBondContact O-N 2.72Å |
| 65 | E | 96 | Very high | 95.6 | Very high | 104 Ų | 104 | 108.3 Ų | 108.3 | 49% | 0.486 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.5 | -47 | 177.3 | -73.4 | 163.2 | -160.7 | 0 | 0 | 111.1 | K61 K62 Q67 S68 R69 | K61-E65 WeakPolarHBondContact O-CG 3.39Å; K61-E65 PolarHBondContact O-N 2.84Å; K62-E65 PolarHBondContact O-N 3.33Å; E65-Q67 VanDerWaalsContact C-N 3.33Å; E65-Q67 PolarHBondContact O-N 3.08Å; E65-S68 PolarHBondContact O-N 3.39Å; E65-S68 VanDerWaalsContact O-N 3.17Å; E65-R69 WeakPolarHBondContact O-CG 3.33Å; E65-R69 PolarHBondContact O-N 2.8Å |
| 66 | E | 95 | Very high | 95.5 | Very high | 110 Ų | 110 | 112.4 Ų | 112.4 | 51% | 0.514 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.9 | -41.4 | 174.8 | -69.7 | -62 | 151.7 | 0 | 0 | 111.9 | K62 S68 R69 V70 | K62-E66 VanDerWaalsContact O-CG 3.32Å; K62-E66 WeakPolarHBondContact O-CG 3.44Å; K62-E66 PolarHBondContact O-N 3.15Å; E66-S68 VanDerWaalsContact C-N 3.34Å; E66-S68 PolarHBondContact O-N 3.02Å; E66-R69 PolarHBondContact O-N 2.84Å; E66-V70 WeakPolarHBondContact O-CG2 3.44Å; E66-V70 PolarHBondContact O-N 2.76Å; E66-V70 VanDerWaalsContact O-N 3.09Å |
| 67 | Q | 94.8 | Very high | 95.2 | Very high | 95 Ų | 95 | 115.1 Ų | 115.1 | 44% | 0.444 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.8 | -35.5 | 175 | -74.8 | 179.3 | -2.7 | 0 | 0 | 113.2 | I63 K64 E65 R71 | I63-Q67 VanDerWaalsContact O-CG 3.3Å; I63-Q67 WeakPolarHBondContact O-CG 3.42Å; I63-Q67 PolarHBondContact O-N 3.12Å; K64-Q67 PolarHBondContact O-N 3.44Å; E65-Q67 VanDerWaalsContact C-N 3.33Å; E65-Q67 PolarHBondContact O-N 3.08Å; Q67-R71 WeakPolarHBondContact O-CG 3.45Å; Q67-R71 PolarHBondContact O-N 3.06Å; Q67-R71 PolarHBondContact O-NE 3.09Å |
| 68 | S | 94.5 | Very high | 94.9 | Very high | 51 Ų | 51 | 116.7 Ų | 116.7 | 36% | 0.357 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.8 | -47.5 | 176.3 | -158.9 | 0 | 0 | 0 | 0 | 110.1 | K64 E65 E66 V70 R71 E72 | K64-S68 PolarHBondContact O-N 2.72Å; E65-S68 PolarHBondContact O-N 3.39Å; E65-S68 VanDerWaalsContact O-N 3.17Å; E66-S68 VanDerWaalsContact C-N 3.34Å; E66-S68 PolarHBondContact O-N 3.02Å; S68-V70 PolarHBondContact O-N 3.4Å; S68-R71 WeakPolarHBondContact O-CB 3.45Å; S68-R71 PolarHBondContact O-N 3.13Å; S68-R71 VanDerWaalsContact O-N 3.08Å; S68-E72 WeakPolarHBondContact O-CB 3.2Å; S68-E72 WeakPolarHBondContact O-CG 3.3Å; S68-E72 PolarHBondContact O-N 2.8Å; S68-E72 PolarHBondContact OG-OE1 3.3Å |
| 69 | R | 95.6 | Very high | 94.8 | Very high | 142 Ų | 142 | 113.7 Ų | 113.7 | 54% | 0.536 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -55.7 | -49.5 | 177.7 | -75.4 | -178.7 | 177.5 | -175.3 | -2.5 | 112.3 | E65 E66 R71 E72 E73 | E65-R69 WeakPolarHBondContact O-CG 3.33Å; E65-R69 PolarHBondContact O-N 2.8Å; E66-R69 PolarHBondContact O-N 2.84Å; R69-R71 VanDerWaalsContact C-N 3.27Å; R69-R71 PolarHBondContact O-N 2.89Å; R69-E72 PolarHBondContact O-N 3.27Å; R69-E73 WeakPolarHBondContact O-CB 3.3Å; R69-E73 WeakPolarHBondContact O-CG 3.33Å; R69-E73 PolarHBondContact O-N 2.85Å |
| 70 | V | 94.8 | Very high | 94.7 | Very high | 74 Ų | 74 | 114.9 Ų | 114.9 | 45% | 0.448 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.1 | -37.1 | 178.6 | 171.7 | 0 | 0 | 0 | 0 | 111.9 | E66 S68 R74 | E66-V70 WeakPolarHBondContact O-CG2 3.44Å; E66-V70 PolarHBondContact O-N 2.76Å; E66-V70 VanDerWaalsContact O-N 3.09Å; S68-V70 PolarHBondContact O-N 3.4Å; V70-R74 WeakPolarHBondContact O-CB 3.32Å; V70-R74 PolarHBondContact O-N 3.08Å |
| 71 | R | 94.8 | Very high | 94.3 | Very high | 161 Ų | 161 | 113.5 Ų | 113.5 | 61% | 0.608 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70.1 | -42.8 | 176.2 | -74.4 | -178 | -128.1 | 175.8 | -0.9 | 111.8 | Q67 S68 R69 R74 H75 | Q67-R71 WeakPolarHBondContact O-CG 3.45Å; Q67-R71 PolarHBondContact O-N 3.06Å; Q67-R71 PolarHBondContact O-NE 3.09Å; S68-R71 WeakPolarHBondContact O-CB 3.45Å; S68-R71 PolarHBondContact O-N 3.13Å; S68-R71 VanDerWaalsContact O-N 3.08Å; R69-R71 VanDerWaalsContact C-N 3.27Å; R69-R71 PolarHBondContact O-N 2.89Å; R71-R74 PolarHBondContact O-N 3.22Å; R71-H75 VanDerWaalsContact O-CB 3.3Å; R71-H75 WeakPolarHBondContact O-CB 3.39Å; R71-H75 PolarHBondContact O-N 3.22Å |
| 72 | E | 94.2 | Very high | 94 | Very high | 89 Ų | 89 | 110.6 Ų | 110.6 | 42% | 0.416 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 178.6 | -73.7 | 166.2 | -142.1 | 0 | 0 | 111.7 | S68 R69 H75 K76 | S68-E72 WeakPolarHBondContact O-CB 3.2Å; S68-E72 WeakPolarHBondContact O-CG 3.3Å; S68-E72 PolarHBondContact O-N 2.8Å; S68-E72 PolarHBondContact OG-OE1 3.3Å; R69-E72 PolarHBondContact O-N 3.27Å; E72-H75 PolarHBondContact O-N 3.08Å; E72-K76 WeakPolarHBondContact O-CB 3.48Å; E72-K76 WeakPolarHBondContact O-CG 3.45Å; E72-K76 PolarHBondContact O-N 3.2Å |
| 73 | E | 93.2 | Very high | 93.7 | Very high | 111 Ų | 111 | 111.8 Ų | 111.8 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60 | -51 | 174.3 | -74.3 | 168.1 | -176.1 | 0 | 0 | 110.7 | R69 H75 K76 E77 | R69-E73 WeakPolarHBondContact O-CB 3.3Å; R69-E73 WeakPolarHBondContact O-CG 3.33Å; R69-E73 PolarHBondContact O-N 2.85Å; E73-H75 VanDerWaalsContact C-N 3.29Å; E73-H75 PolarHBondContact O-N 3.05Å; E73-K76 PolarHBondContact O-N 2.96Å; E73-E77 WeakPolarHBondContact O-CG 3.49Å; E73-E77 PolarHBondContact O-N 3.09Å |
| 74 | R | 94.1 | Very high | 93.4 | Very high | 175 Ų | 175 | 111.1 Ų | 111.1 | 66% | 0.66 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.7 | -41.3 | 175.6 | -171.9 | -168.3 | -59.2 | -175.4 | -2.2 | 112.3 | V70 R71 E77 Y78 | V70-R74 WeakPolarHBondContact O-CB 3.32Å; V70-R74 PolarHBondContact O-N 3.08Å; R71-R74 PolarHBondContact O-N 3.22Å; R74-E77 PolarHBondContact O-N 2.99Å; R74-Y78 WeakPolarHBondContact O-CB 3.29Å; R74-Y78 PolarHBondContact O-N 3.36Å |
| 75 | H | 93.9 | Very high | 93 | Very high | 118 Ų | 118 | 112 Ų | 112 | 55% | 0.546 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.2 | -37.9 | 179.3 | -176.2 | 67.5 | 0 | 0 | 0 | 111.8 | R71 E72 E73 Y78 T79 | R71-H75 VanDerWaalsContact O-CB 3.3Å; R71-H75 WeakPolarHBondContact O-CB 3.39Å; R71-H75 PolarHBondContact O-N 3.22Å; E72-H75 PolarHBondContact O-N 3.08Å; E73-H75 VanDerWaalsContact C-N 3.29Å; E73-H75 PolarHBondContact O-N 3.05Å; H75-Y78 PolarHBondContact O-N 3.12Å; H75-T79 WeakPolarHBondContact O-CB 3.37Å; H75-T79 WeakPolarHBondContact O-CG2 3.49Å; H75-T79 PolarHBondContact O-N 2.69Å; H75-T79 PolarHBondContact O-OG1 3.03Å |
| 76 | K | 94.4 | Very high | 92.6 | Very high | 133 Ų | 133 | 113.6 Ų | 113.6 | 58% | 0.578 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.8 | -42.4 | 173.3 | -76 | 170.1 | -174.9 | 173.8 | 0 | 111.7 | E72 E73 T79 K80 | E72-K76 WeakPolarHBondContact O-CB 3.48Å; E72-K76 WeakPolarHBondContact O-CG 3.45Å; E72-K76 PolarHBondContact O-N 3.2Å; E73-K76 PolarHBondContact O-N 2.96Å; K76-T79 VanDerWaalsContact CA-OG1 3.28Å; K76-T79 WeakPolarHBondContact CA-OG1 3.43Å; K76-T79 PolarHBondContact O-OG1 2.96Å; K76-K80 VanDerWaalsContact O-CB 3.27Å; K76-K80 WeakPolarHBondContact O-CB 3.38Å; K76-K80 PolarHBondContact O-N 3.42Å |
| 77 | E | 91.3 | Very high | 92.1 | Very high | 132 Ų | 132 | 114.2 Ų | 114.2 | 62% | 0.617 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.7 | -47.9 | 174.5 | -72.3 | 173.6 | 177 | 0 | 0 | 111 | E73 R74 T79 K80 M81 | E73-E77 WeakPolarHBondContact O-CG 3.49Å; E73-E77 PolarHBondContact O-N 3.09Å; R74-E77 PolarHBondContact O-N 2.99Å; E77-T79 PolarHBondContact O-N 2.74Å; E77-K80 WeakPolarHBondContact O-CB 3.47Å; E77-K80 PolarHBondContact O-N 3.47Å; E77-M81 WeakPolarHBondContact O-CG 3.39Å; E77-M81 PolarHBondContact O-N 3.45Å |
| 78 | Y | 90.8 | Very high | 91.5 | Very high | 141 Ų | 141 | 112.5 Ų | 112.5 | 55% | 0.553 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.8 | -46.6 | 177.4 | 179.1 | -104.4 | 0 | 0 | 0 | 112.5 | R74 H75 K80 M81 L82 | R74-Y78 WeakPolarHBondContact O-CB 3.29Å; R74-Y78 PolarHBondContact O-N 3.36Å; H75-Y78 PolarHBondContact O-N 3.12Å; Y78-K80 VanDerWaalsContact C-N 3.29Å; Y78-K80 PolarHBondContact O-N 3.05Å; Y78-M81 PolarHBondContact O-N 2.88Å; Y78-L82 HydrophobicContact CD1-CD1 4.1Å; Y78-L82 HydrophobicContact CE1-CD1 3.42Å; Y78-L82 VanDerWaalsContact CE1-CD1 3.42Å; Y78-L82 HydrophobicContact CE1-CG 4.08Å; Y78-L82 PolarHBondContact O-N 3.4Å |
| 79 | T | 92.9 | Very high | 90.7 | Very high | 42 Ų | 42 | 116.2 Ų | 116.2 | 26% | 0.258 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.3 | -32.1 | 177.2 | 47.4 | 0 | 0 | 0 | 0 | 112.2 | H75 K76 E77 L82 K83 | H75-T79 WeakPolarHBondContact O-CB 3.37Å; H75-T79 WeakPolarHBondContact O-CG2 3.49Å; H75-T79 PolarHBondContact O-N 2.69Å; H75-T79 PolarHBondContact O-OG1 3.03Å; K76-T79 VanDerWaalsContact CA-OG1 3.28Å; K76-T79 WeakPolarHBondContact CA-OG1 3.43Å; K76-T79 PolarHBondContact O-OG1 2.96Å; E77-T79 PolarHBondContact O-N 2.74Å; T79-L82 PolarHBondContact O-N 2.78Å; T79-K83 WeakPolarHBondContact O-CB 3.33Å; T79-K83 VanDerWaalsContact O-CG 3.27Å; T79-K83 WeakPolarHBondContact O-CG 3.32Å; T79-K83 PolarHBondContact O-N 3.48Å |
| 80 | K | 93.3 | Very high | 89.8 | Confident | 125 Ų | 125 | 111.5 Ų | 111.5 | 54% | 0.543 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.6 | -46.6 | 172.2 | -168.6 | 179.8 | -174.4 | -94.3 | 0 | 111.3 | K76 E77 Y78 L82 K83 E84 | K76-K80 VanDerWaalsContact O-CB 3.27Å; K76-K80 WeakPolarHBondContact O-CB 3.38Å; K76-K80 PolarHBondContact O-N 3.42Å; E77-K80 WeakPolarHBondContact O-CB 3.47Å; E77-K80 PolarHBondContact O-N 3.47Å; Y78-K80 VanDerWaalsContact C-N 3.29Å; Y78-K80 PolarHBondContact O-N 3.05Å; K80-L82 VanDerWaalsContact C-N 3.29Å; K80-L82 PolarHBondContact O-N 3.41Å; K80-K83 PolarHBondContact O-N 3.3Å; K80-E84 WeakPolarHBondContact CE-OE1 3.35Å; K80-E84 IonicContact NZ-OE1 2.82Å; K80-E84 PolarHBondContact NZ-OE1 3.49Å; K80-E84 WeakPolarHBondContact O-CG 3.45Å; K80-E84 PolarHBondContact O-N 3.47Å |
| 81 | M | 90.2 | Very high | 88.9 | Confident | 98 Ų | 98 | 112.7 Ų | 112.7 | 48% | 0.483 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.4 | -37.3 | 176.6 | -65.5 | -60 | -56.7 | 0 | 0 | 112.5 | E77 Y78 R85 | E77-M81 WeakPolarHBondContact O-CG 3.39Å; E77-M81 PolarHBondContact O-N 3.45Å; Y78-M81 PolarHBondContact O-N 2.88Å; M81-R85 WeakPolarHBondContact O-CG 3.42Å; M81-R85 PolarHBondContact O-N 3.26Å |
| 82 | L | 90.1 | Very high | 87.8 | Confident | 71 Ų | 71 | 107.4 Ų | 107.4 | 37% | 0.372 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.8 | -44.4 | 174.5 | -71.6 | -175.9 | 0 | 0 | 0 | 111.7 | Y78 T79 K80 R85 E86 | Y78-L82 HydrophobicContact CD1-CD1 4.1Å; Y78-L82 HydrophobicContact CE1-CD1 3.42Å; Y78-L82 VanDerWaalsContact CE1-CD1 3.42Å; Y78-L82 HydrophobicContact CE1-CG 4.08Å; Y78-L82 PolarHBondContact O-N 3.4Å; T79-L82 PolarHBondContact O-N 2.78Å; K80-L82 VanDerWaalsContact C-N 3.29Å; K80-L82 PolarHBondContact O-N 3.41Å; L82-R85 WeakPolarHBondContact O-CB 3.2Å; L82-R85 PolarHBondContact O-N 3.08Å; L82-E86 WeakPolarHBondContact O-CB 3.45Å; L82-E86 PolarHBondContact O-N 3.03Å |
| 83 | K | 91.1 | Very high | 86.7 | Confident | 135 Ų | 135 | 109 Ų | 109 | 59% | 0.587 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.6 | -42.1 | 176.7 | -74.3 | 176 | 179.2 | -169.5 | 0 | 112.7 | T79 K80 R85 E86 E87 | T79-K83 WeakPolarHBondContact O-CB 3.33Å; T79-K83 VanDerWaalsContact O-CG 3.27Å; T79-K83 WeakPolarHBondContact O-CG 3.32Å; T79-K83 PolarHBondContact O-N 3.48Å; K80-K83 PolarHBondContact O-N 3.3Å; K83-R85 VanDerWaalsContact C-N 3.25Å; K83-R85 PolarHBondContact O-N 3.37Å; K83-E86 PolarHBondContact O-N 2.92Å; K83-E87 WeakPolarHBondContact O-CB 3.4Å; K83-E87 PolarHBondContact O-N 3.46Å |
| 84 | E | 89.5 | Confident | 85.7 | Confident | 77 Ų | 77 | 108.1 Ų | 108.1 | 36% | 0.36 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.8 | -35.4 | 176.2 | -73.3 | 171 | -174.5 | 0 | 0 | 111.6 | K80 A88 | K80-E84 WeakPolarHBondContact CE-OE1 3.35Å; K80-E84 IonicContact NZ-OE1 2.82Å; K80-E84 PolarHBondContact NZ-OE1 3.49Å; K80-E84 WeakPolarHBondContact O-CG 3.45Å; K80-E84 PolarHBondContact O-N 3.47Å; E84-A88 WeakPolarHBondContact O-CB 3.47Å; E84-A88 PolarHBondContact O-N 2.9Å |
| 85 | R | 89.4 | Confident | 84.7 | Confident | 168 Ų | 168 | 106.8 Ų | 106.8 | 63% | 0.634 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -71.3 | -41 | 173.9 | -72.5 | 173.9 | 177.8 | -174.6 | -2.3 | 112.4 | M81 L82 K83 A88 L89 | M81-R85 WeakPolarHBondContact O-CG 3.42Å; M81-R85 PolarHBondContact O-N 3.26Å; L82-R85 WeakPolarHBondContact O-CB 3.2Å; L82-R85 PolarHBondContact O-N 3.08Å; K83-R85 VanDerWaalsContact C-N 3.25Å; K83-R85 PolarHBondContact O-N 3.37Å; R85-A88 PolarHBondContact O-N 3.48Å; R85-L89 WeakPolarHBondContact O-CG 3.34Å; R85-L89 PolarHBondContact O-N 3.17Å |
| 86 | E | 86.4 | Confident | 83.6 | Confident | 138 Ų | 138 | 106.5 Ų | 106.5 | 65% | 0.645 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65 | -43.4 | 177.8 | -171.6 | 177.6 | -177.3 | 0 | 0 | 111.1 | L82 K83 L89 A90 | L82-E86 WeakPolarHBondContact O-CB 3.45Å; L82-E86 PolarHBondContact O-N 3.03Å; K83-E86 PolarHBondContact O-N 2.92Å; E86-L89 PolarHBondContact O-N 2.86Å; E86-A90 WeakPolarHBondContact O-CB 3.3Å; E86-A90 PolarHBondContact O-N 3.23Å |
| 87 | E | 84.8 | Confident | 82.5 | Confident | 122 Ų | 122 | 105.2 Ų | 105.2 | 57% | 0.57 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.3 | -45.8 | 174 | -173.6 | 173.1 | -163 | 0 | 0 | 111.1 | K83 L89 A90 D91 | K83-E87 WeakPolarHBondContact O-CB 3.4Å; K83-E87 PolarHBondContact O-N 3.46Å; E87-L89 VanDerWaalsContact C-N 3.27Å; E87-L89 PolarHBondContact O-N 3.43Å; E87-A90 PolarHBondContact O-N 3.05Å; E87-D91 WeakPolarHBondContact O-CB 3.35Å; E87-D91 VanDerWaalsContact O-CG 3.31Å; E87-D91 PolarHBondContact O-N 2.82Å |
| 88 | A | 81.9 | Confident | 81.6 | Confident | 59 Ų | 59 | 104.5 Ų | 104.5 | 49% | 0.488 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -31 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | E84 R85 A92 | E84-A88 WeakPolarHBondContact O-CB 3.47Å; E84-A88 PolarHBondContact O-N 2.9Å; R85-A88 PolarHBondContact O-N 3.48Å; A88-A92 WeakPolarHBondContact O-CB 3.49Å; A88-A92 PolarHBondContact O-N 2.81Å |
| 89 | L | 78.1 | Confident | 80.6 | Confident | 129 Ų | 129 | 99.8 Ų | 99.8 | 68% | 0.675 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -75.4 | -39.8 | 174.1 | -75.9 | 176.1 | 0 | 0 | 0 | 111.8 | R85 E86 E87 A92 E93 | R85-L89 WeakPolarHBondContact O-CG 3.34Å; R85-L89 PolarHBondContact O-N 3.17Å; E86-L89 PolarHBondContact O-N 2.86Å; E87-L89 VanDerWaalsContact C-N 3.27Å; E87-L89 PolarHBondContact O-N 3.43Å; L89-A92 PolarHBondContact O-N 2.82Å; L89-E93 WeakPolarHBondContact O-CB 3.37Å; L89-E93 PolarHBondContact O-N 3.04Å |
| 90 | A | 77.4 | Confident | 79.5 | Confident | 43 Ų | 43 | 101 Ų | 101 | 36% | 0.355 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E86 E87 A92 E93 D94 | E86-A90 WeakPolarHBondContact O-CB 3.3Å; E86-A90 PolarHBondContact O-N 3.23Å; E87-A90 PolarHBondContact O-N 3.05Å; A90-A92 PolarHBondContact O-N 2.87Å; A90-E93 PolarHBondContact O-N 2.95Å; A90-E93 VanDerWaalsContact O-N 3.11Å; A90-D94 PolarHBondContact O-N 3.13Å |
| 91 | D | 74.4 | Confident | 78.3 | Confident | 99 Ų | 99 | 100.7 Ų | 100.7 | 53% | 0.529 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.6 | -36.8 | 175.8 | -70.5 | -15.6 | 0 | 0 | 0 | 111.7 | E87 E95 | E87-D91 WeakPolarHBondContact O-CB 3.35Å; E87-D91 VanDerWaalsContact O-CG 3.31Å; E87-D91 PolarHBondContact O-N 2.82Å; D91-E95 WeakPolarHBondContact O-CB 3.33Å; D91-E95 PolarHBondContact O-N 3.38Å |
| 92 | A | 72.7 | Confident | 77.5 | Confident | 50 Ų | 50 | 100.7 Ų | 100.7 | 41% | 0.413 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -73.9 | -32.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | A88 L89 A90 L96 | A88-A92 WeakPolarHBondContact O-CB 3.49Å; A88-A92 PolarHBondContact O-N 2.81Å; L89-A92 PolarHBondContact O-N 2.82Å; A90-A92 PolarHBondContact O-N 2.87Å; A92-L96 VanDerWaalsContact O-CB 3.27Å; A92-L96 WeakPolarHBondContact O-CB 3.27Å; A92-L96 PolarHBondContact O-N 3.47Å |
| 93 | E | 70.9 | Confident | 76.4 | Confident | 122 Ų | 122 | 101.4 Ų | 101.4 | 57% | 0.57 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.4 | -44.1 | 174 | -169.4 | 164 | -140.5 | 0 | 0 | 110.4 | L89 A90 E95 L96 E97 | L89-E93 WeakPolarHBondContact O-CB 3.37Å; L89-E93 PolarHBondContact O-N 3.04Å; A90-E93 PolarHBondContact O-N 2.95Å; A90-E93 VanDerWaalsContact O-N 3.11Å; E93-E95 PolarHBondContact O-N 3.44Å; E93-L96 CarbonylContact O-C 3.59Å; E93-L96 PolarHBondContact O-N 3.17Å; E93-E97 WeakPolarHBondContact O-CG 3.44Å; E93-E97 PolarHBondContact O-N 3.09Å |
| 94 | D | 73.3 | Confident | 75.2 | Confident | 93 Ų | 93 | 96.1 Ų | 96.1 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 174.1 | -72.3 | -13.8 | 0 | 0 | 0 | 111.5 | A90 L96 E97 D98 | A90-D94 PolarHBondContact O-N 3.13Å; D94-L96 VanDerWaalsContact C-N 3.32Å; D94-L96 PolarHBondContact O-N 3.33Å; D94-E97 PolarHBondContact O-N 3.09Å; D94-D98 PolarHBondContact O-N 2.88Å |
| 95 | E | 73.1 | Confident | 74.4 | Confident | 148 Ų | 148 | 99 Ų | 99 | 69% | 0.692 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.4 | -37.4 | 175.3 | -175 | 175.9 | -174.6 | 0 | 0 | 112 | D91 E93 A99 | D91-E95 WeakPolarHBondContact O-CB 3.33Å; D91-E95 PolarHBondContact O-N 3.38Å; E93-E95 PolarHBondContact O-N 3.44Å; E95-A99 VanDerWaalsContact O-CB 3.28Å; E95-A99 WeakPolarHBondContact O-CB 3.41Å; E95-A99 PolarHBondContact O-N 2.91Å |
| 96 | L | 70.3 | Confident | 73.6 | Confident | 111 Ų | 111 | 94.7 Ų | 94.7 | 58% | 0.581 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.5 | -41.6 | 176.3 | -178.4 | 64.6 | 0 | 0 | 0 | 111.7 | A92 E93 D94 A99 V100 | A92-L96 VanDerWaalsContact O-CB 3.27Å; A92-L96 WeakPolarHBondContact O-CB 3.27Å; A92-L96 PolarHBondContact O-N 3.47Å; E93-L96 CarbonylContact O-C 3.59Å; E93-L96 PolarHBondContact O-N 3.17Å; D94-L96 VanDerWaalsContact C-N 3.32Å; D94-L96 PolarHBondContact O-N 3.33Å; L96-A99 PolarHBondContact O-N 3.19Å; L96-V100 HydrophobicContact CD1-CG2 4.26Å; L96-V100 HydrophobicContact CG-CG2 4.36Å; L96-V100 WeakPolarHBondContact O-CB 3.28Å; L96-V100 WeakPolarHBondContact O-CG2 3.34Å; L96-V100 PolarHBondContact O-N 3.23Å |
| 97 | E | 70.1 | Confident | 73.3 | Confident | 106 Ų | 106 | 90.4 Ų | 90.4 | 50% | 0.495 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61 | -46.2 | 175.5 | -76 | -171.5 | 177.1 | 0 | 0 | 110.9 | E93 D94 A99 V100 I101 | E93-E97 WeakPolarHBondContact O-CG 3.44Å; E93-E97 PolarHBondContact O-N 3.09Å; D94-E97 PolarHBondContact O-N 3.09Å; E97-A99 VanDerWaalsContact C-N 3.35Å; E97-A99 PolarHBondContact O-N 3.08Å; E97-V100 PolarHBondContact O-N 3.17Å; E97-I101 WeakPolarHBondContact O-CB 3.4Å; E97-I101 WeakPolarHBondContact O-CD1 3.4Å; E97-I101 WeakPolarHBondContact O-CG1 3.34Å; E97-I101 PolarHBondContact O-N 3.43Å |
| 98 | D | 73.2 | Confident | 73.1 | Confident | 117 Ų | 117 | 91.2 Ų | 91.2 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.4 | -42.3 | 175 | -81.9 | -13.3 | 0 | 0 | 0 | 111.8 | D94 I101 S102 | D94-D98 PolarHBondContact O-N 2.88Å; D98-I101 PolarHBondContact O-N 3.05Å; D98-S102 VanDerWaalsContact O-CB 3.29Å; D98-S102 WeakPolarHBondContact O-CB 3.33Å; D98-S102 PolarHBondContact O-N 3.3Å; D98-S102 PolarHBondContact O-OG 3.29Å |
| 99 | A | 70.1 | Confident | 73.3 | Confident | 43 Ų | 43 | 94.3 Ų | 94.3 | 36% | 0.355 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E95 L96 E97 S102 T103 | E95-A99 VanDerWaalsContact O-CB 3.28Å; E95-A99 WeakPolarHBondContact O-CB 3.41Å; E95-A99 PolarHBondContact O-N 2.91Å; L96-A99 PolarHBondContact O-N 3.19Å; E97-A99 VanDerWaalsContact C-N 3.35Å; E97-A99 PolarHBondContact O-N 3.08Å; A99-S102 WeakPolarHBondContact CA-OG 3.32Å; A99-S102 PolarHBondContact O-N 2.85Å; A99-S102 PolarHBondContact O-OG 3.4Å; A99-T103 WeakPolarHBondContact O-CB 3.27Å; A99-T103 VanDerWaalsContact O-CG2 3.27Å; A99-T103 WeakPolarHBondContact O-CG2 3.47Å; A99-T103 PolarHBondContact O-N 3.01Å; A99-T103 PolarHBondContact O-OG1 3.17Å |
| 100 | V | 68.7 | Low | 73.6 | Confident | 68 Ų | 68 | 94.5 Ų | 94.5 | 41% | 0.412 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 176.5 | 169.7 | 0 | 0 | 0 | 0 | 110.3 | L96 E97 S102 T103 T104 | L96-V100 HydrophobicContact CD1-CG2 4.26Å; L96-V100 HydrophobicContact CG-CG2 4.36Å; L96-V100 WeakPolarHBondContact O-CB 3.28Å; L96-V100 WeakPolarHBondContact O-CG2 3.34Å; L96-V100 PolarHBondContact O-N 3.23Å; E97-V100 PolarHBondContact O-N 3.17Å; V100-S102 VanDerWaalsContact C-N 3.32Å; V100-S102 PolarHBondContact O-N 3.46Å; V100-T103 PolarHBondContact O-N 3.37Å; V100-T103 PolarHBondContact O-OG1 2.89Å; V100-T104 HydrophobicContact CG1-CG2 3.99Å; V100-T104 VanDerWaalsContact O-CB 3.23Å; V100-T104 WeakPolarHBondContact O-CB 3.39Å; V100-T104 WeakPolarHBondContact O-CG2 3.49Å; V100-T104 PolarHBondContact O-N 3.46Å; V100-T104 PolarHBondContact O-OG1 3.19Å |
| 101 | I | 69.6 | Low | 74.1 | Confident | 117 Ų | 117 | 96.2 Ų | 96.2 | 60% | 0.6 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.3 | -38.2 | 177.3 | -66.3 | 162 | 0 | 0 | 0 | 111 | E97 D98 | E97-I101 WeakPolarHBondContact O-CB 3.4Å; E97-I101 WeakPolarHBondContact O-CD1 3.4Å; E97-I101 WeakPolarHBondContact O-CG1 3.34Å; E97-I101 PolarHBondContact O-N 3.43Å; D98-I101 PolarHBondContact O-N 3.05Å |
| 102 | S | 71.6 | Confident | 74.8 | Confident | 98 Ų | 98 | 97.7 Ų | 97.7 | 69% | 0.685 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -72.6 | -30.3 | 179 | 73.3 | 0 | 0 | 0 | 0 | 113.9 | D98 A99 V100 | D98-S102 VanDerWaalsContact O-CB 3.29Å; D98-S102 WeakPolarHBondContact O-CB 3.33Å; D98-S102 PolarHBondContact O-N 3.3Å; D98-S102 PolarHBondContact O-OG 3.29Å; A99-S102 WeakPolarHBondContact CA-OG 3.32Å; A99-S102 PolarHBondContact O-N 2.85Å; A99-S102 PolarHBondContact O-OG 3.4Å; V100-S102 VanDerWaalsContact C-N 3.32Å; V100-S102 PolarHBondContact O-N 3.46Å |
| 103 | T | 67.3 | Low | 75.5 | Confident | 86 Ų | 86 | 102.8 Ų | 102.8 | 53% | 0.528 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -92.6 | -23.8 | -178.5 | 53.8 | 0 | 0 | 0 | 0 | 113.2 | A99 V100 | A99-T103 WeakPolarHBondContact O-CB 3.27Å; A99-T103 VanDerWaalsContact O-CG2 3.27Å; A99-T103 WeakPolarHBondContact O-CG2 3.47Å; A99-T103 PolarHBondContact O-N 3.01Å; A99-T103 PolarHBondContact O-OG1 3.17Å; V100-T103 PolarHBondContact O-N 3.37Å; V100-T103 PolarHBondContact O-OG1 2.89Å |
| 104 | T | 67.4 | Low | 76.2 | Confident | 24 Ų | 24 | 102.3 Ų | 102.3 | 15% | 0.147 | 55% | 0.548 | C | S | . | . | trans | -88.8 | 110.7 | -179.9 | 57.4 | 0 | 0 | 0 | 0 | 111.1 | V100 S106 T119 I121 | V100-T104 HydrophobicContact CG1-CG2 3.99Å; V100-T104 VanDerWaalsContact O-CB 3.23Å; V100-T104 WeakPolarHBondContact O-CB 3.39Å; V100-T104 WeakPolarHBondContact O-CG2 3.49Å; V100-T104 PolarHBondContact O-N 3.46Å; V100-T104 PolarHBondContact O-OG1 3.19Å; T104-S106 PolarHBondContact O-N 3.32Å; T104-T119 HydrophobicContact CG2-CG2 4.12Å; T104-I121 HydrophobicContact CG2-CG1 4.17Å | ||
| 105 | E | 72 | Confident | 76.8 | Confident | 137 Ų | 137 | 101.2 Ų | 101.2 | 64% | 0.64 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 114.1 | 166.6 | -169.5 | 177 | 173.4 | 0 | 0 | 107.9 | V107 T120 | E105-V107 HydrophobicContact CG-CG2 4.2Å; E105-T120 PolarHBondContact O-N 3.33Å; E105-T120 PolarHBondContact O-OG1 2.84Å |
| 106 | S | 71.8 | Confident | 77.5 | Confident | 79 Ų | 79 | 96.6 Ų | 96.6 | 55% | 0.552 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 119.9 | 173.6 | 57.9 | 0 | 0 | 0 | 0 | 109.5 | T104 | T104-S106 PolarHBondContact O-N 3.32Å |
| 107 | V | 79.7 | Confident | 78.2 | Confident | 47 Ų | 47 | 95.2 Ų | 95.2 | 29% | 0.285 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 119.1 | 179 | -173.8 | 0 | 0 | 0 | 0 | 108.7 | E105 Y109 V118 | E105-V107 HydrophobicContact CG-CG2 4.2Å; V107-Y109 HydrophobicContact CB-CE2 3.77Å; V107-Y109 HydrophobicContact CG1-CD2 4.15Å; V107-Y109 HydrophobicContact CG1-CE1 3.97Å; V107-Y109 HydrophobicContact CG1-CE2 3.51Å; V107-Y109 VanDerWaalsContact CG1-CZ 3.4Å; V107-V118 PolarHBondContact N-O 2.81Å; V107-V118 PolarHBondContact O-N 3.19Å |
| 108 | Q | 80.8 | Confident | 78.7 | Confident | 139 Ų | 139 | 93.2 Ų | 93.2 | 65% | 0.65 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 118.9 | 178.1 | -168.7 | 176.1 | 16.5 | 0 | 0 | 109.9 | T115 | Q108-T115 HydrophobicContact CG-CG2 3.41Å; Q108-T115 VanDerWaalsContact CG-CG2 3.41Å |
| 109 | Y | 85.9 | Confident | 78.9 | Confident | 124 Ų | 124 | 91.4 Ų | 91.4 | 49% | 0.486 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 113.9 | 177.7 | -63.8 | -84.1 | 0 | 0 | 0 | 110 | V107 H111 V116 V118 | V107-Y109 HydrophobicContact CB-CE2 3.77Å; V107-Y109 HydrophobicContact CG1-CD2 4.15Å; V107-Y109 HydrophobicContact CG1-CE1 3.97Å; V107-Y109 HydrophobicContact CG1-CE2 3.51Å; V107-Y109 VanDerWaalsContact CG1-CZ 3.4Å; Y109-H111 PolarHBondContact O-ND1 2.86Å; Y109-V116 PolarHBondContact N-O 3.31Å; Y109-V116 PolarHBondContact O-N 2.83Å; Y109-V118 HydrophobicContact CD2-CB 4.45Å; Y109-V118 HydrophobicContact CD2-CG2 4.03Å; Y109-V118 HydrophobicContact CE2-CB 4.2Å; Y109-V118 HydrophobicContact CE2-CG2 4.12Å |
| 110 | D | 86.2 | Confident | 79 | Confident | 134 Ų | 134 | 92.7 Ų | 92.7 | 72% | 0.717 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 118.8 | 179 | -158.4 | 27.9 | 0 | 0 | 0 | 110.8 | T115 | D110-T115 PolarHBondContact OD1-OG1 2.72Å |
| 111 | H | 86.4 | Confident | 79.2 | Confident | 79 Ų | 79 | 94.6 Ų | 94.6 | 37% | 0.366 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 156.8 | 177.8 | -57.6 | 73.1 | 0 | 0 | 0 | 109.3 | Y109 N113 H114 | Y109-H111 PolarHBondContact O-ND1 2.86Å; H111-N113 PolarHBondContact O-N 3.42Å; H111-H114 CarbonylContact C-O 3.6Å; H111-H114 VanDerWaalsContact CA-O 3.27Å; H111-H114 WeakPolarHBondContact CA-O 3.5Å; H111-H114 WeakPolarHBondContact CB-O 3.23Å; H111-H114 PolarHBondContact N-O 2.92Å; H111-H114 PolarHBondContact O-N 3.45Å |
| 112 | P | 89.8 | Confident | 78.8 | Confident | 130 Ų | 130 | 93 Ų | 93 | 84% | 0.844 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -20.2 | -167.4 | -25.2 | 33.4 | 0 | 0 | 0 | 116.3 | ||
| 113 | N | 86.5 | Confident | 78.4 | Confident | 157 Ų | 157 | 95.7 Ų | 95.7 | 84% | 0.84 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.3 | 0.2 | -178.3 | -66.3 | -42.4 | 0 | 0 | 0 | 113.6 | H111 | H111-N113 PolarHBondContact O-N 3.42Š|
| 114 | H | 86.9 | Confident | 78.2 | Confident | 111 Ų | 111 | 96.8 Ų | 96.8 | 51% | 0.514 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.2 | 157.9 | -177.7 | 60.3 | -73.3 | 0 | 0 | 0 | 110.5 | H111 V116 | H111-H114 CarbonylContact C-O 3.6Å; H111-H114 VanDerWaalsContact CA-O 3.27Å; H111-H114 WeakPolarHBondContact CA-O 3.5Å; H111-H114 WeakPolarHBondContact CB-O 3.23Å; H111-H114 PolarHBondContact N-O 2.92Å; H111-H114 PolarHBondContact O-N 3.45Å; H114-V116 VanDerWaalsContact CD2-CG2 3.4Å; H114-V116 WeakPolarHBondContact CD2-CG2 3.47Å |
| 115 | T | 85.3 | Confident | 78 | Confident | 70 Ų | 70 | 100.6 Ų | 100.6 | 43% | 0.429 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 132.5 | 174.9 | -46.5 | 0 | 0 | 0 | 0 | 109.3 | Q108 D110 | Q108-T115 HydrophobicContact CG-CG2 3.41Å; Q108-T115 VanDerWaalsContact CG-CG2 3.41Å; D110-T115 PolarHBondContact OD1-OG1 2.72Å |
| 116 | V | 88.9 | Confident | 77.6 | Confident | 51 Ų | 51 | 101 Ų | 101 | 31% | 0.309 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112 | 121.9 | 179.2 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | Y109 H114 V118 | Y109-V116 PolarHBondContact N-O 3.31Å; Y109-V116 PolarHBondContact O-N 2.83Å; H114-V116 VanDerWaalsContact CD2-CG2 3.4Å; H114-V116 WeakPolarHBondContact CD2-CG2 3.47Å; V116-V118 HydrophobicContact CG1-CG2 4.07Å |
| 117 | T | 83.1 | Confident | 77.2 | Confident | 83 Ų | 83 | 100.9 Ų | 100.9 | 51% | 0.509 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.9 | 120 | 172.3 | -51.4 | 0 | 0 | 0 | 0 | 108.8 | ||
| 118 | V | 82.4 | Confident | 76.1 | Confident | 64 Ų | 64 | 100.7 Ų | 100.7 | 39% | 0.388 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.7 | 115.6 | 175.9 | -177.2 | 0 | 0 | 0 | 0 | 107.9 | V107 Y109 V116 T120 | V107-V118 PolarHBondContact N-O 2.81Å; V107-V118 PolarHBondContact O-N 3.19Å; Y109-V118 HydrophobicContact CD2-CB 4.45Å; Y109-V118 HydrophobicContact CD2-CG2 4.03Å; Y109-V118 HydrophobicContact CE2-CB 4.2Å; Y109-V118 HydrophobicContact CE2-CG2 4.12Å; V116-V118 HydrophobicContact CG1-CG2 4.07Å; V118-T120 HydrophobicContact CG1-CG2 4.37Å |
| 119 | T | 76.9 | Confident | 75 | Confident | 79 Ų | 79 | 98 Ų | 98 | 49% | 0.485 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.8 | 112.8 | 175.9 | -50.1 | 0 | 0 | 0 | 0 | 108.4 | T104 | T104-T119 HydrophobicContact CG2-CG2 4.12Å |
| 120 | T | 72.4 | Confident | 73.7 | Confident | 70 Ų | 70 | 98.3 Ų | 98.3 | 43% | 0.429 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.8 | 129.2 | 177.3 | 49.6 | 0 | 0 | 0 | 0 | 110.2 | E105 V118 | E105-T120 PolarHBondContact O-N 3.33Å; E105-T120 PolarHBondContact O-OG1 2.84Å; V118-T120 HydrophobicContact CG1-CG2 4.37Å |
| 121 | I | 73 | Confident | 72.4 | Confident | 107 Ų | 107 | 97.6 Ų | 97.6 | 55% | 0.549 | 56% | 0.564 | S | S | . | * | trans | -100.7 | 105 | 174.5 | -47.7 | 171.7 | 0 | 0 | 0 | 106.9 | T104 D123 L124 | T104-I121 HydrophobicContact CG2-CG1 4.17Å; I121-D123 VanDerWaalsContact C-N 3.32Å; I121-D123 PolarHBondContact O-N 3.04Å; I121-L124 HydrophobicContact CG2-CB 4.33Å | ||
| 122 | S | 60.8 | Low | 71 | Confident | 85 Ų | 85 | 102.3 Ų | 102.3 | 59% | 0.594 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -34 | -166.7 | -35.1 | 0 | 0 | 0 | 0 | 114.5 | ||
| 123 | D | 62.3 | Low | 69.1 | Low | 153 Ų | 153 | 106.4 Ų | 106.4 | 82% | 0.818 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123 | 27.2 | -165.6 | -61.3 | -18.6 | 0 | 0 | 0 | 113.5 | I121 D125 | I121-D123 VanDerWaalsContact C-N 3.32Å; I121-D123 PolarHBondContact O-N 3.04Å; D123-D125 PolarHBondContact O-N 3.28Å |
| 124 | L | 64.1 | Low | 67.2 | Low | 110 Ų | 110 | 103.8 Ų | 103.8 | 58% | 0.576 | 58% | 0.575 | S | S | * | * | trans | -77.4 | 90 | 174.9 | -155.2 | 75.7 | 0 | 0 | 0 | 109.7 | I121 L126 | I121-L124 HydrophobicContact CG2-CB 4.33Å; L124-L126 VanDerWaalsContact C-N 3.34Å; L124-L126 HydrophobicContact CD2-CD2 3.76Å; L124-L126 HydrophobicContact CD2-CG 4.5Å; L124-L126 HydrophobicContact CG-CD2 4.16Å; L124-L126 PolarHBondContact O-N 2.65Å | ||
| 125 | D | 61.9 | Low | 64.9 | Low | 103 Ų | 103 | 103 Ų | 103 | 55% | 0.551 | 59% | 0.587 | S | S | * | * | trans | -67.5 | 91.3 | 173.5 | -169.6 | 14.1 | 0 | 0 | 0 | 110.2 | D123 S127 | D123-D125 PolarHBondContact O-N 3.28Å; D125-S127 PolarHBondContact O-N 3.19Å; D125-S127 WeakPolarHBondContact OD1-CB 3.36Å; D125-S127 PolarHBondContact OD1-N 3.37Å | ||
| 126 | L | 64.4 | Low | 62.8 | Low | 146 Ų | 146 | 106 Ų | 106 | 76% | 0.764 | 61% | 0.606 | S | S | * | * | trans | -72.2 | -3.3 | 176 | -64.1 | 175.9 | 0 | 0 | 0 | 112.6 | L124 G128 | L124-L126 VanDerWaalsContact C-N 3.34Å; L124-L126 HydrophobicContact CD2-CD2 3.76Å; L124-L126 HydrophobicContact CD2-CG 4.5Å; L124-L126 HydrophobicContact CG-CD2 4.16Å; L124-L126 PolarHBondContact O-N 2.65Å; L126-G128 VanDerWaalsContact C-N 3.28Å; L126-G128 PolarHBondContact O-N 2.86Å | ||
| 127 | S | 62.5 | Low | 60.4 | Low | 76 Ų | 76 | 108.2 Ų | 108.2 | 53% | 0.531 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -66.6 | 91 | 165.3 | -173.1 | 0 | 0 | 0 | 0 | 107.6 | D125 A129 | D125-S127 PolarHBondContact O-N 3.19Å; D125-S127 WeakPolarHBondContact OD1-CB 3.36Å; D125-S127 PolarHBondContact OD1-N 3.37Å; S127-A129 PolarHBondContact O-N 3.42Å |
| 128 | G | 57.2 | Low | 58.3 | Low | 43 Ų | 43 | 112.6 Ų | 112.6 | 44% | 0.443 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.1 | 35.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | L126 | L126-G128 VanDerWaalsContact C-N 3.28Å; L126-G128 PolarHBondContact O-N 2.86Å |
| 129 | A | 59 | Low | 56 | Low | 84 Ų | 84 | 113.8 Ų | 113.8 | 69% | 0.694 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -25.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S127 | S127-A129 PolarHBondContact O-N 3.42Š|
| 130 | H | 56.6 | Low | 53.8 | Low | 130 Ų | 130 | 117.4 Ų | 117.4 | 60% | 0.602 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -95 | -30.1 | -177 | 112.3 | -84.8 | 0 | 0 | 0 | 114 | F132 R133 | H130-F132 PolarHBondContact O-N 3.19Å; H130-R133 PolarHBondContact O-N 2.88Å |
| 131 | L | 60 | Low | 52 | Low | 118 Ų | 118 | 122.3 Ų | 122.3 | 62% | 0.618 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -16.9 | -176.3 | -77.1 | 156.7 | 0 | 0 | 0 | 114.2 | ||
| 132 | F | 57.3 | Low | 50.1 | Low | 178 Ų | 178 | 125.4 Ų | 125.4 | 78% | 0.781 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | 11.2 | -178.7 | -66.2 | -72.5 | 0 | 0 | 0 | 114.1 | H130 P134 | H130-F132 PolarHBondContact O-N 3.19Å; F132-P134 VanDerWaalsContact O-CD 3.23Å; F132-P134 WeakPolarHBondContact O-CD 3.48Å |
| 133 | R | 48.7 | Very low | 48.8 | Very low | 217 Ų | 217 | 131 Ų | 131 | 82% | 0.819 | 72% | 0.72 | S | S | * | * | trans | -76.3 | 113.7 | 175 | -169.9 | 171.8 | -166.9 | 150.5 | 2.8 | 108.7 | H130 A135 | H130-R133 PolarHBondContact O-N 2.88Å; R133-A135 PolarHBondContact O-N 3Å | ||
| 134 | P | 48.1 | Very low | 47.6 | Very low | 102 Ų | 102 | 132 Ų | 132 | 66% | 0.662 | 72% | 0.72 | S | S | * | * | trans | -66.6 | 122.1 | 172.8 | -4.4 | 21.2 | 0 | 0 | 0 | 106.8 | F132 T136 | F132-P134 VanDerWaalsContact O-CD 3.23Å; F132-P134 WeakPolarHBondContact O-CD 3.48Å; P134-T136 VanDerWaalsContact C-N 3.3Å; P134-T136 PolarHBondContact O-N 3.2Å | ||
| 135 | A | 38.7 | Very low | 45.9 | Very low | 94 Ų | 94 | 133.8 Ų | 133.8 | 78% | 0.777 | 73% | 0.73 | S | S | * | * | trans | -64 | 99 | 162.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | R133 S137 | R133-A135 PolarHBondContact O-N 3Å; A135-S137 PolarHBondContact O-N 3.04Å | ||
| 136 | T | 41.2 | Very low | 44.5 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 82% | 0.816 | 74% | 0.74 | S | S | * | * | trans | -67.3 | 89.1 | 167.8 | 52.1 | 0 | 0 | 0 | 0 | 107.6 | P134 | P134-T136 VanDerWaalsContact C-N 3.3Å; P134-T136 PolarHBondContact O-N 3.2Å | ||
| 137 | S | 36.8 | Very low | 43 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | trans | -98.6 | 114.2 | 152.3 | 54.7 | 0 | 0 | 0 | 0 | 106.9 | A135 A139 | A135-S137 PolarHBondContact O-N 3.04Å; S137-A139 PolarHBondContact O-N 3.43Å | ||
| 138 | D | 39.4 | Very low | 41.7 | Very low | 175 Ų | 175 | 142.5 Ų | 142.5 | 94% | 0.936 | 76% | 0.762 | S | S | * | * | trans | -49 | 109 | 164.7 | -61.5 | -65.1 | 0 | 0 | 0 | 109.6 | ||||
| 139 | A | 33.8 | Very low | 40.6 | Very low | 89 Ų | 89 | 148.6 Ų | 148.6 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | -153.1 | 96.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | S137 | S137-A139 PolarHBondContact O-N 3.43Š| ||
| 140 | D | 32.4 | Very low | 39.6 | Very low | 156 Ų | 156 | 152.6 Ų | 152.6 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | -9.8 | 128.7 | 155.5 | -132.8 | -8.8 | 0 | 0 | 0 | 116.4 | ||||
| 141 | E | 34.7 | Very low | 38.5 | Very low | 173 Ų | 173 | 152.4 Ų | 152.4 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | -10.1 | 126.2 | 168.2 | -65 | 178 | 172 | 0 | 0 | 119 | ||||
| 142 | E | 32 | Very low | 37.1 | Very low | 172 Ų | 172 | 152.8 Ų | 152.8 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -53.1 | 141.1 | 155.5 | -60.8 | 176.4 | 166.1 | 0 | 0 | 112.1 | ||||
| 143 | K | 33 | Very low | 35.9 | Very low | 202 Ų | 202 | 153.8 Ų | 153.8 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | trans | -130 | 115.8 | 140.5 | -74.2 | -137.6 | 174.1 | -160.1 | 0 | 109.6 | ||||
| 144 | E | 37.1 | Very low | 35.6 | Very low | 175 Ų | 175 | 152.3 Ų | 152.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -57.6 | 147.1 | 162.9 | -57.6 | -157.2 | 170.4 | 0 | 0 | 111.8 | ||||
| 145 | D | 29.9 | Very low | 35.1 | Very low | 146 Ų | 146 | 156.5 Ų | 156.5 | 78% | 0.781 | 81% | 0.806 | S | S | * | * | -167 | 165 | 122.3 | -145.6 | -15.7 | 0 | 0 | 0 | 110.6 | |||||
| 146 | D | 31.3 | Very low | 35.5 | Very low | 141 Ų | 141 | 161 Ų | 161 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | trans | 102.1 | 81.5 | 161 | -63.6 | -29.1 | 0 | 0 | 0 | 117.5 | ||||
| 147 | N | 33.5 | Very low | 35.8 | Very low | 163 Ų | 163 | 162.2 Ų | 162.2 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | -119.5 | 105.1 | 142.5 | -102.9 | -35.3 | 0 | 0 | 0 | 109.9 | ||||
| 148 | K | 34.3 | Very low | 36.3 | Very low | 204 Ų | 204 | 165.8 Ų | 165.8 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | trans | -178.5 | 111.8 | 132.5 | -102.3 | 166 | -174.3 | 178.3 | 0 | 112.6 | ||||
| 149 | E | 35.4 | Very low | 36.4 | Very low | 172 Ų | 172 | 169.5 Ų | 169.5 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -74.5 | 145.6 | 158.9 | -82.3 | -179 | 160 | 0 | 0 | 112 | ||||
| 150 | E | 38 | Very low | 37.1 | Very low | 168 Ų | 168 | 173.1 Ų | 173.1 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | 48.9 | 133.1 | 142.3 | -55.9 | -172.2 | 165.4 | 0 | 0 | 118.4 | ||||
| 151 | D | 31.9 | Very low | 38.5 | Very low | 126 Ų | 126 | 170.2 Ų | 170.2 | 67% | 0.674 | 82% | 0.816 | S | S | * | * | -173.3 | 147.6 | 54.7 | -152.2 | 11.7 | 0 | 0 | 0 | 113.4 | |||||
| 152 | N | 30.8 | Very low | 39.6 | Very low | 125 Ų | 125 | 170 Ų | 170 | 67% | 0.668 | 82% | 0.817 | S | S | * | * | trans | 45.3 | 115.4 | 147.9 | -77.1 | -36.7 | 0 | 0 | 0 | 122.9 | ||||
| 153 | K | 33.2 | Very low | 41.1 | Very low | 200 Ų | 200 | 167.1 Ų | 167.1 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | 173.9 | 151.4 | 104.2 | -96.6 | 165 | -172 | 174.2 | 0 | 114.2 | |||||
| 154 | E | 42 | Very low | 42.7 | Very low | 185 Ų | 185 | 167.8 Ų | 167.8 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -44.4 | 130.2 | 175.9 | -61.9 | 165.2 | 147.7 | 0 | 0 | 114.1 | ||||
| 155 | E | 38.1 | Very low | 44 | Very low | 191 Ų | 191 | 167.8 Ų | 167.8 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -157.7 | 118.6 | 137.2 | -110.5 | 174.9 | -158 | 0 | 0 | 109.2 | E157 | E155-E157 PolarHBondContact O-N 3.26Š| ||
| 156 | E | 47.4 | Very low | 45.6 | Very low | 188 Ų | 188 | 166.3 Ų | 166.3 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | trans | -57.2 | 125.2 | 162.2 | -69.7 | -178.6 | 131.6 | 0 | 0 | 108.7 | ||||
| 157 | E | 47.3 | Very low | 47.2 | Very low | 158 Ų | 158 | 170.7 Ų | 170.7 | 74% | 0.738 | 82% | 0.817 | S | S | * | * | 169 | 139.4 | 126.2 | -92.2 | -173 | -173.8 | 0 | 0 | 113 | E155 | E155-E157 PolarHBondContact O-N 3.26Š| |||
| 158 | K | 47 | Very low | 48.9 | Very low | 172 Ų | 172 | 169.5 Ų | 169.5 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | 74.7 | 71.1 | 163 | -60.2 | 159.2 | -164.1 | 161.9 | 0 | 117.9 | L160 | K158-L160 PolarHBondContact O-N 2.98Å; K158-L160 VanDerWaalsContact O-N 3.09Å | ||
| 159 | R | 40.5 | Very low | 50.7 | Low | 253 Ų | 253 | 165.5 Ų | 165.5 | 96% | 0.955 | 80% | 0.799 | S | S | * | * | trans | -67.5 | 101.5 | 150.6 | -67.8 | -173.8 | 179 | -152 | -1.7 | 109.4 | A161 | R159-A161 PolarHBondContact O-N 3.46Å; R159-A161 VanDerWaalsContact O-N 3.12Å | ||
| 160 | L | 50 | Low | 52.6 | Low | 166 Ų | 166 | 166 Ų | 166 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | -58.4 | 112.9 | 167 | -67.2 | 171.4 | 0 | 0 | 0 | 108.9 | K158 M162 | K158-L160 PolarHBondContact O-N 2.98Å; K158-L160 VanDerWaalsContact O-N 3.09Å; L160-M162 PolarHBondContact O-N 2.76Å | ||
| 161 | A | 60.3 | Low | 54.4 | Low | 95 Ų | 95 | 161.3 Ų | 161.3 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 123.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | R159 | R159-A161 PolarHBondContact O-N 3.46Å; R159-A161 VanDerWaalsContact O-N 3.12Å |
| 162 | M | 57.6 | Low | 56.9 | Low | 169 Ų | 169 | 159.7 Ų | 159.7 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 139.4 | 174.2 | -72.5 | -95.2 | -101.6 | 0 | 0 | 111.3 | L160 K164 | L160-M162 PolarHBondContact O-N 2.76Å; M162-K164 PolarHBondContact O-N 2.84Å |
| 163 | P | 64.3 | Low | 59.5 | Low | 111 Ų | 111 | 162.6 Ų | 162.6 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 124.6 | -179.7 | 23.6 | -31.9 | 0 | 0 | 0 | 110.6 | K165 | P163-K165 PolarHBondContact O-N 2.88Š|
| 164 | K | 65.8 | Low | 62.2 | Low | 215 Ų | 215 | 161.2 Ų | 161.2 | 94% | 0.935 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -69.8 | 8.8 | -179.6 | -67.9 | 177.7 | 177.3 | 172.1 | 0 | 114.5 | M162 | M162-K164 PolarHBondContact O-N 2.84Š|
| 165 | K | 66.1 | Low | 64.4 | Low | 175 Ų | 175 | 156.2 Ų | 156.2 | 76% | 0.761 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -114.9 | 128 | -179.7 | -64.1 | -178.1 | -178.7 | 178.9 | 0 | 107.8 | P163 R167 | P163-K165 PolarHBondContact O-N 2.88Å; K165-R167 PolarHBondContact O-N 2.94Å; K165-R167 VanDerWaalsContact O-N 3.15Å |
| 166 | P | 62.2 | Low | 66.7 | Low | 116 Ų | 116 | 152 Ų | 152 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | trans | -60.3 | 124.1 | 173.6 | 26.9 | -32 | 0 | 0 | 0 | 107.4 | D168 | P166-D168 PolarHBondContact O-N 2.94Š| ||
| 167 | R | 66.4 | Low | 68.6 | Low | 232 Ų | 232 | 146.5 Ų | 146.5 | 88% | 0.875 | 71% | 0.713 | S | S | * | * | trans | -55.2 | 130 | 166.1 | -153.1 | 173.3 | -172.3 | -134.2 | 3 | 105.9 | K165 L169 | K165-R167 PolarHBondContact O-N 2.94Å; K165-R167 VanDerWaalsContact O-N 3.15Å; R167-L169 VanDerWaalsContact C-N 3.25Å; R167-L169 PolarHBondContact O-N 2.8Å | ||
| 168 | D | 68.1 | Low | 70.7 | Confident | 138 Ų | 138 | 144 Ų | 144 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | trans | -63.2 | 90.7 | -178.7 | -77.4 | -34.5 | 0 | 0 | 0 | 109.1 | P166 I170 | P166-D168 PolarHBondContact O-N 2.94Å; D168-I170 PolarHBondContact O-N 3.06Å | ||
| 169 | L | 72.6 | Confident | 72.7 | Confident | 121 Ų | 121 | 138.8 Ų | 138.8 | 63% | 0.634 | 69% | 0.687 | S | S | * | * | trans | -55.4 | 132.1 | 170.6 | -68.4 | 151.8 | 0 | 0 | 0 | 106.6 | R167 M171 R176 | R167-L169 VanDerWaalsContact C-N 3.25Å; R167-L169 PolarHBondContact O-N 2.8Å; L169-M171 HydrophobicContact CB-CG 3.89Å; L169-M171 PolarHBondContact O-N 2.82Å; L169-R176 PolarHBondContact O-NH2 3.12Å | ||
| 170 | I | 74.5 | Confident | 74.8 | Confident | 181 Ų | 181 | 131 Ų | 131 | 93% | 0.928 | 67% | 0.667 | S | S | * | * | trans | -67.8 | 79.7 | 177.3 | -55.6 | 172.6 | 0 | 0 | 0 | 107.2 | D168 | D168-I170 PolarHBondContact O-N 3.06Š| ||
| 171 | M | 75.6 | Confident | 76.7 | Confident | 71 Ų | 71 | 125.4 Ų | 125.4 | 35% | 0.35 | 65% | 0.645 | S | S | . | * | trans | -107.9 | 137.8 | 177.1 | -62 | -154.7 | -63.7 | 0 | 0 | 108 | L169 I175 R176 | L169-M171 HydrophobicContact CB-CG 3.89Å; L169-M171 PolarHBondContact O-N 2.82Å; M171-I175 HydrophobicContact CE-CG2 4.49Å; M171-I175 HydrophobicContact SD-CG2 3.93Å; M171-R176 HydrophobicContact CB-CG 3.86Å; M171-R176 HydrophobicContact CE-CG 4.16Å; M171-R176 PolarHBondContact O-NE 3.06Å; M171-R176 VanDerWaalsContact O-NE 3.11Å | ||
| 172 | N | 85.3 | Confident | 78 | Confident | 91 Ų | 91 | 125.8 Ų | 125.8 | 49% | 0.487 | 63% | 0.634 | S | S | . | * | trans | -60.6 | 154.2 | 175.4 | 68.2 | 14.3 | 0 | 0 | 0 | 110.9 | K174 I175 R176 | N172-K174 PolarHBondContact O-N 3.21Å; N172-K174 VanDerWaalsContact O-N 3.16Å; N172-I175 PolarHBondContact O-N 3Å; N172-I175 WeakPolarHBondContact OD1-CB 3.42Å; N172-I175 WeakPolarHBondContact OD1-CD1 3.45Å; N172-I175 WeakPolarHBondContact OD1-CG1 3.28Å; N172-I175 PolarHBondContact OD1-N 3.21Å; N172-R176 PolarHBondContact O-N 2.96Å; N172-R176 VanDerWaalsContact O-N 3.17Å | ||
| 173 | K | 86.1 | Confident | 79.2 | Confident | 186 Ų | 186 | 120.9 Ų | 120.9 | 81% | 0.809 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -57.1 | -33.9 | -176.6 | -65.7 | 177.9 | -179.5 | 175.9 | 0 | 112.3 | S177 | K173-S177 PolarHBondContact O-N 3.1Å; K173-S177 PolarHBondContact O-OG 3.32Å |
| 174 | K | 88.8 | Confident | 79.9 | Confident | 172 Ų | 172 | 117.7 Ų | 117.7 | 75% | 0.748 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.6 | -50.3 | 178.7 | -66.1 | -176.2 | 179.6 | -179.8 | 0 | 111.6 | N172 R176 S177 L178 | N172-K174 PolarHBondContact O-N 3.21Å; N172-K174 VanDerWaalsContact O-N 3.16Å; K174-R176 VanDerWaalsContact C-N 3.35Å; K174-R176 PolarHBondContact O-N 3.37Å; K174-S177 PolarHBondContact O-N 2.92Å; K174-S177 PolarHBondContact O-OG 3.28Å; K174-L178 PolarHBondContact O-N 2.86Å |
| 175 | I | 89.1 | Confident | 80.2 | Confident | 80 Ų | 80 | 111.5 Ų | 111.5 | 41% | 0.41 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.2 | -41 | 178.9 | -68 | 164.4 | 0 | 0 | 0 | 110.8 | M171 N172 S177 L178 T179 | M171-I175 HydrophobicContact CE-CG2 4.49Å; M171-I175 HydrophobicContact SD-CG2 3.93Å; N172-I175 PolarHBondContact O-N 3Å; N172-I175 WeakPolarHBondContact OD1-CB 3.42Å; N172-I175 WeakPolarHBondContact OD1-CD1 3.45Å; N172-I175 WeakPolarHBondContact OD1-CG1 3.28Å; N172-I175 PolarHBondContact OD1-N 3.21Å; I175-S177 PolarHBondContact O-N 3.16Å; I175-L178 PolarHBondContact O-N 3.45Å; I175-T179 PolarHBondContact O-N 2.91Å; I175-T179 PolarHBondContact O-OG1 3.21Å |
| 176 | R | 85.6 | Confident | 80.5 | Confident | 102 Ų | 102 | 107.5 Ų | 107.5 | 39% | 0.385 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.8 | -45.3 | 175.4 | -68.2 | 179.3 | 176.5 | 175.9 | 0.8 | 112.1 | L169 M171 N172 K174 T179 T180 | L169-R176 PolarHBondContact O-NH2 3.12Å; M171-R176 HydrophobicContact CB-CG 3.86Å; M171-R176 HydrophobicContact CE-CG 4.16Å; M171-R176 PolarHBondContact O-NE 3.06Å; M171-R176 VanDerWaalsContact O-NE 3.11Å; N172-R176 PolarHBondContact O-N 2.96Å; N172-R176 VanDerWaalsContact O-N 3.17Å; K174-R176 VanDerWaalsContact C-N 3.35Å; K174-R176 PolarHBondContact O-N 3.37Å; R176-T179 WeakPolarHBondContact CA-OG1 3.46Å; R176-T179 PolarHBondContact O-OG1 3.18Å; R176-T180 WeakPolarHBondContact O-CG2 3.27Å; R176-T180 PolarHBondContact O-N 3.37Å; R176-T180 VanDerWaalsContact O-N 3.07Å; R176-T180 PolarHBondContact O-OG1 2.89Å |
| 177 | S | 87.9 | Confident | 80.8 | Confident | 72 Ų | 72 | 104.4 Ų | 104.4 | 50% | 0.503 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.4 | -39.3 | 178.2 | 71.5 | 0 | 0 | 0 | 0 | 112.5 | K173 K174 I175 T180 A181 | K173-S177 PolarHBondContact O-N 3.1Å; K173-S177 PolarHBondContact O-OG 3.32Å; K174-S177 PolarHBondContact O-N 2.92Å; K174-S177 PolarHBondContact O-OG 3.28Å; I175-S177 PolarHBondContact O-N 3.16Å; S177-T180 WeakPolarHBondContact CA-OG1 3.41Å; S177-T180 PolarHBondContact O-OG1 3.39Å; S177-A181 WeakPolarHBondContact O-CB 3.46Å; S177-A181 PolarHBondContact O-N 3.29Å |
| 178 | L | 91.3 | Very high | 80.7 | Confident | 105 Ų | 105 | 100.6 Ų | 100.6 | 55% | 0.55 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.5 | -47.1 | 177.3 | -170.8 | 100.9 | 0 | 0 | 0 | 111.4 | K174 I175 T180 A181 L182 | K174-L178 PolarHBondContact O-N 2.86Å; I175-L178 PolarHBondContact O-N 3.45Å; L178-T180 PolarHBondContact O-N 3.19Å; L178-A181 PolarHBondContact O-N 3.3Å; L178-L182 HydrophobicContact CD2-CD1 3.85Å; L178-L182 HydrophobicContact CG-CD1 3.95Å; L178-L182 HydrophobicContact CG-CG 4.42Å; L178-L182 WeakPolarHBondContact O-CB 3.37Å; L178-L182 VanDerWaalsContact O-CG 3.26Å; L178-L182 WeakPolarHBondContact O-CG 3.38Å; L178-L182 PolarHBondContact O-N 2.86Å |
| 179 | T | 88.1 | Confident | 80.3 | Confident | 64 Ų | 64 | 104.7 Ų | 104.7 | 39% | 0.393 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.9 | -38.3 | -179.7 | 28.3 | 0 | 0 | 0 | 0 | 112.6 | I175 R176 S183 | I175-T179 PolarHBondContact O-N 2.91Å; I175-T179 PolarHBondContact O-OG1 3.21Å; R176-T179 WeakPolarHBondContact CA-OG1 3.46Å; R176-T179 PolarHBondContact O-OG1 3.18Å; T179-S183 WeakPolarHBondContact O-CB 3.03Å; T179-S183 PolarHBondContact O-N 2.8Å; T179-S183 PolarHBondContact O-OG 2.66Å |
| 180 | T | 85.6 | Confident | 79.7 | Confident | 88 Ų | 88 | 109.2 Ų | 109.2 | 54% | 0.54 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.8 | -41.9 | 173.2 | 50.4 | 0 | 0 | 0 | 0 | 112.1 | R176 S177 L178 S183 S184 | R176-T180 WeakPolarHBondContact O-CG2 3.27Å; R176-T180 PolarHBondContact O-N 3.37Å; R176-T180 VanDerWaalsContact O-N 3.07Å; R176-T180 PolarHBondContact O-OG1 2.89Å; S177-T180 WeakPolarHBondContact CA-OG1 3.41Å; S177-T180 PolarHBondContact O-OG1 3.39Å; L178-T180 PolarHBondContact O-N 3.19Å; T180-S183 WeakPolarHBondContact CA-OG 3.29Å; T180-S183 PolarHBondContact O-OG 3.22Å; T180-S184 WeakPolarHBondContact O-CB 3.27Å; T180-S184 PolarHBondContact O-N 3.45Å |
| 181 | A | 88.7 | Confident | 78.9 | Confident | 50 Ų | 50 | 108.3 Ų | 108.3 | 41% | 0.413 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.7 | -49.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S177 L178 S183 S184 C185 | S177-A181 WeakPolarHBondContact O-CB 3.46Å; S177-A181 PolarHBondContact O-N 3.29Å; L178-A181 PolarHBondContact O-N 3.3Å; A181-S183 PolarHBondContact O-N 2.95Å; A181-S184 PolarHBondContact O-N 2.94Å; A181-S184 PolarHBondContact O-OG 3.03Å; A181-C185 PolarHBondContact O-N 3.49Å; A181-C185 PolarHBondContact O-SG 2.91Å; A181-C185 VanDerWaalsContact O-SG 3.34Å |
| 182 | L | 88.6 | Confident | 77.9 | Confident | 103 Ų | 103 | 114.1 Ų | 114.1 | 54% | 0.539 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.1 | -43.9 | -179.9 | -69.8 | 172.8 | 0 | 0 | 0 | 112.5 | L178 S184 C185 T186 | L178-L182 HydrophobicContact CD2-CD1 3.85Å; L178-L182 HydrophobicContact CG-CD1 3.95Å; L178-L182 HydrophobicContact CG-CG 4.42Å; L178-L182 WeakPolarHBondContact O-CB 3.37Å; L178-L182 VanDerWaalsContact O-CG 3.26Å; L178-L182 WeakPolarHBondContact O-CG 3.38Å; L178-L182 PolarHBondContact O-N 2.86Å; L182-S184 VanDerWaalsContact C-N 3.33Å; L182-S184 PolarHBondContact O-N 2.91Å; L182-C185 PolarHBondContact O-N 3.11Å; L182-T186 WeakPolarHBondContact O-CG2 3.21Å; L182-T186 PolarHBondContact O-N 3.18Å; L182-T186 VanDerWaalsContact O-N 3.09Å; L182-T186 PolarHBondContact O-OG1 3Å; L182-T186 VanDerWaalsContact O-OG1 3.12Å |
| 183 | S | 82.8 | Confident | 76.5 | Confident | 65 Ų | 65 | 113.2 Ų | 113.2 | 46% | 0.455 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.9 | -32.9 | 176.6 | 57.6 | 0 | 0 | 0 | 0 | 112.8 | T179 T180 A181 T186 S187 | T179-S183 WeakPolarHBondContact O-CB 3.03Å; T179-S183 PolarHBondContact O-N 2.8Å; T179-S183 PolarHBondContact O-OG 2.66Å; T180-S183 WeakPolarHBondContact CA-OG 3.29Å; T180-S183 PolarHBondContact O-OG 3.22Å; A181-S183 PolarHBondContact O-N 2.95Å; S183-T186 WeakPolarHBondContact CA-OG1 3.42Å; S183-T186 PolarHBondContact O-OG1 2.83Å; S183-T186 VanDerWaalsContact O-OG1 3.1Å; S183-S187 VanDerWaalsContact O-CB 3.3Å; S183-S187 WeakPolarHBondContact O-CB 3.19Å; S183-S187 PolarHBondContact O-N 2.85Å; S183-S187 PolarHBondContact O-OG 3.25Å |
| 184 | S | 78.7 | Confident | 75.1 | Confident | 45 Ų | 45 | 113.6 Ų | 113.6 | 32% | 0.315 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.2 | -38.6 | 174.5 | 82.7 | 0 | 0 | 0 | 0 | 112.6 | T180 A181 L182 S187 K188 | T180-S184 WeakPolarHBondContact O-CB 3.27Å; T180-S184 PolarHBondContact O-N 3.45Å; A181-S184 PolarHBondContact O-N 2.94Å; A181-S184 PolarHBondContact O-OG 3.03Å; L182-S184 VanDerWaalsContact C-N 3.33Å; L182-S184 PolarHBondContact O-N 2.91Å; S184-S187 PolarHBondContact O-OG 3.31Å; S184-S187 VanDerWaalsContact O-OG 3.13Å; S184-K188 WeakPolarHBondContact O-CB 3.22Å; S184-K188 VanDerWaalsContact O-CG 3.26Å; S184-K188 WeakPolarHBondContact O-CG 3.23Å; S184-K188 PolarHBondContact O-N 3.45Å; S184-K188 VanDerWaalsContact O-N 3.09Å |
| 185 | C | 73.1 | Confident | 73.4 | Confident | 85 Ų | 85 | 110.6 Ų | 110.6 | 57% | 0.574 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.5 | -42.9 | 178.5 | -70.4 | 0 | 0 | 0 | 0 | 111.8 | A181 L182 R189 | A181-C185 PolarHBondContact O-N 3.49Å; A181-C185 PolarHBondContact O-SG 2.91Å; A181-C185 VanDerWaalsContact O-SG 3.34Å; L182-C185 PolarHBondContact O-N 3.11Å; C185-R189 PolarHBondContact O-N 3.42Å |
| 186 | T | 71.7 | Confident | 71.6 | Confident | 90 Ų | 90 | 115.8 Ų | 115.8 | 55% | 0.552 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68.8 | -42.2 | 178.4 | 56 | 0 | 0 | 0 | 0 | 112.1 | L182 S183 R189 R190 | L182-T186 WeakPolarHBondContact O-CG2 3.21Å; L182-T186 PolarHBondContact O-N 3.18Å; L182-T186 VanDerWaalsContact O-N 3.09Å; L182-T186 PolarHBondContact O-OG1 3Å; L182-T186 VanDerWaalsContact O-OG1 3.12Å; S183-T186 WeakPolarHBondContact CA-OG1 3.42Å; S183-T186 PolarHBondContact O-OG1 2.83Å; S183-T186 VanDerWaalsContact O-OG1 3.1Å; T186-R189 PolarHBondContact O-N 2.98Å; T186-R190 WeakPolarHBondContact O-CG 3.44Å; T186-R190 PolarHBondContact O-N 3.3Å |
| 187 | S | 69.5 | Low | 69.9 | Low | 52 Ų | 52 | 114.3 Ų | 114.3 | 36% | 0.364 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68 | -37.2 | 178.7 | 61.3 | 0 | 0 | 0 | 0 | 113.4 | S183 S184 R189 R190 R191 | S183-S187 VanDerWaalsContact O-CB 3.3Å; S183-S187 WeakPolarHBondContact O-CB 3.19Å; S183-S187 PolarHBondContact O-N 2.85Å; S183-S187 PolarHBondContact O-OG 3.25Å; S184-S187 PolarHBondContact O-OG 3.31Å; S184-S187 VanDerWaalsContact O-OG 3.13Å; S187-R189 VanDerWaalsContact C-N 3.34Å; S187-R189 PolarHBondContact O-N 3.35Å; S187-R190 PolarHBondContact O-N 3.44Å; S187-R191 WeakPolarHBondContact O-CG 3.4Å; S187-R191 PolarHBondContact O-N 3.25Å |
| 188 | K | 63.8 | Low | 68 | Low | 151 Ų | 151 | 121.6 Ų | 121.6 | 66% | 0.657 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63.8 | -37.5 | 173.9 | -75.9 | 179.8 | -178.8 | 177 | 0 | 112.2 | S184 R190 R191 K192 | S184-K188 WeakPolarHBondContact O-CB 3.22Å; S184-K188 VanDerWaalsContact O-CG 3.26Å; S184-K188 WeakPolarHBondContact O-CG 3.23Å; S184-K188 PolarHBondContact O-N 3.45Å; S184-K188 VanDerWaalsContact O-N 3.09Å; K188-R190 VanDerWaalsContact C-N 3.29Å; K188-R190 PolarHBondContact O-N 2.87Å; K188-R191 PolarHBondContact O-N 2.74Å; K188-K192 PolarHBondContact O-N 2.79Å |
| 189 | R | 60.2 | Low | 65.7 | Low | 224 Ų | 224 | 122.7 Ų | 122.7 | 85% | 0.845 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.1 | -33.4 | 174.9 | -159.4 | 174.9 | 178.4 | -167.4 | -0.7 | 111.9 | C185 T186 S187 | C185-R189 PolarHBondContact O-N 3.42Å; T186-R189 PolarHBondContact O-N 2.98Å; S187-R189 VanDerWaalsContact C-N 3.34Å; S187-R189 PolarHBondContact O-N 3.35Å |
| 190 | R | 59.5 | Low | 63.9 | Low | 216 Ų | 216 | 131.2 Ų | 131.2 | 82% | 0.815 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -79.4 | -28.6 | 175.5 | -58.9 | -160.1 | 83.3 | -168.5 | 6.4 | 114.3 | T186 S187 K188 | T186-R190 WeakPolarHBondContact O-CG 3.44Å; T186-R190 PolarHBondContact O-N 3.3Å; S187-R190 PolarHBondContact O-N 3.44Å; K188-R190 VanDerWaalsContact C-N 3.29Å; K188-R190 PolarHBondContact O-N 2.87Å |
| 191 | R | 58.3 | Low | 62.2 | Low | 162 Ų | 162 | 139 Ų | 139 | 61% | 0.611 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -81.9 | -25.1 | -179.5 | -72.7 | -172.9 | -178.7 | -171.1 | 2.3 | 114.5 | S187 K188 G193 K194 Q195 | S187-R191 WeakPolarHBondContact O-CG 3.4Å; S187-R191 PolarHBondContact O-N 3.25Å; K188-R191 PolarHBondContact O-N 2.74Å; R191-G193 PolarHBondContact O-N 3.25Å; R191-K194 PolarHBondContact O-N 2.82Å; R191-Q195 PolarHBondContact O-N 3.01Å |
| 192 | K | 53.4 | Low | 59.8 | Low | 193 Ų | 193 | 140.2 Ų | 140.2 | 84% | 0.839 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -15.6 | -179.8 | -156 | 164.2 | -176.8 | 176.8 | 0 | 113.9 | K188 | K188-K192 PolarHBondContact O-N 2.79Š|
| 193 | G | 55.8 | Low | 57.4 | Low | 73 Ų | 73 | 146.6 Ų | 146.6 | 75% | 0.753 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | R191 | R191-G193 PolarHBondContact O-N 3.25Š|
| 194 | K | 57.2 | Low | 55.2 | Low | 194 Ų | 194 | 155 Ų | 155 | 84% | 0.843 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.5 | -1.3 | -172.4 | -84.3 | -164.2 | 175.7 | -176.4 | 0 | 117 | R191 | R191-K194 PolarHBondContact O-N 2.82Š|
| 195 | Q | 52.9 | Low | 53.5 | Low | 108 Ų | 108 | 158.2 Ų | 158.2 | 51% | 0.505 | 75% | 0.747 | S | S | . | * | trans | -103 | -1.3 | -172.4 | -142.6 | 173.7 | -11.2 | 0 | 0 | 115.7 | R191 G197 | R191-Q195 PolarHBondContact O-N 3.01Å; Q195-G197 PolarHBondContact O-N 3.31Å; Q195-G197 VanDerWaalsContact O-N 3.17Å | ||
| 196 | E | 50.2 | Low | 52.1 | Low | 190 Ų | 190 | 161.5 Ų | 161.5 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | 1.7 | -179.7 | -149 | 171.3 | 176.5 | 0 | 0 | 114 | ||
| 197 | G | 51.1 | Low | 50.8 | Low | 70 Ų | 70 | 166.5 Ų | 166.5 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | 3.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | Q195 | Q195-G197 PolarHBondContact O-N 3.31Å; Q195-G197 VanDerWaalsContact O-N 3.17Å |
| 198 | R | 47.9 | Very low | 49.5 | Very low | 225 Ų | 225 | 175.8 Ų | 175.8 | 85% | 0.849 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -129.6 | 5.5 | -171.3 | -85 | -165.7 | -178.3 | -151.7 | 1.5 | 118.6 | ||
| 199 | D | 43.7 | Very low | 48.6 | Very low | 129 Ų | 129 | 174.7 Ų | 174.7 | 69% | 0.69 | 81% | 0.809 | S | S | * | * | trans | -120.6 | 54.7 | 178.4 | -64.4 | -38.2 | 0 | 0 | 0 | 112.5 | ||||
| 200 | R | 48.9 | Very low | 47.5 | Very low | 243 Ų | 243 | 167.4 Ų | 167.4 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | trans | -120.5 | 35.8 | 170.6 | -75.3 | -148.9 | -172 | -146.8 | 3.5 | 114.1 | ||||
| 201 | R | 50.5 | Low | 46.8 | Very low | 251 Ų | 251 | 163.5 Ų | 163.5 | 95% | 0.947 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -148.9 | 103 | 159.8 | -64.9 | -165.8 | -154.2 | -80.1 | 2.4 | 109.6 | ||
| 202 | G | 38 | Very low | 45.9 | Very low | 76 Ų | 76 | 162.3 Ų | 162.3 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | S | Bend | trans | 138.6 | 107.1 | 164 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 203 | R | 37.3 | Very low | 45.3 | Very low | 237 Ų | 237 | 161.9 Ų | 161.9 | 89% | 0.894 | 82% | 0.815 | S | S | * | * | trans | 73.5 | 105 | 151.4 | -153.3 | 177.3 | -75 | -90.4 | 5.9 | 117.7 | ||||
| 204 | W | 37.6 | Very low | 44.7 | Very low | 242 Ų | 242 | 161.3 Ų | 161.3 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | trans | -71.3 | 136.1 | 157.1 | -76.8 | 13.9 | 0 | 0 | 0 | 109.8 | ||||
| 205 | P | 42.9 | Very low | 43.8 | Very low | 111 Ų | 111 | 158.4 Ų | 158.4 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | trans | -104 | 124.8 | 148.1 | 30.8 | -19.2 | 0 | 0 | 0 | 109 | K207 | P205-K207 PolarHBondContact O-N 2.88Š| ||
| 206 | D | 44.4 | Very low | 43.3 | Very low | 155 Ų | 155 | 162 Ų | 162 | 83% | 0.829 | 82% | 0.823 | S | S | * | * | trans | -52.6 | 110.6 | 161.2 | -85.9 | -43.2 | 0 | 0 | 0 | 109.1 | ||||
| 207 | K | 44.8 | Very low | 43.3 | Very low | 194 Ų | 194 | 163.5 Ų | 163.5 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | trans | -157.8 | 114.3 | 160.5 | -103.6 | 160.9 | -165.6 | -166.2 | 0 | 108.2 | P205 | P205-K207 PolarHBondContact O-N 2.88Š| ||
| 208 | R | 41.7 | Very low | 43.6 | Very low | 248 Ų | 248 | 164.1 Ų | 164.1 | 94% | 0.936 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 132.1 | 174.7 | -61.3 | 176.4 | 175.7 | -171.5 | -2.2 | 109.8 | ||
| 209 | P | 44 | Very low | 44 | Very low | 128 Ų | 128 | 157.1 Ų | 157.1 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 124.4 | 173.5 | 31.2 | -27.6 | 0 | 0 | 0 | 109.7 | ||
| 210 | G | 37.5 | Very low | 44.8 | Very low | 71 Ų | 71 | 161.9 Ų | 161.9 | 73% | 0.732 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 143.1 | 163 | 0 | 0 | 0 | 0 | 0 | 110.7 | T212 | G210-T212 PolarHBondContact O-N 3.21Š|
| 211 | V | 44.5 | Very low | 46 | Very low | 133 Ų | 133 | 153.6 Ų | 153.6 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | trans | -41.1 | 118.7 | 172.7 | 172.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 212 | T | 40.1 | Very low | 47.3 | Very low | 138 Ų | 138 | 144.7 Ų | 144.7 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | trans | -146.9 | 141.8 | 142.6 | 43.5 | 0 | 0 | 0 | 0 | 109 | G210 | G210-T212 PolarHBondContact O-N 3.21Š| ||
| 213 | E | 39.9 | Very low | 49 | Very low | 183 Ų | 183 | 149.5 Ų | 149.5 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -82.2 | 146.4 | -154.9 | -60.5 | 174.5 | 144.9 | 0 | 0 | 113.6 | ||||
| 214 | G | 44.5 | Very low | 50.8 | Low | 62 Ų | 62 | 145.4 Ų | 145.4 | 64% | 0.639 | 77% | 0.774 | S | S | * | * | trans | 56.2 | 84 | 135.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 215 | V | 38 | Very low | 52.7 | Low | 132 Ų | 132 | 138.7 Ų | 138.7 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | trans | -134.8 | 89.5 | 141.3 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | R217 | V215-R217 PolarHBondContact O-N 3.28Å; V215-R217 VanDerWaalsContact O-N 3.1Å | ||
| 216 | H | 42 | Very low | 54.4 | Low | 183 Ų | 183 | 141 Ų | 141 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | trans | -67.5 | 102.9 | 173 | -70.2 | -76.7 | 0 | 0 | 0 | 110.2 | G218 | H216-G218 PolarHBondContact O-N 2.8Å; H216-G218 VanDerWaalsContact O-N 3.14Å | ||
| 217 | R | 50.9 | Low | 55.9 | Low | 223 Ų | 223 | 143 Ų | 143 | 84% | 0.842 | 74% | 0.743 | S | S | * | * | trans | -78.5 | 90.4 | 161.1 | -68.2 | -168.6 | -179.2 | -170.9 | 0.6 | 108.5 | V215 G219 | V215-R217 PolarHBondContact O-N 3.28Å; V215-R217 VanDerWaalsContact O-N 3.1Å; R217-G219 PolarHBondContact O-N 3.11Å | ||
| 218 | G | 55.8 | Low | 57.3 | Low | 83 Ų | 83 | 142.9 Ų | 142.9 | 86% | 0.856 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | 124.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | H216 | H216-G218 PolarHBondContact O-N 2.8Å; H216-G218 VanDerWaalsContact O-N 3.14Å |
| 219 | G | 58 | Low | 58.6 | Low | 78 Ų | 78 | 137.9 Ų | 137.9 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 137.6 | -9.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | R217 | R217-G219 PolarHBondContact O-N 3.11Š|
| 220 | R | 59.5 | Low | 59.9 | Low | 229 Ų | 229 | 137.1 Ų | 137.1 | 86% | 0.864 | 72% | 0.718 | S | S | * | * | trans | -113.8 | 78 | 177.2 | -78.4 | -177.5 | 175.9 | 168 | -0.2 | 112.4 | ||||
| 221 | T | 74.9 | Confident | 61.1 | Low | 68 Ų | 68 | 136.2 Ų | 136.2 | 42% | 0.417 | 71% | 0.708 | S | S | . | * | trans | -65.5 | 133 | 161.9 | 63.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 222 | S | 76.9 | Confident | 62 | Low | 64 Ų | 64 | 138.4 Ų | 138.4 | 45% | 0.448 | 71% | 0.707 | S | S | . | * | trans | -68.7 | 155.3 | 175 | 84.8 | 0 | 0 | 0 | 0 | 111.5 | K224 Q225 R226 | S222-K224 PolarHBondContact O-N 3.36Å; S222-K224 VanDerWaalsContact O-N 3.13Å; S222-K224 PolarHBondContact OG-N 2.94Å; S222-Q225 WeakPolarHBondContact O-CB 3.19Å; S222-Q225 PolarHBondContact O-N 3.43Å; S222-Q225 PolarHBondContact OG-N 3.33Å; S222-R226 PolarHBondContact O-N 2.87Å | ||
| 223 | K | 73.8 | Confident | 63 | Low | 177 Ų | 177 | 140.8 Ų | 140.8 | 77% | 0.77 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -54.3 | -33.1 | 176.7 | -173.2 | 167.3 | -176.4 | 165.2 | 0 | 112.6 | R227 | K223-R227 PolarHBondContact O-N 3.31Å |
| 224 | K | 75 | Confident | 63.9 | Low | 152 Ų | 152 | 137.1 Ų | 137.1 | 66% | 0.661 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -70.5 | -37.8 | 176.4 | -170.4 | 176.8 | -178.8 | -179.5 | 0 | 112.1 | S222 R228 | S222-K224 PolarHBondContact O-N 3.36Å; S222-K224 VanDerWaalsContact O-N 3.13Å; S222-K224 PolarHBondContact OG-N 2.94Å; K224-R228 PolarHBondContact O-N 3.21Å |
| 225 | Q | 78.5 | Confident | 64.4 | Low | 100 Ų | 100 | 141 Ų | 141 | 47% | 0.467 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -69.3 | -40.8 | 178.4 | -169.8 | 171.1 | -17.9 | 0 | 0 | 111.7 | S222 R228 Q229 | S222-Q225 WeakPolarHBondContact O-CB 3.19Å; S222-Q225 PolarHBondContact O-N 3.43Å; S222-Q225 PolarHBondContact OG-N 3.33Å; Q225-R228 PolarHBondContact O-N 3.2Å; Q225-Q229 PolarHBondContact O-N 2.98Å |
| 226 | R | 78.1 | Confident | 65 | Low | 161 Ų | 161 | 142.6 Ų | 142.6 | 61% | 0.608 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -60.5 | -47.8 | 173.6 | -170 | -177.7 | -60.6 | -163.3 | -1.1 | 112 | S222 R228 Q229 T230 | S222-R226 PolarHBondContact O-N 2.87Å; R226-R228 VanDerWaalsContact C-N 3.25Å; R226-R228 PolarHBondContact O-N 2.63Å; R226-Q229 PolarHBondContact O-N 2.97Å; R226-Q229 VanDerWaalsContact O-N 3.1Å; R226-T230 HydrophobicContact CG-CG2 4.48Å; R226-T230 PolarHBondContact O-N 2.82Å; R226-T230 PolarHBondContact O-OG1 3.3Å |
| 227 | R | 74.7 | Confident | 65.6 | Low | 195 Ų | 195 | 142 Ų | 142 | 74% | 0.736 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -58.7 | -34.3 | 177.3 | -96.4 | -176.3 | 155.5 | -172.5 | -6.6 | 113.5 | K223 G231 | K223-R227 PolarHBondContact O-N 3.31Å; R227-G231 WeakPolarHBondContact O-CA 3.27Å; R227-G231 PolarHBondContact O-N 2.93Å; R227-G231 VanDerWaalsContact O-N 3.07Å |
| 228 | R | 74 | Confident | 65.6 | Low | 192 Ų | 192 | 142.8 Ų | 142.8 | 73% | 0.725 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -72.3 | -32.5 | 176.8 | -79.2 | -177.5 | 143.9 | -168 | -7.5 | 112.9 | K224 Q225 R226 | K224-R228 PolarHBondContact O-N 3.21Å; Q225-R228 PolarHBondContact O-N 3.2Å; R226-R228 VanDerWaalsContact C-N 3.25Å; R226-R228 PolarHBondContact O-N 2.63Å |
| 229 | Q | 70.1 | Confident | 66.1 | Low | 143 Ų | 143 | 145.8 Ų | 145.8 | 67% | 0.668 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -76.8 | -42.5 | 177.4 | -73.2 | -171.9 | -12.4 | 0 | 0 | 112.2 | Q225 R226 | Q225-Q229 PolarHBondContact O-N 2.98Å; R226-Q229 PolarHBondContact O-N 2.97Å; R226-Q229 VanDerWaalsContact O-N 3.1Å |
| 230 | T | 70.4 | Confident | 66.5 | Low | 113 Ų | 113 | 149.4 Ų | 149.4 | 69% | 0.693 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -90.5 | -1.5 | -177 | 66.2 | 0 | 0 | 0 | 0 | 113.8 | R226 | R226-T230 HydrophobicContact CG-CG2 4.48Å; R226-T230 PolarHBondContact O-N 2.82Å; R226-T230 PolarHBondContact O-OG1 3.3Å |
| 231 | G | 63.8 | Low | 66.9 | Low | 51 Ų | 51 | 144.9 Ų | 144.9 | 53% | 0.526 | 70% | 0.704 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.8 | 4.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R227 K233 | R227-G231 WeakPolarHBondContact O-CA 3.27Å; R227-G231 PolarHBondContact O-N 2.93Å; R227-G231 VanDerWaalsContact O-N 3.07Å; G231-K233 PolarHBondContact O-N 2.82Å |
| 232 | K | 63.8 | Low | 66.4 | Low | 179 Ų | 179 | 149.5 Ų | 149.5 | 78% | 0.778 | 72% | 0.721 | S | S | * | * | trans | -79.9 | 106.3 | 171.1 | -68.2 | -170.6 | 176.8 | -172.4 | 0 | 107.8 | T234 | K232-T234 PolarHBondContact O-N 3.02Š| ||
| 233 | K | 61 | Low | 65.8 | Low | 189 Ų | 189 | 154.8 Ų | 154.8 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | trans | -61.7 | 117.4 | 164.7 | -67.3 | -177.6 | 175.3 | -173.7 | 0 | 106.6 | G231 D235 | G231-K233 PolarHBondContact O-N 2.82Å; K233-D235 PolarHBondContact O-N 2.93Å | ||
| 234 | T | 57.6 | Low | 65.2 | Low | 106 Ų | 106 | 153.3 Ų | 153.3 | 65% | 0.65 | 74% | 0.736 | S | S | * | * | trans | -72.3 | 107.8 | 161.2 | 42.9 | 0 | 0 | 0 | 0 | 105.9 | K232 H236 | K232-T234 PolarHBondContact O-N 3.02Å; T234-H236 PolarHBondContact O-N 3.19Å; T234-H236 VanDerWaalsContact O-N 3.16Å | ||
| 235 | D | 55.3 | Low | 64.5 | Low | 142 Ų | 142 | 153.4 Ų | 153.4 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | trans | -64.5 | 112.8 | 165.5 | -63.4 | -35 | 0 | 0 | 0 | 106.3 | K233 L237 | K233-D235 PolarHBondContact O-N 2.93Å; D235-L237 PolarHBondContact O-N 2.9Å | ||
| 236 | H | 51.6 | Low | 63.5 | Low | 167 Ų | 167 | 157.5 Ų | 157.5 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | -77 | 115.9 | 169.4 | -68 | -32.8 | 0 | 0 | 0 | 106.7 | T234 | T234-H236 PolarHBondContact O-N 3.19Å; T234-H236 VanDerWaalsContact O-N 3.16Å | ||
| 237 | L | 54.9 | Low | 62.2 | Low | 170 Ų | 170 | 157.3 Ų | 157.3 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | trans | -84.1 | 132 | 166.7 | -76.2 | 163.4 | 0 | 0 | 0 | 107.5 | D235 | D235-L237 PolarHBondContact O-N 2.9Š| ||
| 238 | D | 49.8 | Very low | 61.1 | Low | 240 Ų | 240 | 153.8 Ų | 153.8 | 100% | 1.283 | 78% | 0.779 | S | S | * | * | trans | -56.5 | 0 | 178.1 | -64.9 | -47 | 0 | 0 | 0 | 113.6 |
Retrieved 238 of 238 residues in 54.3 ms
(Link to these results)