| 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 | 35.3 | Very low | 38.4 | Very low | 237 Ų | 237 | 169.9 Ų | 169.9 | 100% | 1.167 | 86% | 0.859 | S | S | * | * | 0 | 147.8 | 0 | -63.7 | 157.8 | 72 | 0 | 0 | 107.9 | |||||
| 2 | P | 45.8 | Very low | 37.9 | Very low | 125 Ų | 125 | 161.5 Ų | 161.5 | 81% | 0.812 | 85% | 0.847 | S | S | * | * | cis | -118.8 | -137.5 | -19.1 | 33.3 | -10.8 | 0 | 0 | 0 | 110.6 | ||||
| 3 | P | 51.6 | Low | 37.4 | Very low | 101 Ų | 101 | 157.2 Ų | 157.2 | 66% | 0.656 | 85% | 0.849 | S | S | * | * | -139.3 | -173.8 | -106.4 | 44 | -25.3 | 0 | 0 | 0 | 118.7 | |||||
| 4 | K | 39.3 | Very low | 36.6 | Very low | 194 Ų | 194 | 160.3 Ų | 160.3 | 84% | 0.843 | 85% | 0.85 | S | S | * | * | trans | 99.8 | 149.3 | 165.1 | -62.9 | 160.8 | -178.1 | 173.4 | 0 | 114.9 | ||||
| 5 | K | 37.8 | Very low | 36 | Very low | 206 Ų | 206 | 157.1 Ų | 157.1 | 90% | 0.896 | 85% | 0.846 | S | S | * | * | cis | -138.2 | -173.1 | 18.4 | -138.5 | 162.7 | -179 | 179.9 | 0 | 113.2 | ||||
| 6 | K | 36.8 | Very low | 35.7 | Very low | 204 Ų | 204 | 154.3 Ų | 154.3 | 89% | 0.887 | 84% | 0.842 | S | S | * | * | trans | -134.1 | 174.3 | -169.6 | -105.7 | -166.4 | 171.9 | 177.2 | 0 | 113.4 | ||||
| 7 | P | 44.4 | Very low | 35.2 | Very low | 126 Ų | 126 | 153 Ų | 153 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | trans | -117.1 | -175 | -155.6 | 45.2 | -39.2 | 0 | 0 | 0 | 117 | ||||
| 8 | G | 37.3 | Very low | 34.9 | Very low | 72 Ų | 72 | 150.8 Ų | 150.8 | 74% | 0.742 | 84% | 0.838 | S | S | * | * | trans | -166.5 | 155.6 | 157.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 9 | K | 32.6 | Very low | 34.6 | Very low | 199 Ų | 199 | 148.4 Ų | 148.4 | 87% | 0.865 | 83% | 0.833 | S | S | * | * | cis | 121.3 | 115.1 | -10.3 | -175.2 | -175.2 | -174.9 | -180 | 0 | 114.9 | ||||
| 10 | K | 32.4 | Very low | 34.3 | Very low | 196 Ų | 196 | 151.5 Ų | 151.5 | 85% | 0.852 | 84% | 0.837 | S | S | * | * | trans | 109.5 | 160.8 | 175.3 | -75.3 | -176.6 | 177.5 | -179.7 | 0 | 114.9 | ||||
| 11 | K | 28.8 | Very low | 34.2 | Very low | 209 Ų | 209 | 149.8 Ų | 149.8 | 91% | 0.909 | 84% | 0.835 | S | S | * | * | cis | -179.4 | 149 | -37.3 | -125.4 | -167.7 | -179.8 | -166.8 | 0 | 110.6 | ||||
| 12 | G | 32.5 | Very low | 34.1 | Very low | 69 Ų | 69 | 148.3 Ų | 148.3 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | trans | 152.2 | 133 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 13 | A | 31.5 | Very low | 33.8 | Very low | 106 Ų | 106 | 148.1 Ų | 148.1 | 88% | 0.876 | 82% | 0.819 | S | S | * | * | cis | 79.2 | 142.8 | 18 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 14 | K | 26.6 | Very low | 33.1 | Very low | 200 Ų | 200 | 149 Ų | 149 | 87% | 0.87 | 83% | 0.825 | S | S | * | * | cis | -175.7 | 172.8 | -26.1 | -156.2 | -178.7 | -179 | -174.7 | 0 | 106.9 | ||||
| 15 | S | 27.3 | Very low | 33.2 | Very low | 112 Ų | 112 | 146 Ų | 146 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | trans | 77.7 | 160.1 | 168.1 | 86.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 16 | S | 30.6 | Very low | 33.3 | Very low | 112 Ų | 112 | 141.8 Ų | 141.8 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | cis | -150.8 | 174.4 | 5.3 | 35.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 17 | T | 27.7 | Very low | 33.9 | Very low | 133 Ų | 133 | 135 Ų | 135 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | trans | -85.8 | 178.1 | -173.9 | 42.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 18 | S | 30.1 | Very low | 34.3 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | 100.6 | 163.5 | 156.6 | 80.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 19 | S | 28.2 | Very low | 35.1 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | -172.2 | 138.7 | -55.1 | 56.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 20 | K | 29.1 | Very low | 35.8 | Very low | 210 Ų | 210 | 128.1 Ų | 128.1 | 91% | 0.913 | 76% | 0.757 | S | S | * | * | trans | 29.7 | 120.5 | 161.5 | -71.5 | -177.2 | 177.1 | 177.9 | 0 | 120 | ||||
| 21 | S | 33.3 | Very low | 36.5 | Very low | 116 Ų | 116 | 121.8 Ų | 121.8 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | -155.7 | 168.6 | 124.5 | 64.3 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 22 | K | 32.3 | Very low | 37.8 | Very low | 205 Ų | 205 | 116.5 Ų | 116.5 | 89% | 0.891 | 72% | 0.723 | S | S | * | * | trans | -111.6 | 134.2 | 170.7 | -77.2 | -174.2 | 174.7 | -174 | 0 | 109.1 | ||||
| 23 | T | 38.6 | Very low | 38.8 | Very low | 122 Ų | 122 | 118.7 Ų | 118.7 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | trans | -131.8 | 159.5 | 162.1 | 38.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 24 | P | 38.3 | Very low | 39.8 | Very low | 119 Ų | 119 | 121.3 Ų | 121.3 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | trans | -70.6 | 140.7 | -172.2 | -16.1 | 31 | 0 | 0 | 0 | 112.1 | V26 | P24-V26 PolarHBondContact O-N 3.29Å; P24-V26 VanDerWaalsContact O-N 3.14Å | ||
| 25 | T | 41.4 | Very low | 40.9 | Very low | 132 Ų | 132 | 113.7 Ų | 113.7 | 81% | 0.81 | 69% | 0.685 | S | S | * | * | trans | -73.6 | 102.4 | 172.7 | -40 | 0 | 0 | 0 | 0 | 109.5 | V27 | T25-V27 HydrophobicContact CG2-CG2 3.91Š| ||
| 26 | V | 39.5 | Very low | 42.4 | Very low | 116 Ų | 116 | 112.1 Ų | 112.1 | 70% | 0.703 | 67% | 0.67 | S | S | * | * | trans | -87.2 | 130.9 | 162.7 | 179.7 | 0 | 0 | 0 | 0 | 107.5 | P24 | P24-V26 PolarHBondContact O-N 3.29Å; P24-V26 VanDerWaalsContact O-N 3.14Å | ||
| 27 | V | 50.3 | Low | 44.1 | Very low | 61 Ų | 61 | 113.5 Ų | 113.5 | 37% | 0.37 | 66% | 0.662 | S | S | . | * | trans | -124.5 | 131.1 | 173.4 | -169.9 | 0 | 0 | 0 | 0 | 106.7 | T25 G29 L47 | T25-V27 HydrophobicContact CG2-CG2 3.91Å; V27-G29 PolarHBondContact O-N 3.23Å; V27-L47 HydrophobicContact CG1-CD1 4.14Å; V27-L47 HydrophobicContact CG1-CD2 4.18Å | ||
| 28 | D | 51.7 | Low | 45.8 | Very low | 103 Ų | 103 | 114.3 Ų | 114.3 | 55% | 0.551 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 45.9 | 24 | -178.8 | -69.7 | 10.7 | 0 | 0 | 0 | 117.9 | V30 H43 | D28-V30 PolarHBondContact O-N 2.78Å; D28-V30 VanDerWaalsContact O-N 3.15Å; D28-H43 IonicContact OD2-CE1 3.88Å; D28-H43 PolarHBondContact OD2-CE1 2.63Å; D28-H43 IonicContact OD2-ND1 2.99Å |
| 29 | G | 55 | Low | 47.4 | Very low | 67 Ų | 67 | 113.4 Ų | 113.4 | 69% | 0.691 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.9 | 4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | V27 | V27-G29 PolarHBondContact O-N 3.23Š|
| 30 | V | 47.2 | Very low | 49.1 | Very low | 84 Ų | 84 | 110.9 Ų | 110.9 | 51% | 0.509 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -112.6 | 143.9 | 178.4 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | D28 T32 M35 | D28-V30 PolarHBondContact O-N 2.78Å; D28-V30 VanDerWaalsContact O-N 3.15Å; V30-T32 PolarHBondContact O-N 2.94Å; V30-M35 HydrophobicContact CB-SD 4.48Å; V30-M35 HydrophobicContact CG1-CG 3.77Å; V30-M35 HydrophobicContact CG1-SD 4.14Å |
| 31 | S | 46 | Very low | 51.1 | Low | 62 Ų | 62 | 105.1 Ų | 105.1 | 43% | 0.434 | 59% | 0.594 | S | S | . | * | trans | -76.1 | 124.8 | 174.6 | -169.4 | 0 | 0 | 0 | 0 | 110.5 | T33 E34 | S31-T33 PolarHBondContact O-N 2.65Å; S31-T33 PolarHBondContact OG-OG1 3.27Å; S31-E34 PolarHBondContact O-N 2.69Å | ||
| 32 | T | 55.8 | Low | 52.8 | Low | 98 Ų | 98 | 105.1 Ų | 105.1 | 60% | 0.601 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | 1.6 | 178 | 52.9 | 0 | 0 | 0 | 0 | 114.3 | V30 L40 | V30-T32 PolarHBondContact O-N 2.94Å; T32-L40 HydrophobicContact CG2-CD2 4.37Å |
| 33 | T | 54.4 | Low | 54.7 | Low | 115 Ų | 115 | 96.2 Ų | 96.2 | 71% | 0.706 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -14.2 | 171.5 | 53.9 | 0 | 0 | 0 | 0 | 114.2 | S31 | S31-T33 PolarHBondContact O-N 2.65Å; S31-T33 PolarHBondContact OG-OG1 3.27Å |
| 34 | E | 53.3 | Low | 56.5 | Low | 161 Ų | 161 | 94.5 Ų | 94.5 | 75% | 0.752 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.4 | -10.2 | -172.6 | -64.5 | -178.2 | 167.1 | 0 | 0 | 113.5 | S31 | S31-E34 PolarHBondContact O-N 2.69Š|
| 35 | M | 49.8 | Very low | 58.5 | Low | 41 Ų | 41 | 93.3 Ų | 93.3 | 20% | 0.202 | 51% | 0.514 | C | S | . | . | trans | -77.9 | 138.2 | 176.3 | -62.6 | 176 | 76.6 | 0 | 0 | 111.4 | V30 E39 L40 H43 | V30-M35 HydrophobicContact CB-SD 4.48Å; V30-M35 HydrophobicContact CG1-CG 3.77Å; V30-M35 HydrophobicContact CG1-SD 4.14Å; M35-E39 HydrophobicContact CB-CB 4.37Å; M35-E39 HydrophobicContact CE-CB 3.94Å; M35-L40 HydrophobicContact CB-CD1 4.33Å; M35-L40 HydrophobicContact CB-CD2 4.2Å; M35-L40 HydrophobicContact CB-CG 3.83Å; M35-L40 HydrophobicContact CE-CD2 4.4Å; M35-L40 HydrophobicContact SD-CD2 3.94Å; M35-L40 HydrophobicContact SD-CG 4.47Å; M35-H43 HydrophobicContact CE-CB 4.15Å | ||
| 36 | T | 58.3 | Low | 60.3 | Low | 79 Ų | 79 | 92.5 Ų | 92.5 | 49% | 0.485 | 50% | 0.497 | S | S | . | . | trans | -71.8 | 165.2 | 171.7 | 65.8 | 0 | 0 | 0 | 0 | 111.5 | E38 E39 L40 | T36-E38 PolarHBondContact O-N 3.11Å; T36-E39 WeakPolarHBondContact CB-OE2 3.43Å; T36-E39 WeakPolarHBondContact CG2-OE2 3.34Å; T36-E39 PolarHBondContact N-OE2 2.99Å; T36-E39 PolarHBondContact O-N 2.99Å; T36-E39 WeakPolarHBondContact OG1-CG 3.32Å; T36-E39 PolarHBondContact OG1-OE2 3.04Å; T36-L40 PolarHBondContact O-N 3.05Å; T36-L40 VanDerWaalsContact O-N 3.11Å | ||
| 37 | K | 66.7 | Low | 62.2 | Low | 140 Ų | 140 | 90.2 Ų | 90.2 | 61% | 0.609 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -55 | -41.1 | -177.1 | 179.3 | -178.9 | 173.5 | -70.4 | 0 | 112.5 | L40 E41 | K37-L40 PolarHBondContact O-N 3.47Å; K37-E41 WeakPolarHBondContact CE-OE1 3.38Å; K37-E41 IonicContact NZ-OE1 2.7Å; K37-E41 PolarHBondContact NZ-OE1 3Å; K37-E41 IonicContact NZ-OE2 3.77Å; K37-E41 PolarHBondContact NZ-OE2 3.39Å; K37-E41 WeakPolarHBondContact O-CG 3.44Å; K37-E41 PolarHBondContact O-N 2.77Å |
| 38 | E | 62.5 | Low | 63.6 | Low | 151 Ų | 151 | 95.6 Ų | 95.6 | 71% | 0.706 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -73.9 | -37.5 | -174.4 | -67.6 | 164.6 | 151.3 | 0 | 0 | 111.2 | T36 E41 E42 | T36-E38 PolarHBondContact O-N 3.11Å; E38-E41 PolarHBondContact O-N 2.92Å; E38-E42 PolarHBondContact O-N 2.93Å |
| 39 | E | 64.6 | Low | 65 | Low | 94 Ų | 94 | 96 Ų | 96 | 44% | 0.439 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.5 | -35.8 | 173.9 | -63.3 | 167.1 | 116.5 | 0 | 0 | 112.3 | M35 T36 H43 | M35-E39 HydrophobicContact CB-CB 4.37Å; M35-E39 HydrophobicContact CE-CB 3.94Å; T36-E39 WeakPolarHBondContact CB-OE2 3.43Å; T36-E39 WeakPolarHBondContact CG2-OE2 3.34Å; T36-E39 PolarHBondContact N-OE2 2.99Å; T36-E39 PolarHBondContact O-N 2.99Å; T36-E39 WeakPolarHBondContact OG1-CG 3.32Å; T36-E39 PolarHBondContact OG1-OE2 3.04Å; E39-H43 WeakPolarHBondContact O-CB 3.47Å; E39-H43 PolarHBondContact O-N 3.06Å |
| 40 | L | 62.8 | Low | 66.1 | Low | 52 Ų | 52 | 97 Ų | 97 | 27% | 0.272 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.3 | -38.3 | 172.7 | -77.4 | 166.4 | 0 | 0 | 0 | 112.1 | T32 M35 T36 K37 H43 I44 | T32-L40 HydrophobicContact CG2-CD2 4.37Å; M35-L40 HydrophobicContact CB-CD1 4.33Å; M35-L40 HydrophobicContact CB-CD2 4.2Å; M35-L40 HydrophobicContact CB-CG 3.83Å; M35-L40 HydrophobicContact CE-CD2 4.4Å; M35-L40 HydrophobicContact SD-CD2 3.94Å; M35-L40 HydrophobicContact SD-CG 4.47Å; T36-L40 PolarHBondContact O-N 3.05Å; T36-L40 VanDerWaalsContact O-N 3.11Å; K37-L40 PolarHBondContact O-N 3.47Å; L40-H43 PolarHBondContact O-N 2.91Å; L40-I44 WeakPolarHBondContact O-CB 3.48Å; L40-I44 WeakPolarHBondContact O-CD1 3.45Å; L40-I44 VanDerWaalsContact O-CG1 3.23Å; L40-I44 WeakPolarHBondContact O-CG1 3.46Å; L40-I44 PolarHBondContact O-N 3.17Å |
| 41 | E | 70.5 | Confident | 67.8 | Low | 89 Ų | 89 | 97.2 Ų | 97.2 | 42% | 0.416 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.9 | -40.7 | 176.1 | -76.1 | 172.8 | 157.4 | 0 | 0 | 111.5 | K37 E38 I44 I45 | K37-E41 WeakPolarHBondContact CE-OE1 3.38Å; K37-E41 IonicContact NZ-OE1 2.7Å; K37-E41 PolarHBondContact NZ-OE1 3Å; K37-E41 IonicContact NZ-OE2 3.77Å; K37-E41 PolarHBondContact NZ-OE2 3.39Å; K37-E41 WeakPolarHBondContact O-CG 3.44Å; K37-E41 PolarHBondContact O-N 2.77Å; E38-E41 PolarHBondContact O-N 2.92Å; E41-I44 PolarHBondContact O-N 3.44Å; E41-I45 WeakPolarHBondContact O-CG1 3.4Å; E41-I45 PolarHBondContact O-N 3.43Å |
| 42 | E | 70.1 | Confident | 69.5 | Low | 116 Ų | 116 | 98.5 Ų | 98.5 | 54% | 0.542 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 170.2 | -101.4 | -155.3 | -169.1 | 0 | 0 | 113.3 | E38 I44 I45 R46 | E38-E42 PolarHBondContact O-N 2.93Å; E42-I44 VanDerWaalsContact C-N 3.31Å; E42-I44 PolarHBondContact O-N 3.11Å; E42-I45 WeakPolarHBondContact O-CB 3.23Å; E42-I45 PolarHBondContact O-N 3Å; E42-I45 VanDerWaalsContact O-N 3.11Å; E42-R46 PolarHBondContact O-N 3.5Å; E42-R46 IonicContact OE2-CZ 2.65Å; E42-R46 IonicContact OE2-NE 3.92Å; E42-R46 IonicContact OE2-NH2 2.69Å; E42-R46 PolarHBondContact OE2-NH2 3.44Å |
| 43 | H | 72.3 | Confident | 70.9 | Confident | 18 Ų | 18 | 99.3 Ų | 99.3 | 8% | 0.083 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -66.5 | -35 | -179.3 | -176 | 49 | 0 | 0 | 0 | 111.4 | D28 M35 E39 L40 I45 R46 L47 | D28-H43 IonicContact OD2-CE1 3.88Å; D28-H43 PolarHBondContact OD2-CE1 2.63Å; D28-H43 IonicContact OD2-ND1 2.99Å; M35-H43 HydrophobicContact CE-CB 4.15Å; E39-H43 WeakPolarHBondContact O-CB 3.47Å; E39-H43 PolarHBondContact O-N 3.06Å; L40-H43 PolarHBondContact O-N 2.91Å; H43-I45 VanDerWaalsContact C-N 3.33Å; H43-I45 PolarHBondContact O-N 3.45Å; H43-R46 PolarHBondContact O-N 3.15Å; H43-L47 WeakPolarHBondContact O-CB 3.36Å; H43-L47 WeakPolarHBondContact O-CG 3.4Å; H43-L47 PolarHBondContact O-N 3.49Å |
| 44 | I | 76.2 | Confident | 72.2 | Confident | 87 Ų | 87 | 99 Ų | 99 | 45% | 0.446 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.7 | -35.1 | 170.9 | -71.6 | 165.9 | 0 | 0 | 0 | 111.8 | L40 E41 E42 R48 | L40-I44 WeakPolarHBondContact O-CB 3.48Å; L40-I44 WeakPolarHBondContact O-CD1 3.45Å; L40-I44 VanDerWaalsContact O-CG1 3.23Å; L40-I44 WeakPolarHBondContact O-CG1 3.46Å; L40-I44 PolarHBondContact O-N 3.17Å; E41-I44 PolarHBondContact O-N 3.44Å; E42-I44 VanDerWaalsContact C-N 3.31Å; E42-I44 PolarHBondContact O-N 3.11Å; I44-R48 WeakPolarHBondContact O-CB 3.47Å; I44-R48 WeakPolarHBondContact O-CD 3.19Å; I44-R48 WeakPolarHBondContact O-CG 3.41Å; I44-R48 PolarHBondContact O-N 3.45Å; I44-R48 VanDerWaalsContact O-N 3.17Å |
| 45 | I | 80.2 | Confident | 73.8 | Confident | 93 Ų | 93 | 96.9 Ų | 96.9 | 48% | 0.477 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.3 | -51.7 | 174.1 | -69 | 164.1 | 0 | 0 | 0 | 110.1 | E41 E42 H43 L47 R48 E49 | E41-I45 WeakPolarHBondContact O-CG1 3.4Å; E41-I45 PolarHBondContact O-N 3.43Å; E42-I45 WeakPolarHBondContact O-CB 3.23Å; E42-I45 PolarHBondContact O-N 3Å; E42-I45 VanDerWaalsContact O-N 3.11Å; H43-I45 VanDerWaalsContact C-N 3.33Å; H43-I45 PolarHBondContact O-N 3.45Å; I45-L47 PolarHBondContact O-N 2.93Å; I45-R48 WeakPolarHBondContact O-CA 3.46Å; I45-R48 WeakPolarHBondContact O-CB 3.35Å; I45-R48 PolarHBondContact O-N 3.22Å; I45-E49 HydrophobicContact CG2-CG 4.44Å; I45-E49 PolarHBondContact O-N 2.9Å |
| 46 | R | 80.2 | Confident | 75.5 | Confident | 116 Ų | 116 | 101.2 Ų | 101.2 | 44% | 0.438 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -56.3 | -47.9 | 177.9 | -81.8 | -176.8 | -94.3 | 144.5 | -10.9 | 112.5 | E42 H43 R48 E49 E50 | E42-R46 PolarHBondContact O-N 3.5Å; E42-R46 IonicContact OE2-CZ 2.65Å; E42-R46 IonicContact OE2-NE 3.92Å; E42-R46 IonicContact OE2-NH2 2.69Å; E42-R46 PolarHBondContact OE2-NH2 3.44Å; H43-R46 PolarHBondContact O-N 3.15Å; R46-R48 PolarHBondContact O-N 3.18Å; R46-E49 PolarHBondContact O-N 3.25Å; R46-E50 WeakPolarHBondContact O-CG 3.12Å; R46-E50 PolarHBondContact O-N 3.14Å |
| 47 | L | 77.7 | Confident | 76.7 | Confident | 67 Ų | 67 | 102 Ų | 102 | 35% | 0.351 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.3 | -26.3 | 176.4 | -72.6 | 175.3 | 0 | 0 | 0 | 113.5 | V27 H43 I45 L51 | V27-L47 HydrophobicContact CG1-CD1 4.14Å; V27-L47 HydrophobicContact CG1-CD2 4.18Å; H43-L47 WeakPolarHBondContact O-CB 3.36Å; H43-L47 WeakPolarHBondContact O-CG 3.4Å; H43-L47 PolarHBondContact O-N 3.49Å; I45-L47 PolarHBondContact O-N 2.93Å; L47-L51 WeakPolarHBondContact O-CB 3.36Å; L47-L51 PolarHBondContact O-N 2.92Å |
| 48 | R | 79.9 | Confident | 77.7 | Confident | 174 Ų | 174 | 102.6 Ų | 102.6 | 66% | 0.657 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -76.4 | -42.2 | 172.7 | -76.9 | 169.8 | 177.2 | -135.9 | 2.2 | 111.9 | I44 I45 R46 E50 L51 E52 | I44-R48 WeakPolarHBondContact O-CB 3.47Å; I44-R48 WeakPolarHBondContact O-CD 3.19Å; I44-R48 WeakPolarHBondContact O-CG 3.41Å; I44-R48 PolarHBondContact O-N 3.45Å; I44-R48 VanDerWaalsContact O-N 3.17Å; I45-R48 WeakPolarHBondContact O-CA 3.46Å; I45-R48 WeakPolarHBondContact O-CB 3.35Å; I45-R48 PolarHBondContact O-N 3.22Å; R46-R48 PolarHBondContact O-N 3.18Å; R48-E50 VanDerWaalsContact C-N 3.35Å; R48-L51 PolarHBondContact O-N 2.92Å; R48-E52 PolarHBondContact O-N 3.38Å |
| 49 | E | 81 | Confident | 78.9 | Confident | 112 Ų | 112 | 100.1 Ų | 100.1 | 52% | 0.523 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 175.9 | -69.8 | 179.2 | 174.3 | 0 | 0 | 111.6 | I45 R46 E52 R53 | I45-E49 HydrophobicContact CG2-CG 4.44Å; I45-E49 PolarHBondContact O-N 2.9Å; R46-E49 PolarHBondContact O-N 3.25Å; E49-E52 PolarHBondContact O-N 2.89Å; E49-R53 WeakPolarHBondContact O-CB 3.43Å; E49-R53 PolarHBondContact O-N 3.04Å |
| 50 | E | 79.1 | Confident | 80.2 | Confident | 89 Ų | 89 | 102.2 Ų | 102.2 | 42% | 0.416 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.2 | -39.6 | 174.6 | -66.8 | -168.8 | 141.9 | 0 | 0 | 112.3 | R46 R48 E52 R53 E54 | R46-E50 WeakPolarHBondContact O-CG 3.12Å; R46-E50 PolarHBondContact O-N 3.14Å; R48-E50 VanDerWaalsContact C-N 3.35Å; E50-E52 VanDerWaalsContact C-N 3.29Å; E50-E52 PolarHBondContact O-N 2.84Å; E50-R53 PolarHBondContact O-N 2.84Å; E50-R53 IonicContact OE1-NH1 3.96Å; E50-E54 VanDerWaalsContact O-CB 3.27Å; E50-E54 WeakPolarHBondContact O-CB 3.47Å; E50-E54 PolarHBondContact O-N 2.84Å |
| 51 | L | 81.9 | Confident | 81.5 | Confident | 88 Ų | 88 | 105.8 Ų | 105.8 | 46% | 0.461 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.2 | -36.8 | 173 | 180 | 68.5 | 0 | 0 | 0 | 112.3 | L47 R48 R55 | L47-L51 WeakPolarHBondContact O-CB 3.36Å; L47-L51 PolarHBondContact O-N 2.92Å; R48-L51 PolarHBondContact O-N 2.92Å; L51-R55 WeakPolarHBondContact O-CD 3.36Å; L51-R55 VanDerWaalsContact O-CG 3.23Å; L51-R55 WeakPolarHBondContact O-CG 3.47Å; L51-R55 PolarHBondContact O-N 3.36Å |
| 52 | E | 82.6 | Confident | 82.3 | Confident | 88 Ų | 88 | 105.7 Ų | 105.7 | 41% | 0.411 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -76.9 | -38.8 | 177.3 | -143.2 | 65 | -130.7 | 0 | 0 | 111.8 | R48 E49 E50 E54 R55 E56 | R48-E52 PolarHBondContact O-N 3.38Å; E49-E52 PolarHBondContact O-N 2.89Å; E50-E52 VanDerWaalsContact C-N 3.29Å; E50-E52 PolarHBondContact O-N 2.84Å; E52-E54 VanDerWaalsContact C-N 3.35Å; E52-E54 PolarHBondContact O-N 2.99Å; E52-R55 CarbonylContact O-C 3.58Å; E52-R55 WeakPolarHBondContact O-CA 3.45Å; E52-R55 WeakPolarHBondContact O-CB 3Å; E52-R55 PolarHBondContact O-N 3.43Å; E52-R55 WeakPolarHBondContact OE1-CD 3.45Å; E52-R55 IonicContact OE1-CZ 3.86Å; E52-R55 IonicContact OE1-NE 2.69Å; E52-R55 IonicContact OE1-NH1 3.22Å; E52-R55 PolarHBondContact OE1-NH1 3.22Å; E52-R55 IonicContact OE2-CZ 2.67Å; E52-R55 IonicContact OE2-NE 3.73Å; E52-R55 IonicContact OE2-NH1 3.62Å; E52-R55 PolarHBondContact OE2-NH1 2.85Å; E52-E56 WeakPolarHBondContact O-CG 3.27Å; E52-E56 PolarHBondContact O-N 2.65Å |
| 53 | R | 85.6 | Confident | 83.3 | Confident | 115 Ų | 115 | 105.1 Ų | 105.1 | 43% | 0.434 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59 | -44.2 | 171.5 | -161.7 | -172.2 | -52 | 132.7 | 9.2 | 111.8 | E49 E50 R55 E56 E57 | E49-R53 WeakPolarHBondContact O-CB 3.43Å; E49-R53 PolarHBondContact O-N 3.04Å; E50-R53 PolarHBondContact O-N 2.84Å; E50-R53 IonicContact OE1-NH1 3.96Å; R53-R55 PolarHBondContact O-N 3.4Å; R53-E56 PolarHBondContact O-N 3.45Å; R53-E57 WeakPolarHBondContact O-CB 3.23Å; R53-E57 PolarHBondContact O-N 3.21Å |
| 54 | E | 81.2 | Confident | 84.2 | Confident | 108 Ų | 108 | 107.1 Ų | 107.1 | 51% | 0.505 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.6 | -22.2 | 172.6 | -89.6 | -79.3 | 156.9 | 0 | 0 | 114 | E50 E52 R58 | E50-E54 VanDerWaalsContact O-CB 3.27Å; E50-E54 WeakPolarHBondContact O-CB 3.47Å; E50-E54 PolarHBondContact O-N 2.84Å; E52-E54 VanDerWaalsContact C-N 3.35Å; E52-E54 PolarHBondContact O-N 2.99Å; E54-R58 WeakPolarHBondContact O-CB 3.09Å; E54-R58 PolarHBondContact O-N 2.84Å; E54-R58 IonicContact OE2-NH2 3.77Å |
| 55 | R | 85.6 | Confident | 85 | Confident | 117 Ų | 117 | 109.3 Ų | 109.3 | 44% | 0.442 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -83.3 | -42.5 | 170.9 | -72.3 | 163.9 | 179.9 | -177.7 | 9.4 | 111.4 | L51 E52 R53 R58 N59 | L51-R55 WeakPolarHBondContact O-CD 3.36Å; L51-R55 VanDerWaalsContact O-CG 3.23Å; L51-R55 WeakPolarHBondContact O-CG 3.47Å; L51-R55 PolarHBondContact O-N 3.36Å; E52-R55 CarbonylContact O-C 3.58Å; E52-R55 WeakPolarHBondContact O-CA 3.45Å; E52-R55 WeakPolarHBondContact O-CB 3Å; E52-R55 PolarHBondContact O-N 3.43Å; E52-R55 WeakPolarHBondContact OE1-CD 3.45Å; E52-R55 IonicContact OE1-CZ 3.86Å; E52-R55 IonicContact OE1-NE 2.69Å; E52-R55 IonicContact OE1-NH1 3.22Å; E52-R55 PolarHBondContact OE1-NH1 3.22Å; E52-R55 IonicContact OE2-CZ 2.67Å; E52-R55 IonicContact OE2-NE 3.73Å; E52-R55 IonicContact OE2-NH1 3.62Å; E52-R55 PolarHBondContact OE2-NH1 2.85Å; R53-R55 PolarHBondContact O-N 3.4Å; R55-R58 PolarHBondContact O-N 3.29Å; R55-N59 WeakPolarHBondContact O-CB 3.47Å; R55-N59 PolarHBondContact O-N 2.86Å |
| 56 | E | 85.8 | Confident | 85.6 | Confident | 133 Ų | 133 | 108.3 Ų | 108.3 | 62% | 0.621 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.4 | -49.5 | 176.4 | -71.9 | -177.2 | 162 | 0 | 0 | 111.1 | E52 R53 R58 N59 Y60 | E52-E56 WeakPolarHBondContact O-CG 3.27Å; E52-E56 PolarHBondContact O-N 2.65Å; R53-E56 PolarHBondContact O-N 3.45Å; E56-R58 PolarHBondContact O-N 3.42Å; E56-N59 PolarHBondContact O-N 3.27Å; E56-Y60 WeakPolarHBondContact O-CB 3.09Å; E56-Y60 PolarHBondContact O-N 3.38Å |
| 57 | E | 84.8 | Confident | 86.2 | Confident | 94 Ų | 94 | 107 Ų | 107 | 44% | 0.439 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 176 | -73.5 | -171.8 | -147.1 | 0 | 0 | 111.7 | R53 N59 Y60 F61 | R53-E57 WeakPolarHBondContact O-CB 3.23Å; R53-E57 PolarHBondContact O-N 3.21Å; E57-N59 VanDerWaalsContact C-N 3.33Å; E57-N59 PolarHBondContact O-N 3.49Å; E57-Y60 PolarHBondContact O-N 2.82Å; E57-F61 HydrophobicContact CB-CD2 4.36Å; E57-F61 HydrophobicContact CB-CE2 4.29Å; E57-F61 WeakPolarHBondContact O-CB 3.19Å; E57-F61 WeakPolarHBondContact O-CD2 3.38Å; E57-F61 PolarHBondContact O-N 3.27Å |
| 58 | R | 87.1 | Confident | 86.9 | Confident | 154 Ų | 154 | 108.3 Ų | 108.3 | 58% | 0.581 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.5 | -39 | 176.2 | -175.7 | -171.4 | -46.5 | -154.5 | -3.4 | 112.7 | E54 R55 E56 Q62 | E54-R58 WeakPolarHBondContact O-CB 3.09Å; E54-R58 PolarHBondContact O-N 2.84Å; E54-R58 IonicContact OE2-NH2 3.77Å; R55-R58 PolarHBondContact O-N 3.29Å; E56-R58 PolarHBondContact O-N 3.42Å; R58-Q62 VanDerWaalsContact O-CB 3.24Å; R58-Q62 WeakPolarHBondContact O-CB 3.47Å; R58-Q62 PolarHBondContact O-N 2.62Å |
| 59 | N | 88.8 | Confident | 87.5 | Confident | 99 Ų | 99 | 103.4 Ų | 103.4 | 53% | 0.529 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.9 | -46.4 | 175.4 | -172 | 11.1 | 0 | 0 | 0 | 110.3 | R55 E56 E57 Q62 L63 | R55-N59 WeakPolarHBondContact O-CB 3.47Å; R55-N59 PolarHBondContact O-N 2.86Å; E56-N59 PolarHBondContact O-N 3.27Å; E57-N59 VanDerWaalsContact C-N 3.33Å; E57-N59 PolarHBondContact O-N 3.49Å; N59-Q62 PolarHBondContact O-N 2.89Å; N59-L63 WeakPolarHBondContact O-CG 3.19Å; N59-L63 PolarHBondContact O-N 2.85Å |
| 60 | Y | 90.7 | Very high | 88 | Confident | 137 Ų | 137 | 101.4 Ų | 101.4 | 54% | 0.537 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.8 | -50 | 175.1 | 178 | -98.8 | 0 | 0 | 0 | 112.6 | E56 E57 Q62 L63 E64 | E56-Y60 WeakPolarHBondContact O-CB 3.09Å; E56-Y60 PolarHBondContact O-N 3.38Å; E57-Y60 PolarHBondContact O-N 2.82Å; Y60-Q62 VanDerWaalsContact C-N 3.26Å; Y60-Q62 PolarHBondContact O-N 3.25Å; Y60-L63 PolarHBondContact O-N 3.34Å; Y60-E64 HydrophobicContact CE1-CG 4.15Å; Y60-E64 HydrophobicContact CE2-CG 4.08Å; Y60-E64 PolarHBondContact O-N 2.97Å |
| 61 | F | 90 | Very high | 88.7 | Confident | 127 Ų | 127 | 103.3 Ų | 103.3 | 56% | 0.557 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.9 | -27 | 176.6 | -73.8 | -58.2 | 0 | 0 | 0 | 113.1 | E57 R65 | E57-F61 HydrophobicContact CB-CD2 4.36Å; E57-F61 HydrophobicContact CB-CE2 4.29Å; E57-F61 WeakPolarHBondContact O-CB 3.19Å; E57-F61 WeakPolarHBondContact O-CD2 3.38Å; E57-F61 PolarHBondContact O-N 3.27Å; F61-R65 WeakPolarHBondContact O-CB 3.38Å; F61-R65 PolarHBondContact O-N 2.77Å; F61-R65 VanDerWaalsContact O-N 3.1Å |
| 62 | Q | 88.3 | Confident | 89.4 | Confident | 88 Ų | 88 | 106.2 Ų | 106.2 | 41% | 0.411 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -72.8 | -46.4 | 171.7 | -179.1 | 131.1 | -15.8 | 0 | 0 | 111.4 | R58 N59 Y60 R65 D66 | R58-Q62 VanDerWaalsContact O-CB 3.24Å; R58-Q62 WeakPolarHBondContact O-CB 3.47Å; R58-Q62 PolarHBondContact O-N 2.62Å; N59-Q62 PolarHBondContact O-N 2.89Å; Y60-Q62 VanDerWaalsContact C-N 3.26Å; Y60-Q62 PolarHBondContact O-N 3.25Å; Q62-R65 VanDerWaalsContact CD-NH1 3.28Å; Q62-R65 WeakPolarHBondContact O-CB 3.25Å; Q62-R65 PolarHBondContact O-N 3.1Å; Q62-D66 WeakPolarHBondContact O-CB 3.39Å; Q62-D66 PolarHBondContact O-N 3.26Å |
| 63 | L | 91.4 | Very high | 89.9 | Confident | 103 Ų | 103 | 106.7 Ų | 106.7 | 54% | 0.539 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.2 | -46.9 | 176.2 | -73 | 167.7 | 0 | 0 | 0 | 112.1 | N59 Y60 D66 K67 | N59-L63 WeakPolarHBondContact O-CG 3.19Å; N59-L63 PolarHBondContact O-N 2.85Å; Y60-L63 PolarHBondContact O-N 3.34Å; L63-D66 PolarHBondContact O-N 3.19Å; L63-K67 WeakPolarHBondContact O-CB 3.39Å; L63-K67 PolarHBondContact O-N 3Å |
| 64 | E | 90.6 | Very high | 90.4 | Very high | 61 Ų | 61 | 105.5 Ų | 105.5 | 29% | 0.285 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.7 | -33.9 | 176.8 | -72.8 | -59.6 | 123.4 | 0 | 0 | 112.3 | Y60 K67 V68 | Y60-E64 HydrophobicContact CE1-CG 4.15Å; Y60-E64 HydrophobicContact CE2-CG 4.08Å; Y60-E64 PolarHBondContact O-N 2.97Å; E64-K67 VanDerWaalsContact OE1-CD 3.25Å; E64-K67 WeakPolarHBondContact OE1-CD 3.12Å; E64-K67 IonicContact OE1-NZ 2.84Å; E64-K67 PolarHBondContact OE1-NZ 2.9Å; E64-K67 WeakPolarHBondContact OE2-CD 3.33Å; E64-K67 IonicContact OE2-NZ 2.65Å; E64-K67 PolarHBondContact OE2-NZ 2.84Å; E64-V68 WeakPolarHBondContact O-CB 3.24Å; E64-V68 VanDerWaalsContact O-CG2 3.26Å; E64-V68 WeakPolarHBondContact O-CG2 3.17Å; E64-V68 PolarHBondContact O-N 3.26Å |
| 65 | R | 92.9 | Very high | 90.9 | Very high | 132 Ų | 132 | 103.7 Ų | 103.7 | 50% | 0.498 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.7 | -49.2 | 172.3 | -174.5 | -143 | -52.7 | 133.2 | -0.3 | 111.2 | F61 Q62 K67 V68 N69 | F61-R65 WeakPolarHBondContact O-CB 3.38Å; F61-R65 PolarHBondContact O-N 2.77Å; F61-R65 VanDerWaalsContact O-N 3.1Å; Q62-R65 VanDerWaalsContact CD-NH1 3.28Å; Q62-R65 WeakPolarHBondContact O-CB 3.25Å; Q62-R65 PolarHBondContact O-N 3.1Å; R65-K67 VanDerWaalsContact C-N 3.3Å; R65-K67 PolarHBondContact O-N 2.92Å; R65-V68 PolarHBondContact O-N 3.42Å; R65-N69 WeakPolarHBondContact O-CB 3.26Å; R65-N69 PolarHBondContact O-N 2.88Å |
| 66 | D | 92.3 | Very high | 91.4 | Very high | 72 Ų | 72 | 102.4 Ų | 102.4 | 39% | 0.385 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.7 | -31.5 | -174.8 | -60.7 | -8.5 | 0 | 0 | 0 | 110.5 | Q62 L63 N69 T70 | Q62-D66 WeakPolarHBondContact O-CB 3.39Å; Q62-D66 PolarHBondContact O-N 3.26Å; L63-D66 PolarHBondContact O-N 3.19Å; D66-N69 PolarHBondContact O-N 3.02Å; D66-T70 WeakPolarHBondContact O-CG2 3.41Å; D66-T70 PolarHBondContact O-N 2.83Å; D66-T70 PolarHBondContact O-OG1 3.48Å |
| 67 | K | 92.7 | Very high | 91.8 | Very high | 90 Ų | 90 | 100.9 Ų | 100.9 | 39% | 0.391 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.4 | -43.7 | 168.4 | 180 | -170 | 175.9 | -159.9 | 0 | 113.4 | L63 E64 R65 N69 T70 F71 | L63-K67 WeakPolarHBondContact O-CB 3.39Å; L63-K67 PolarHBondContact O-N 3Å; E64-K67 VanDerWaalsContact OE1-CD 3.25Å; E64-K67 WeakPolarHBondContact OE1-CD 3.12Å; E64-K67 IonicContact OE1-NZ 2.84Å; E64-K67 PolarHBondContact OE1-NZ 2.9Å; E64-K67 WeakPolarHBondContact OE2-CD 3.33Å; E64-K67 IonicContact OE2-NZ 2.65Å; E64-K67 PolarHBondContact OE2-NZ 2.84Å; R65-K67 VanDerWaalsContact C-N 3.3Å; R65-K67 PolarHBondContact O-N 2.92Å; K67-N69 VanDerWaalsContact C-N 3.34Å; K67-T70 WeakPolarHBondContact CA-OG1 3.43Å; K67-T70 PolarHBondContact O-OG1 3.46Å; K67-F71 HydrophobicContact CG-CD2 4.16Å; K67-F71 HydrophobicContact CG-CE2 3.83Å; K67-F71 WeakPolarHBondContact O-CD2 3.27Å; K67-F71 PolarHBondContact O-N 3.38Å |
| 68 | V | 92.3 | Very high | 92.3 | Very high | 93 Ų | 93 | 102 Ų | 102 | 56% | 0.564 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65 | -39.5 | 172.6 | 166.8 | 0 | 0 | 0 | 0 | 110.9 | E64 R65 F71 W72 | E64-V68 WeakPolarHBondContact O-CB 3.24Å; E64-V68 VanDerWaalsContact O-CG2 3.26Å; E64-V68 WeakPolarHBondContact O-CG2 3.17Å; E64-V68 PolarHBondContact O-N 3.26Å; R65-V68 PolarHBondContact O-N 3.42Å; V68-F71 PolarHBondContact O-N 2.86Å; V68-W72 WeakPolarHBondContact O-CB 3.43Å; V68-W72 PolarHBondContact O-N 2.93Å |
| 69 | N | 92.3 | Very high | 92.6 | Very high | 72 Ų | 72 | 100.2 Ų | 100.2 | 39% | 0.385 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.5 | -41.7 | 179 | -164.6 | 76.5 | 0 | 0 | 0 | 111.7 | R65 D66 K67 W72 E73 | R65-N69 WeakPolarHBondContact O-CB 3.26Å; R65-N69 PolarHBondContact O-N 2.88Å; D66-N69 PolarHBondContact O-N 3.02Å; K67-N69 VanDerWaalsContact C-N 3.34Å; N69-W72 WeakPolarHBondContact O-CB 3.5Å; N69-W72 PolarHBondContact O-N 2.94Å; N69-E73 PolarHBondContact ND2-OE1 3.37Å; N69-E73 WeakPolarHBondContact O-CG 3.48Å; N69-E73 PolarHBondContact O-N 3.44Å |
| 70 | T | 92.6 | Very high | 92.9 | Very high | 69 Ų | 69 | 100.1 Ų | 100.1 | 42% | 0.423 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 173.6 | 43 | 0 | 0 | 0 | 0 | 112.7 | D66 K67 W72 E73 I74 | D66-T70 WeakPolarHBondContact O-CG2 3.41Å; D66-T70 PolarHBondContact O-N 2.83Å; D66-T70 PolarHBondContact O-OG1 3.48Å; K67-T70 WeakPolarHBondContact CA-OG1 3.43Å; K67-T70 PolarHBondContact O-OG1 3.46Å; T70-W72 VanDerWaalsContact C-N 3.31Å; T70-W72 PolarHBondContact O-N 2.92Å; T70-E73 PolarHBondContact O-N 2.87Å; T70-I74 WeakPolarHBondContact O-CB 3.26Å; T70-I74 WeakPolarHBondContact O-CD1 3.46Å; T70-I74 VanDerWaalsContact O-CG1 3.26Å; T70-I74 WeakPolarHBondContact O-CG1 3.46Å; T70-I74 PolarHBondContact O-N 3.22Å |
| 71 | F | 94 | Very high | 93.1 | Very high | 129 Ų | 129 | 97.3 Ų | 97.3 | 57% | 0.566 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.4 | -38.3 | 170.2 | -78 | -50 | 0 | 0 | 0 | 112.5 | K67 V68 S75 | K67-F71 HydrophobicContact CG-CD2 4.16Å; K67-F71 HydrophobicContact CG-CE2 3.83Å; K67-F71 WeakPolarHBondContact O-CD2 3.27Å; K67-F71 PolarHBondContact O-N 3.38Å; V68-F71 PolarHBondContact O-N 2.86Å; F71-S75 VanDerWaalsContact O-CB 3.27Å; F71-S75 WeakPolarHBondContact O-CB 3.46Å; F71-S75 PolarHBondContact O-N 2.91Å; F71-S75 PolarHBondContact O-OG 2.69Å |
| 72 | W | 95.5 | Very high | 93.3 | Very high | 149 Ų | 149 | 98.6 Ų | 98.6 | 56% | 0.564 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.1 | -44.5 | 175.7 | 177.6 | 77.6 | 0 | 0 | 0 | 111.9 | V68 N69 T70 S75 K76 | V68-W72 WeakPolarHBondContact O-CB 3.43Å; V68-W72 PolarHBondContact O-N 2.93Å; N69-W72 WeakPolarHBondContact O-CB 3.5Å; N69-W72 PolarHBondContact O-N 2.94Å; T70-W72 VanDerWaalsContact C-N 3.31Å; T70-W72 PolarHBondContact O-N 2.92Å; W72-S75 PolarHBondContact O-N 2.84Å; W72-K76 HydrophobicContact CH2-CD 4.06Å; W72-K76 HydrophobicContact CZ2-CD 4.16Å; W72-K76 WeakPolarHBondContact O-CB 3.32Å; W72-K76 PolarHBondContact O-N 3.37Å |
| 73 | E | 94.3 | Very high | 93.5 | Very high | 99 Ų | 99 | 96.3 Ų | 96.3 | 46% | 0.463 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 176.5 | -74.2 | 172.8 | -178 | 0 | 0 | 112 | N69 T70 K76 Q77 | N69-E73 PolarHBondContact ND2-OE1 3.37Å; N69-E73 WeakPolarHBondContact O-CG 3.48Å; N69-E73 PolarHBondContact O-N 3.44Å; T70-E73 PolarHBondContact O-N 2.87Å; E73-K76 PolarHBondContact O-N 3.3Å; E73-Q77 WeakPolarHBondContact O-CB 3.48Å; E73-Q77 PolarHBondContact O-N 3.4Å |
| 74 | I | 94.3 | Very high | 93.7 | Very high | 89 Ų | 89 | 93.5 Ų | 93.5 | 46% | 0.456 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.7 | -48.1 | 174.6 | -68.3 | 164.5 | 0 | 0 | 0 | 110.9 | T70 K76 Q77 Q78 | T70-I74 WeakPolarHBondContact O-CB 3.26Å; T70-I74 WeakPolarHBondContact O-CD1 3.46Å; T70-I74 VanDerWaalsContact O-CG1 3.26Å; T70-I74 WeakPolarHBondContact O-CG1 3.46Å; T70-I74 PolarHBondContact O-N 3.22Å; I74-K76 VanDerWaalsContact C-N 3.29Å; I74-K76 PolarHBondContact O-N 2.93Å; I74-Q77 PolarHBondContact O-N 2.89Å; I74-Q78 HydrophobicContact CG2-CG 4.5Å; I74-Q78 WeakPolarHBondContact O-CB 3.45Å; I74-Q78 WeakPolarHBondContact O-CG 3.01Å; I74-Q78 PolarHBondContact O-N 3.4Å |
| 75 | S | 93.1 | Very high | 93.8 | Very high | 70 Ų | 70 | 95.2 Ų | 95.2 | 49% | 0.49 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64 | -36.7 | -179.5 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | F71 W72 L79 | F71-S75 VanDerWaalsContact O-CB 3.27Å; F71-S75 WeakPolarHBondContact O-CB 3.46Å; F71-S75 PolarHBondContact O-N 2.91Å; F71-S75 PolarHBondContact O-OG 2.69Å; W72-S75 PolarHBondContact O-N 2.84Å; S75-L79 WeakPolarHBondContact O-CB 3.44Å; S75-L79 PolarHBondContact O-N 3.05Å |
| 76 | K | 94.8 | Very high | 93.9 | Very high | 91 Ų | 91 | 94.3 Ų | 94.3 | 40% | 0.396 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.4 | -47 | 175.2 | -178.1 | -166.4 | 161.4 | -157.6 | 0 | 111.2 | W72 E73 I74 Q78 L79 E80 | W72-K76 HydrophobicContact CH2-CD 4.06Å; W72-K76 HydrophobicContact CZ2-CD 4.16Å; W72-K76 WeakPolarHBondContact O-CB 3.32Å; W72-K76 PolarHBondContact O-N 3.37Å; E73-K76 PolarHBondContact O-N 3.3Å; I74-K76 VanDerWaalsContact C-N 3.29Å; I74-K76 PolarHBondContact O-N 2.93Å; K76-Q78 PolarHBondContact O-N 2.68Å; K76-L79 WeakPolarHBondContact O-CB 3.27Å; K76-L79 PolarHBondContact O-N 3.09Å; K76-E80 WeakPolarHBondContact CE-OE1 3.18Å; K76-E80 IonicContact NZ-OE1 3.68Å; K76-E80 PolarHBondContact O-N 3.17Å |
| 77 | Q | 95 | Very high | 94 | Very high | 101 Ų | 101 | 98.6 Ų | 98.6 | 47% | 0.472 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60 | -46.9 | 177.2 | -173.2 | 61.6 | 55.7 | 0 | 0 | 110.7 | E73 I74 L79 E80 D81 | E73-Q77 WeakPolarHBondContact O-CB 3.48Å; E73-Q77 PolarHBondContact O-N 3.4Å; I74-Q77 PolarHBondContact O-N 2.89Å; Q77-L79 VanDerWaalsContact C-N 3.28Å; Q77-L79 PolarHBondContact O-N 2.94Å; Q77-E80 PolarHBondContact O-N 2.97Å; Q77-E80 VanDerWaalsContact O-N 3.09Å; Q77-D81 PolarHBondContact NE2-OD1 2.8Å; Q77-D81 WeakPolarHBondContact O-CB 2.9Å; Q77-D81 PolarHBondContact O-N 3.24Å |
| 78 | Q | 94.7 | Very high | 94.1 | Very high | 116 Ų | 116 | 98.8 Ų | 98.8 | 54% | 0.542 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.6 | -37.7 | 175.6 | -72.1 | 176.5 | 1.5 | 0 | 0 | 112.7 | I74 K76 R82 | I74-Q78 HydrophobicContact CG2-CG 4.5Å; I74-Q78 WeakPolarHBondContact O-CB 3.45Å; I74-Q78 WeakPolarHBondContact O-CG 3.01Å; I74-Q78 PolarHBondContact O-N 3.4Å; K76-Q78 PolarHBondContact O-N 2.68Å; Q78-R82 WeakPolarHBondContact O-CB 3.5Å; Q78-R82 VanDerWaalsContact O-CG 3.27Å; Q78-R82 WeakPolarHBondContact O-CG 3.45Å; Q78-R82 PolarHBondContact O-N 3.48Å |
| 79 | L | 94.1 | Very high | 94.2 | Very high | 117 Ų | 117 | 99.8 Ų | 99.8 | 61% | 0.613 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68 | -39.7 | 175 | -179 | 62.9 | 0 | 0 | 0 | 112.2 | S75 K76 Q77 S83 | S75-L79 WeakPolarHBondContact O-CB 3.44Å; S75-L79 PolarHBondContact O-N 3.05Å; K76-L79 WeakPolarHBondContact O-CB 3.27Å; K76-L79 PolarHBondContact O-N 3.09Å; Q77-L79 VanDerWaalsContact C-N 3.28Å; Q77-L79 PolarHBondContact O-N 2.94Å; L79-S83 VanDerWaalsContact O-CB 3.25Å; L79-S83 WeakPolarHBondContact O-CB 3.42Å; L79-S83 PolarHBondContact O-N 3.33Å; L79-S83 PolarHBondContact O-OG 3.3Å |
| 80 | E | 95.2 | Very high | 94.3 | Very high | 98 Ų | 98 | 102 Ų | 102 | 46% | 0.458 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 175.7 | -71.8 | -179.2 | -169.6 | 0 | 0 | 111.3 | K76 Q77 S83 A84 | K76-E80 WeakPolarHBondContact CE-OE1 3.18Å; K76-E80 IonicContact NZ-OE1 3.68Å; K76-E80 PolarHBondContact O-N 3.17Å; Q77-E80 PolarHBondContact O-N 2.97Å; Q77-E80 VanDerWaalsContact O-N 3.09Å; E80-S83 WeakPolarHBondContact O-CB 3.49Å; E80-S83 PolarHBondContact O-N 3.27Å; E80-A84 PolarHBondContact O-N 2.9Å |
| 81 | D | 94.3 | Very high | 94.4 | Very high | 77 Ų | 77 | 106 Ų | 106 | 41% | 0.412 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -50.8 | 176 | -63.3 | -21.5 | 0 | 0 | 0 | 111.5 | Q77 S83 A84 E85 | Q77-D81 PolarHBondContact NE2-OD1 2.8Å; Q77-D81 WeakPolarHBondContact O-CB 2.9Å; Q77-D81 PolarHBondContact O-N 3.24Å; D81-S83 VanDerWaalsContact C-N 3.26Å; D81-S83 PolarHBondContact O-N 2.99Å; D81-A84 WeakPolarHBondContact O-CA 3.48Å; D81-A84 WeakPolarHBondContact O-CB 3.46Å; D81-A84 PolarHBondContact O-N 2.67Å; D81-E85 PolarHBondContact O-N 2.82Å |
| 82 | R | 93.8 | Very high | 94.4 | Very high | 155 Ų | 155 | 104.3 Ų | 104.3 | 59% | 0.585 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.9 | -32.2 | 175.7 | -68.1 | -55 | -170.2 | -175.6 | -3 | 112.5 | Q78 A84 E85 L86 | Q78-R82 WeakPolarHBondContact O-CB 3.5Å; Q78-R82 VanDerWaalsContact O-CG 3.27Å; Q78-R82 WeakPolarHBondContact O-CG 3.45Å; Q78-R82 PolarHBondContact O-N 3.48Å; R82-A84 VanDerWaalsContact C-N 3.3Å; R82-E85 WeakPolarHBondContact CD-OE2 3.25Å; R82-E85 IonicContact CZ-OE2 3.97Å; R82-E85 IonicContact NE-OE2 3.7Å; R82-E85 IonicContact NH1-OE1 3.43Å; R82-E85 PolarHBondContact NH1-OE1 3.01Å; R82-E85 IonicContact NH1-OE2 3.82Å; R82-E85 PolarHBondContact NH1-OE2 2.97Å; R82-L86 WeakPolarHBondContact O-CB 3.41Å; R82-L86 WeakPolarHBondContact O-CG 3.48Å; R82-L86 PolarHBondContact O-N 3.02Å |
| 83 | S | 94 | Very high | 94.3 | Very high | 39 Ų | 39 | 102.9 Ų | 102.9 | 27% | 0.273 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.4 | -25.8 | 173.4 | -61.2 | 0 | 0 | 0 | 0 | 112.9 | L79 E80 D81 R87 | L79-S83 VanDerWaalsContact O-CB 3.25Å; L79-S83 WeakPolarHBondContact O-CB 3.42Å; L79-S83 PolarHBondContact O-N 3.33Å; L79-S83 PolarHBondContact O-OG 3.3Å; E80-S83 WeakPolarHBondContact O-CB 3.49Å; E80-S83 PolarHBondContact O-N 3.27Å; D81-S83 VanDerWaalsContact C-N 3.26Å; D81-S83 PolarHBondContact O-N 2.99Å; S83-R87 WeakPolarHBondContact O-CG 3.32Å |
| 84 | A | 94.4 | Very high | 94.3 | Very high | 44 Ų | 44 | 104.3 Ų | 104.3 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -79.4 | -43.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E80 D81 R82 L86 R87 N88 | E80-A84 PolarHBondContact O-N 2.9Å; D81-A84 WeakPolarHBondContact O-CA 3.48Å; D81-A84 WeakPolarHBondContact O-CB 3.46Å; D81-A84 PolarHBondContact O-N 2.67Å; R82-A84 VanDerWaalsContact C-N 3.3Å; A84-L86 PolarHBondContact O-N 2.96Å; A84-R87 PolarHBondContact O-N 2.69Å; A84-N88 PolarHBondContact O-N 3.21Å |
| 85 | E | 93.9 | Very high | 94.3 | Very high | 97 Ų | 97 | 104.1 Ų | 104.1 | 45% | 0.453 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -55.9 | -47.1 | 173.3 | -73 | -177.8 | 163.6 | 0 | 0 | 112.1 | D81 R82 R87 N88 K89 | D81-E85 PolarHBondContact O-N 2.82Å; R82-E85 WeakPolarHBondContact CD-OE2 3.25Å; R82-E85 IonicContact CZ-OE2 3.97Å; R82-E85 IonicContact NE-OE2 3.7Å; R82-E85 IonicContact NH1-OE1 3.43Å; R82-E85 PolarHBondContact NH1-OE1 3.01Å; R82-E85 IonicContact NH1-OE2 3.82Å; R82-E85 PolarHBondContact NH1-OE2 2.97Å; E85-R87 PolarHBondContact O-N 2.64Å; E85-N88 PolarHBondContact O-N 3.03Å; E85-K89 PolarHBondContact O-N 3.47Å |
| 86 | L | 93.9 | Very high | 94.4 | Very high | 113 Ų | 113 | 103.7 Ų | 103.7 | 59% | 0.592 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58 | -48.4 | 178.1 | -81.8 | 168 | 0 | 0 | 0 | 111.9 | R82 A84 N88 K89 E90 | R82-L86 WeakPolarHBondContact O-CB 3.41Å; R82-L86 WeakPolarHBondContact O-CG 3.48Å; R82-L86 PolarHBondContact O-N 3.02Å; A84-L86 PolarHBondContact O-N 2.96Å; L86-N88 VanDerWaalsContact C-N 3.28Å; L86-N88 PolarHBondContact O-N 3.34Å; L86-K89 CarbonylContact O-C 3.59Å; L86-K89 PolarHBondContact O-N 3.33Å; L86-K89 VanDerWaalsContact O-N 3.09Å; L86-E90 WeakPolarHBondContact O-CG 3.38Å; L86-E90 PolarHBondContact O-N 3.09Å |
| 87 | R | 94.4 | Very high | 94.4 | Very high | 162 Ų | 162 | 105.7 Ų | 105.7 | 61% | 0.611 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.4 | -34.6 | 177.5 | -70.6 | 175.5 | -170.1 | 133.2 | 4.4 | 113.1 | S83 A84 E85 R91 | S83-R87 WeakPolarHBondContact O-CG 3.32Å; A84-R87 PolarHBondContact O-N 2.69Å; E85-R87 PolarHBondContact O-N 2.64Å; R87-R91 PolarHBondContact O-N 3.4Å; R87-R91 VanDerWaalsContact O-N 3.08Å |
| 88 | N | 94.9 | Very high | 94.3 | Very high | 95 Ų | 95 | 106.7 Ų | 106.7 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.8 | -39.7 | 174.6 | -70.3 | -16.9 | 0 | 0 | 0 | 110.9 | A84 E85 L86 R91 E92 | A84-N88 PolarHBondContact O-N 3.21Å; E85-N88 PolarHBondContact O-N 3.03Å; L86-N88 VanDerWaalsContact C-N 3.28Å; L86-N88 PolarHBondContact O-N 3.34Å; N88-R91 PolarHBondContact O-N 3.44Å; N88-E92 WeakPolarHBondContact O-CG 3.49Å; N88-E92 PolarHBondContact O-N 3.06Å |
| 89 | K | 94.8 | Very high | 94.3 | Very high | 114 Ų | 114 | 106.9 Ų | 106.9 | 50% | 0.496 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.9 | -34.9 | 175.1 | -66.4 | -46.1 | -171.4 | -168.8 | 0 | 113.9 | E85 L86 R91 E92 M93 | E85-K89 PolarHBondContact O-N 3.47Å; L86-K89 CarbonylContact O-C 3.59Å; L86-K89 PolarHBondContact O-N 3.33Å; L86-K89 VanDerWaalsContact O-N 3.09Å; K89-R91 VanDerWaalsContact C-N 3.32Å; K89-R91 PolarHBondContact O-N 2.82Å; K89-E92 WeakPolarHBondContact CD-OE1 3.43Å; K89-E92 VanDerWaalsContact CD-OE2 3.32Å; K89-E92 WeakPolarHBondContact CD-OE2 3.37Å; K89-E92 IonicContact NZ-OE1 2.77Å; K89-E92 PolarHBondContact NZ-OE1 3.4Å; K89-E92 IonicContact NZ-OE2 2.62Å; K89-E92 PolarHBondContact NZ-OE2 2.9Å; K89-E92 PolarHBondContact O-N 3.3Å; K89-M93 WeakPolarHBondContact O-CG 3.38Å; K89-M93 PolarHBondContact O-N 3.49Å |
| 90 | E | 93.6 | Very high | 94.4 | Very high | 118 Ų | 118 | 106.7 Ų | 106.7 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -57.5 | -46.2 | 169.2 | -72.1 | 170.8 | 155.4 | 0 | 0 | 110.6 | L86 M93 E94 | L86-E90 WeakPolarHBondContact O-CG 3.38Å; L86-E90 PolarHBondContact O-N 3.09Å; E90-M93 PolarHBondContact O-N 3.08Å; E90-E94 PolarHBondContact O-N 3.39Å |
| 91 | R | 94.7 | Very high | 94.4 | Very high | 152 Ų | 152 | 106.9 Ų | 106.9 | 57% | 0.574 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.7 | -43.4 | 175.7 | -175.8 | 173.9 | -63.3 | 171 | 4.2 | 113.6 | R87 N88 K89 M93 E94 E95 | R87-R91 PolarHBondContact O-N 3.4Å; R87-R91 VanDerWaalsContact O-N 3.08Å; N88-R91 PolarHBondContact O-N 3.44Å; K89-R91 VanDerWaalsContact C-N 3.32Å; K89-R91 PolarHBondContact O-N 2.82Å; R91-M93 PolarHBondContact O-N 2.82Å; R91-E94 PolarHBondContact O-N 2.89Å; R91-E95 HydrophobicContact CG-CG 4.26Å; R91-E95 WeakPolarHBondContact O-CG 3.38Å; R91-E95 PolarHBondContact O-N 2.98Å |
| 92 | E | 94.2 | Very high | 94.4 | Very high | 95 Ų | 95 | 108.2 Ų | 108.2 | 44% | 0.444 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.6 | -37.6 | 176.5 | -79.6 | 176.8 | -145.1 | 0 | 0 | 111.8 | N88 K89 S96 | N88-E92 WeakPolarHBondContact O-CG 3.49Å; N88-E92 PolarHBondContact O-N 3.06Å; K89-E92 WeakPolarHBondContact CD-OE1 3.43Å; K89-E92 VanDerWaalsContact CD-OE2 3.32Å; K89-E92 WeakPolarHBondContact CD-OE2 3.37Å; K89-E92 IonicContact NZ-OE1 2.77Å; K89-E92 PolarHBondContact NZ-OE1 3.4Å; K89-E92 IonicContact NZ-OE2 2.62Å; K89-E92 PolarHBondContact NZ-OE2 2.9Å; K89-E92 PolarHBondContact O-N 3.3Å; E92-S96 WeakPolarHBondContact O-CB 3.43Å; E92-S96 PolarHBondContact O-N 3Å |
| 93 | M | 94.2 | Very high | 94.4 | Very high | 119 Ų | 119 | 105.6 Ų | 105.6 | 59% | 0.586 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.8 | -48.9 | 173.5 | -69.6 | -171.8 | -58.9 | 0 | 0 | 111.9 | K89 E90 R91 E95 S96 E97 | K89-M93 WeakPolarHBondContact O-CG 3.38Å; K89-M93 PolarHBondContact O-N 3.49Å; E90-M93 PolarHBondContact O-N 3.08Å; R91-M93 PolarHBondContact O-N 2.82Å; M93-E95 PolarHBondContact O-N 3.18Å; M93-S96 CarbonylContact O-C 3.55Å; M93-S96 WeakPolarHBondContact O-CA 3.33Å; M93-S96 WeakPolarHBondContact O-CB 3.43Å; M93-S96 PolarHBondContact O-N 3.43Å; M93-E97 PolarHBondContact O-N 3.2Å |
| 94 | E | 94.4 | Very high | 94.5 | Very high | 128 Ų | 128 | 107.4 Ų | 107.4 | 60% | 0.598 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -56 | -49.3 | 179 | -172.7 | 171.7 | -140.5 | 0 | 0 | 111.5 | E90 R91 S96 E97 E98 | E90-E94 PolarHBondContact O-N 3.39Å; R91-E94 PolarHBondContact O-N 2.89Å; E94-S96 VanDerWaalsContact C-N 3.25Å; E94-S96 PolarHBondContact O-N 2.91Å; E94-E97 PolarHBondContact O-N 3.23Å; E94-E98 PolarHBondContact O-N 3.24Å |
| 95 | E | 94.7 | Very high | 94.6 | Very high | 85 Ų | 85 | 110.9 Ų | 110.9 | 40% | 0.397 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.3 | -32.6 | 173.9 | -67.9 | -179.6 | -163.8 | 0 | 0 | 112.9 | R91 M93 R99 | R91-E95 HydrophobicContact CG-CG 4.26Å; R91-E95 WeakPolarHBondContact O-CG 3.38Å; R91-E95 PolarHBondContact O-N 2.98Å; M93-E95 PolarHBondContact O-N 3.18Å; E95-R99 WeakPolarHBondContact O-CB 3.47Å; E95-R99 VanDerWaalsContact O-CG 3.28Å; E95-R99 WeakPolarHBondContact O-CG 3.44Å; E95-R99 PolarHBondContact O-N 2.96Å; E95-R99 PolarHBondContact O-NE 2.76Å; E95-R99 IonicContact OE2-CZ 3.56Å; E95-R99 IonicContact OE2-NH1 2.95Å; E95-R99 PolarHBondContact OE2-NH1 3.29Å; E95-R99 IonicContact OE2-NH2 3.24Å |
| 96 | S | 94.6 | Very high | 94.7 | Very high | 62 Ų | 62 | 110.9 Ų | 110.9 | 43% | 0.434 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -73.1 | -36.6 | 179 | -158.1 | 0 | 0 | 0 | 0 | 111.9 | E92 M93 E94 H100 | E92-S96 WeakPolarHBondContact O-CB 3.43Å; E92-S96 PolarHBondContact O-N 3Å; M93-S96 CarbonylContact O-C 3.55Å; M93-S96 WeakPolarHBondContact O-CA 3.33Å; M93-S96 WeakPolarHBondContact O-CB 3.43Å; M93-S96 PolarHBondContact O-N 3.43Å; E94-S96 VanDerWaalsContact C-N 3.25Å; E94-S96 PolarHBondContact O-N 2.91Å; S96-H100 WeakPolarHBondContact O-CB 3.45Å; S96-H100 PolarHBondContact O-N 2.95Å |
| 97 | E | 94.1 | Very high | 94.8 | Very high | 132 Ų | 132 | 112.7 Ų | 112.7 | 62% | 0.617 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.5 | -41.1 | 170.8 | -68.7 | -168.7 | 179.1 | 0 | 0 | 111.4 | M93 E94 H100 Q101 | M93-E97 PolarHBondContact O-N 3.2Å; E94-E97 PolarHBondContact O-N 3.23Å; E97-H100 PolarHBondContact O-N 3.33Å; E97-Q101 WeakPolarHBondContact O-CB 3.5Å; E97-Q101 VanDerWaalsContact O-CG 3.31Å; E97-Q101 WeakPolarHBondContact O-CG 3.14Å; E97-Q101 PolarHBondContact O-N 3.38Å |
| 98 | E | 94.5 | Very high | 94.9 | Very high | 123 Ų | 123 | 111.2 Ų | 111.2 | 58% | 0.575 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.4 | -47.5 | 173.5 | -72.5 | -161.8 | 142.9 | 0 | 0 | 112.2 | E94 H100 Q101 L102 | E94-E98 PolarHBondContact O-N 3.24Å; E98-H100 PolarHBondContact O-N 3.24Å; E98-Q101 PolarHBondContact O-N 3.29Å; E98-L102 WeakPolarHBondContact O-CG 3.34Å; E98-L102 PolarHBondContact O-N 2.97Å |
| 99 | R | 94.7 | Very high | 94.9 | Very high | 120 Ų | 120 | 112.3 Ų | 112.3 | 45% | 0.453 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -56.2 | -49.6 | 174.7 | -76.9 | -179.7 | -69.7 | -102.9 | 0.3 | 111.1 | E95 Q101 L102 E103 | E95-R99 WeakPolarHBondContact O-CB 3.47Å; E95-R99 VanDerWaalsContact O-CG 3.28Å; E95-R99 WeakPolarHBondContact O-CG 3.44Å; E95-R99 PolarHBondContact O-N 2.96Å; E95-R99 PolarHBondContact O-NE 2.76Å; E95-R99 IonicContact OE2-CZ 3.56Å; E95-R99 IonicContact OE2-NH1 2.95Å; E95-R99 PolarHBondContact OE2-NH1 3.29Å; E95-R99 IonicContact OE2-NH2 3.24Å; R99-Q101 PolarHBondContact O-N 3.23Å; R99-L102 WeakPolarHBondContact O-CB 3.4Å; R99-L102 PolarHBondContact O-N 2.59Å; R99-L102 VanDerWaalsContact O-N 3.15Å; R99-E103 PolarHBondContact O-N 2.82Å |
| 100 | H | 94.9 | Very high | 95 | Very high | 113 Ų | 113 | 113.3 Ų | 113.3 | 52% | 0.523 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.8 | -36.6 | 179.6 | -171.3 | 58.1 | 0 | 0 | 0 | 112.8 | S96 E97 E98 L102 E103 L104 | S96-H100 WeakPolarHBondContact O-CB 3.45Å; S96-H100 PolarHBondContact O-N 2.95Å; E97-H100 PolarHBondContact O-N 3.33Å; E98-H100 PolarHBondContact O-N 3.24Å; H100-L102 VanDerWaalsContact C-N 3.32Å; H100-L102 PolarHBondContact O-N 3.04Å; H100-E103 IonicContact ND1-OE2 3.94Å; H100-E103 PolarHBondContact O-N 2.97Å; H100-L104 WeakPolarHBondContact O-CB 3.49Å; H100-L104 PolarHBondContact O-N 2.95Å |
| 101 | Q | 95 | Very high | 95.1 | Very high | 102 Ų | 102 | 111.6 Ų | 111.6 | 48% | 0.477 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.3 | -34.8 | 173 | -77.3 | -172.9 | 47 | 0 | 0 | 112.7 | E97 E98 R99 K105 | E97-Q101 WeakPolarHBondContact O-CB 3.5Å; E97-Q101 VanDerWaalsContact O-CG 3.31Å; E97-Q101 WeakPolarHBondContact O-CG 3.14Å; E97-Q101 PolarHBondContact O-N 3.38Å; E98-Q101 PolarHBondContact O-N 3.29Å; R99-Q101 PolarHBondContact O-N 3.23Å; Q101-K105 VanDerWaalsContact O-CD 3.25Å; Q101-K105 WeakPolarHBondContact O-CD 3.4Å; Q101-K105 WeakPolarHBondContact O-CE 3.48Å; Q101-K105 WeakPolarHBondContact O-CG 3.27Å; Q101-K105 PolarHBondContact O-N 3.12Å |
| 102 | L | 95.2 | Very high | 95.2 | Very high | 104 Ų | 104 | 111 Ų | 111 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69 | -47 | 174.6 | -72.4 | 167.4 | 0 | 0 | 0 | 111.1 | E98 R99 H100 L104 K105 V106 | E98-L102 WeakPolarHBondContact O-CG 3.34Å; E98-L102 PolarHBondContact O-N 2.97Å; R99-L102 WeakPolarHBondContact O-CB 3.4Å; R99-L102 PolarHBondContact O-N 2.59Å; R99-L102 VanDerWaalsContact O-N 3.15Å; H100-L102 VanDerWaalsContact C-N 3.32Å; H100-L102 PolarHBondContact O-N 3.04Å; L102-L104 VanDerWaalsContact C-N 3.34Å; L102-L104 PolarHBondContact O-N 3.41Å; L102-K105 WeakPolarHBondContact O-CB 3.49Å; L102-K105 PolarHBondContact O-N 2.86Å; L102-K105 VanDerWaalsContact O-N 3.13Å; L102-V106 WeakPolarHBondContact O-CG2 3.26Å; L102-V106 PolarHBondContact O-N 3.02Å |
| 103 | E | 94.2 | Very high | 95.3 | Very high | 101 Ų | 101 | 111.8 Ų | 111.8 | 47% | 0.472 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -55.1 | -47.8 | 172.7 | -71.8 | 179.4 | 171.9 | 0 | 0 | 111.8 | R99 H100 K105 V106 Y107 | R99-E103 PolarHBondContact O-N 2.82Å; H100-E103 IonicContact ND1-OE2 3.94Å; H100-E103 PolarHBondContact O-N 2.97Å; E103-K105 PolarHBondContact O-N 3.25Å; E103-V106 CarbonylContact O-C 3.58Å; E103-V106 PolarHBondContact O-N 2.93Å; E103-Y107 HydrophobicContact CB-CD2 4.25Å; E103-Y107 HydrophobicContact CB-CE2 4.09Å; E103-Y107 WeakPolarHBondContact O-CD2 3.44Å; E103-Y107 PolarHBondContact O-N 3.39Å |
| 104 | L | 94.4 | Very high | 95.4 | Very high | 76 Ų | 76 | 109.6 Ų | 109.6 | 40% | 0.398 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62 | -32.2 | 179.6 | -161.6 | 77.8 | 0 | 0 | 0 | 112.3 | H100 L102 K108 | H100-L104 WeakPolarHBondContact O-CB 3.49Å; H100-L104 PolarHBondContact O-N 2.95Å; L102-L104 VanDerWaalsContact C-N 3.34Å; L102-L104 PolarHBondContact O-N 3.41Å; L104-K108 WeakPolarHBondContact O-CB 3.39Å; L104-K108 WeakPolarHBondContact O-CD 3.48Å; L104-K108 WeakPolarHBondContact O-CG 3.29Å; L104-K108 PolarHBondContact O-N 2.99Å; L104-K108 VanDerWaalsContact O-N 3.11Å |
| 105 | K | 96.4 | Very high | 95.5 | Very high | 118 Ų | 118 | 109 Ų | 109 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.7 | -43.8 | 172.3 | -70 | 158.6 | -166.9 | 162.5 | 0 | 111 | Q101 L102 E103 K108 Q109 | Q101-K105 VanDerWaalsContact O-CD 3.25Å; Q101-K105 WeakPolarHBondContact O-CD 3.4Å; Q101-K105 WeakPolarHBondContact O-CE 3.48Å; Q101-K105 WeakPolarHBondContact O-CG 3.27Å; Q101-K105 PolarHBondContact O-N 3.12Å; L102-K105 WeakPolarHBondContact O-CB 3.49Å; L102-K105 PolarHBondContact O-N 2.86Å; L102-K105 VanDerWaalsContact O-N 3.13Å; E103-K105 PolarHBondContact O-N 3.25Å; K105-K108 PolarHBondContact O-N 3.22Å; K105-Q109 PolarHBondContact O-N 3.42Å |
| 106 | V | 96.8 | Very high | 95.6 | Very high | 97 Ų | 97 | 111.8 Ų | 111.8 | 59% | 0.588 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.7 | -47.6 | 176.5 | 173 | 0 | 0 | 0 | 0 | 111.4 | L102 E103 K108 Q109 K110 | L102-V106 WeakPolarHBondContact O-CG2 3.26Å; L102-V106 PolarHBondContact O-N 3.02Å; E103-V106 CarbonylContact O-C 3.58Å; E103-V106 PolarHBondContact O-N 2.93Å; V106-K108 PolarHBondContact O-N 3.23Å; V106-Q109 PolarHBondContact O-N 3.02Å; V106-Q109 VanDerWaalsContact O-N 3.16Å; V106-K110 PolarHBondContact O-N 2.94Å |
| 107 | Y | 96 | Very high | 95.7 | Very high | 151 Ų | 151 | 112.8 Ų | 112.8 | 59% | 0.592 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.6 | -43.7 | 176.6 | -73.1 | -60.3 | 0 | 0 | 0 | 112.1 | E103 Q109 K110 V111 | E103-Y107 HydrophobicContact CB-CD2 4.25Å; E103-Y107 HydrophobicContact CB-CE2 4.09Å; E103-Y107 WeakPolarHBondContact O-CD2 3.44Å; E103-Y107 PolarHBondContact O-N 3.39Å; Y107-Q109 VanDerWaalsContact C-N 3.29Å; Y107-Q109 PolarHBondContact O-N 3.21Å; Y107-K110 PolarHBondContact O-N 3.39Å; Y107-V111 WeakPolarHBondContact O-CG2 3.28Å; Y107-V111 PolarHBondContact O-N 3.27Å |
| 108 | K | 95.7 | Very high | 95.8 | Very high | 130 Ų | 130 | 111.7 Ų | 111.7 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.6 | -37.8 | 174 | -78 | 170.9 | -179.7 | 174 | 0 | 112.4 | L104 K105 V106 K112 | L104-K108 WeakPolarHBondContact O-CB 3.39Å; L104-K108 WeakPolarHBondContact O-CD 3.48Å; L104-K108 WeakPolarHBondContact O-CG 3.29Å; L104-K108 PolarHBondContact O-N 2.99Å; L104-K108 VanDerWaalsContact O-N 3.11Å; K105-K108 PolarHBondContact O-N 3.22Å; V106-K108 PolarHBondContact O-N 3.23Å; K108-K112 WeakPolarHBondContact O-CG 3.47Å; K108-K112 PolarHBondContact O-N 3.48Å; K108-K112 VanDerWaalsContact O-N 3.14Å |
| 109 | Q | 96.1 | Very high | 95.9 | Very high | 119 Ų | 119 | 110.9 Ų | 110.9 | 56% | 0.556 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -72.6 | -38.1 | 176.3 | -171 | 60.9 | 15.6 | 0 | 0 | 112.4 | K105 V106 Y107 K112 H113 | K105-Q109 PolarHBondContact O-N 3.42Å; V106-Q109 PolarHBondContact O-N 3.02Å; V106-Q109 VanDerWaalsContact O-N 3.16Å; Y107-Q109 VanDerWaalsContact C-N 3.29Å; Y107-Q109 PolarHBondContact O-N 3.21Å; Q109-K112 PolarHBondContact O-N 3.06Å; Q109-H113 PolarHBondContact O-N 3.35Å |
| 110 | K | 96.2 | Very high | 96 | Very high | 134 Ų | 134 | 108.3 Ų | 108.3 | 58% | 0.583 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.8 | -40 | 176.1 | -166.9 | 170.1 | -176.2 | 176 | 0 | 112.1 | V106 Y107 H113 L114 | V106-K110 PolarHBondContact O-N 2.94Å; Y107-K110 PolarHBondContact O-N 3.39Å; K110-H113 PolarHBondContact O-N 2.83Å; K110-L114 PolarHBondContact O-N 3.28Å |
| 111 | V | 96.3 | Very high | 96 | Very high | 83 Ų | 83 | 106.4 Ų | 106.4 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 172.6 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | Y107 H113 L114 L115 | Y107-V111 WeakPolarHBondContact O-CG2 3.28Å; Y107-V111 PolarHBondContact O-N 3.27Å; V111-H113 VanDerWaalsContact C-N 3.31Å; V111-H113 PolarHBondContact O-N 2.9Å; V111-L114 PolarHBondContact O-N 2.85Å; V111-L115 HydrophobicContact CG1-CD1 3.97Å; V111-L115 HydrophobicContact CG1-CG 4.44Å; V111-L115 WeakPolarHBondContact O-CG 3.35Å; V111-L115 PolarHBondContact O-N 3.15Å |
| 112 | K | 96.8 | Very high | 96.1 | Very high | 138 Ų | 138 | 105.4 Ų | 105.4 | 60% | 0.6 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.6 | -40.6 | 173.9 | -78.1 | 179.9 | 176.9 | -174.8 | 0 | 112.7 | K108 Q109 Y116 | K108-K112 WeakPolarHBondContact O-CG 3.47Å; K108-K112 PolarHBondContact O-N 3.48Å; K108-K112 VanDerWaalsContact O-N 3.14Å; Q109-K112 PolarHBondContact O-N 3.06Å; K112-Y116 WeakPolarHBondContact O-CB 3.43Å; K112-Y116 PolarHBondContact O-N 3.42Å |
| 113 | H | 95.9 | Very high | 96.1 | Very high | 112 Ų | 112 | 103 Ų | 103 | 52% | 0.519 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.5 | -48.2 | 178.6 | -176.2 | 44.5 | 0 | 0 | 0 | 111.7 | Q109 K110 V111 L115 Y116 E117 | Q109-H113 PolarHBondContact O-N 3.35Å; K110-H113 PolarHBondContact O-N 2.83Å; V111-H113 VanDerWaalsContact C-N 3.31Å; V111-H113 PolarHBondContact O-N 2.9Å; H113-L115 VanDerWaalsContact C-N 3.34Å; H113-L115 PolarHBondContact O-N 3.45Å; H113-Y116 PolarHBondContact O-N 3.44Å; H113-Y116 VanDerWaalsContact O-N 3.14Å; H113-E117 WeakPolarHBondContact O-CB 3.48Å; H113-E117 PolarHBondContact O-N 2.97Å |
| 114 | L | 96.5 | Very high | 96.2 | Very high | 74 Ų | 74 | 104 Ų | 104 | 39% | 0.387 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.2 | -42.4 | 175.2 | -78.5 | 163.4 | 0 | 0 | 0 | 112.7 | K110 V111 Y116 E117 H118 | K110-L114 PolarHBondContact O-N 3.28Å; V111-L114 PolarHBondContact O-N 2.85Å; L114-Y116 VanDerWaalsContact C-N 3.34Å; L114-Y116 PolarHBondContact O-N 3.47Å; L114-E117 PolarHBondContact O-N 3.37Å; L114-H118 WeakPolarHBondContact O-CB 3.25Å; L114-H118 PolarHBondContact O-CD2 3.26Å; L114-H118 VanDerWaalsContact O-CG 3.27Å; L114-H118 PolarHBondContact O-N 3.24Å |
| 115 | L | 96 | Very high | 96.3 | Very high | 114 Ų | 114 | 105.2 Ų | 105.2 | 60% | 0.597 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65 | -37.2 | 176.5 | -71.6 | 171.5 | 0 | 0 | 0 | 112.5 | V111 H113 Q119 | V111-L115 HydrophobicContact CG1-CD1 3.97Å; V111-L115 HydrophobicContact CG1-CG 4.44Å; V111-L115 WeakPolarHBondContact O-CG 3.35Å; V111-L115 PolarHBondContact O-N 3.15Å; H113-L115 VanDerWaalsContact C-N 3.34Å; H113-L115 PolarHBondContact O-N 3.45Å; L115-Q119 VanDerWaalsContact O-CB 3.31Å; L115-Q119 WeakPolarHBondContact O-CB 3.31Å; L115-Q119 PolarHBondContact O-N 3.06Å; L115-Q119 VanDerWaalsContact O-N 3.09Å |
| 116 | Y | 97.3 | Very high | 96.3 | Very high | 144 Ų | 144 | 106.1 Ų | 106.1 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.9 | -43.2 | 175.4 | 178.3 | -102.4 | 0 | 0 | 0 | 112 | K112 H113 L114 Q119 N120 | K112-Y116 WeakPolarHBondContact O-CB 3.43Å; K112-Y116 PolarHBondContact O-N 3.42Å; H113-Y116 PolarHBondContact O-N 3.44Å; H113-Y116 VanDerWaalsContact O-N 3.14Å; L114-Y116 VanDerWaalsContact C-N 3.34Å; L114-Y116 PolarHBondContact O-N 3.47Å; Y116-Q119 PolarHBondContact O-N 2.95Å; Y116-N120 VanDerWaalsContact CE1-ND2 3.28Å; Y116-N120 WeakPolarHBondContact CE1-ND2 3.26Å; Y116-N120 VanDerWaalsContact CZ-ND2 3.31Å; Y116-N120 PolarHBondContact O-N 2.98Å; Y116-N120 PolarHBondContact OH-ND2 3.48Å |
| 117 | E | 96.4 | Very high | 96.3 | Very high | 84 Ų | 84 | 104.2 Ų | 104.2 | 39% | 0.393 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -49.4 | 176.4 | -174.1 | 178 | -142.3 | 0 | 0 | 111.3 | H113 L114 Q119 N120 N121 | H113-E117 WeakPolarHBondContact O-CB 3.48Å; H113-E117 PolarHBondContact O-N 2.97Å; L114-E117 PolarHBondContact O-N 3.37Å; E117-Q119 VanDerWaalsContact C-N 3.29Å; E117-Q119 PolarHBondContact O-N 2.74Å; E117-N120 PolarHBondContact O-N 2.87Å; E117-N120 VanDerWaalsContact O-N 3.17Å; E117-N121 PolarHBondContact O-N 2.9Å; E117-N121 PolarHBondContact O-OD1 2.99Å; E117-N121 VanDerWaalsContact O-OD1 3.05Å |
| 118 | H | 96.2 | Very high | 96.2 | Very high | 108 Ų | 108 | 102.2 Ų | 102.2 | 50% | 0.5 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.8 | -39.9 | 173.4 | -70.1 | -39.1 | 0 | 0 | 0 | 112.5 | L114 I122 | L114-H118 WeakPolarHBondContact O-CB 3.25Å; L114-H118 PolarHBondContact O-CD2 3.26Å; L114-H118 VanDerWaalsContact O-CG 3.27Å; L114-H118 PolarHBondContact O-N 3.24Å; H118-I122 WeakPolarHBondContact O-CB 3.39Å; H118-I122 WeakPolarHBondContact O-CD1 3.49Å; H118-I122 WeakPolarHBondContact O-CG1 3.43Å; H118-I122 PolarHBondContact O-N 2.88Å |
| 119 | Q | 96.8 | Very high | 96.2 | Very high | 106 Ų | 106 | 99.9 Ų | 99.9 | 50% | 0.495 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68 | -37.8 | 177.4 | -179.1 | 56.1 | 56.2 | 0 | 0 | 112.4 | L115 Y116 E117 S123 | L115-Q119 VanDerWaalsContact O-CB 3.31Å; L115-Q119 WeakPolarHBondContact O-CB 3.31Å; L115-Q119 PolarHBondContact O-N 3.06Å; L115-Q119 VanDerWaalsContact O-N 3.09Å; Y116-Q119 PolarHBondContact O-N 2.95Å; E117-Q119 VanDerWaalsContact C-N 3.29Å; E117-Q119 PolarHBondContact O-N 2.74Å; Q119-S123 PolarHBondContact NE2-OG 3.46Å; Q119-S123 VanDerWaalsContact NE2-OG 3.15Å; Q119-S123 WeakPolarHBondContact O-CB 3.4Å; Q119-S123 PolarHBondContact O-N 2.96Å; Q119-S123 VanDerWaalsContact O-N 3.16Å; Q119-S123 PolarHBondContact O-OG 2.95Å |
| 120 | N | 96.1 | Very high | 96.2 | Very high | 67 Ų | 67 | 97 Ų | 97 | 36% | 0.358 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.8 | -52.2 | 172.5 | -83.1 | 5 | 0 | 0 | 0 | 110.8 | Y116 E117 I122 S123 E124 | Y116-N120 VanDerWaalsContact CE1-ND2 3.28Å; Y116-N120 WeakPolarHBondContact CE1-ND2 3.26Å; Y116-N120 VanDerWaalsContact CZ-ND2 3.31Å; Y116-N120 PolarHBondContact O-N 2.98Å; Y116-N120 PolarHBondContact OH-ND2 3.48Å; E117-N120 PolarHBondContact O-N 2.87Å; E117-N120 VanDerWaalsContact O-N 3.17Å; N120-I122 VanDerWaalsContact C-N 3.29Å; N120-I122 PolarHBondContact O-N 2.96Å; N120-S123 CarbonylContact O-C 3.6Å; N120-S123 WeakPolarHBondContact O-CA 3.49Å; N120-S123 WeakPolarHBondContact O-CB 3.2Å; N120-S123 PolarHBondContact O-N 3.2Å; N120-E124 PolarHBondContact O-N 3.29Å |
| 121 | N | 96.5 | Very high | 96.1 | Very high | 72 Ų | 72 | 94 Ų | 94 | 39% | 0.385 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.5 | -38.4 | -178 | -60.9 | 8.6 | 0 | 0 | 0 | 111.7 | E117 S123 E124 L125 | E117-N121 PolarHBondContact O-N 2.9Å; E117-N121 PolarHBondContact O-OD1 2.99Å; E117-N121 VanDerWaalsContact O-OD1 3.05Å; N121-S123 VanDerWaalsContact C-N 3.27Å; N121-S123 PolarHBondContact O-N 2.84Å; N121-E124 PolarHBondContact O-N 2.84Å; N121-L125 WeakPolarHBondContact O-CB 3.49Å; N121-L125 VanDerWaalsContact O-CG 3.28Å; N121-L125 WeakPolarHBondContact O-CG 3.24Å; N121-L125 PolarHBondContact O-N 3Å |
| 122 | I | 96.4 | Very high | 96.1 | Very high | 81 Ų | 81 | 92.7 Ų | 92.7 | 42% | 0.415 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65 | -30.4 | 172.9 | -73.3 | 167.3 | 0 | 0 | 0 | 112.2 | H118 N120 K126 | H118-I122 WeakPolarHBondContact O-CB 3.39Å; H118-I122 WeakPolarHBondContact O-CD1 3.49Å; H118-I122 WeakPolarHBondContact O-CG1 3.43Å; H118-I122 PolarHBondContact O-N 2.88Å; N120-I122 VanDerWaalsContact C-N 3.29Å; N120-I122 PolarHBondContact O-N 2.96Å; I122-K126 HydrophobicContact CG2-CD 4.33Å; I122-K126 WeakPolarHBondContact O-CB 3.43Å; I122-K126 VanDerWaalsContact O-CD 3.3Å; I122-K126 WeakPolarHBondContact O-CD 3.48Å; I122-K126 WeakPolarHBondContact O-CG 3.29Å; I122-K126 PolarHBondContact O-N 3.36Å |
| 123 | S | 95.8 | Very high | 96 | Very high | 53 Ų | 53 | 90.4 Ų | 90.4 | 37% | 0.371 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -80.9 | -37.9 | 179.5 | -53.4 | 0 | 0 | 0 | 0 | 111.6 | Q119 N120 N121 K126 A127 | Q119-S123 PolarHBondContact NE2-OG 3.46Å; Q119-S123 VanDerWaalsContact NE2-OG 3.15Å; Q119-S123 WeakPolarHBondContact O-CB 3.4Å; Q119-S123 PolarHBondContact O-N 2.96Å; Q119-S123 VanDerWaalsContact O-N 3.16Å; Q119-S123 PolarHBondContact O-OG 2.95Å; N120-S123 CarbonylContact O-C 3.6Å; N120-S123 WeakPolarHBondContact O-CA 3.49Å; N120-S123 WeakPolarHBondContact O-CB 3.2Å; N120-S123 PolarHBondContact O-N 3.2Å; N121-S123 VanDerWaalsContact C-N 3.27Å; N121-S123 PolarHBondContact O-N 2.84Å; S123-K126 PolarHBondContact O-N 2.82Å; S123-A127 PolarHBondContact O-N 3.2Å |
| 124 | E | 96.4 | Very high | 96 | Very high | 123 Ų | 123 | 91.9 Ų | 91.9 | 58% | 0.575 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.9 | -53.3 | 174.3 | -172.1 | 161.3 | -134.3 | 0 | 0 | 111.3 | N120 N121 K126 A127 E128 | N120-E124 PolarHBondContact O-N 3.29Å; N121-E124 PolarHBondContact O-N 2.84Å; E124-K126 PolarHBondContact O-N 2.91Å; E124-K126 VanDerWaalsContact O-N 3.12Å; E124-A127 CarbonylContact O-C 3.49Å; E124-A127 WeakPolarHBondContact O-CA 3.31Å; E124-A127 WeakPolarHBondContact O-CB 3.4Å; E124-A127 PolarHBondContact O-N 3.26Å; E124-E128 PolarHBondContact O-N 3.23Å |
| 125 | L | 95.7 | Very high | 96 | Very high | 102 Ų | 102 | 92.2 Ų | 92.2 | 53% | 0.534 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -55.5 | -33.6 | 175 | -73.8 | 168.1 | 0 | 0 | 0 | 112.9 | N121 T129 | N121-L125 WeakPolarHBondContact O-CB 3.49Å; N121-L125 VanDerWaalsContact O-CG 3.28Å; N121-L125 WeakPolarHBondContact O-CG 3.24Å; N121-L125 PolarHBondContact O-N 3Å; L125-T129 VanDerWaalsContact O-CB 3.27Å; L125-T129 WeakPolarHBondContact O-CB 3.5Å; L125-T129 PolarHBondContact O-N 2.84Å; L125-T129 PolarHBondContact O-OG1 3.18Å |
| 126 | K | 96.6 | Very high | 95.9 | Very high | 137 Ų | 137 | 90.7 Ų | 90.7 | 60% | 0.596 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -70.7 | -38.8 | 173.9 | -79 | 171.7 | -175.6 | 173.5 | 0 | 112.5 | I122 S123 E124 A130 | I122-K126 HydrophobicContact CG2-CD 4.33Å; I122-K126 WeakPolarHBondContact O-CB 3.43Å; I122-K126 VanDerWaalsContact O-CD 3.3Å; I122-K126 WeakPolarHBondContact O-CD 3.48Å; I122-K126 WeakPolarHBondContact O-CG 3.29Å; I122-K126 PolarHBondContact O-N 3.36Å; S123-K126 PolarHBondContact O-N 2.82Å; E124-K126 PolarHBondContact O-N 2.91Å; E124-K126 VanDerWaalsContact O-N 3.12Å; K126-A130 WeakPolarHBondContact O-CB 3.49Å; K126-A130 PolarHBondContact O-N 3.27Å |
| 127 | A | 95.9 | Very high | 95.8 | Very high | 57 Ų | 57 | 89.2 Ų | 89.2 | 47% | 0.471 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.8 | -45.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S123 E124 A130 T131 | S123-A127 PolarHBondContact O-N 3.2Å; E124-A127 CarbonylContact O-C 3.49Å; E124-A127 WeakPolarHBondContact O-CA 3.31Å; E124-A127 WeakPolarHBondContact O-CB 3.4Å; E124-A127 PolarHBondContact O-N 3.26Å; A127-A130 PolarHBondContact O-N 2.92Å; A127-T131 PolarHBondContact O-N 3.37Å; A127-T131 PolarHBondContact O-OG1 3.02Å |
| 128 | E | 95.3 | Very high | 95.8 | Very high | 108 Ų | 108 | 89 Ų | 89 | 51% | 0.505 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 174.2 | -67.3 | -175.8 | 138.7 | 0 | 0 | 112.2 | E124 A130 T131 A132 | E124-E128 PolarHBondContact O-N 3.23Å; E128-A130 VanDerWaalsContact C-N 3.29Å; E128-A130 PolarHBondContact O-N 3Å; E128-T131 PolarHBondContact O-N 3.19Å; E128-T131 PolarHBondContact O-OG1 2.91Å; E128-A132 VanDerWaalsContact O-CB 3.26Å; E128-A132 WeakPolarHBondContact O-CB 3.45Å; E128-A132 PolarHBondContact O-N 3.47Å |
| 129 | T | 94.1 | Very high | 95.7 | Very high | 81 Ų | 81 | 88.8 Ų | 88.8 | 50% | 0.497 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 176.2 | -59.4 | 0 | 0 | 0 | 0 | 111.1 | L125 I133 | L125-T129 VanDerWaalsContact O-CB 3.27Å; L125-T129 WeakPolarHBondContact O-CB 3.5Å; L125-T129 PolarHBondContact O-N 2.84Å; L125-T129 PolarHBondContact O-OG1 3.18Å; T129-I133 HydrophobicContact CG2-CD1 3.87Å; T129-I133 WeakPolarHBondContact O-CB 3.36Å; T129-I133 WeakPolarHBondContact O-CD1 3.14Å; T129-I133 WeakPolarHBondContact O-CG1 3.4Å; T129-I133 PolarHBondContact O-N 3.27Å |
| 130 | A | 96 | Very high | 95.6 | Very high | 60 Ų | 60 | 89.7 Ų | 89.7 | 50% | 0.496 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.8 | -39.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | K126 A127 E128 R134 | K126-A130 WeakPolarHBondContact O-CB 3.49Å; K126-A130 PolarHBondContact O-N 3.27Å; A127-A130 PolarHBondContact O-N 2.92Å; E128-A130 VanDerWaalsContact C-N 3.29Å; E128-A130 PolarHBondContact O-N 3Å; A130-R134 PolarHBondContact O-N 3.42Å; A130-R134 VanDerWaalsContact O-N 3.12Å |
| 131 | T | 96.1 | Very high | 95.6 | Very high | 69 Ų | 69 | 92 Ų | 92 | 42% | 0.423 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70 | -41 | 175.9 | 54.6 | 0 | 0 | 0 | 0 | 111.6 | A127 E128 R134 I135 | A127-T131 PolarHBondContact O-N 3.37Å; A127-T131 PolarHBondContact O-OG1 3.02Å; E128-T131 PolarHBondContact O-N 3.19Å; E128-T131 PolarHBondContact O-OG1 2.91Å; T131-R134 PolarHBondContact O-N 2.82Å; T131-I135 WeakPolarHBondContact O-CG1 3.49Å; T131-I135 PolarHBondContact O-N 3.13Å |
| 132 | A | 95 | Very high | 95.6 | Very high | 56 Ų | 56 | 94.7 Ų | 94.7 | 46% | 0.463 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E128 R134 I135 N136 | E128-A132 VanDerWaalsContact O-CB 3.26Å; E128-A132 WeakPolarHBondContact O-CB 3.45Å; E128-A132 PolarHBondContact O-N 3.47Å; A132-R134 VanDerWaalsContact C-N 3.34Å; A132-R134 PolarHBondContact O-N 3.41Å; A132-I135 PolarHBondContact O-N 3.06Å; A132-N136 WeakPolarHBondContact O-CB 3.49Å; A132-N136 PolarHBondContact O-N 2.93Å |
| 133 | I | 95 | Very high | 95.5 | Very high | 91 Ų | 91 | 94.6 Ų | 94.6 | 47% | 0.467 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 174.1 | -72.6 | 167.5 | 0 | 0 | 0 | 110.9 | T129 N136 Q137 | T129-I133 HydrophobicContact CG2-CD1 3.87Å; T129-I133 WeakPolarHBondContact O-CB 3.36Å; T129-I133 WeakPolarHBondContact O-CD1 3.14Å; T129-I133 WeakPolarHBondContact O-CG1 3.4Å; T129-I133 PolarHBondContact O-N 3.27Å; I133-N136 PolarHBondContact O-N 3.49Å; I133-Q137 HydrophobicContact CG2-CG 4.49Å; I133-Q137 WeakPolarHBondContact O-CB 3.25Å; I133-Q137 VanDerWaalsContact O-CG 3.29Å; I133-Q137 WeakPolarHBondContact O-CG 3.23Å; I133-Q137 PolarHBondContact O-N 3.32Å |
| 134 | R | 96.3 | Very high | 95.4 | Very high | 142 Ų | 142 | 96.7 Ų | 96.7 | 54% | 0.536 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 178.9 | -164.6 | -169.4 | 75.3 | -151.9 | -8.9 | 112.2 | A130 T131 A132 N136 Q137 E138 | A130-R134 PolarHBondContact O-N 3.42Å; A130-R134 VanDerWaalsContact O-N 3.12Å; T131-R134 PolarHBondContact O-N 2.82Å; A132-R134 VanDerWaalsContact C-N 3.34Å; A132-R134 PolarHBondContact O-N 3.41Å; R134-N136 VanDerWaalsContact C-N 3.34Å; R134-N136 PolarHBondContact O-N 2.86Å; R134-Q137 WeakPolarHBondContact O-CB 3.38Å; R134-Q137 PolarHBondContact O-N 2.89Å; R134-E138 IonicContact CZ-OE1 3.72Å; R134-E138 IonicContact NE-OE1 2.68Å; R134-E138 PolarHBondContact NE-OE1 3.19Å; R134-E138 WeakPolarHBondContact O-CG 3.46Å; R134-E138 PolarHBondContact O-N 2.97Å |
| 135 | I | 95.4 | Very high | 95.4 | Very high | 82 Ų | 82 | 92.7 Ų | 92.7 | 42% | 0.421 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.5 | -48 | 178.1 | -69.1 | 163.5 | 0 | 0 | 0 | 110.2 | T131 A132 Q137 E138 E139 | T131-I135 WeakPolarHBondContact O-CG1 3.49Å; T131-I135 PolarHBondContact O-N 3.13Å; A132-I135 PolarHBondContact O-N 3.06Å; I135-Q137 VanDerWaalsContact C-N 3.33Å; I135-Q137 PolarHBondContact O-N 3.48Å; I135-E138 WeakPolarHBondContact O-CB 3.44Å; I135-E138 PolarHBondContact O-N 2.79Å; I135-E138 VanDerWaalsContact O-N 3.14Å; I135-E139 WeakPolarHBondContact O-CG 3.29Å; I135-E139 PolarHBondContact O-N 3.35Å |
| 136 | N | 95 | Very high | 95.4 | Very high | 82 Ų | 82 | 92.9 Ų | 92.9 | 44% | 0.439 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.8 | -35.5 | 179.4 | -162.8 | 0.9 | 0 | 0 | 0 | 112.2 | A132 I133 R134 E139 H140 | A132-N136 WeakPolarHBondContact O-CB 3.49Å; A132-N136 PolarHBondContact O-N 2.93Å; I133-N136 PolarHBondContact O-N 3.49Å; R134-N136 VanDerWaalsContact C-N 3.34Å; R134-N136 PolarHBondContact O-N 2.86Å; N136-E139 PolarHBondContact O-N 3.48Å; N136-H140 WeakPolarHBondContact O-CB 3.43Å; N136-H140 PolarHBondContact O-CD2 3.24Å; N136-H140 VanDerWaalsContact O-CD2 3.32Å; N136-H140 PolarHBondContact O-N 3.17Å; N136-H140 PolarHBondContact OD1-NE2 2.84Å |
| 137 | Q | 95 | Very high | 95.3 | Very high | 113 Ų | 113 | 91.6 Ų | 91.6 | 53% | 0.528 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 170.8 | -74.8 | 173.4 | -5.4 | 0 | 0 | 112.5 | I133 R134 I135 E139 H140 L141 | I133-Q137 HydrophobicContact CG2-CG 4.49Å; I133-Q137 WeakPolarHBondContact O-CB 3.25Å; I133-Q137 VanDerWaalsContact O-CG 3.29Å; I133-Q137 WeakPolarHBondContact O-CG 3.23Å; I133-Q137 PolarHBondContact O-N 3.32Å; R134-Q137 WeakPolarHBondContact O-CB 3.38Å; R134-Q137 PolarHBondContact O-N 2.89Å; I135-Q137 VanDerWaalsContact C-N 3.33Å; I135-Q137 PolarHBondContact O-N 3.48Å; Q137-E139 VanDerWaalsContact C-N 3.33Å; Q137-E139 PolarHBondContact O-N 2.95Å; Q137-H140 PolarHBondContact O-N 2.9Å; Q137-L141 WeakPolarHBondContact O-CB 3.21Å; Q137-L141 VanDerWaalsContact O-CG 3.29Å; Q137-L141 WeakPolarHBondContact O-CG 3.42Å; Q137-L141 PolarHBondContact O-N 3.36Å |
| 138 | E | 96 | Very high | 95.3 | Very high | 78 Ų | 78 | 95.9 Ų | 95.9 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -37 | 175.7 | -70.7 | 174.7 | -139.7 | 0 | 0 | 112.1 | R134 I135 K142 | R134-E138 IonicContact CZ-OE1 3.72Å; R134-E138 IonicContact NE-OE1 2.68Å; R134-E138 PolarHBondContact NE-OE1 3.19Å; R134-E138 WeakPolarHBondContact O-CG 3.46Å; R134-E138 PolarHBondContact O-N 2.97Å; I135-E138 WeakPolarHBondContact O-CB 3.44Å; I135-E138 PolarHBondContact O-N 2.79Å; I135-E138 VanDerWaalsContact O-N 3.14Å; E138-K142 WeakPolarHBondContact O-CD 3.34Å; E138-K142 VanDerWaalsContact O-CG 3.24Å; E138-K142 WeakPolarHBondContact O-CG 3.19Å; E138-K142 PolarHBondContact O-N 3.41Å; E138-K142 VanDerWaalsContact O-N 3.09Å |
| 139 | E | 95.2 | Very high | 95.4 | Very high | 105 Ų | 105 | 96 Ų | 96 | 49% | 0.491 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.2 | -46.7 | 175 | -72.5 | -179.6 | 168.9 | 0 | 0 | 112.4 | I135 N136 Q137 L141 K142 V143 | I135-E139 WeakPolarHBondContact O-CG 3.29Å; I135-E139 PolarHBondContact O-N 3.35Å; N136-E139 PolarHBondContact O-N 3.48Å; Q137-E139 VanDerWaalsContact C-N 3.33Å; Q137-E139 PolarHBondContact O-N 2.95Å; E139-L141 VanDerWaalsContact C-N 3.28Å; E139-L141 PolarHBondContact O-N 3.17Å; E139-K142 PolarHBondContact O-N 3.11Å; E139-K142 VanDerWaalsContact O-N 3.16Å; E139-V143 WeakPolarHBondContact O-CG2 3.5Å; E139-V143 PolarHBondContact O-N 3.22Å |
| 140 | H | 94.2 | Very high | 95.4 | Very high | 124 Ų | 124 | 96.3 Ų | 96.3 | 57% | 0.574 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.3 | -38.3 | 173.5 | -76.8 | -38.6 | 0 | 0 | 0 | 112.6 | N136 Q137 Q144 | N136-H140 WeakPolarHBondContact O-CB 3.43Å; N136-H140 PolarHBondContact O-CD2 3.24Å; N136-H140 VanDerWaalsContact O-CD2 3.32Å; N136-H140 PolarHBondContact O-N 3.17Å; N136-H140 PolarHBondContact OD1-NE2 2.84Å; Q137-H140 PolarHBondContact O-N 2.9Å; H140-Q144 WeakPolarHBondContact O-CB 3.44Å; H140-Q144 PolarHBondContact O-N 2.95Å |
| 141 | L | 95.9 | Very high | 95.4 | Very high | 116 Ų | 116 | 98 Ų | 98 | 61% | 0.607 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.6 | -41.1 | 175.1 | -74.5 | 169 | 0 | 0 | 0 | 112.3 | Q137 E139 Q144 G145 | Q137-L141 WeakPolarHBondContact O-CB 3.21Å; Q137-L141 VanDerWaalsContact O-CG 3.29Å; Q137-L141 WeakPolarHBondContact O-CG 3.42Å; Q137-L141 PolarHBondContact O-N 3.36Å; E139-L141 VanDerWaalsContact C-N 3.28Å; E139-L141 PolarHBondContact O-N 3.17Å; L141-Q144 PolarHBondContact O-N 3.47Å; L141-G145 PolarHBondContact O-N 2.88Å |
| 142 | K | 95.9 | Very high | 95.3 | Very high | 128 Ų | 128 | 100.8 Ų | 100.8 | 56% | 0.557 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.2 | -47.3 | 174.1 | -70.8 | 159.1 | -168.6 | 159.6 | 0 | 111.3 | E138 E139 Q144 G145 L146 | E138-K142 WeakPolarHBondContact O-CD 3.34Å; E138-K142 VanDerWaalsContact O-CG 3.24Å; E138-K142 WeakPolarHBondContact O-CG 3.19Å; E138-K142 PolarHBondContact O-N 3.41Å; E138-K142 VanDerWaalsContact O-N 3.09Å; E139-K142 PolarHBondContact O-N 3.11Å; E139-K142 VanDerWaalsContact O-N 3.16Å; K142-Q144 PolarHBondContact O-N 3.38Å; K142-G145 PolarHBondContact O-N 3.38Å; K142-L146 PolarHBondContact O-N 2.77Å |
| 143 | V | 94.8 | Very high | 95.4 | Very high | 79 Ų | 79 | 101.2 Ų | 101.2 | 48% | 0.479 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 177.5 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | E139 G145 L146 L147 | E139-V143 WeakPolarHBondContact O-CG2 3.5Å; E139-V143 PolarHBondContact O-N 3.22Å; V143-G145 VanDerWaalsContact C-N 3.3Å; V143-G145 PolarHBondContact O-N 3.37Å; V143-L146 PolarHBondContact O-N 2.91Å; V143-L147 HydrophobicContact CG1-CD1 3.89Å; V143-L147 HydrophobicContact CG1-CG 4.41Å; V143-L147 WeakPolarHBondContact O-CG 3.44Å; V143-L147 PolarHBondContact O-N 3.16Å |
| 144 | Q | 93.8 | Very high | 95.4 | Very high | 97 Ų | 97 | 102.4 Ų | 102.4 | 45% | 0.453 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.1 | -35.3 | 175.1 | -168.8 | -176.9 | 65.7 | 0 | 0 | 112.2 | H140 L141 K142 R148 | H140-Q144 WeakPolarHBondContact O-CB 3.44Å; H140-Q144 PolarHBondContact O-N 2.95Å; L141-Q144 PolarHBondContact O-N 3.47Å; K142-Q144 PolarHBondContact O-N 3.38Å; Q144-R148 WeakPolarHBondContact O-CG 3.25Å; Q144-R148 PolarHBondContact O-N 3.19Å; Q144-R148 VanDerWaalsContact O-N 3.15Å |
| 145 | G | 95.9 | Very high | 95.4 | Very high | 40 Ų | 40 | 101.7 Ų | 101.7 | 41% | 0.412 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.5 | -50.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L141 K142 V143 R148 Q149 | L141-G145 PolarHBondContact O-N 2.88Å; K142-G145 PolarHBondContact O-N 3.38Å; V143-G145 VanDerWaalsContact C-N 3.3Å; V143-G145 PolarHBondContact O-N 3.37Å; G145-R148 PolarHBondContact O-N 2.97Å; G145-Q149 PolarHBondContact O-N 3.49Å; G145-Q149 VanDerWaalsContact O-N 3.09Å |
| 146 | L | 96.2 | Very high | 95.4 | Very high | 105 Ų | 105 | 102.2 Ų | 102.2 | 55% | 0.55 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.2 | -47.8 | 177.2 | -67.6 | 171.4 | 0 | 0 | 0 | 111.8 | K142 V143 R148 Q149 D150 | K142-L146 PolarHBondContact O-N 2.77Å; V143-L146 PolarHBondContact O-N 2.91Å; L146-R148 VanDerWaalsContact C-N 3.29Å; L146-R148 PolarHBondContact O-N 3.43Å; L146-Q149 WeakPolarHBondContact O-CA 3.23Å; L146-Q149 WeakPolarHBondContact O-CB 3.41Å; L146-Q149 PolarHBondContact O-N 2.93Å; L146-D150 PolarHBondContact O-N 2.88Å |
| 147 | L | 94.6 | Very high | 95.5 | Very high | 111 Ų | 111 | 104.6 Ų | 104.6 | 58% | 0.581 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.7 | -35.3 | 179.3 | -71.5 | 169 | 0 | 0 | 0 | 113 | V143 E151 | V143-L147 HydrophobicContact CG1-CD1 3.89Å; V143-L147 HydrophobicContact CG1-CG 4.41Å; V143-L147 WeakPolarHBondContact O-CG 3.44Å; V143-L147 PolarHBondContact O-N 3.16Å; L147-E151 WeakPolarHBondContact O-CB 3.47Å; L147-E151 PolarHBondContact O-N 3.11Å |
| 148 | R | 95.8 | Very high | 95.5 | Very high | 146 Ų | 146 | 103.9 Ų | 103.9 | 55% | 0.551 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.4 | -36.3 | 173.1 | -73.2 | 177.6 | -171.9 | -130.7 | 8.9 | 112.4 | Q144 G145 L146 E151 Q152 | Q144-R148 WeakPolarHBondContact O-CG 3.25Å; Q144-R148 PolarHBondContact O-N 3.19Å; Q144-R148 VanDerWaalsContact O-N 3.15Å; G145-R148 PolarHBondContact O-N 2.97Å; L146-R148 VanDerWaalsContact C-N 3.29Å; L146-R148 PolarHBondContact O-N 3.43Å; R148-E151 PolarHBondContact O-N 3.31Å; R148-Q152 WeakPolarHBondContact O-CG 3.38Å; R148-Q152 PolarHBondContact O-N 3.43Å; R148-Q152 VanDerWaalsContact O-N 3.08Å |
| 149 | Q | 96.2 | Very high | 95.5 | Very high | 110 Ų | 110 | 105.4 Ų | 105.4 | 51% | 0.514 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.1 | -42.6 | 176.1 | -170.5 | 175.3 | 0.2 | 0 | 0 | 110.6 | G145 L146 Q152 N153 | G145-Q149 PolarHBondContact O-N 3.49Å; G145-Q149 VanDerWaalsContact O-N 3.09Å; L146-Q149 WeakPolarHBondContact O-CA 3.23Å; L146-Q149 WeakPolarHBondContact O-CB 3.41Å; L146-Q149 PolarHBondContact O-N 2.93Å; Q149-Q152 PolarHBondContact O-N 3.1Å; Q149-N153 WeakPolarHBondContact O-CB 3.39Å; Q149-N153 PolarHBondContact O-N 2.91Å; Q149-N153 PolarHBondContact O-ND2 2.94Å |
| 150 | D | 94.8 | Very high | 95.5 | Very high | 88 Ų | 88 | 105.9 Ų | 105.9 | 47% | 0.471 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.8 | -38.4 | 174.5 | -73.8 | -28 | 0 | 0 | 0 | 112.6 | L146 Q152 N153 L154 | L146-D150 PolarHBondContact O-N 2.88Å; D150-Q152 VanDerWaalsContact C-N 3.32Å; D150-Q152 PolarHBondContact O-N 3.35Å; D150-N153 PolarHBondContact O-N 3.13Å; D150-L154 WeakPolarHBondContact O-CB 3.2Å; D150-L154 VanDerWaalsContact O-CG 3.25Å; D150-L154 WeakPolarHBondContact O-CG 3.36Å; D150-L154 PolarHBondContact O-N 3.34Å |
| 151 | E | 95.7 | Very high | 95.5 | Very high | 97 Ų | 97 | 104.2 Ų | 104.2 | 45% | 0.453 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.3 | -42.9 | 172 | -167.5 | -157.3 | 143.2 | 0 | 0 | 111.8 | L147 R148 K155 | L147-E151 WeakPolarHBondContact O-CB 3.47Å; L147-E151 PolarHBondContact O-N 3.11Å; R148-E151 PolarHBondContact O-N 3.31Å; E151-K155 HydrophobicContact CG-CD 4.49Å; E151-K155 WeakPolarHBondContact O-CB 3.33Å; E151-K155 WeakPolarHBondContact O-CG 3.33Å; E151-K155 PolarHBondContact O-N 3.44Å; E151-K155 WeakPolarHBondContact OE1-CE 3.31Å; E151-K155 IonicContact OE1-NZ 3.19Å; E151-K155 PolarHBondContact OE1-NZ 3.16Å |
| 152 | Q | 95.4 | Very high | 95.4 | Very high | 127 Ų | 127 | 102.4 Ų | 102.4 | 59% | 0.593 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.4 | -45.4 | 175.5 | -72.7 | 179.6 | -6.6 | 0 | 0 | 112 | R148 Q149 D150 L154 K155 I156 | R148-Q152 WeakPolarHBondContact O-CG 3.38Å; R148-Q152 PolarHBondContact O-N 3.43Å; R148-Q152 VanDerWaalsContact O-N 3.08Å; Q149-Q152 PolarHBondContact O-N 3.1Å; D150-Q152 VanDerWaalsContact C-N 3.32Å; D150-Q152 PolarHBondContact O-N 3.35Å; Q152-L154 VanDerWaalsContact C-N 3.31Å; Q152-L154 PolarHBondContact O-N 3.22Å; Q152-K155 PolarHBondContact O-N 2.86Å; Q152-I156 WeakPolarHBondContact O-CG1 3.33Å; Q152-I156 PolarHBondContact O-N 3.48Å |
| 153 | N | 95.8 | Very high | 95.4 | Very high | 65 Ų | 65 | 99.7 Ų | 99.7 | 35% | 0.348 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59 | -41.4 | 176.6 | -69.8 | -28.5 | 0 | 0 | 0 | 111.9 | Q149 D150 I156 K157 | Q149-N153 WeakPolarHBondContact O-CB 3.39Å; Q149-N153 PolarHBondContact O-N 2.91Å; Q149-N153 PolarHBondContact O-ND2 2.94Å; D150-N153 PolarHBondContact O-N 3.13Å; N153-I156 PolarHBondContact O-N 2.64Å; N153-K157 WeakPolarHBondContact O-CG 3.01Å; N153-K157 PolarHBondContact O-N 3.17Å; N153-K157 VanDerWaalsContact O-N 3.07Å |
| 154 | L | 95.5 | Very high | 95.4 | Very high | 116 Ų | 116 | 99 Ų | 99 | 61% | 0.607 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.4 | -39.3 | 176.6 | -73.4 | 168.1 | 0 | 0 | 0 | 112 | D150 Q152 K157 L158 | D150-L154 WeakPolarHBondContact O-CB 3.2Å; D150-L154 VanDerWaalsContact O-CG 3.25Å; D150-L154 WeakPolarHBondContact O-CG 3.36Å; D150-L154 PolarHBondContact O-N 3.34Å; Q152-L154 VanDerWaalsContact C-N 3.31Å; Q152-L154 PolarHBondContact O-N 3.22Å; L154-K157 PolarHBondContact O-N 3Å; L154-L158 VanDerWaalsContact O-CB 3.3Å; L154-L158 WeakPolarHBondContact O-CB 3.4Å; L154-L158 PolarHBondContact O-N 3.43Å |
| 155 | K | 95.7 | Very high | 95.4 | Very high | 126 Ų | 126 | 97.4 Ų | 97.4 | 55% | 0.548 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 174.2 | -79.3 | 170.4 | 170.2 | 174.9 | 0 | 112.7 | E151 Q152 R159 | E151-K155 HydrophobicContact CG-CD 4.49Å; E151-K155 WeakPolarHBondContact O-CB 3.33Å; E151-K155 WeakPolarHBondContact O-CG 3.33Å; E151-K155 PolarHBondContact O-N 3.44Å; E151-K155 WeakPolarHBondContact OE1-CE 3.31Å; E151-K155 IonicContact OE1-NZ 3.19Å; E151-K155 PolarHBondContact OE1-NZ 3.16Å; Q152-K155 PolarHBondContact O-N 2.86Å; K155-R159 PolarHBondContact O-N 3.36Å; K155-R159 VanDerWaalsContact O-N 3.1Å |
| 156 | I | 96.5 | Very high | 95.3 | Very high | 94 Ų | 94 | 98.3 Ų | 98.3 | 48% | 0.482 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.7 | -54.2 | 174.7 | -68.2 | 164.8 | 0 | 0 | 0 | 109.9 | Q152 N153 L158 R159 E160 | Q152-I156 WeakPolarHBondContact O-CG1 3.33Å; Q152-I156 PolarHBondContact O-N 3.48Å; N153-I156 PolarHBondContact O-N 2.64Å; I156-L158 VanDerWaalsContact C-N 3.27Å; I156-L158 PolarHBondContact O-N 3.17Å; I156-R159 PolarHBondContact O-N 2.8Å; I156-E160 HydrophobicContact CG2-CG 4.28Å; I156-E160 WeakPolarHBondContact O-CG 3.39Å; I156-E160 PolarHBondContact O-N 3.14Å |
| 157 | K | 96 | Very high | 95.3 | Very high | 131 Ų | 131 | 97.1 Ų | 97.1 | 57% | 0.57 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -58 | -37 | 178.2 | -71.1 | 175.1 | -179.6 | -179.6 | 0 | 113.3 | N153 L154 E160 T161 | N153-K157 WeakPolarHBondContact O-CG 3.01Å; N153-K157 PolarHBondContact O-N 3.17Å; N153-K157 VanDerWaalsContact O-N 3.07Å; L154-K157 PolarHBondContact O-N 3Å; K157-E160 WeakPolarHBondContact CA-OE2 3.41Å; K157-T161 WeakPolarHBondContact O-CB 3.41Å; K157-T161 WeakPolarHBondContact O-CG2 3.34Å; K157-T161 PolarHBondContact O-N 3.35Å; K157-T161 PolarHBondContact O-OG1 3.4Å |
| 158 | L | 95.5 | Very high | 95.3 | Very high | 99 Ų | 99 | 96.9 Ų | 96.9 | 52% | 0.518 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 174.1 | -177.7 | 62.5 | 0 | 0 | 0 | 111.6 | L154 I156 T161 Q162 | L154-L158 VanDerWaalsContact O-CB 3.3Å; L154-L158 WeakPolarHBondContact O-CB 3.4Å; L154-L158 PolarHBondContact O-N 3.43Å; I156-L158 VanDerWaalsContact C-N 3.27Å; I156-L158 PolarHBondContact O-N 3.17Å; L158-T161 WeakPolarHBondContact CA-OG1 3.47Å; L158-T161 PolarHBondContact O-OG1 3.03Å; L158-T161 VanDerWaalsContact O-OG1 3.05Å; L158-Q162 WeakPolarHBondContact O-CB 3.39Å; L158-Q162 WeakPolarHBondContact O-CG 3.4Å; L158-Q162 PolarHBondContact O-N 3.13Å |
| 159 | R | 95.7 | Very high | 95.3 | Very high | 110 Ų | 110 | 93.8 Ų | 93.8 | 42% | 0.415 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -74.8 | -35.3 | 177.4 | -167.3 | 64.2 | -167.2 | 138 | 9.7 | 112.6 | K155 I156 Q162 L163 E166 | K155-R159 PolarHBondContact O-N 3.36Å; K155-R159 VanDerWaalsContact O-N 3.1Å; I156-R159 PolarHBondContact O-N 2.8Å; R159-Q162 PolarHBondContact O-N 3.14Å; R159-L163 HydrophobicContact CG-CD1 4.21Å; R159-L163 WeakPolarHBondContact O-CB 3.09Å; R159-L163 VanDerWaalsContact O-CG 3.32Å; R159-L163 WeakPolarHBondContact O-CG 3.14Å; R159-L163 PolarHBondContact O-N 3.43Å; R159-E166 IonicContact CZ-OE1 2.83Å; R159-E166 IonicContact NH1-OE1 2.74Å; R159-E166 PolarHBondContact NH1-OE1 2.98Å; R159-E166 IonicContact NH2-OE1 3.27Å; R159-E166 PolarHBondContact NH2-OE1 3Å |
| 160 | E | 95.6 | Very high | 95.2 | Very high | 115 Ų | 115 | 93.5 Ų | 93.5 | 54% | 0.537 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 173.2 | -69.9 | 170.7 | 155.4 | 0 | 0 | 111.5 | I156 K157 L163 S164 | I156-E160 HydrophobicContact CG2-CG 4.28Å; I156-E160 WeakPolarHBondContact O-CG 3.39Å; I156-E160 PolarHBondContact O-N 3.14Å; K157-E160 WeakPolarHBondContact CA-OE2 3.41Å; E160-L163 PolarHBondContact O-N 2.86Å; E160-S164 WeakPolarHBondContact O-CB 3.38Å; E160-S164 PolarHBondContact O-N 3.46Å |
| 161 | T | 94.5 | Very high | 95.3 | Very high | 88 Ų | 88 | 92.6 Ų | 92.6 | 54% | 0.54 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.8 | -38 | 177.2 | 48.3 | 0 | 0 | 0 | 0 | 112.5 | K157 L158 S165 | K157-T161 WeakPolarHBondContact O-CB 3.41Å; K157-T161 WeakPolarHBondContact O-CG2 3.34Å; K157-T161 PolarHBondContact O-N 3.35Å; K157-T161 PolarHBondContact O-OG1 3.4Å; L158-T161 WeakPolarHBondContact CA-OG1 3.47Å; L158-T161 PolarHBondContact O-OG1 3.03Å; L158-T161 VanDerWaalsContact O-OG1 3.05Å; T161-S165 PolarHBondContact O-N 3.39Å |
| 162 | Q | 94.1 | Very high | 95.3 | Very high | 78 Ų | 78 | 92.5 Ų | 92.5 | 36% | 0.364 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60 | -51.9 | 171 | -77.5 | 173.6 | -1.7 | 0 | 0 | 112.1 | L158 R159 S164 S165 E166 | L158-Q162 WeakPolarHBondContact O-CB 3.39Å; L158-Q162 WeakPolarHBondContact O-CG 3.4Å; L158-Q162 PolarHBondContact O-N 3.13Å; R159-Q162 PolarHBondContact O-N 3.14Å; Q162-S164 VanDerWaalsContact C-N 3.34Å; Q162-S164 PolarHBondContact O-N 2.94Å; Q162-S165 CarbonylContact O-C 3.52Å; Q162-S165 WeakPolarHBondContact O-CA 3.42Å; Q162-S165 PolarHBondContact O-N 3.31Å; Q162-S165 PolarHBondContact O-OG 3.18Å; Q162-E166 WeakPolarHBondContact O-CG 3.36Å; Q162-E166 PolarHBondContact O-N 2.84Å |
| 163 | L | 95.5 | Very high | 95.2 | Very high | 71 Ų | 71 | 91.7 Ų | 91.7 | 37% | 0.372 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.3 | -42.5 | 179.7 | -73.7 | 168.7 | 0 | 0 | 0 | 111.8 | R159 E160 S165 E166 D167 | R159-L163 HydrophobicContact CG-CD1 4.21Å; R159-L163 WeakPolarHBondContact O-CB 3.09Å; R159-L163 VanDerWaalsContact O-CG 3.32Å; R159-L163 WeakPolarHBondContact O-CG 3.14Å; R159-L163 PolarHBondContact O-N 3.43Å; E160-L163 PolarHBondContact O-N 2.86Å; L163-S165 VanDerWaalsContact C-N 3.29Å; L163-S165 PolarHBondContact O-N 2.89Å; L163-E166 PolarHBondContact O-N 3.1Å; L163-D167 PolarHBondContact O-N 2.98Å |
| 164 | S | 95.3 | Very high | 95.3 | Very high | 66 Ų | 66 | 95.3 Ų | 95.3 | 46% | 0.462 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.9 | -36.7 | 173.5 | 178.4 | 0 | 0 | 0 | 0 | 112.5 | E160 Q162 N168 | E160-S164 WeakPolarHBondContact O-CB 3.38Å; E160-S164 PolarHBondContact O-N 3.46Å; Q162-S164 VanDerWaalsContact C-N 3.34Å; Q162-S164 PolarHBondContact O-N 2.94Å; S164-N168 WeakPolarHBondContact O-CB 3.49Å; S164-N168 PolarHBondContact O-N 3.43Å; S164-N168 PolarHBondContact O-ND2 3.38Å; S164-N168 PolarHBondContact O-OD1 3.03Å |
| 165 | S | 92.5 | Very high | 95.2 | Very high | 62 Ų | 62 | 95 Ų | 95 | 43% | 0.434 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -71.4 | -38.2 | 174.3 | 73.8 | 0 | 0 | 0 | 0 | 113 | T161 Q162 L163 D167 N168 V169 | T161-S165 PolarHBondContact O-N 3.39Å; Q162-S165 CarbonylContact O-C 3.52Å; Q162-S165 WeakPolarHBondContact O-CA 3.42Å; Q162-S165 PolarHBondContact O-N 3.31Å; Q162-S165 PolarHBondContact O-OG 3.18Å; L163-S165 VanDerWaalsContact C-N 3.29Å; L163-S165 PolarHBondContact O-N 2.89Å; S165-D167 PolarHBondContact O-N 3.37Å; S165-N168 PolarHBondContact O-N 2.95Å; S165-V169 WeakPolarHBondContact O-CG2 3.3Å; S165-V169 PolarHBondContact O-N 2.96Å |
| 166 | E | 94.8 | Very high | 95.2 | Very high | 60 Ų | 60 | 93.7 Ų | 93.7 | 28% | 0.28 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60 | -44.8 | 173.7 | -70.1 | 177.9 | -143 | 0 | 0 | 110.7 | R159 Q162 L163 V169 R170 | R159-E166 IonicContact CZ-OE1 2.83Å; R159-E166 IonicContact NH1-OE1 2.74Å; R159-E166 PolarHBondContact NH1-OE1 2.98Å; R159-E166 IonicContact NH2-OE1 3.27Å; R159-E166 PolarHBondContact NH2-OE1 3Å; Q162-E166 WeakPolarHBondContact O-CG 3.36Å; Q162-E166 PolarHBondContact O-N 2.84Å; L163-E166 PolarHBondContact O-N 3.1Å; E166-V169 PolarHBondContact O-N 3.05Å; E166-R170 VanDerWaalsContact O-CG 3.28Å; E166-R170 WeakPolarHBondContact O-CG 3.21Å; E166-R170 PolarHBondContact O-N 3.4Å; E166-R170 IonicContact OE2-CZ 2.7Å; E166-R170 IonicContact OE2-NH1 2.64Å; E166-R170 IonicContact OE2-NH2 3.71Å; E166-R170 PolarHBondContact OE2-NH2 3.46Å |
| 167 | D | 95.3 | Very high | 95 | Very high | 80 Ų | 80 | 95.8 Ų | 95.8 | 43% | 0.428 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -74.2 | -31.8 | -179.9 | -74 | -29.8 | 0 | 0 | 0 | 113.4 | L163 S165 R170 T171 | L163-D167 PolarHBondContact O-N 2.98Å; S165-D167 PolarHBondContact O-N 3.37Å; D167-R170 PolarHBondContact O-N 3.15Å; D167-R170 IonicContact OD1-CZ 2.64Å; D167-R170 IonicContact OD1-NH1 2.77Å; D167-R170 PolarHBondContact OD1-NH1 3.41Å; D167-T171 WeakPolarHBondContact O-CB 3.46Å; D167-T171 PolarHBondContact O-N 3.39Å; D167-T171 PolarHBondContact O-OG1 3.34Å |
| 168 | N | 95.1 | Very high | 95 | Very high | 105 Ų | 105 | 95.2 Ų | 95.2 | 56% | 0.561 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.7 | -44.8 | 169.8 | -73.1 | -16.8 | 0 | 0 | 0 | 111.2 | S164 S165 T171 L172 | S164-N168 WeakPolarHBondContact O-CB 3.49Å; S164-N168 PolarHBondContact O-N 3.43Å; S164-N168 PolarHBondContact O-ND2 3.38Å; S164-N168 PolarHBondContact O-OD1 3.03Å; S165-N168 PolarHBondContact O-N 2.95Å; N168-T171 PolarHBondContact O-N 2.95Å; N168-L172 PolarHBondContact O-N 3.34Å |
| 169 | V | 95.3 | Very high | 95 | Very high | 82 Ų | 82 | 95.7 Ų | 95.7 | 50% | 0.497 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.1 | -48.6 | 175.9 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | S165 E166 T171 L172 E173 | S165-V169 WeakPolarHBondContact O-CG2 3.3Å; S165-V169 PolarHBondContact O-N 2.96Å; E166-V169 PolarHBondContact O-N 3.05Å; V169-T171 PolarHBondContact O-N 3.15Å; V169-T171 VanDerWaalsContact O-N 3.14Å; V169-L172 PolarHBondContact O-N 3.1Å; V169-L172 VanDerWaalsContact O-N 3.15Å; V169-E173 HydrophobicContact CG1-CG 4.22Å; V169-E173 WeakPolarHBondContact O-CB 3.4Å; V169-E173 WeakPolarHBondContact O-CG 3.38Å; V169-E173 PolarHBondContact O-N 2.96Å |
| 170 | R | 95.6 | Very high | 94.9 | Very high | 104 Ų | 104 | 94.7 Ų | 94.7 | 39% | 0.392 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.7 | -25.8 | 175.7 | -72.3 | 170.1 | -172.9 | 138 | 12.9 | 113.9 | E166 D167 K174 | E166-R170 VanDerWaalsContact O-CG 3.28Å; E166-R170 WeakPolarHBondContact O-CG 3.21Å; E166-R170 PolarHBondContact O-N 3.4Å; E166-R170 IonicContact OE2-CZ 2.7Å; E166-R170 IonicContact OE2-NH1 2.64Å; E166-R170 IonicContact OE2-NH2 3.71Å; E166-R170 PolarHBondContact OE2-NH2 3.46Å; D167-R170 PolarHBondContact O-N 3.15Å; D167-R170 IonicContact OD1-CZ 2.64Å; D167-R170 IonicContact OD1-NH1 2.77Å; D167-R170 PolarHBondContact OD1-NH1 3.41Å; R170-K174 WeakPolarHBondContact O-CD 3.33Å; R170-K174 VanDerWaalsContact O-CG 3.29Å; R170-K174 WeakPolarHBondContact O-CG 3.35Å; R170-K174 PolarHBondContact O-N 2.95Å |
| 171 | T | 95.8 | Very high | 94.9 | Very high | 69 Ų | 69 | 94.1 Ų | 94.1 | 42% | 0.423 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -78.1 | -48.9 | 176.7 | -56.8 | 0 | 0 | 0 | 0 | 109.8 | D167 N168 V169 E173 K174 E175 | D167-T171 WeakPolarHBondContact O-CB 3.46Å; D167-T171 PolarHBondContact O-N 3.39Å; D167-T171 PolarHBondContact O-OG1 3.34Å; N168-T171 PolarHBondContact O-N 2.95Å; V169-T171 PolarHBondContact O-N 3.15Å; V169-T171 VanDerWaalsContact O-N 3.14Å; T171-E173 VanDerWaalsContact C-N 3.3Å; T171-E173 PolarHBondContact O-N 3.49Å; T171-K174 PolarHBondContact O-N 3.05Å; T171-K174 VanDerWaalsContact O-N 3.13Å; T171-E175 WeakPolarHBondContact O-CG 3.49Å; T171-E175 PolarHBondContact O-N 2.86Å |
| 172 | L | 95.4 | Very high | 94.9 | Very high | 94 Ų | 94 | 93.6 Ų | 93.6 | 49% | 0.492 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.6 | -37.5 | 176.4 | -155.1 | 84.6 | 0 | 0 | 0 | 112.6 | N168 V169 E175 H176 | N168-L172 PolarHBondContact O-N 3.34Å; V169-L172 PolarHBondContact O-N 3.1Å; V169-L172 VanDerWaalsContact O-N 3.15Å; L172-E175 PolarHBondContact O-N 3.43Å; L172-H176 PolarHBondContact O-N 2.99Å; L172-H176 PolarHBondContact O-ND1 3.41Å |
| 173 | E | 94.7 | Very high | 95 | Very high | 111 Ų | 111 | 93.7 Ų | 93.7 | 52% | 0.519 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 174.1 | -74.9 | 174.4 | 151.4 | 0 | 0 | 111.8 | V169 T171 H176 E177 | V169-E173 HydrophobicContact CG1-CG 4.22Å; V169-E173 WeakPolarHBondContact O-CB 3.4Å; V169-E173 WeakPolarHBondContact O-CG 3.38Å; V169-E173 PolarHBondContact O-N 2.96Å; T171-E173 VanDerWaalsContact C-N 3.3Å; T171-E173 PolarHBondContact O-N 3.49Å; E173-H176 PolarHBondContact O-N 3.22Å; E173-E177 WeakPolarHBondContact O-CG 3.48Å; E173-E177 PolarHBondContact O-N 3.3Å |
| 174 | K | 96 | Very high | 95 | Very high | 140 Ų | 140 | 98 Ų | 98 | 61% | 0.609 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -68.6 | -36.8 | 177.4 | -71.1 | 168.1 | -172.4 | 169.6 | 0 | 112.7 | R170 T171 E177 H178 | R170-K174 WeakPolarHBondContact O-CD 3.33Å; R170-K174 VanDerWaalsContact O-CG 3.29Å; R170-K174 WeakPolarHBondContact O-CG 3.35Å; R170-K174 PolarHBondContact O-N 2.95Å; T171-K174 PolarHBondContact O-N 3.05Å; T171-K174 VanDerWaalsContact O-N 3.13Å; K174-E177 PolarHBondContact O-N 2.9Å; K174-H178 WeakPolarHBondContact O-CB 3.46Å; K174-H178 PolarHBondContact O-N 3.09Å |
| 175 | E | 95.4 | Very high | 95 | Very high | 111 Ų | 111 | 99.6 Ų | 99.6 | 52% | 0.519 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.6 | -48.8 | 175.1 | -71.4 | 174.9 | 157.2 | 0 | 0 | 110.1 | T171 L172 E177 H178 E179 | T171-E175 WeakPolarHBondContact O-CG 3.49Å; T171-E175 PolarHBondContact O-N 2.86Å; L172-E175 PolarHBondContact O-N 3.43Å; E175-E177 PolarHBondContact O-N 3.4Å; E175-H178 PolarHBondContact O-N 3.16Å; E175-E179 WeakPolarHBondContact O-CG 3.47Å; E175-E179 PolarHBondContact O-N 3.43Å |
| 176 | H | 93.7 | Very high | 95.1 | Very high | 98 Ų | 98 | 99.3 Ų | 99.3 | 45% | 0.454 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61 | -40.7 | 172.8 | -70.8 | 147.2 | 0 | 0 | 0 | 113.2 | L172 E173 H178 E179 M180 | L172-H176 PolarHBondContact O-N 2.99Å; L172-H176 PolarHBondContact O-ND1 3.41Å; E173-H176 PolarHBondContact O-N 3.22Å; H176-H178 VanDerWaalsContact C-N 3.31Å; H176-H178 PolarHBondContact O-N 3.03Å; H176-E179 PolarHBondContact O-N 3.33Å; H176-M180 VanDerWaalsContact O-CB 3.29Å; H176-M180 WeakPolarHBondContact O-CB 3.22Å; H176-M180 WeakPolarHBondContact O-CG 3.41Å; H176-M180 PolarHBondContact O-N 2.96Å |
| 177 | E | 94.1 | Very high | 95.1 | Very high | 138 Ų | 138 | 102.6 Ų | 102.6 | 65% | 0.645 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.3 | -39.6 | 175.1 | -80 | -166.5 | 149.1 | 0 | 0 | 112.1 | E173 K174 E175 H181 | E173-E177 WeakPolarHBondContact O-CG 3.48Å; E173-E177 PolarHBondContact O-N 3.3Å; K174-E177 PolarHBondContact O-N 2.9Å; E175-E177 PolarHBondContact O-N 3.4Å; E177-H181 WeakPolarHBondContact O-CB 3.37Å; E177-H181 PolarHBondContact O-N 2.84Å |
| 178 | H | 95.2 | Very high | 95.1 | Very high | 118 Ų | 118 | 105.7 Ų | 105.7 | 55% | 0.546 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.3 | -47.6 | 176.8 | -177.2 | 48.3 | 0 | 0 | 0 | 112.1 | K174 E175 H176 M180 H181 E182 | K174-H178 WeakPolarHBondContact O-CB 3.46Å; K174-H178 PolarHBondContact O-N 3.09Å; E175-H178 PolarHBondContact O-N 3.16Å; H176-H178 VanDerWaalsContact C-N 3.31Å; H176-H178 PolarHBondContact O-N 3.03Å; H178-M180 VanDerWaalsContact C-N 3.35Å; H178-M180 PolarHBondContact O-N 3.29Å; H178-H181 WeakPolarHBondContact O-CB 3.4Å; H178-H181 PolarHBondContact O-N 3Å; H178-E182 PolarHBondContact O-N 3.42Å |
| 179 | E | 95.7 | Very high | 95.1 | Very high | 109 Ų | 109 | 106.3 Ų | 106.3 | 51% | 0.509 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.6 | -45.9 | 174.3 | -71.4 | -174.2 | 163 | 0 | 0 | 111.6 | E175 H176 H181 E182 I183 | E175-E179 WeakPolarHBondContact O-CG 3.47Å; E175-E179 PolarHBondContact O-N 3.43Å; H176-E179 PolarHBondContact O-N 3.33Å; E179-H181 PolarHBondContact O-N 3.06Å; E179-E182 PolarHBondContact O-N 3.02Å; E179-I183 WeakPolarHBondContact O-CB 3.44Å; E179-I183 VanDerWaalsContact O-CG1 3.29Å; E179-I183 WeakPolarHBondContact O-CG1 3.41Å; E179-I183 PolarHBondContact O-N 3.04Å |
| 180 | M | 93.8 | Very high | 95.1 | Very high | 89 Ų | 89 | 106.8 Ų | 106.8 | 44% | 0.438 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.5 | -25.5 | 175.9 | -69.4 | -59.4 | 114.7 | 0 | 0 | 112.5 | H176 H178 I183 R184 | H176-M180 VanDerWaalsContact O-CB 3.29Å; H176-M180 WeakPolarHBondContact O-CB 3.22Å; H176-M180 WeakPolarHBondContact O-CG 3.41Å; H176-M180 PolarHBondContact O-N 2.96Å; H178-M180 VanDerWaalsContact C-N 3.35Å; H178-M180 PolarHBondContact O-N 3.29Å; M180-I183 HydrophobicContact CE-CD1 3.8Å; M180-R184 WeakPolarHBondContact O-CB 3.37Å; M180-R184 WeakPolarHBondContact O-CG 3.2Å; M180-R184 PolarHBondContact O-N 2.8Å; M180-R184 PolarHBondContact O-NE 3.43Å |
| 181 | H | 94.6 | Very high | 95 | Very high | 104 Ų | 104 | 108.3 Ų | 108.3 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -73.3 | -50.5 | 172.1 | -177.9 | 17.1 | 0 | 0 | 0 | 111.6 | E177 H178 E179 I183 R184 K185 | E177-H181 WeakPolarHBondContact O-CB 3.37Å; E177-H181 PolarHBondContact O-N 2.84Å; H178-H181 WeakPolarHBondContact O-CB 3.4Å; H178-H181 PolarHBondContact O-N 3Å; E179-H181 PolarHBondContact O-N 3.06Å; H181-I183 VanDerWaalsContact C-N 3.34Å; H181-I183 PolarHBondContact O-N 2.77Å; H181-R184 PolarHBondContact O-N 3.34Å; H181-R184 VanDerWaalsContact O-N 3.16Å; H181-K185 WeakPolarHBondContact O-CB 3.4Å; H181-K185 PolarHBondContact O-N 2.89Å |
| 182 | E | 95.7 | Very high | 94.9 | Very high | 76 Ų | 76 | 109 Ų | 109 | 36% | 0.355 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 179.7 | -71.5 | -61.5 | 130.4 | 0 | 0 | 111.6 | H178 E179 R184 K185 D186 | H178-E182 PolarHBondContact O-N 3.42Å; E179-E182 PolarHBondContact O-N 3.02Å; E182-R184 PolarHBondContact O-N 2.93Å; E182-K185 PolarHBondContact O-N 3.26Å; E182-K185 WeakPolarHBondContact OE1-CD 3.31Å; E182-K185 IonicContact OE1-NZ 3.45Å; E182-K185 PolarHBondContact OE1-NZ 2.92Å; E182-K185 IonicContact OE2-NZ 2.58Å; E182-K185 PolarHBondContact OE2-NZ 3.17Å; E182-D186 VanDerWaalsContact O-CB 3.31Å; E182-D186 WeakPolarHBondContact O-CB 3.33Å; E182-D186 PolarHBondContact O-N 2.86Å |
| 183 | I | 94.9 | Very high | 94.9 | Very high | 80 Ų | 80 | 108.9 Ų | 108.9 | 41% | 0.41 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 172.7 | -71.8 | 168.8 | 0 | 0 | 0 | 111.3 | E179 M180 H181 D186 F187 | E179-I183 WeakPolarHBondContact O-CB 3.44Å; E179-I183 VanDerWaalsContact O-CG1 3.29Å; E179-I183 WeakPolarHBondContact O-CG1 3.41Å; E179-I183 PolarHBondContact O-N 3.04Å; M180-I183 HydrophobicContact CE-CD1 3.8Å; H181-I183 VanDerWaalsContact C-N 3.34Å; H181-I183 PolarHBondContact O-N 2.77Å; I183-D186 PolarHBondContact O-N 3.37Å; I183-F187 HydrophobicContact CG2-CD2 3.74Å; I183-F187 HydrophobicContact CG2-CE2 3.69Å; I183-F187 VanDerWaalsContact O-CD2 3.24Å; I183-F187 WeakPolarHBondContact O-CD2 3.49Å; I183-F187 PolarHBondContact O-N 3.05Å |
| 184 | R | 95.4 | Very high | 94.9 | Very high | 161 Ų | 161 | 108.1 Ų | 108.1 | 61% | 0.608 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.1 | -45.4 | 177.9 | -83 | 177.9 | -79.2 | -158.3 | 0 | 112.2 | M180 H181 E182 D186 F187 E188 | M180-R184 WeakPolarHBondContact O-CB 3.37Å; M180-R184 WeakPolarHBondContact O-CG 3.2Å; M180-R184 PolarHBondContact O-N 2.8Å; M180-R184 PolarHBondContact O-NE 3.43Å; H181-R184 PolarHBondContact O-N 3.34Å; H181-R184 VanDerWaalsContact O-N 3.16Å; E182-R184 PolarHBondContact O-N 2.93Å; R184-D186 VanDerWaalsContact C-N 3.33Å; R184-D186 PolarHBondContact O-N 2.87Å; R184-F187 PolarHBondContact O-N 2.89Å; R184-E188 WeakPolarHBondContact O-CB 3.19Å; R184-E188 PolarHBondContact O-N 3.3Å |
| 185 | K | 95.8 | Very high | 94.7 | Very high | 101 Ų | 101 | 106.3 Ų | 106.3 | 44% | 0.439 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61 | -38.9 | 176 | 173.6 | -173.8 | 169.9 | -155.2 | 0 | 112.1 | H181 E182 E188 R189 | H181-K185 WeakPolarHBondContact O-CB 3.4Å; H181-K185 PolarHBondContact O-N 2.89Å; E182-K185 PolarHBondContact O-N 3.26Å; E182-K185 WeakPolarHBondContact OE1-CD 3.31Å; E182-K185 IonicContact OE1-NZ 3.45Å; E182-K185 PolarHBondContact OE1-NZ 2.92Å; E182-K185 IonicContact OE2-NZ 2.58Å; E182-K185 PolarHBondContact OE2-NZ 3.17Å; K185-E188 PolarHBondContact O-N 3.17Å; K185-R189 WeakPolarHBondContact O-CB 3.4Å; K185-R189 PolarHBondContact O-N 3.31Å |
| 186 | D | 95.3 | Very high | 94.7 | Very high | 55 Ų | 55 | 106.1 Ų | 106.1 | 29% | 0.294 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -75.8 | -31.1 | 178.3 | -159.4 | 53.8 | 0 | 0 | 0 | 112.6 | E182 I183 R184 R189 K190 | E182-D186 VanDerWaalsContact O-CB 3.31Å; E182-D186 WeakPolarHBondContact O-CB 3.33Å; E182-D186 PolarHBondContact O-N 2.86Å; I183-D186 PolarHBondContact O-N 3.37Å; R184-D186 VanDerWaalsContact C-N 3.33Å; R184-D186 PolarHBondContact O-N 2.87Å; D186-R189 IonicContact OD1-CZ 2.73Å; D186-R189 VanDerWaalsContact OD1-CZ 3.23Å; D186-R189 IonicContact OD1-NE 2.65Å; D186-R189 PolarHBondContact OD1-NE 2.9Å; D186-R189 IonicContact OD1-NH2 2.6Å; D186-R189 PolarHBondContact OD1-NH2 3.48Å; D186-R189 IonicContact OD2-NH2 2.73Å; D186-K190 VanDerWaalsContact O-CD 3.3Å; D186-K190 WeakPolarHBondContact O-CD 3.4Å; D186-K190 VanDerWaalsContact O-CG 3.25Å; D186-K190 WeakPolarHBondContact O-CG 3.45Å; D186-K190 PolarHBondContact O-N 3.43Å; D186-K190 VanDerWaalsContact O-N 3.12Å; D186-K190 VanDerWaalsContact OD2-CE 3.27Å; D186-K190 WeakPolarHBondContact OD2-CE 3.38Å; D186-K190 IonicContact OD2-NZ 3.93Å; D186-K190 PolarHBondContact OD2-NZ 3.4Å |
| 187 | F | 94.7 | Very high | 94.8 | Very high | 130 Ų | 130 | 105.3 Ų | 105.3 | 57% | 0.57 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.5 | -41.9 | 166.4 | -86.1 | -63.9 | 0 | 0 | 0 | 112.6 | I183 R184 K190 M191 | I183-F187 HydrophobicContact CG2-CD2 3.74Å; I183-F187 HydrophobicContact CG2-CE2 3.69Å; I183-F187 VanDerWaalsContact O-CD2 3.24Å; I183-F187 WeakPolarHBondContact O-CD2 3.49Å; I183-F187 PolarHBondContact O-N 3.05Å; R184-F187 PolarHBondContact O-N 2.89Å; F187-K190 PolarHBondContact O-N 2.85Å; F187-M191 WeakPolarHBondContact O-CB 3.44Å; F187-M191 WeakPolarHBondContact O-CG 3.21Å; F187-M191 PolarHBondContact O-N 3.03Å |
| 188 | E | 94.3 | Very high | 94.7 | Very high | 145 Ų | 145 | 105.8 Ų | 105.8 | 68% | 0.678 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61 | -44.1 | 176.7 | -175.4 | 168.4 | -139.1 | 0 | 0 | 111.3 | R184 K185 M191 E192 | R184-E188 WeakPolarHBondContact O-CB 3.19Å; R184-E188 PolarHBondContact O-N 3.3Å; K185-E188 PolarHBondContact O-N 3.17Å; E188-M191 WeakPolarHBondContact O-CB 3.44Å; E188-M191 PolarHBondContact O-N 3.09Å; E188-E192 PolarHBondContact O-N 3.2Å |
| 189 | R | 95.9 | Very high | 94.6 | Very high | 117 Ų | 117 | 105.4 Ų | 105.4 | 44% | 0.442 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -55.9 | -52 | 170.9 | -178.9 | -180 | 67.5 | 86.2 | -7.5 | 112.2 | K185 D186 M191 E192 E193 | K185-R189 WeakPolarHBondContact O-CB 3.4Å; K185-R189 PolarHBondContact O-N 3.31Å; D186-R189 IonicContact OD1-CZ 2.73Å; D186-R189 VanDerWaalsContact OD1-CZ 3.23Å; D186-R189 IonicContact OD1-NE 2.65Å; D186-R189 PolarHBondContact OD1-NE 2.9Å; D186-R189 IonicContact OD1-NH2 2.6Å; D186-R189 PolarHBondContact OD1-NH2 3.48Å; D186-R189 IonicContact OD2-NH2 2.73Å; R189-M191 VanDerWaalsContact C-N 3.28Å; R189-M191 PolarHBondContact O-N 3.26Å; R189-E192 PolarHBondContact O-N 3.01Å; R189-E193 VanDerWaalsContact CG-OE1 3.3Å; R189-E193 WeakPolarHBondContact CG-OE1 3.35Å; R189-E193 IonicContact CZ-OE1 3.14Å; R189-E193 IonicContact NH1-OE1 2.85Å; R189-E193 PolarHBondContact NH1-OE1 3.05Å; R189-E193 IonicContact NH1-OE2 3.61Å; R189-E193 PolarHBondContact NH1-OE2 3.37Å; R189-E193 WeakPolarHBondContact O-CB 3.24Å; R189-E193 WeakPolarHBondContact O-CG 3.28Å; R189-E193 PolarHBondContact O-N 3.19Å |
| 190 | K | 94.7 | Very high | 94.6 | Very high | 92 Ų | 92 | 106 Ų | 106 | 40% | 0.4 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61 | -35.4 | 178.7 | -73.6 | 161.3 | 179.7 | 155.3 | 0 | 112.6 | D186 F187 Q194 | D186-K190 VanDerWaalsContact O-CD 3.3Å; D186-K190 WeakPolarHBondContact O-CD 3.4Å; D186-K190 VanDerWaalsContact O-CG 3.25Å; D186-K190 WeakPolarHBondContact O-CG 3.45Å; D186-K190 PolarHBondContact O-N 3.43Å; D186-K190 VanDerWaalsContact O-N 3.12Å; D186-K190 VanDerWaalsContact OD2-CE 3.27Å; D186-K190 WeakPolarHBondContact OD2-CE 3.38Å; D186-K190 IonicContact OD2-NZ 3.93Å; D186-K190 PolarHBondContact OD2-NZ 3.4Å; F187-K190 PolarHBondContact O-N 2.85Å; K190-Q194 WeakPolarHBondContact O-CB 3.37Å; K190-Q194 WeakPolarHBondContact O-CG 3.48Å; K190-Q194 PolarHBondContact O-N 3.14Å |
| 191 | M | 93.8 | Very high | 94.7 | Very high | 137 Ų | 137 | 105.5 Ų | 105.5 | 68% | 0.675 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67.2 | -43.5 | 175.6 | -78.9 | -69 | -68.6 | 0 | 0 | 112 | F187 E188 R189 Q194 K195 | F187-M191 WeakPolarHBondContact O-CB 3.44Å; F187-M191 WeakPolarHBondContact O-CG 3.21Å; F187-M191 PolarHBondContact O-N 3.03Å; E188-M191 WeakPolarHBondContact O-CB 3.44Å; E188-M191 PolarHBondContact O-N 3.09Å; R189-M191 VanDerWaalsContact C-N 3.28Å; R189-M191 PolarHBondContact O-N 3.26Å; M191-Q194 PolarHBondContact O-N 2.97Å; M191-K195 VanDerWaalsContact O-CB 3.25Å; M191-K195 WeakPolarHBondContact O-CB 3.41Å; M191-K195 PolarHBondContact O-N 2.89Å |
| 192 | E | 94.2 | Very high | 94.6 | Very high | 84 Ų | 84 | 103.6 Ų | 103.6 | 39% | 0.393 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.3 | -38.3 | 177.5 | -167.4 | 57.9 | -145.4 | 0 | 0 | 111.9 | E188 R189 Q194 K195 M196 | E188-E192 PolarHBondContact O-N 3.2Å; R189-E192 PolarHBondContact O-N 3.01Å; E192-Q194 PolarHBondContact O-N 2.85Å; E192-K195 PolarHBondContact O-N 2.98Å; E192-K195 IonicContact OE1-NZ 2.93Å; E192-K195 PolarHBondContact OE1-NZ 2.85Å; E192-K195 WeakPolarHBondContact OE2-CD 3.35Å; E192-K195 IonicContact OE2-NZ 3.05Å; E192-K195 PolarHBondContact OE2-NZ 2.87Å; E192-M196 WeakPolarHBondContact O-CB 3.12Å; E192-M196 WeakPolarHBondContact O-CG 3.32Å; E192-M196 PolarHBondContact O-N 3.17Å |
| 193 | E | 95.1 | Very high | 94.5 | Very high | 91 Ų | 91 | 105.8 Ų | 105.8 | 43% | 0.425 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -56.6 | -49.1 | 171.1 | -75.1 | 169.7 | -172 | 0 | 0 | 111.6 | R189 M196 I197 | R189-E193 VanDerWaalsContact CG-OE1 3.3Å; R189-E193 WeakPolarHBondContact CG-OE1 3.35Å; R189-E193 IonicContact CZ-OE1 3.14Å; R189-E193 IonicContact NH1-OE1 2.85Å; R189-E193 PolarHBondContact NH1-OE1 3.05Å; R189-E193 IonicContact NH1-OE2 3.61Å; R189-E193 PolarHBondContact NH1-OE2 3.37Å; R189-E193 WeakPolarHBondContact O-CB 3.24Å; R189-E193 WeakPolarHBondContact O-CG 3.28Å; R189-E193 PolarHBondContact O-N 3.19Å; E193-M196 PolarHBondContact O-N 3.14Å; E193-I197 WeakPolarHBondContact O-CG1 3.28Å; E193-I197 PolarHBondContact O-N 3.34Å; E193-I197 VanDerWaalsContact O-N 3.09Å |
| 194 | Q | 94 | Very high | 94.5 | Very high | 94 Ų | 94 | 106.4 Ų | 106.4 | 44% | 0.439 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 175.2 | -76.9 | -69 | -31.7 | 0 | 0 | 112.2 | K190 M191 E192 M196 I197 Y198 | K190-Q194 WeakPolarHBondContact O-CB 3.37Å; K190-Q194 WeakPolarHBondContact O-CG 3.48Å; K190-Q194 PolarHBondContact O-N 3.14Å; M191-Q194 PolarHBondContact O-N 2.97Å; E192-Q194 PolarHBondContact O-N 2.85Å; Q194-M196 VanDerWaalsContact C-N 3.3Å; Q194-M196 PolarHBondContact O-N 3.09Å; Q194-I197 WeakPolarHBondContact O-CB 3.44Å; Q194-I197 PolarHBondContact O-N 3.1Å; Q194-I197 VanDerWaalsContact O-N 3.14Å; Q194-Y198 WeakPolarHBondContact O-CD2 3.32Å; Q194-Y198 PolarHBondContact O-N 2.97Å |
| 195 | K | 93 | Very high | 94.5 | Very high | 102 Ų | 102 | 103.7 Ų | 103.7 | 44% | 0.443 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57 | -42.8 | 177.1 | 168.4 | 164.4 | 158.7 | -90.8 | 0 | 111.7 | M191 E192 Y198 M199 | M191-K195 VanDerWaalsContact O-CB 3.25Å; M191-K195 WeakPolarHBondContact O-CB 3.41Å; M191-K195 PolarHBondContact O-N 2.89Å; E192-K195 PolarHBondContact O-N 2.98Å; E192-K195 IonicContact OE1-NZ 2.93Å; E192-K195 PolarHBondContact OE1-NZ 2.85Å; E192-K195 WeakPolarHBondContact OE2-CD 3.35Å; E192-K195 IonicContact OE2-NZ 3.05Å; E192-K195 PolarHBondContact OE2-NZ 2.87Å; K195-Y198 PolarHBondContact O-N 3.49Å; K195-M199 HydrophobicContact CG-SD 3.96Å; K195-M199 WeakPolarHBondContact O-CB 3.3Å; K195-M199 VanDerWaalsContact O-CG 3.27Å; K195-M199 WeakPolarHBondContact O-CG 3.18Å; K195-M199 PolarHBondContact O-N 2.85Å |
| 196 | M | 94.7 | Very high | 94.4 | Very high | 107 Ų | 107 | 106.8 Ų | 106.8 | 53% | 0.527 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 175.6 | -75.3 | -64.9 | -70.8 | 0 | 0 | 112.8 | E192 E193 Q194 M199 K200 | E192-M196 WeakPolarHBondContact O-CB 3.12Å; E192-M196 WeakPolarHBondContact O-CG 3.32Å; E192-M196 PolarHBondContact O-N 3.17Å; E193-M196 PolarHBondContact O-N 3.14Å; Q194-M196 VanDerWaalsContact C-N 3.3Å; Q194-M196 PolarHBondContact O-N 3.09Å; M196-M199 PolarHBondContact O-N 3.16Å; M196-K200 WeakPolarHBondContact O-CB 3.48Å; M196-K200 PolarHBondContact O-N 3.28Å |
| 197 | I | 95.2 | Very high | 94.3 | Very high | 82 Ų | 82 | 109.1 Ų | 109.1 | 42% | 0.421 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.9 | -49.6 | 173.1 | -67.5 | 163.5 | 0 | 0 | 0 | 110.7 | E193 Q194 M199 K200 N201 | E193-I197 WeakPolarHBondContact O-CG1 3.28Å; E193-I197 PolarHBondContact O-N 3.34Å; E193-I197 VanDerWaalsContact O-N 3.09Å; Q194-I197 WeakPolarHBondContact O-CB 3.44Å; Q194-I197 PolarHBondContact O-N 3.1Å; Q194-I197 VanDerWaalsContact O-N 3.14Å; I197-M199 PolarHBondContact O-N 3.41Å; I197-K200 PolarHBondContact O-N 2.7Å; I197-N201 WeakPolarHBondContact O-CB 3.33Å; I197-N201 PolarHBondContact O-N 3.19Å; I197-N201 PolarHBondContact O-OD1 2.65Å |
| 198 | Y | 92.4 | Very high | 94.3 | Very high | 148 Ų | 148 | 109.9 Ų | 109.9 | 58% | 0.58 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.3 | -36.9 | 178.7 | -75.2 | -67.7 | 0 | 0 | 0 | 112.9 | Q194 K195 T202 | Q194-Y198 WeakPolarHBondContact O-CD2 3.32Å; Q194-Y198 PolarHBondContact O-N 2.97Å; K195-Y198 PolarHBondContact O-N 3.49Å; Y198-T202 WeakPolarHBondContact O-CB 3.4Å; Y198-T202 PolarHBondContact O-N 3.41Å; Y198-T202 PolarHBondContact O-OG1 3.19Å |
| 199 | M | 94.4 | Very high | 94.3 | Very high | 109 Ų | 109 | 107.5 Ų | 107.5 | 54% | 0.537 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 173.7 | -77.3 | 177.6 | 60.6 | 0 | 0 | 111.8 | K195 M196 I197 T202 K203 | K195-M199 HydrophobicContact CG-SD 3.96Å; K195-M199 WeakPolarHBondContact O-CB 3.3Å; K195-M199 VanDerWaalsContact O-CG 3.27Å; K195-M199 WeakPolarHBondContact O-CG 3.18Å; K195-M199 PolarHBondContact O-N 2.85Å; M196-M199 PolarHBondContact O-N 3.16Å; I197-M199 PolarHBondContact O-N 3.41Å; M199-T202 PolarHBondContact O-N 3.15Å; M199-K203 PolarHBondContact O-N 2.8Å |
| 200 | K | 95.2 | Very high | 94.1 | Very high | 122 Ų | 122 | 105.3 Ų | 105.3 | 53% | 0.53 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.8 | -54.7 | 174.3 | 179 | -177.6 | 169.3 | -176.9 | 0 | 111.2 | M196 I197 T202 K203 E204 | M196-K200 WeakPolarHBondContact O-CB 3.48Å; M196-K200 PolarHBondContact O-N 3.28Å; I197-K200 PolarHBondContact O-N 2.7Å; K200-T202 PolarHBondContact O-N 2.84Å; K200-K203 WeakPolarHBondContact O-CA 3.39Å; K200-K203 WeakPolarHBondContact O-CB 3.48Å; K200-K203 PolarHBondContact O-N 3.33Å; K200-E204 VanDerWaalsContact CE-CD 3.48Å; K200-E204 WeakPolarHBondContact CE-OE1 3.27Å; K200-E204 HydrophobicContact CG-CG 4.41Å; K200-E204 IonicContact NZ-OE1 3.93Å; K200-E204 PolarHBondContact O-N 3.14Å |
| 201 | N | 94.6 | Very high | 94.1 | Very high | 78 Ų | 78 | 105.7 Ų | 105.7 | 42% | 0.417 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58 | -38.6 | -179.9 | -64.1 | -5.8 | 0 | 0 | 0 | 111.6 | I197 L205 | I197-N201 WeakPolarHBondContact O-CB 3.33Å; I197-N201 PolarHBondContact O-N 3.19Å; I197-N201 PolarHBondContact O-OD1 2.65Å; N201-L205 VanDerWaalsContact O-CB 3.27Å; N201-L205 WeakPolarHBondContact O-CB 3.36Å; N201-L205 PolarHBondContact O-N 2.86Å |
| 202 | T | 92.8 | Very high | 94.1 | Very high | 65 Ų | 65 | 103.7 Ų | 103.7 | 40% | 0.399 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.9 | -31 | 176.6 | -60.1 | 0 | 0 | 0 | 0 | 112.7 | Y198 M199 K200 R206 | Y198-T202 WeakPolarHBondContact O-CB 3.4Å; Y198-T202 PolarHBondContact O-N 3.41Å; Y198-T202 PolarHBondContact O-OG1 3.19Å; M199-T202 PolarHBondContact O-N 3.15Å; K200-T202 PolarHBondContact O-N 2.84Å; T202-R206 WeakPolarHBondContact O-CG 3.4Å; T202-R206 PolarHBondContact O-N 3.05Å |
| 203 | K | 94.9 | Very high | 94.1 | Very high | 121 Ų | 121 | 107 Ų | 107 | 53% | 0.526 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72.6 | -51.6 | 173.6 | -179.2 | -175.3 | 164.8 | -175.7 | 0 | 110.6 | M199 K200 L205 R206 E207 | M199-K203 PolarHBondContact O-N 2.8Å; K200-K203 WeakPolarHBondContact O-CA 3.39Å; K200-K203 WeakPolarHBondContact O-CB 3.48Å; K200-K203 PolarHBondContact O-N 3.33Å; K203-L205 VanDerWaalsContact C-N 3.26Å; K203-L205 PolarHBondContact O-N 2.98Å; K203-R206 WeakPolarHBondContact O-CB 3.37Å; K203-R206 PolarHBondContact O-N 2.64Å; K203-E207 WeakPolarHBondContact CE-OE1 3.46Å; K203-E207 WeakPolarHBondContact CE-OE2 3.39Å; K203-E207 HydrophobicContact CG-CG 4.47Å; K203-E207 IonicContact NZ-OE1 2.78Å; K203-E207 PolarHBondContact NZ-OE1 3.02Å; K203-E207 PolarHBondContact O-N 3.32Å |
| 204 | E | 94.8 | Very high | 94 | Very high | 93 Ų | 93 | 108.9 Ų | 108.9 | 44% | 0.435 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.9 | -38.1 | 179.7 | -69.2 | 177.3 | 160.8 | 0 | 0 | 111.7 | K200 E207 K208 | K200-E204 VanDerWaalsContact CE-CD 3.48Å; K200-E204 WeakPolarHBondContact CE-OE1 3.27Å; K200-E204 HydrophobicContact CG-CG 4.41Å; K200-E204 IonicContact NZ-OE1 3.93Å; K200-E204 PolarHBondContact O-N 3.14Å; E204-E207 PolarHBondContact O-N 3.42Å; E204-K208 WeakPolarHBondContact O-CB 3.31Å; E204-K208 PolarHBondContact O-N 2.99Å |
| 205 | L | 94.1 | Very high | 94 | Very high | 104 Ų | 104 | 108.4 Ų | 108.4 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 174.2 | -176.7 | 60.7 | 0 | 0 | 0 | 112.7 | N201 K203 L209 | N201-L205 VanDerWaalsContact O-CB 3.27Å; N201-L205 WeakPolarHBondContact O-CB 3.36Å; N201-L205 PolarHBondContact O-N 2.86Å; K203-L205 VanDerWaalsContact C-N 3.26Å; K203-L205 PolarHBondContact O-N 2.98Å; L205-L209 HydrophobicContact CD1-CD1 4.3Å; L205-L209 HydrophobicContact CD1-CG 4.48Å; L205-L209 HydrophobicContact CG-CD1 4.16Å; L205-L209 WeakPolarHBondContact O-CB 3.49Å; L205-L209 VanDerWaalsContact O-CG 3.26Å; L205-L209 WeakPolarHBondContact O-CG 3.42Å; L205-L209 PolarHBondContact O-N 3.27Å |
| 206 | R | 93.6 | Very high | 93.9 | Very high | 167 Ų | 167 | 108.1 Ų | 108.1 | 63% | 0.63 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.3 | -46.8 | 174.1 | -72.1 | 178.6 | -141.7 | -149.6 | 3.8 | 111.5 | T202 K203 K208 L209 D210 | T202-R206 WeakPolarHBondContact O-CG 3.4Å; T202-R206 PolarHBondContact O-N 3.05Å; K203-R206 WeakPolarHBondContact O-CB 3.37Å; K203-R206 PolarHBondContact O-N 2.64Å; R206-K208 VanDerWaalsContact C-N 3.28Å; R206-K208 PolarHBondContact O-N 3.07Å; R206-L209 PolarHBondContact O-N 3.25Å; R206-L209 VanDerWaalsContact O-N 3.13Å; R206-D210 PolarHBondContact O-N 2.69Å |
| 207 | E | 94.8 | Very high | 93.8 | Very high | 104 Ų | 104 | 107 Ų | 107 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61 | -38.6 | 179.4 | -70.9 | 176.1 | 153.6 | 0 | 0 | 111.3 | K203 E204 L211 | K203-E207 WeakPolarHBondContact CE-OE1 3.46Å; K203-E207 WeakPolarHBondContact CE-OE2 3.39Å; K203-E207 HydrophobicContact CG-CG 4.47Å; K203-E207 IonicContact NZ-OE1 2.78Å; K203-E207 PolarHBondContact NZ-OE1 3.02Å; K203-E207 PolarHBondContact O-N 3.32Å; E204-E207 PolarHBondContact O-N 3.42Å; E207-L211 VanDerWaalsContact O-CB 3.28Å; E207-L211 WeakPolarHBondContact O-CB 3.42Å; E207-L211 PolarHBondContact O-N 3.03Å |
| 208 | K | 94.1 | Very high | 93.6 | Very high | 145 Ų | 145 | 108.8 Ų | 108.8 | 63% | 0.63 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64 | -44.2 | 172.2 | -175.3 | 176.5 | 179.2 | 179.4 | 0 | 112.9 | E204 R206 L211 Q212 | E204-K208 WeakPolarHBondContact O-CB 3.31Å; E204-K208 PolarHBondContact O-N 2.99Å; R206-K208 VanDerWaalsContact C-N 3.28Å; R206-K208 PolarHBondContact O-N 3.07Å; K208-L211 PolarHBondContact O-N 2.9Å; K208-Q212 WeakPolarHBondContact O-CB 3.32Å; K208-Q212 PolarHBondContact O-N 3.12Å |
| 209 | L | 93.1 | Very high | 93.6 | Very high | 95 Ų | 95 | 107 Ų | 107 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69 | -40.3 | 179.4 | -73.2 | 168.8 | 0 | 0 | 0 | 112.3 | L205 R206 Q212 R213 | L205-L209 HydrophobicContact CD1-CD1 4.3Å; L205-L209 HydrophobicContact CD1-CG 4.48Å; L205-L209 HydrophobicContact CG-CD1 4.16Å; L205-L209 WeakPolarHBondContact O-CB 3.49Å; L205-L209 VanDerWaalsContact O-CG 3.26Å; L205-L209 WeakPolarHBondContact O-CG 3.42Å; L205-L209 PolarHBondContact O-N 3.27Å; R206-L209 PolarHBondContact O-N 3.25Å; R206-L209 VanDerWaalsContact O-N 3.13Å; L209-Q212 PolarHBondContact O-N 3.44Å; L209-R213 VanDerWaalsContact O-CB 3.24Å; L209-R213 WeakPolarHBondContact O-CB 3.36Å; L209-R213 PolarHBondContact O-N 3.46Å |
| 210 | D | 93 | Very high | 93.4 | Very high | 71 Ų | 71 | 104 Ų | 104 | 38% | 0.38 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.4 | -32.1 | 174.5 | -90.2 | -42.5 | 0 | 0 | 0 | 112.2 | R206 R213 K214 | R206-D210 PolarHBondContact O-N 2.69Å; D210-R213 IonicContact OD1-CZ 2.88Å; D210-R213 IonicContact OD1-NH1 3.9Å; D210-R213 PolarHBondContact OD1-NH1 2.95Å; D210-K214 WeakPolarHBondContact O-CB 3.32Å; D210-K214 VanDerWaalsContact O-CG 3.25Å; D210-K214 WeakPolarHBondContact O-CG 3.26Å; D210-K214 PolarHBondContact O-N 3.35Å |
| 211 | L | 94.4 | Very high | 93.2 | Very high | 100 Ų | 100 | 102 Ų | 102 | 52% | 0.524 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.7 | -46.2 | 171.3 | -178.8 | 62.4 | 0 | 0 | 0 | 111.6 | E207 K208 R213 K214 N215 | E207-L211 VanDerWaalsContact O-CB 3.28Å; E207-L211 WeakPolarHBondContact O-CB 3.42Å; E207-L211 PolarHBondContact O-N 3.03Å; K208-L211 PolarHBondContact O-N 2.9Å; L211-R213 PolarHBondContact O-N 3.47Å; L211-K214 PolarHBondContact O-N 3.06Å; L211-N215 PolarHBondContact O-N 3.38Å; L211-N215 PolarHBondContact O-OD1 2.9Å |
| 212 | Q | 93.6 | Very high | 93 | Very high | 95 Ų | 95 | 103.1 Ų | 103.1 | 44% | 0.444 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.2 | -50.1 | 174.7 | 179.6 | -178 | -27.1 | 0 | 0 | 110.7 | K208 L209 K214 N215 E216 | K208-Q212 WeakPolarHBondContact O-CB 3.32Å; K208-Q212 PolarHBondContact O-N 3.12Å; L209-Q212 PolarHBondContact O-N 3.44Å; Q212-K214 VanDerWaalsContact C-N 3.32Å; Q212-K214 PolarHBondContact O-N 2.87Å; Q212-N215 PolarHBondContact O-N 3.36Å; Q212-N215 VanDerWaalsContact O-N 3.12Å; Q212-E216 HydrophobicContact CG-CG 4.45Å; Q212-E216 WeakPolarHBondContact CG-OE1 3.44Å; Q212-E216 PolarHBondContact NE2-OE1 3.42Å; Q212-E216 WeakPolarHBondContact O-CG 3.22Å; Q212-E216 PolarHBondContact O-N 2.91Å |
| 213 | R | 93.3 | Very high | 93 | Very high | 154 Ų | 154 | 106.5 Ų | 106.5 | 58% | 0.581 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -55.9 | -41.7 | 175.9 | 172.9 | -175.9 | 163.2 | -142.5 | -0.8 | 112.6 | L209 D210 L211 L217 | L209-R213 VanDerWaalsContact O-CB 3.24Å; L209-R213 WeakPolarHBondContact O-CB 3.36Å; L209-R213 PolarHBondContact O-N 3.46Å; D210-R213 IonicContact OD1-CZ 2.88Å; D210-R213 IonicContact OD1-NH1 3.9Å; D210-R213 PolarHBondContact OD1-NH1 2.95Å; L211-R213 PolarHBondContact O-N 3.47Å; R213-L217 WeakPolarHBondContact O-CB 3.49Å; R213-L217 PolarHBondContact O-N 2.81Å |
| 214 | K | 94.2 | Very high | 92.8 | Very high | 130 Ų | 130 | 106.7 Ų | 106.7 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.1 | -42.6 | 175.9 | -78.8 | 170.4 | -178.4 | 178.8 | 0 | 111.9 | D210 L211 Q212 L217 H218 | D210-K214 WeakPolarHBondContact O-CB 3.32Å; D210-K214 VanDerWaalsContact O-CG 3.25Å; D210-K214 WeakPolarHBondContact O-CG 3.26Å; D210-K214 PolarHBondContact O-N 3.35Å; L211-K214 PolarHBondContact O-N 3.06Å; Q212-K214 VanDerWaalsContact C-N 3.32Å; Q212-K214 PolarHBondContact O-N 2.87Å; K214-L217 WeakPolarHBondContact O-CB 3.42Å; K214-L217 PolarHBondContact O-N 3.17Å; K214-H218 PolarHBondContact O-N 2.89Å |
| 215 | N | 92.6 | Very high | 92.7 | Very high | 85 Ų | 85 | 105.6 Ų | 105.6 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.3 | -47 | 177.2 | -66.1 | -4.3 | 0 | 0 | 0 | 111.1 | L211 Q212 L217 H218 E219 | L211-N215 PolarHBondContact O-N 3.38Å; L211-N215 PolarHBondContact O-OD1 2.9Å; Q212-N215 PolarHBondContact O-N 3.36Å; Q212-N215 VanDerWaalsContact O-N 3.12Å; N215-L217 PolarHBondContact O-N 3.23Å; N215-H218 PolarHBondContact O-N 3.21Å; N215-E219 WeakPolarHBondContact O-CG 3.31Å; N215-E219 PolarHBondContact O-N 2.9Å |
| 216 | E | 91.6 | Very high | 92.5 | Very high | 95 Ų | 95 | 105.1 Ų | 105.1 | 44% | 0.444 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.1 | -35.8 | 175 | -71.2 | 170.6 | -175.3 | 0 | 0 | 112.4 | Q212 T220 | Q212-E216 HydrophobicContact CG-CG 4.45Å; Q212-E216 WeakPolarHBondContact CG-OE1 3.44Å; Q212-E216 PolarHBondContact NE2-OE1 3.42Å; Q212-E216 WeakPolarHBondContact O-CG 3.22Å; Q212-E216 PolarHBondContact O-N 2.91Å; E216-T220 VanDerWaalsContact O-CB 3.27Å; E216-T220 WeakPolarHBondContact O-CB 3.47Å; E216-T220 PolarHBondContact O-N 3.35Å; E216-T220 PolarHBondContact O-OG1 3.31Å |
| 217 | L | 91.8 | Very high | 92.4 | Very high | 83 Ų | 83 | 103 Ų | 103 | 44% | 0.435 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.8 | -52.3 | 175.2 | -136.9 | 170.6 | 0 | 0 | 0 | 110.9 | R213 K214 N215 E219 T220 E221 | R213-L217 WeakPolarHBondContact O-CB 3.49Å; R213-L217 PolarHBondContact O-N 2.81Å; K214-L217 WeakPolarHBondContact O-CB 3.42Å; K214-L217 PolarHBondContact O-N 3.17Å; N215-L217 PolarHBondContact O-N 3.23Å; L217-E219 PolarHBondContact O-N 3.02Å; L217-T220 CarbonylContact O-C 3.52Å; L217-T220 WeakPolarHBondContact O-CA 3.31Å; L217-T220 WeakPolarHBondContact O-CB 3.43Å; L217-T220 PolarHBondContact O-N 3.39Å; L217-E221 HydrophobicContact CD2-CG 3.92Å; L217-E221 WeakPolarHBondContact CD2-OE1 3.39Å; L217-E221 WeakPolarHBondContact O-CG 3.32Å; L217-E221 PolarHBondContact O-N 3.08Å |
| 218 | H | 91.8 | Very high | 92.1 | Very high | 120 Ų | 120 | 102.2 Ų | 102.2 | 56% | 0.556 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.4 | -39.8 | 179.2 | -78.6 | -30.3 | 0 | 0 | 0 | 113.3 | K214 N215 T220 E221 E222 | K214-H218 PolarHBondContact O-N 2.89Å; N215-H218 PolarHBondContact O-N 3.21Å; H218-T220 PolarHBondContact O-N 3Å; H218-E221 IonicContact CE1-OE2 2.59Å; H218-E221 IonicContact CG-OE2 3.34Å; H218-E221 IonicContact ND1-OE2 3.6Å; H218-E221 PolarHBondContact ND1-OE2 3.12Å; H218-E221 PolarHBondContact O-N 2.9Å; H218-E222 WeakPolarHBondContact O-CB 3.41Å; H218-E222 PolarHBondContact O-N 3.21Å |
| 219 | E | 91.8 | Very high | 92 | Very high | 111 Ų | 111 | 98.7 Ų | 98.7 | 52% | 0.519 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61 | -34.2 | 170.8 | -72.6 | -177.3 | -164.5 | 0 | 0 | 112 | N215 L217 R223 | N215-E219 WeakPolarHBondContact O-CG 3.31Å; N215-E219 PolarHBondContact O-N 2.9Å; L217-E219 PolarHBondContact O-N 3.02Å; E219-R223 VanDerWaalsContact O-CB 3.31Å; E219-R223 WeakPolarHBondContact O-CB 3.2Å; E219-R223 VanDerWaalsContact O-CG 3.25Å; E219-R223 WeakPolarHBondContact O-CG 3.49Å; E219-R223 PolarHBondContact O-N 3.41Å; E219-R223 PolarHBondContact O-NE 2.9Å; E219-R223 IonicContact OE2-CZ 3.73Å; E219-R223 IonicContact OE2-NH2 3.68Å; E219-R223 PolarHBondContact OE2-NH2 3.29Å |
| 220 | T | 91.3 | Very high | 91.8 | Very high | 47 Ų | 47 | 96.7 Ų | 96.7 | 29% | 0.288 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -77 | -33.1 | 179.2 | -60 | 0 | 0 | 0 | 0 | 111.8 | E216 L217 H218 R223 K224 | E216-T220 VanDerWaalsContact O-CB 3.27Å; E216-T220 WeakPolarHBondContact O-CB 3.47Å; E216-T220 PolarHBondContact O-N 3.35Å; E216-T220 PolarHBondContact O-OG1 3.31Å; L217-T220 CarbonylContact O-C 3.52Å; L217-T220 WeakPolarHBondContact O-CA 3.31Å; L217-T220 WeakPolarHBondContact O-CB 3.43Å; L217-T220 PolarHBondContact O-N 3.39Å; H218-T220 PolarHBondContact O-N 3Å; T220-R223 PolarHBondContact OG1-NH1 3.46Å; T220-R223 PolarHBondContact OG1-NH2 3.01Å; T220-K224 HydrophobicContact CG2-CD 4.46Å; T220-K224 WeakPolarHBondContact O-CB 3.42Å; T220-K224 WeakPolarHBondContact O-CD 3.49Å; T220-K224 WeakPolarHBondContact O-CG 3.37Å; T220-K224 PolarHBondContact O-N 2.94Å |
| 221 | E | 91.1 | Very high | 91.7 | Very high | 79 Ų | 79 | 97.2 Ų | 97.2 | 37% | 0.369 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.9 | -47.1 | 167.8 | -70.8 | 171 | 154.3 | 0 | 0 | 110.4 | L217 H218 R223 K224 N225 | L217-E221 HydrophobicContact CD2-CG 3.92Å; L217-E221 WeakPolarHBondContact CD2-OE1 3.39Å; L217-E221 WeakPolarHBondContact O-CG 3.32Å; L217-E221 PolarHBondContact O-N 3.08Å; H218-E221 IonicContact CE1-OE2 2.59Å; H218-E221 IonicContact CG-OE2 3.34Å; H218-E221 IonicContact ND1-OE2 3.6Å; H218-E221 PolarHBondContact ND1-OE2 3.12Å; H218-E221 PolarHBondContact O-N 2.9Å; E221-R223 PolarHBondContact O-N 3.04Å; E221-K224 CarbonylContact O-C 3.55Å; E221-K224 WeakPolarHBondContact O-CA 3.41Å; E221-K224 WeakPolarHBondContact O-CB 3.29Å; E221-K224 PolarHBondContact O-N 3.3Å; E221-K224 VanDerWaalsContact O-N 3.09Å; E221-N225 WeakPolarHBondContact O-CB 3.33Å; E221-N225 PolarHBondContact O-N 3.45Å; E221-N225 PolarHBondContact O-ND2 2.93Å |
| 222 | E | 89.9 | Confident | 91.5 | Very high | 102 Ų | 102 | 97.8 Ų | 97.8 | 48% | 0.477 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 176.4 | -83.8 | -57.4 | 105.8 | 0 | 0 | 112.9 | H218 K224 N225 N226 | H218-E222 WeakPolarHBondContact O-CB 3.41Å; H218-E222 PolarHBondContact O-N 3.21Å; E222-K224 VanDerWaalsContact C-N 3.27Å; E222-K224 PolarHBondContact O-N 3.33Å; E222-N225 PolarHBondContact O-N 3.47Å; E222-N225 PolarHBondContact OE1-ND2 3.45Å; E222-N226 WeakPolarHBondContact O-CB 3.33Å; E222-N226 PolarHBondContact O-N 2.86Å; E222-N226 PolarHBondContact O-ND2 2.85Å; E222-N226 PolarHBondContact OE2-ND2 3.42Å |
| 223 | R | 91.8 | Very high | 91.3 | Very high | 136 Ų | 136 | 101.9 Ų | 101.9 | 51% | 0.513 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.4 | -37.7 | 172 | -78.2 | 180 | -100.8 | 108.3 | -5.6 | 111.7 | E219 T220 E221 H227 | E219-R223 VanDerWaalsContact O-CB 3.31Å; E219-R223 WeakPolarHBondContact O-CB 3.2Å; E219-R223 VanDerWaalsContact O-CG 3.25Å; E219-R223 WeakPolarHBondContact O-CG 3.49Å; E219-R223 PolarHBondContact O-N 3.41Å; E219-R223 PolarHBondContact O-NE 2.9Å; E219-R223 IonicContact OE2-CZ 3.73Å; E219-R223 IonicContact OE2-NH2 3.68Å; E219-R223 PolarHBondContact OE2-NH2 3.29Å; T220-R223 PolarHBondContact OG1-NH1 3.46Å; T220-R223 PolarHBondContact OG1-NH2 3.01Å; E221-R223 PolarHBondContact O-N 3.04Å; R223-H227 WeakPolarHBondContact O-CB 3.48Å; R223-H227 PolarHBondContact O-N 3.47Å; R223-H227 VanDerWaalsContact O-N 3.16Å |
| 224 | K | 91.9 | Very high | 91 | Very high | 125 Ų | 125 | 97.7 Ų | 97.7 | 54% | 0.543 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -71.5 | -45.3 | 174.5 | -73.5 | 166.3 | -177.6 | 174.2 | 0 | 112.6 | T220 E221 E222 N226 H227 I228 | T220-K224 HydrophobicContact CG2-CD 4.46Å; T220-K224 WeakPolarHBondContact O-CB 3.42Å; T220-K224 WeakPolarHBondContact O-CD 3.49Å; T220-K224 WeakPolarHBondContact O-CG 3.37Å; T220-K224 PolarHBondContact O-N 2.94Å; E221-K224 CarbonylContact O-C 3.55Å; E221-K224 WeakPolarHBondContact O-CA 3.41Å; E221-K224 WeakPolarHBondContact O-CB 3.29Å; E221-K224 PolarHBondContact O-N 3.3Å; E221-K224 VanDerWaalsContact O-N 3.09Å; E222-K224 VanDerWaalsContact C-N 3.27Å; E222-K224 PolarHBondContact O-N 3.33Å; K224-N226 VanDerWaalsContact C-N 3.35Å; K224-N226 PolarHBondContact O-N 3.47Å; K224-H227 CarbonylContact O-C 3.52Å; K224-H227 WeakPolarHBondContact O-CB 3.28Å; K224-H227 PolarHBondContact O-N 2.58Å; K224-H227 VanDerWaalsContact O-N 3.15Å; K224-I228 VanDerWaalsContact O-CG1 3.3Å; K224-I228 WeakPolarHBondContact O-CG1 3.39Å; K224-I228 PolarHBondContact O-N 3.05Å |
| 225 | N | 91.6 | Very high | 90.8 | Very high | 70 Ų | 70 | 97.2 Ų | 97.2 | 37% | 0.374 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.1 | -45 | 178.5 | -69.7 | -19.4 | 0 | 0 | 0 | 110.8 | E221 E222 H227 I228 N229 | E221-N225 WeakPolarHBondContact O-CB 3.33Å; E221-N225 PolarHBondContact O-N 3.45Å; E221-N225 PolarHBondContact O-ND2 2.93Å; E222-N225 PolarHBondContact O-N 3.47Å; E222-N225 PolarHBondContact OE1-ND2 3.45Å; N225-H227 VanDerWaalsContact C-N 3.34Å; N225-H227 PolarHBondContact O-N 3.32Å; N225-I228 PolarHBondContact O-N 3.23Å; N225-N229 WeakPolarHBondContact O-CB 3.46Å; N225-N229 VanDerWaalsContact O-CG 3.3Å; N225-N229 PolarHBondContact O-N 2.97Å; N225-N229 PolarHBondContact O-ND2 2.9Å; N225-N229 VanDerWaalsContact O-ND2 3.12Å |
| 226 | N | 91.1 | Very high | 90.6 | Very high | 93 Ų | 93 | 100 Ų | 100 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.1 | -36.6 | 175.5 | -76.6 | -73 | 0 | 0 | 0 | 112.2 | E222 K224 A230 | E222-N226 WeakPolarHBondContact O-CB 3.33Å; E222-N226 PolarHBondContact O-N 2.86Å; E222-N226 PolarHBondContact O-ND2 2.85Å; E222-N226 PolarHBondContact OE2-ND2 3.42Å; K224-N226 VanDerWaalsContact C-N 3.35Å; K224-N226 PolarHBondContact O-N 3.47Å; N226-A230 WeakPolarHBondContact O-CB 3.49Å; N226-A230 PolarHBondContact O-N 3.43Å |
| 227 | H | 90.7 | Very high | 90.6 | Very high | 124 Ų | 124 | 101.4 Ų | 101.4 | 57% | 0.574 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.8 | -44 | 172.1 | -175.4 | 67.2 | 0 | 0 | 0 | 112.7 | R223 K224 N225 A230 L231 | R223-H227 WeakPolarHBondContact O-CB 3.48Å; R223-H227 PolarHBondContact O-N 3.47Å; R223-H227 VanDerWaalsContact O-N 3.16Å; K224-H227 CarbonylContact O-C 3.52Å; K224-H227 WeakPolarHBondContact O-CB 3.28Å; K224-H227 PolarHBondContact O-N 2.58Å; K224-H227 VanDerWaalsContact O-N 3.15Å; N225-H227 VanDerWaalsContact C-N 3.34Å; N225-H227 PolarHBondContact O-N 3.32Å; H227-A230 PolarHBondContact O-N 2.93Å; H227-L231 WeakPolarHBondContact O-CB 3.44Å; H227-L231 PolarHBondContact O-N 3.25Å |
| 228 | I | 90.1 | Very high | 90.4 | Very high | 87 Ų | 87 | 100.1 Ų | 100.1 | 45% | 0.446 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 175.3 | -69.3 | 163.1 | 0 | 0 | 0 | 110.4 | K224 N225 A230 L231 M232 | K224-I228 VanDerWaalsContact O-CG1 3.3Å; K224-I228 WeakPolarHBondContact O-CG1 3.39Å; K224-I228 PolarHBondContact O-N 3.05Å; N225-I228 PolarHBondContact O-N 3.23Å; I228-A230 VanDerWaalsContact C-N 3.34Å; I228-A230 PolarHBondContact O-N 2.91Å; I228-L231 PolarHBondContact O-N 3.49Å; I228-M232 HydrophobicContact CG2-CG 4.43Å; I228-M232 HydrophobicContact CG2-SD 4.08Å; I228-M232 WeakPolarHBondContact O-CB 3.33Å; I228-M232 WeakPolarHBondContact O-CG 3.43Å; I228-M232 PolarHBondContact O-N 2.96Å |
| 229 | N | 90.5 | Very high | 90.2 | Very high | 71 Ų | 71 | 102.5 Ų | 102.5 | 38% | 0.38 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 176 | -77.6 | -39.6 | 0 | 0 | 0 | 112.3 | N225 R233 | N225-N229 WeakPolarHBondContact O-CB 3.46Å; N225-N229 VanDerWaalsContact O-CG 3.3Å; N225-N229 PolarHBondContact O-N 2.97Å; N225-N229 PolarHBondContact O-ND2 2.9Å; N225-N229 VanDerWaalsContact O-ND2 3.12Å; N229-R233 VanDerWaalsContact O-CG 3.29Å; N229-R233 WeakPolarHBondContact O-CG 3.17Å; N229-R233 PolarHBondContact O-N 2.92Å |
| 230 | A | 90.4 | Very high | 89.9 | Confident | 53 Ų | 53 | 99.3 Ų | 99.3 | 44% | 0.438 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.3 | -41 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N226 H227 I228 R233 S234 | N226-A230 WeakPolarHBondContact O-CB 3.49Å; N226-A230 PolarHBondContact O-N 3.43Å; H227-A230 PolarHBondContact O-N 2.93Å; I228-A230 VanDerWaalsContact C-N 3.34Å; I228-A230 PolarHBondContact O-N 2.91Å; A230-R233 PolarHBondContact O-N 3.21Å; A230-S234 WeakPolarHBondContact O-CB 3.41Å; A230-S234 PolarHBondContact O-N 2.99Å |
| 231 | L | 90.1 | Very high | 89.7 | Confident | 82 Ų | 82 | 101.6 Ų | 101.6 | 43% | 0.429 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 177 | -157.4 | 79.8 | 0 | 0 | 0 | 111.3 | H227 I228 S234 H235 | H227-L231 WeakPolarHBondContact O-CB 3.44Å; H227-L231 PolarHBondContact O-N 3.25Å; I228-L231 PolarHBondContact O-N 3.49Å; L231-S234 WeakPolarHBondContact O-CB 3.38Å; L231-S234 PolarHBondContact O-N 3.3Å; L231-H235 PolarHBondContact O-CD2 3.31Å; L231-H235 PolarHBondContact O-N 2.97Å |
| 232 | M | 89.1 | Confident | 89.3 | Confident | 112 Ų | 112 | 102.6 Ų | 102.6 | 55% | 0.552 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.6 | -50.3 | 173.9 | -77.2 | 176.3 | 57.6 | 0 | 0 | 111.7 | I228 S234 H235 E236 | I228-M232 HydrophobicContact CG2-CG 4.43Å; I228-M232 HydrophobicContact CG2-SD 4.08Å; I228-M232 WeakPolarHBondContact O-CB 3.33Å; I228-M232 WeakPolarHBondContact O-CG 3.43Å; I228-M232 PolarHBondContact O-N 2.96Å; M232-S234 VanDerWaalsContact C-N 3.26Å; M232-S234 PolarHBondContact O-N 3.18Å; M232-H235 PolarHBondContact O-N 3.38Å; M232-E236 WeakPolarHBondContact O-CB 3.2Å; M232-E236 PolarHBondContact O-N 3.32Å |
| 233 | R | 89.7 | Confident | 89 | Confident | 181 Ų | 181 | 104.1 Ų | 104.1 | 68% | 0.683 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.1 | -36.3 | 175.8 | -69.3 | 173.2 | -163.2 | 168.7 | 6.9 | 112.2 | N229 A230 K237 | N229-R233 VanDerWaalsContact O-CG 3.29Å; N229-R233 WeakPolarHBondContact O-CG 3.17Å; N229-R233 PolarHBondContact O-N 2.92Å; A230-R233 PolarHBondContact O-N 3.21Å; R233-K237 VanDerWaalsContact O-CB 3.27Å; R233-K237 WeakPolarHBondContact O-CB 3.29Å; R233-K237 PolarHBondContact O-N 3.09Å |
| 234 | S | 88.7 | Confident | 88.6 | Confident | 65 Ų | 65 | 102 Ų | 102 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.8 | -46.2 | 175.3 | -166.1 | 0 | 0 | 0 | 0 | 111.6 | A230 L231 M232 K237 S238 | A230-S234 WeakPolarHBondContact O-CB 3.41Å; A230-S234 PolarHBondContact O-N 2.99Å; L231-S234 WeakPolarHBondContact O-CB 3.38Å; L231-S234 PolarHBondContact O-N 3.3Å; M232-S234 VanDerWaalsContact C-N 3.26Å; M232-S234 PolarHBondContact O-N 3.18Å; S234-K237 PolarHBondContact O-N 3.16Å; S234-S238 WeakPolarHBondContact O-CB 3.35Å; S234-S238 PolarHBondContact O-N 2.94Å; S234-S238 PolarHBondContact O-OG 2.91Å; S234-S238 VanDerWaalsContact O-OG 3.14Å |
| 235 | H | 89.6 | Confident | 88.2 | Confident | 121 Ų | 121 | 102.8 Ų | 102.8 | 56% | 0.56 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.2 | -39.6 | 175.5 | -76.7 | -59.7 | 0 | 0 | 0 | 112.7 | L231 M232 S238 Y239 | L231-H235 PolarHBondContact O-CD2 3.31Å; L231-H235 PolarHBondContact O-N 2.97Å; M232-H235 PolarHBondContact O-N 3.38Å; H235-S238 PolarHBondContact O-N 3.14Å; H235-Y239 VanDerWaalsContact O-CB 3.22Å; H235-Y239 WeakPolarHBondContact O-CB 3.45Å; H235-Y239 PolarHBondContact O-N 3.4Å |
| 236 | E | 88.8 | Confident | 87.7 | Confident | 142 Ų | 142 | 105.6 Ų | 105.6 | 66% | 0.664 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -70.3 | -36.7 | 177.7 | -171.1 | 160.3 | -146.9 | 0 | 0 | 111.7 | M232 Y239 A240 | M232-E236 WeakPolarHBondContact O-CB 3.2Å; M232-E236 PolarHBondContact O-N 3.32Å; E236-Y239 PolarHBondContact O-N 2.99Å; E236-A240 WeakPolarHBondContact O-CB 3.34Å; E236-A240 PolarHBondContact O-N 2.9Å |
| 237 | K | 89.6 | Confident | 87.3 | Confident | 126 Ų | 126 | 105.3 Ų | 105.3 | 55% | 0.548 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.5 | -50.2 | 168.5 | -178.4 | 175.3 | 178.8 | -71 | 0 | 111.5 | R233 S234 Y239 A240 E241 | R233-K237 VanDerWaalsContact O-CB 3.27Å; R233-K237 WeakPolarHBondContact O-CB 3.29Å; R233-K237 PolarHBondContact O-N 3.09Å; S234-K237 PolarHBondContact O-N 3.16Å; K237-Y239 VanDerWaalsContact C-N 3.29Å; K237-Y239 PolarHBondContact O-N 3.34Å; K237-A240 PolarHBondContact O-N 2.98Å; K237-E241 WeakPolarHBondContact CE-OE1 3.47Å; K237-E241 IonicContact NZ-OE1 3.67Å; K237-E241 PolarHBondContact NZ-OE1 3.08Å; K237-E241 IonicContact NZ-OE2 2.89Å; K237-E241 WeakPolarHBondContact O-CB 3.24Å; K237-E241 WeakPolarHBondContact O-CG 3.48Å; K237-E241 PolarHBondContact O-N 3.39Å |
| 238 | S | 87.8 | Confident | 86.8 | Confident | 56 Ų | 56 | 104 Ų | 104 | 39% | 0.392 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.9 | -31.5 | 177.8 | -62.9 | 0 | 0 | 0 | 0 | 112.7 | S234 H235 M242 | S234-S238 WeakPolarHBondContact O-CB 3.35Å; S234-S238 PolarHBondContact O-N 2.94Å; S234-S238 PolarHBondContact O-OG 2.91Å; S234-S238 VanDerWaalsContact O-OG 3.14Å; H235-S238 PolarHBondContact O-N 3.14Å; S238-M242 VanDerWaalsContact O-CB 3.23Å; S238-M242 WeakPolarHBondContact O-CB 3.44Å; S238-M242 PolarHBondContact O-N 3.11Å |
| 239 | Y | 88.4 | Confident | 86.3 | Confident | 169 Ų | 169 | 102.4 Ų | 102.4 | 66% | 0.663 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -72 | -38.3 | 173.4 | -177.1 | -101.7 | 0 | 0 | 0 | 111.6 | H235 E236 K237 M242 K243 | H235-Y239 VanDerWaalsContact O-CB 3.22Å; H235-Y239 WeakPolarHBondContact O-CB 3.45Å; H235-Y239 PolarHBondContact O-N 3.4Å; E236-Y239 PolarHBondContact O-N 2.99Å; K237-Y239 VanDerWaalsContact C-N 3.29Å; K237-Y239 PolarHBondContact O-N 3.34Å; Y239-M242 PolarHBondContact O-N 3.46Å; Y239-K243 WeakPolarHBondContact O-CB 3.37Å; Y239-K243 PolarHBondContact O-N 3Å |
| 240 | A | 86.4 | Confident | 85.6 | Confident | 45 Ų | 45 | 102.8 Ų | 102.8 | 37% | 0.372 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E236 K237 K243 N244 | E236-A240 WeakPolarHBondContact O-CB 3.34Å; E236-A240 PolarHBondContact O-N 2.9Å; K237-A240 PolarHBondContact O-N 2.98Å; A240-K243 PolarHBondContact O-N 3.46Å; A240-N244 VanDerWaalsContact O-CB 3.29Å; A240-N244 WeakPolarHBondContact O-CB 3.36Å; A240-N244 PolarHBondContact O-N 3.48Å; A240-N244 PolarHBondContact O-ND2 3.09Å; A240-N244 PolarHBondContact O-OD1 2.95Å |
| 241 | E | 85.4 | Confident | 85 | Confident | 94 Ų | 94 | 104.9 Ų | 104.9 | 44% | 0.439 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 173.5 | -73.4 | 169.7 | 161.9 | 0 | 0 | 111.7 | K237 N244 Y245 | K237-E241 WeakPolarHBondContact CE-OE1 3.47Å; K237-E241 IonicContact NZ-OE1 3.67Å; K237-E241 PolarHBondContact NZ-OE1 3.08Å; K237-E241 IonicContact NZ-OE2 2.89Å; K237-E241 WeakPolarHBondContact O-CB 3.24Å; K237-E241 WeakPolarHBondContact O-CG 3.48Å; K237-E241 PolarHBondContact O-N 3.39Å; E241-N244 PolarHBondContact O-N 2.91Å; E241-Y245 WeakPolarHBondContact O-CB 3.33Å; E241-Y245 PolarHBondContact O-N 3.15Å |
| 242 | M | 83.2 | Confident | 84.2 | Confident | 101 Ų | 101 | 106 Ų | 106 | 50% | 0.498 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72.4 | -35.8 | 178 | -166.3 | 167.4 | -163.4 | 0 | 0 | 112.4 | S238 Y239 Y245 Y246 | S238-M242 VanDerWaalsContact O-CB 3.23Å; S238-M242 WeakPolarHBondContact O-CB 3.44Å; S238-M242 PolarHBondContact O-N 3.11Å; Y239-M242 PolarHBondContact O-N 3.46Å; M242-Y245 PolarHBondContact O-N 2.89Å; M242-Y246 HydrophobicContact CE-CE2 3.75Å; M242-Y246 HydrophobicContact CG-CD2 4Å; M242-Y246 HydrophobicContact CG-CE2 3.68Å; M242-Y246 WeakPolarHBondContact O-CD2 3.45Å; M242-Y246 PolarHBondContact O-N 2.99Å; M242-Y246 HydrophobicContact SD-CE2 4.35Å |
| 243 | K | 84.4 | Confident | 83.5 | Confident | 134 Ų | 134 | 104.5 Ų | 104.5 | 58% | 0.583 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64 | -44.3 | 170.9 | -179.4 | -179.9 | 176.5 | -175.9 | 0 | 110.8 | Y239 A240 Y246 N247 | Y239-K243 WeakPolarHBondContact O-CB 3.37Å; Y239-K243 PolarHBondContact O-N 3Å; A240-K243 PolarHBondContact O-N 3.46Å; K243-Y246 PolarHBondContact O-N 3.36Å; K243-N247 VanDerWaalsContact O-CB 3.23Å; K243-N247 WeakPolarHBondContact O-CB 3.29Å; K243-N247 PolarHBondContact O-N 2.92Å |
| 244 | N | 83.3 | Confident | 82.5 | Confident | 91 Ų | 91 | 100.8 Ų | 100.8 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 174.1 | -71.1 | -7.4 | 0 | 0 | 0 | 110.2 | A240 E241 Y246 N247 D248 | A240-N244 VanDerWaalsContact O-CB 3.29Å; A240-N244 WeakPolarHBondContact O-CB 3.36Å; A240-N244 PolarHBondContact O-N 3.48Å; A240-N244 PolarHBondContact O-ND2 3.09Å; A240-N244 PolarHBondContact O-OD1 2.95Å; E241-N244 PolarHBondContact O-N 2.91Å; N244-Y246 VanDerWaalsContact C-N 3.34Å; N244-Y246 PolarHBondContact O-N 3.48Å; N244-N247 CarbonylContact O-C 3.59Å; N244-N247 PolarHBondContact O-N 3.34Å; N244-D248 VanDerWaalsContact O-CB 3.26Å; N244-D248 WeakPolarHBondContact O-CB 3.35Å; N244-D248 PolarHBondContact O-N 2.93Å |
| 245 | Y | 83.7 | Confident | 81.4 | Confident | 142 Ų | 142 | 99.8 Ų | 99.8 | 56% | 0.557 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -55.6 | -42.3 | 175 | 175.8 | -102.9 | 0 | 0 | 0 | 113.3 | E241 M242 I249 | E241-Y245 WeakPolarHBondContact O-CB 3.33Å; E241-Y245 PolarHBondContact O-N 3.15Å; M242-Y245 PolarHBondContact O-N 2.89Å; Y245-I249 HydrophobicContact CD1-CD1 3.93Å; Y245-I249 HydrophobicContact CE1-CD1 3.43Å; Y245-I249 VanDerWaalsContact CE1-CD1 3.43Å; Y245-I249 HydrophobicContact CE2-CD1 4.11Å; Y245-I249 HydrophobicContact CG-CD1 4.46Å; Y245-I249 WeakPolarHBondContact O-CB 3.43Å; Y245-I249 VanDerWaalsContact O-CG1 3.3Å; Y245-I249 WeakPolarHBondContact O-CG1 3.25Å; Y245-I249 PolarHBondContact O-N 3.39Å |
| 246 | Y | 81.3 | Confident | 80.2 | Confident | 128 Ų | 128 | 97.2 Ų | 97.2 | 50% | 0.502 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -73.2 | -33.6 | 174.2 | -75.1 | -58 | 0 | 0 | 0 | 113.7 | M242 K243 N244 I249 T250 | M242-Y246 HydrophobicContact CE-CE2 3.75Å; M242-Y246 HydrophobicContact CG-CD2 4Å; M242-Y246 HydrophobicContact CG-CE2 3.68Å; M242-Y246 WeakPolarHBondContact O-CD2 3.45Å; M242-Y246 PolarHBondContact O-N 2.99Å; M242-Y246 HydrophobicContact SD-CE2 4.35Å; K243-Y246 PolarHBondContact O-N 3.36Å; N244-Y246 VanDerWaalsContact C-N 3.34Å; N244-Y246 PolarHBondContact O-N 3.48Å; Y246-I249 HydrophobicContact CD1-CD1 4.43Å; Y246-I249 PolarHBondContact O-N 2.62Å; Y246-T250 WeakPolarHBondContact O-CB 3.37Å; Y246-T250 PolarHBondContact O-N 3.15Å; Y246-T250 PolarHBondContact O-OG1 3.43Å |
| 247 | N | 82.4 | Confident | 78.9 | Confident | 87 Ų | 87 | 95.3 Ų | 95.3 | 47% | 0.465 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71.3 | -37.2 | 176.3 | -162.4 | 68.5 | 0 | 0 | 0 | 111.2 | K243 N244 T250 L251 | K243-N247 VanDerWaalsContact O-CB 3.23Å; K243-N247 WeakPolarHBondContact O-CB 3.29Å; K243-N247 PolarHBondContact O-N 2.92Å; N244-N247 CarbonylContact O-C 3.59Å; N244-N247 PolarHBondContact O-N 3.34Å; N247-T250 CarbonylContact O-C 3.6Å; N247-T250 WeakPolarHBondContact O-CB 3.34Å; N247-T250 PolarHBondContact O-N 3.49Å; N247-T250 VanDerWaalsContact O-N 3.14Å; N247-L251 WeakPolarHBondContact O-CB 3.42Å; N247-L251 WeakPolarHBondContact O-CG 3.36Å; N247-L251 PolarHBondContact O-N 3.06Å |
| 248 | D | 79.8 | Confident | 77.4 | Confident | 97 Ų | 97 | 94.1 Ų | 94.1 | 52% | 0.519 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 170.3 | -69.4 | -18.8 | 0 | 0 | 0 | 110.4 | N244 T250 N252 | N244-D248 VanDerWaalsContact O-CB 3.26Å; N244-D248 WeakPolarHBondContact O-CB 3.35Å; N244-D248 PolarHBondContact O-N 2.93Å; D248-T250 VanDerWaalsContact C-N 3.26Å; D248-T250 PolarHBondContact O-N 3.4Å; D248-N252 WeakPolarHBondContact O-CA 3.49Å; D248-N252 WeakPolarHBondContact O-CB 3.48Å; D248-N252 PolarHBondContact O-N 2.94Å |
| 249 | I | 78.9 | Confident | 76.2 | Confident | 54 Ų | 54 | 93.3 Ų | 93.3 | 28% | 0.277 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.4 | -36.5 | 168.2 | -78.7 | 170.5 | 0 | 0 | 0 | 111.1 | Y245 Y246 N253 | Y245-I249 HydrophobicContact CD1-CD1 3.93Å; Y245-I249 HydrophobicContact CE1-CD1 3.43Å; Y245-I249 VanDerWaalsContact CE1-CD1 3.43Å; Y245-I249 HydrophobicContact CE2-CD1 4.11Å; Y245-I249 HydrophobicContact CG-CD1 4.46Å; Y245-I249 WeakPolarHBondContact O-CB 3.43Å; Y245-I249 VanDerWaalsContact O-CG1 3.3Å; Y245-I249 WeakPolarHBondContact O-CG1 3.25Å; Y245-I249 PolarHBondContact O-N 3.39Å; Y246-I249 HydrophobicContact CD1-CD1 4.43Å; Y246-I249 PolarHBondContact O-N 2.62Å; I249-N253 WeakPolarHBondContact O-CB 3.45Å; I249-N253 PolarHBondContact O-N 3.18Å; I249-N253 PolarHBondContact O-ND2 2.96Å |
| 250 | T | 77 | Confident | 74.4 | Confident | 78 Ų | 78 | 89.5 Ų | 89.5 | 48% | 0.479 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -73.4 | -43.5 | -179.3 | -55.5 | 0 | 0 | 0 | 0 | 111.6 | Y246 N247 D248 N253 L254 | Y246-T250 WeakPolarHBondContact O-CB 3.37Å; Y246-T250 PolarHBondContact O-N 3.15Å; Y246-T250 PolarHBondContact O-OG1 3.43Å; N247-T250 CarbonylContact O-C 3.6Å; N247-T250 WeakPolarHBondContact O-CB 3.34Å; N247-T250 PolarHBondContact O-N 3.49Å; N247-T250 VanDerWaalsContact O-N 3.14Å; D248-T250 VanDerWaalsContact C-N 3.26Å; D248-T250 PolarHBondContact O-N 3.4Å; T250-N253 PolarHBondContact O-N 2.73Å; T250-L254 PolarHBondContact O-N 2.73Å |
| 251 | L | 77.4 | Confident | 72.7 | Confident | 98 Ų | 98 | 95 Ų | 95 | 51% | 0.513 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 171.3 | -77 | 167 | 0 | 0 | 0 | 111.7 | N247 L254 A255 | N247-L251 WeakPolarHBondContact O-CB 3.42Å; N247-L251 WeakPolarHBondContact O-CG 3.36Å; N247-L251 PolarHBondContact O-N 3.06Å; L251-L254 WeakPolarHBondContact O-CB 3.5Å; L251-L254 PolarHBondContact O-N 2.85Å; L251-A255 WeakPolarHBondContact O-CB 3.38Å; L251-A255 PolarHBondContact O-N 3.43Å |
| 252 | N | 73.3 | Confident | 71 | Confident | 104 Ų | 104 | 96.9 Ų | 96.9 | 56% | 0.556 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -70.4 | -31.1 | 176.3 | -167.7 | 20.4 | 0 | 0 | 0 | 111.1 | D248 A255 L256 | D248-N252 WeakPolarHBondContact O-CA 3.49Å; D248-N252 WeakPolarHBondContact O-CB 3.48Å; D248-N252 PolarHBondContact O-N 2.94Å; N252-A255 CarbonylContact O-C 3.53Å; N252-A255 PolarHBondContact O-N 3.3Å; N252-L256 WeakPolarHBondContact O-CA 3.33Å; N252-L256 WeakPolarHBondContact O-CB 3.46Å; N252-L256 PolarHBondContact O-N 3.39Å |
| 253 | N | 73.7 | Confident | 69.3 | Low | 81 Ų | 81 | 95.6 Ų | 95.6 | 43% | 0.433 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.6 | -37.2 | 171.2 | -77.2 | -19.7 | 0 | 0 | 0 | 111.7 | I249 T250 L256 I257 | I249-N253 WeakPolarHBondContact O-CB 3.45Å; I249-N253 PolarHBondContact O-N 3.18Å; I249-N253 PolarHBondContact O-ND2 2.96Å; T250-N253 PolarHBondContact O-N 2.73Å; N253-L256 PolarHBondContact O-N 3.22Å; N253-I257 VanDerWaalsContact O-CG1 3.3Å; N253-I257 WeakPolarHBondContact O-CG1 3.41Å; N253-I257 PolarHBondContact O-N 3.43Å |
| 254 | L | 70.2 | Confident | 67.5 | Low | 104 Ų | 104 | 96.6 Ų | 96.6 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 169.9 | -83.2 | 160.1 | 0 | 0 | 0 | 111.7 | T250 L251 L256 I257 N258 | T250-L254 PolarHBondContact O-N 2.73Å; L251-L254 WeakPolarHBondContact O-CB 3.5Å; L251-L254 PolarHBondContact O-N 2.85Å; L254-L256 VanDerWaalsContact C-N 3.26Å; L254-L256 PolarHBondContact O-N 2.85Å; L254-I257 PolarHBondContact O-N 2.9Å; L254-N258 PolarHBondContact O-N 3.02Å |
| 255 | A | 64.5 | Low | 65.8 | Low | 44 Ų | 44 | 100 Ų | 100 | 36% | 0.364 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.9 | -30.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | L251 N252 N258 T259 | L251-A255 WeakPolarHBondContact O-CB 3.38Å; L251-A255 PolarHBondContact O-N 3.43Å; N252-A255 CarbonylContact O-C 3.53Å; N252-A255 PolarHBondContact O-N 3.3Å; A255-N258 PolarHBondContact O-N 3.37Å; A255-T259 WeakPolarHBondContact O-CB 3.39Å; A255-T259 WeakPolarHBondContact O-CG2 3.46Å; A255-T259 PolarHBondContact O-N 3.29Å; A255-T259 PolarHBondContact O-OG1 3Å |
| 256 | L | 65.1 | Low | 63.9 | Low | 66 Ų | 66 | 99.5 Ų | 99.5 | 35% | 0.346 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -75.1 | -32.6 | 174.7 | -175.2 | 67.4 | 0 | 0 | 0 | 111.4 | N252 N253 L254 N258 T259 L260 | N252-L256 WeakPolarHBondContact O-CA 3.33Å; N252-L256 WeakPolarHBondContact O-CB 3.46Å; N252-L256 PolarHBondContact O-N 3.39Å; N253-L256 PolarHBondContact O-N 3.22Å; L254-L256 VanDerWaalsContact C-N 3.26Å; L254-L256 PolarHBondContact O-N 2.85Å; L256-N258 VanDerWaalsContact C-N 3.29Å; L256-N258 PolarHBondContact O-N 3.31Å; L256-T259 WeakPolarHBondContact CA-OG1 3.47Å; L256-L260 HydrophobicContact CD1-CD1 4.11Å; L256-L260 HydrophobicContact CD1-CD2 4.23Å; L256-L260 HydrophobicContact CD1-CG 3.79Å; L256-L260 HydrophobicContact CD2-CD1 4.42Å; L256-L260 HydrophobicContact CG-CD1 3.78Å; L256-L260 HydrophobicContact CG-CG 3.94Å; L256-L260 WeakPolarHBondContact O-CA 3.5Å; L256-L260 WeakPolarHBondContact O-CB 3.39Å; L256-L260 WeakPolarHBondContact O-CG 3.41Å; L256-L260 PolarHBondContact O-N 3.32Å |
| 257 | I | 61.9 | Low | 62.1 | Low | 103 Ų | 103 | 103.1 Ų | 103.1 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.3 | -33.8 | 170.9 | -73.6 | 162.8 | 0 | 0 | 0 | 111.2 | N253 L254 | N253-I257 VanDerWaalsContact O-CG1 3.3Å; N253-I257 WeakPolarHBondContact O-CG1 3.41Å; N253-I257 PolarHBondContact O-N 3.43Å; L254-I257 PolarHBondContact O-N 2.9Å |
| 258 | N | 58.3 | Low | 60.2 | Low | 100 Ų | 100 | 108.4 Ų | 108.4 | 54% | 0.535 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -76 | -53 | 172.1 | -72.7 | -19.2 | 0 | 0 | 0 | 111.5 | L254 A255 L256 L260 K261 | L254-N258 PolarHBondContact O-N 3.02Å; A255-N258 PolarHBondContact O-N 3.37Å; L256-N258 VanDerWaalsContact C-N 3.29Å; L256-N258 PolarHBondContact O-N 3.31Å; N258-L260 VanDerWaalsContact C-N 3.31Å; N258-L260 PolarHBondContact O-N 3.44Å; N258-K261 VanDerWaalsContact O-CB 3.28Å; N258-K261 WeakPolarHBondContact O-CB 3.32Å; N258-K261 PolarHBondContact O-N 2.92Å |
| 259 | T | 61.3 | Low | 58.5 | Low | 40 Ų | 40 | 112.4 Ų | 112.4 | 25% | 0.245 | 55% | 0.55 | C | S | . | * | H | α-helix | trans | -72.3 | -16 | -177.7 | 54.5 | 0 | 0 | 0 | 0 | 113.8 | A255 L256 K261 E262 Q263 | A255-T259 WeakPolarHBondContact O-CB 3.39Å; A255-T259 WeakPolarHBondContact O-CG2 3.46Å; A255-T259 PolarHBondContact O-N 3.29Å; A255-T259 PolarHBondContact O-OG1 3Å; L256-T259 WeakPolarHBondContact CA-OG1 3.47Å; T259-K261 PolarHBondContact O-N 2.86Å; T259-E262 PolarHBondContact O-N 3.49Å; T259-Q263 WeakPolarHBondContact O-CA 3.34Å; T259-Q263 WeakPolarHBondContact O-CB 3.31Å; T259-Q263 VanDerWaalsContact O-CG 3.24Å; T259-Q263 WeakPolarHBondContact O-CG 3.3Å; T259-Q263 PolarHBondContact O-N 3.14Å |
| 260 | L | 52 | Low | 56.5 | Low | 88 Ų | 88 | 116.4 Ų | 116.4 | 46% | 0.461 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -72.5 | -13 | 165.7 | -76.5 | 172 | 0 | 0 | 0 | 113 | L256 N258 | L256-L260 HydrophobicContact CD1-CD1 4.11Å; L256-L260 HydrophobicContact CD1-CD2 4.23Å; L256-L260 HydrophobicContact CD1-CG 3.79Å; L256-L260 HydrophobicContact CD2-CD1 4.42Å; L256-L260 HydrophobicContact CG-CD1 3.78Å; L256-L260 HydrophobicContact CG-CG 3.94Å; L256-L260 WeakPolarHBondContact O-CA 3.5Å; L256-L260 WeakPolarHBondContact O-CB 3.39Å; L256-L260 WeakPolarHBondContact O-CG 3.41Å; L256-L260 PolarHBondContact O-N 3.32Å; N258-L260 VanDerWaalsContact C-N 3.31Å; N258-L260 PolarHBondContact O-N 3.44Å |
| 261 | K | 49.6 | Very low | 54.8 | Low | 162 Ų | 162 | 120.1 Ų | 120.1 | 70% | 0.704 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -82.5 | -24.3 | 166.7 | -60.8 | 176.4 | 179.5 | 174.6 | 0 | 112.4 | N258 T259 | N258-K261 VanDerWaalsContact O-CB 3.28Å; N258-K261 WeakPolarHBondContact O-CB 3.32Å; N258-K261 PolarHBondContact O-N 2.92Å; T259-K261 PolarHBondContact O-N 2.86Å |
| 262 | E | 50.5 | Low | 53 | Low | 133 Ų | 133 | 124.9 Ų | 124.9 | 62% | 0.621 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -98 | -38.7 | -179.5 | -66.5 | 172.5 | 128.6 | 0 | 0 | 112.6 | T259 L264 E265 | T259-E262 PolarHBondContact O-N 3.49Å; E262-L264 PolarHBondContact O-N 3.04Å; E262-E265 PolarHBondContact O-N 3.04Å |
| 263 | Q | 47.4 | Very low | 51.8 | Low | 74 Ų | 74 | 129.8 Ų | 129.8 | 35% | 0.346 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -78.7 | 4.3 | -178.3 | -65.6 | 177.6 | 8.4 | 0 | 0 | 114.1 | T259 R267 | T259-Q263 WeakPolarHBondContact O-CA 3.34Å; T259-Q263 WeakPolarHBondContact O-CB 3.31Å; T259-Q263 VanDerWaalsContact O-CG 3.24Å; T259-Q263 WeakPolarHBondContact O-CG 3.3Å; T259-Q263 PolarHBondContact O-N 3.14Å; Q263-R267 PolarHBondContact O-N 3.02Å |
| 264 | L | 46.8 | Very low | 50.6 | Low | 154 Ų | 154 | 132.5 Ų | 132.5 | 81% | 0.806 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -63.9 | -25.5 | 158.4 | -99.1 | 167.2 | 0 | 0 | 0 | 111.5 | E262 | E262-L264 PolarHBondContact O-N 3.04Å |
| 265 | E | 46.5 | Very low | 49.6 | Very low | 162 Ų | 162 | 136.1 Ų | 136.1 | 76% | 0.757 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -88.6 | -46.8 | 170.8 | -72.6 | -65.1 | 158.1 | 0 | 0 | 112.7 | E262 R267 | E262-E265 PolarHBondContact O-N 3.04Å; E265-R267 PolarHBondContact O-N 3.27Å |
| 266 | E | 44.1 | Very low | 49 | Very low | 132 Ų | 132 | 143.6 Ų | 143.6 | 62% | 0.617 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -85.2 | -6.1 | -164.4 | -161.7 | 161.6 | -147.1 | 0 | 0 | 115.9 | K268 K269 | E266-K268 PolarHBondContact O-N 3.43Å; E266-K269 PolarHBondContact O-N 3.08Å |
| 267 | R | 42.9 | Very low | 48.7 | Very low | 204 Ų | 204 | 149.4 Ų | 149.4 | 77% | 0.77 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 3.6 | 178.4 | -100.4 | -166 | 178.7 | -148.4 | 1.9 | 116.2 | Q263 E265 K269 | Q263-R267 PolarHBondContact O-N 3.02Å; E265-R267 PolarHBondContact O-N 3.27Å; R267-K269 VanDerWaalsContact C-N 3.34Å |
| 268 | K | 43.1 | Very low | 48.4 | Very low | 198 Ų | 198 | 148 Ų | 148 | 86% | 0.861 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -2.6 | 172 | -86.2 | 174.6 | 175.9 | 165.2 | 0 | 115.3 | E266 | E266-K268 PolarHBondContact O-N 3.43Š|
| 269 | K | 44.4 | Very low | 48.5 | Very low | 181 Ų | 181 | 149.8 Ų | 149.8 | 79% | 0.787 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -124.1 | 52.1 | -167.7 | -148.6 | 174 | -173.4 | -178.9 | 0 | 114.3 | E266 R267 | E266-K269 PolarHBondContact O-N 3.08Å; R267-K269 VanDerWaalsContact C-N 3.34Å |
| 270 | N | 37.3 | Very low | 48.6 | Very low | 138 Ų | 138 | 154.7 Ų | 154.7 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | trans | -89.5 | -178.8 | -173.5 | -165 | 27.5 | 0 | 0 | 0 | 113.5 | ||||
| 271 | E | 41.6 | Very low | 49.2 | Very low | 157 Ų | 157 | 156.3 Ų | 156.3 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | trans | 94.5 | -15.8 | 144 | -150 | 145.4 | -133.5 | 0 | 0 | 121.1 | R273 | E271-R273 PolarHBondContact O-N 3.04Š| ||
| 272 | E | 38.4 | Very low | 49.8 | Very low | 198 Ų | 198 | 151.5 Ų | 151.5 | 93% | 0.925 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -1.8 | -175.8 | -73.1 | -169.8 | 143 | 0 | 0 | 117.7 | ||
| 273 | R | 48.3 | Very low | 50.6 | Low | 206 Ų | 206 | 148.3 Ų | 148.3 | 78% | 0.777 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 9.4 | -164.1 | -131.5 | -176.9 | 86.4 | 177.5 | 6.2 | 117.9 | E271 | E271-R273 PolarHBondContact O-N 3.04Š|
| 274 | L | 48 | Very low | 51.6 | Low | 138 Ų | 138 | 148.7 Ų | 148.7 | 72% | 0.723 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -78.7 | -21.1 | -168.6 | -91.1 | 162.5 | 0 | 0 | 0 | 116 | R276 | L274-R276 PolarHBondContact O-N 3.49Š|
| 275 | E | 49.5 | Very low | 52.5 | Low | 181 Ų | 181 | 147 Ų | 147 | 85% | 0.846 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -75.4 | -16.3 | -164.7 | -161 | 167.2 | -154.1 | 0 | 0 | 115.5 | R277 | E275-R277 VanDerWaalsContact C-N 3.35Å; E275-R277 PolarHBondContact O-N 2.94Å |
| 276 | R | 52.1 | Low | 53.6 | Low | 201 Ų | 201 | 149.3 Ų | 149.3 | 76% | 0.758 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -75.9 | -11.6 | -169.7 | -64.1 | -175.1 | -172.1 | 159.9 | 6.7 | 116 | L274 A278 | L274-R276 PolarHBondContact O-N 3.49Å; R276-A278 PolarHBondContact O-N 3.09Å |
| 277 | R | 58.5 | Low | 54.9 | Low | 187 Ų | 187 | 151.2 Ų | 151.2 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -79 | -10 | -172.8 | -80.1 | -179.5 | 169 | 164.5 | -3 | 115.6 | E275 N279 | E275-R277 VanDerWaalsContact C-N 3.35Å; E275-R277 PolarHBondContact O-N 2.94Å; R277-N279 PolarHBondContact O-N 3.3Å |
| 278 | A | 56.5 | Low | 56.2 | Low | 73 Ų | 73 | 146.3 Ų | 146.3 | 60% | 0.603 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -68.5 | -32.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R276 | R276-A278 PolarHBondContact O-N 3.09Š|
| 279 | N | 60 | Low | 57.9 | Low | 139 Ų | 139 | 140.4 Ų | 140.4 | 74% | 0.743 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -20.8 | -169.6 | -73.3 | -24 | 0 | 0 | 0 | 114.7 | R277 A282 | R277-N279 PolarHBondContact O-N 3.3Å; N279-A282 PolarHBondContact O-N 2.6Å |
| 280 | E | 62.2 | Low | 59.4 | Low | 142 Ų | 142 | 138.1 Ų | 138.1 | 66% | 0.664 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -69.4 | -36.4 | -176.7 | -64.7 | 174.1 | 145.3 | 0 | 0 | 111.6 | A282 A283 | E280-A282 VanDerWaalsContact C-N 3.29Å; E280-A282 PolarHBondContact O-N 3.25Å; E280-A283 PolarHBondContact O-N 2.89Å |
| 281 | I | 64.6 | Low | 61.5 | Low | 123 Ų | 123 | 135.3 Ų | 135.3 | 63% | 0.631 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66.3 | -30.2 | -178.7 | -61.9 | 171.8 | 0 | 0 | 0 | 112 | A283 | I281-A283 VanDerWaalsContact C-N 3.32Å; I281-A283 PolarHBondContact O-N 3.39Å |
| 282 | A | 62.5 | Low | 63.3 | Low | 61 Ų | 61 | 132.4 Ų | 132.4 | 50% | 0.504 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -73.7 | -21.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | N279 E280 | N279-A282 PolarHBondContact O-N 2.6Å; E280-A282 VanDerWaalsContact C-N 3.29Å; E280-A282 PolarHBondContact O-N 3.25Å |
| 283 | A | 67.7 | Low | 65.4 | Low | 65 Ų | 65 | 126.3 Ų | 126.3 | 54% | 0.537 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -78.1 | -45.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E280 I281 N285 R286 | E280-A283 PolarHBondContact O-N 2.89Å; I281-A283 VanDerWaalsContact C-N 3.32Å; I281-A283 PolarHBondContact O-N 3.39Å; A283-N285 VanDerWaalsContact C-N 3.35Å; A283-N285 PolarHBondContact O-N 3.05Å; A283-R286 PolarHBondContact O-N 2.89Å; A283-R286 VanDerWaalsContact O-N 3.1Å |
| 284 | E | 68.4 | Low | 67 | Low | 82 Ų | 82 | 122.2 Ų | 122.2 | 38% | 0.383 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.5 | -37.3 | -173.1 | -170.4 | 57.6 | -159.3 | 0 | 0 | 112.6 | R286 R287 | E284-R286 PolarHBondContact O-N 3.12Å; E284-R286 VanDerWaalsContact O-N 3.17Å; E284-R287 VanDerWaalsContact CD-NE 3.35Å; E284-R287 WeakPolarHBondContact O-CB 3.38Å; E284-R287 PolarHBondContact O-N 3.3Å; E284-R287 IonicContact OE1-CZ 2.97Å; E284-R287 VanDerWaalsContact OE1-CZ 3.23Å; E284-R287 IonicContact OE1-NE 3.85Å; E284-R287 PolarHBondContact OE1-NE 3.07Å; E284-R287 IonicContact OE1-NH2 3.46Å; E284-R287 PolarHBondContact OE1-NH2 3.48Å; E284-R287 IonicContact OE2-CZ 2.97Å; E284-R287 IonicContact OE2-NE 2.67Å; E284-R287 PolarHBondContact OE2-NE 3.2Å; E284-R287 IonicContact OE2-NH2 3.23Å |
| 285 | N | 66.4 | Low | 68.7 | Low | 118 Ų | 118 | 118.1 Ų | 118.1 | 63% | 0.631 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.1 | -23.9 | 175.8 | -91 | -26.8 | 0 | 0 | 0 | 114.1 | A283 | A283-N285 VanDerWaalsContact C-N 3.35Å; A283-N285 PolarHBondContact O-N 3.05Å |
| 286 | R | 68.2 | Low | 70.3 | Confident | 212 Ų | 212 | 116.9 Ų | 116.9 | 80% | 0.8 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -78 | -27.2 | 174.2 | -63 | -174.9 | -175.1 | 177.3 | 2.4 | 112.3 | A283 E284 L288 | A283-R286 PolarHBondContact O-N 2.89Å; A283-R286 VanDerWaalsContact O-N 3.1Å; E284-R286 PolarHBondContact O-N 3.12Å; E284-R286 VanDerWaalsContact O-N 3.17Å; R286-L288 VanDerWaalsContact C-N 3.3Å; R286-L288 PolarHBondContact O-N 3.04Å |
| 287 | R | 72.1 | Confident | 71.9 | Confident | 172 Ų | 172 | 113.4 Ų | 113.4 | 65% | 0.649 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -71.4 | -22.4 | -175.9 | -160.5 | 169.5 | 73.6 | 103 | 1 | 113.4 | E284 | E284-R287 VanDerWaalsContact CD-NE 3.35Å; E284-R287 WeakPolarHBondContact O-CB 3.38Å; E284-R287 PolarHBondContact O-N 3.3Å; E284-R287 IonicContact OE1-CZ 2.97Å; E284-R287 VanDerWaalsContact OE1-CZ 3.23Å; E284-R287 IonicContact OE1-NE 3.85Å; E284-R287 PolarHBondContact OE1-NE 3.07Å; E284-R287 IonicContact OE1-NH2 3.46Å; E284-R287 PolarHBondContact OE1-NH2 3.48Å; E284-R287 IonicContact OE2-CZ 2.97Å; E284-R287 IonicContact OE2-NE 2.67Å; E284-R287 PolarHBondContact OE2-NE 3.2Å; E284-R287 IonicContact OE2-NH2 3.23Å |
| 288 | L | 71.3 | Confident | 73.3 | Confident | 101 Ų | 101 | 110.7 Ų | 110.7 | 53% | 0.529 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.4 | -4.7 | -172.7 | -61.9 | 174.8 | 0 | 0 | 0 | 114.9 | R286 | R286-L288 VanDerWaalsContact C-N 3.3Å; R286-L288 PolarHBondContact O-N 3.04Å |
| 289 | V | 77.8 | Confident | 74.7 | Confident | 74 Ų | 74 | 111.1 Ų | 111.1 | 45% | 0.448 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -79 | -41.2 | -177.8 | -177.5 | 0 | 0 | 0 | 0 | 112.1 | L292 N293 | V289-L292 PolarHBondContact O-N 2.84Å; V289-N293 PolarHBondContact O-N 3.5Å |
| 290 | E | 75.3 | Confident | 76.1 | Confident | 133 Ų | 133 | 108.8 Ų | 108.8 | 62% | 0.621 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -56.8 | -48.2 | -177.5 | -149.9 | 77.9 | -173.3 | 0 | 0 | 113.4 | L292 N293 K294 | E290-L292 VanDerWaalsContact C-N 3.34Å; E290-L292 PolarHBondContact O-N 3.37Å; E290-N293 PolarHBondContact O-N 3.07Å; E290-K294 PolarHBondContact O-N 2.88Å |
| 291 | P | 81.6 | Confident | 77.4 | Confident | 78 Ų | 78 | 105.4 Ų | 105.4 | 51% | 0.506 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.4 | -32.1 | -179.1 | -18 | 33.8 | 0 | 0 | 0 | 112.6 | N293 K294 A295 | P291-N293 VanDerWaalsContact C-N 3.32Å; P291-N293 PolarHBondContact O-N 2.96Å; P291-K294 PolarHBondContact O-N 3.2Å; P291-A295 PolarHBondContact O-N 3.3Å; P291-A295 VanDerWaalsContact O-N 3.13Å |
| 292 | L | 79.7 | Confident | 78.5 | Confident | 96 Ų | 96 | 105.3 Ų | 105.3 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.5 | -34.5 | -179.7 | -177 | 64.1 | 0 | 0 | 0 | 112 | V289 E290 R296 | V289-L292 PolarHBondContact O-N 2.84Å; E290-L292 VanDerWaalsContact C-N 3.34Å; E290-L292 PolarHBondContact O-N 3.37Å; L292-R296 WeakPolarHBondContact O-CG 3.23Å; L292-R296 PolarHBondContact O-N 2.69Å |
| 293 | N | 83.3 | Confident | 79.8 | Confident | 70 Ų | 70 | 108.8 Ų | 108.8 | 37% | 0.374 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -72.9 | -43.5 | 176.5 | -73.8 | -19.5 | 0 | 0 | 0 | 111.8 | V289 E290 P291 A295 R296 E297 | V289-N293 PolarHBondContact O-N 3.5Å; E290-N293 PolarHBondContact O-N 3.07Å; P291-N293 VanDerWaalsContact C-N 3.32Å; P291-N293 PolarHBondContact O-N 2.96Å; N293-A295 PolarHBondContact O-N 3.1Å; N293-R296 WeakPolarHBondContact O-CA 3.38Å; N293-R296 WeakPolarHBondContact O-CB 3.43Å; N293-R296 PolarHBondContact O-N 2.58Å; N293-E297 PolarHBondContact O-N 3.2Å |
| 294 | K | 81.9 | Confident | 80.9 | Confident | 120 Ų | 120 | 113.1 Ų | 113.1 | 52% | 0.522 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 176.7 | -67.4 | -175.7 | 179.1 | -177.3 | 0 | 112.4 | E290 P291 R296 E297 E298 | E290-K294 PolarHBondContact O-N 2.88Å; P291-K294 PolarHBondContact O-N 3.2Å; K294-R296 PolarHBondContact O-N 2.69Å; K294-E297 PolarHBondContact O-N 3.05Å; K294-E297 VanDerWaalsContact O-N 3.13Å; K294-E298 WeakPolarHBondContact O-CG 3.47Å; K294-E298 PolarHBondContact O-N 2.99Å |
| 295 | A | 82.6 | Confident | 81.9 | Confident | 53 Ų | 53 | 113.9 Ų | 113.9 | 44% | 0.438 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.4 | -22 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P291 N293 N299 | P291-A295 PolarHBondContact O-N 3.3Å; P291-A295 VanDerWaalsContact O-N 3.13Å; N293-A295 PolarHBondContact O-N 3.1Å; A295-N299 VanDerWaalsContact O-CB 3.32Å; A295-N299 WeakPolarHBondContact O-CB 3.47Å; A295-N299 PolarHBondContact O-N 2.98Å |
| 296 | R | 82.9 | Confident | 83 | Confident | 154 Ų | 154 | 114.3 Ų | 114.3 | 58% | 0.581 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -78.9 | -43 | 171.5 | -74.2 | 168.9 | 168.6 | -173.7 | -4.5 | 111.7 | L292 N293 K294 N299 T300 | L292-R296 WeakPolarHBondContact O-CG 3.23Å; L292-R296 PolarHBondContact O-N 2.69Å; N293-R296 WeakPolarHBondContact O-CA 3.38Å; N293-R296 WeakPolarHBondContact O-CB 3.43Å; N293-R296 PolarHBondContact O-N 2.58Å; K294-R296 PolarHBondContact O-N 2.69Å; R296-N299 WeakPolarHBondContact O-CB 3.04Å; R296-N299 PolarHBondContact O-N 3.45Å; R296-T300 PolarHBondContact O-N 2.98Å |
| 297 | E | 86.3 | Confident | 84.1 | Confident | 128 Ų | 128 | 107.2 Ų | 107.2 | 60% | 0.598 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.4 | -48.9 | 177.7 | -69.7 | 172 | 172.9 | 0 | 0 | 111.3 | N293 K294 N299 T300 E301 | N293-E297 PolarHBondContact O-N 3.2Å; K294-E297 PolarHBondContact O-N 3.05Å; K294-E297 VanDerWaalsContact O-N 3.13Å; E297-N299 VanDerWaalsContact C-N 3.3Å; E297-N299 PolarHBondContact O-N 3.05Å; E297-T300 PolarHBondContact O-N 3.3Å; E297-T300 PolarHBondContact O-OG1 2.74Å; E297-E301 PolarHBondContact O-N 2.78Å |
| 298 | E | 87.3 | Confident | 85.1 | Confident | 130 Ų | 130 | 102.9 Ų | 102.9 | 61% | 0.607 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -55.5 | -43.3 | 174.6 | -70.5 | 171.8 | -177.9 | 0 | 0 | 112 | K294 T300 E301 M302 | K294-E298 WeakPolarHBondContact O-CG 3.47Å; K294-E298 PolarHBondContact O-N 2.99Å; E298-T300 VanDerWaalsContact C-N 3.34Å; E298-T300 PolarHBondContact O-N 3.31Å; E298-E301 PolarHBondContact O-N 2.98Å; E298-M302 WeakPolarHBondContact O-CB 3.47Å; E298-M302 VanDerWaalsContact O-CG 3.24Å; E298-M302 WeakPolarHBondContact O-CG 3.39Å; E298-M302 PolarHBondContact O-N 3.31Å |
| 299 | N | 87.2 | Confident | 86 | Confident | 82 Ų | 82 | 105.3 Ų | 105.3 | 44% | 0.439 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65 | -34.9 | 176.9 | -170.9 | -28.8 | 0 | 0 | 0 | 112.2 | A295 R296 E297 K303 | A295-N299 VanDerWaalsContact O-CB 3.32Å; A295-N299 WeakPolarHBondContact O-CB 3.47Å; A295-N299 PolarHBondContact O-N 2.98Å; R296-N299 WeakPolarHBondContact O-CB 3.04Å; R296-N299 PolarHBondContact O-N 3.45Å; E297-N299 VanDerWaalsContact C-N 3.3Å; E297-N299 PolarHBondContact O-N 3.05Å; N299-K303 WeakPolarHBondContact O-CD 3.37Å; N299-K303 WeakPolarHBondContact O-CG 3.41Å; N299-K303 PolarHBondContact O-N 3.46Å; N299-K303 WeakPolarHBondContact OD1-CE 3.45Å; N299-K303 PolarHBondContact OD1-NZ 2.84Å |
| 300 | T | 89.5 | Confident | 86.8 | Confident | 90 Ų | 90 | 105.8 Ų | 105.8 | 55% | 0.552 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -70.5 | -41 | 174.7 | 55.7 | 0 | 0 | 0 | 0 | 113.2 | R296 E297 E298 K303 R304 | R296-T300 PolarHBondContact O-N 2.98Å; E297-T300 PolarHBondContact O-N 3.3Å; E297-T300 PolarHBondContact O-OG1 2.74Å; E298-T300 VanDerWaalsContact C-N 3.34Å; E298-T300 PolarHBondContact O-N 3.31Å; T300-K303 PolarHBondContact O-N 2.97Å; T300-R304 PolarHBondContact O-N 2.83Å; T300-R304 VanDerWaalsContact O-N 3.1Å |
| 301 | E | 89.1 | Confident | 87.6 | Confident | 71 Ų | 71 | 105.9 Ų | 105.9 | 33% | 0.332 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.9 | -37.8 | 178.1 | -179 | 53.7 | -145.7 | 0 | 0 | 111.5 | E297 E298 K303 R304 Q305 | E297-E301 PolarHBondContact O-N 2.78Å; E298-E301 PolarHBondContact O-N 2.98Å; E301-K303 VanDerWaalsContact C-N 3.32Å; E301-K303 PolarHBondContact O-N 2.96Å; E301-R304 WeakPolarHBondContact O-CB 3.46Å; E301-R304 PolarHBondContact O-N 3.47Å; E301-R304 VanDerWaalsContact O-N 3.09Å; E301-R304 WeakPolarHBondContact OE2-CD 3.38Å; E301-R304 IonicContact OE2-CZ 3.86Å; E301-R304 IonicContact OE2-NE 2.62Å; E301-R304 IonicContact OE2-NH1 2.95Å; E301-R304 PolarHBondContact OE2-NH1 3.27Å; E301-Q305 WeakPolarHBondContact O-CG 3.4Å; E301-Q305 PolarHBondContact O-N 2.94Å; E301-Q305 WeakPolarHBondContact OE1-CG 3.38Å; E301-Q305 PolarHBondContact OE1-NE2 3.23Å |
| 302 | M | 87.4 | Confident | 88.1 | Confident | 122 Ų | 122 | 107 Ų | 107 | 60% | 0.601 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.2 | -40.6 | 171.7 | -73 | -70.1 | 166 | 0 | 0 | 112.3 | E298 R304 Q305 M306 | E298-M302 WeakPolarHBondContact O-CB 3.47Å; E298-M302 VanDerWaalsContact O-CG 3.24Å; E298-M302 WeakPolarHBondContact O-CG 3.39Å; E298-M302 PolarHBondContact O-N 3.31Å; M302-R304 VanDerWaalsContact C-N 3.35Å; M302-R304 PolarHBondContact O-N 3.27Å; M302-Q305 PolarHBondContact O-N 2.89Å; M302-M306 WeakPolarHBondContact O-CG 3.49Å; M302-M306 PolarHBondContact O-N 3.31Å |
| 303 | K | 89 | Confident | 88.8 | Confident | 133 Ų | 133 | 107.2 Ų | 107.2 | 58% | 0.578 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.9 | -37.9 | 173.8 | -78.2 | 167.6 | 176.2 | 156.2 | 0 | 112.7 | N299 T300 E301 A307 | N299-K303 WeakPolarHBondContact O-CD 3.37Å; N299-K303 WeakPolarHBondContact O-CG 3.41Å; N299-K303 PolarHBondContact O-N 3.46Å; N299-K303 WeakPolarHBondContact OD1-CE 3.45Å; N299-K303 PolarHBondContact OD1-NZ 2.84Å; T300-K303 PolarHBondContact O-N 2.97Å; E301-K303 VanDerWaalsContact C-N 3.32Å; E301-K303 PolarHBondContact O-N 2.96Å; K303-A307 PolarHBondContact O-N 3.26Å |
| 304 | R | 91.2 | Very high | 89.3 | Confident | 156 Ų | 156 | 108 Ų | 108 | 59% | 0.589 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.9 | -43.7 | 175.6 | -171.2 | -165.2 | -171.8 | -177.2 | 1.2 | 111.8 | T300 E301 M302 A307 N308 | T300-R304 PolarHBondContact O-N 2.83Å; T300-R304 VanDerWaalsContact O-N 3.1Å; E301-R304 WeakPolarHBondContact O-CB 3.46Å; E301-R304 PolarHBondContact O-N 3.47Å; E301-R304 VanDerWaalsContact O-N 3.09Å; E301-R304 WeakPolarHBondContact OE2-CD 3.38Å; E301-R304 IonicContact OE2-CZ 3.86Å; E301-R304 IonicContact OE2-NE 2.62Å; E301-R304 IonicContact OE2-NH1 2.95Å; E301-R304 PolarHBondContact OE2-NH1 3.27Å; M302-R304 VanDerWaalsContact C-N 3.35Å; M302-R304 PolarHBondContact O-N 3.27Å; R304-A307 PolarHBondContact O-N 2.93Å; R304-N308 PolarHBondContact O-N 3.05Å |
| 305 | Q | 90.5 | Very high | 89.9 | Confident | 98 Ų | 98 | 105.4 Ų | 105.4 | 46% | 0.458 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 178.1 | -68.4 | 177 | 17 | 0 | 0 | 111.8 | E301 M302 A307 N308 Y309 | E301-Q305 WeakPolarHBondContact O-CG 3.4Å; E301-Q305 PolarHBondContact O-N 2.94Å; E301-Q305 WeakPolarHBondContact OE1-CG 3.38Å; E301-Q305 PolarHBondContact OE1-NE2 3.23Å; M302-Q305 PolarHBondContact O-N 2.89Å; Q305-A307 VanDerWaalsContact C-N 3.33Å; Q305-A307 PolarHBondContact O-N 3.05Å; Q305-N308 PolarHBondContact O-N 3.27Å; Q305-Y309 WeakPolarHBondContact O-CB 3.41Å; Q305-Y309 PolarHBondContact O-N 2.95Å |
| 306 | M | 88.7 | Confident | 90.5 | Very high | 127 Ų | 127 | 107.1 Ų | 107.1 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.4 | -39.6 | 172.3 | -73.5 | -62.8 | -61.4 | 0 | 0 | 112.9 | M302 Y309 E310 | M302-M306 WeakPolarHBondContact O-CG 3.49Å; M302-M306 PolarHBondContact O-N 3.31Å; M306-Y309 PolarHBondContact O-N 2.88Å; M306-E310 PolarHBondContact O-N 3.5Å; M306-E310 VanDerWaalsContact O-N 3.11Å |
| 307 | A | 91.8 | Very high | 91 | Very high | 63 Ų | 63 | 107.2 Ų | 107.2 | 52% | 0.521 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.6 | -39.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K303 R304 Q305 K311 | K303-A307 PolarHBondContact O-N 3.26Å; R304-A307 PolarHBondContact O-N 2.93Å; Q305-A307 VanDerWaalsContact C-N 3.33Å; Q305-A307 PolarHBondContact O-N 3.05Å; A307-K311 PolarHBondContact O-N 2.93Å |
| 308 | N | 91.7 | Very high | 91.4 | Very high | 82 Ų | 82 | 106.7 Ų | 106.7 | 44% | 0.439 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.3 | -46.7 | 172.9 | -72 | -17.8 | 0 | 0 | 0 | 111.4 | R304 Q305 E310 K311 D312 | R304-N308 PolarHBondContact O-N 3.05Å; Q305-N308 PolarHBondContact O-N 3.27Å; N308-E310 PolarHBondContact O-N 3.43Å; N308-K311 WeakPolarHBondContact O-CB 3.32Å; N308-K311 PolarHBondContact O-N 3.02Å; N308-K311 VanDerWaalsContact O-N 3.12Å; N308-D312 PolarHBondContact O-N 3.43Å |
| 309 | Y | 92 | Very high | 91.8 | Very high | 151 Ų | 151 | 103.8 Ų | 103.8 | 59% | 0.592 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58.4 | -44.1 | -179.8 | -178.6 | -93.8 | 0 | 0 | 0 | 112.8 | Q305 M306 K311 D312 K313 | Q305-Y309 WeakPolarHBondContact O-CB 3.41Å; Q305-Y309 PolarHBondContact O-N 2.95Å; M306-Y309 PolarHBondContact O-N 2.88Å; Y309-K311 VanDerWaalsContact C-N 3.34Å; Y309-K311 PolarHBondContact O-N 3.38Å; Y309-D312 PolarHBondContact O-N 3.04Å; Y309-K313 HydrophobicContact CE1-CD 4.16Å; Y309-K313 VanDerWaalsContact O-CB 3.23Å; Y309-K313 WeakPolarHBondContact O-CB 3.21Å; Y309-K313 PolarHBondContact O-N 3.48Å |
| 310 | E | 92.8 | Very high | 92.1 | Very high | 84 Ų | 84 | 106.1 Ų | 106.1 | 39% | 0.393 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.5 | -33.3 | 178.1 | -163.9 | 62.4 | -148.1 | 0 | 0 | 111.9 | M306 N308 K313 I314 | M306-E310 PolarHBondContact O-N 3.5Å; M306-E310 VanDerWaalsContact O-N 3.11Å; N308-E310 PolarHBondContact O-N 3.43Å; E310-K313 WeakPolarHBondContact OE1-CE 3.32Å; E310-K313 IonicContact OE1-NZ 2.58Å; E310-K313 PolarHBondContact OE1-NZ 2.93Å; E310-K313 WeakPolarHBondContact OE2-CD 3.46Å; E310-K313 IonicContact OE2-NZ 3.85Å; E310-K313 PolarHBondContact OE2-NZ 3.41Å; E310-I314 VanDerWaalsContact O-CG1 3.31Å; E310-I314 WeakPolarHBondContact O-CG1 3.43Å; E310-I314 PolarHBondContact O-N 3.36Å; E310-I314 VanDerWaalsContact O-N 3.07Å |
| 311 | K | 93.4 | Very high | 92.4 | Very high | 136 Ų | 136 | 106 Ų | 106 | 59% | 0.591 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.8 | -48.4 | 171.9 | -176.7 | -172.3 | 176.2 | -171.1 | 0 | 111.6 | A307 N308 Y309 K313 I314 V315 | A307-K311 PolarHBondContact O-N 2.93Å; N308-K311 WeakPolarHBondContact O-CB 3.32Å; N308-K311 PolarHBondContact O-N 3.02Å; N308-K311 VanDerWaalsContact O-N 3.12Å; Y309-K311 VanDerWaalsContact C-N 3.34Å; Y309-K311 PolarHBondContact O-N 3.38Å; K311-K313 VanDerWaalsContact C-N 3.29Å; K311-K313 PolarHBondContact O-N 3Å; K311-I314 WeakPolarHBondContact O-CB 3.39Å; K311-I314 PolarHBondContact O-N 2.96Å; K311-I314 VanDerWaalsContact O-N 3.12Å; K311-V315 WeakPolarHBondContact O-CG2 3.4Å; K311-V315 PolarHBondContact O-N 3.44Å |
| 312 | D | 92.7 | Very high | 92.7 | Very high | 100 Ų | 100 | 108.4 Ų | 108.4 | 54% | 0.535 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.9 | -36 | -179.5 | -66.6 | -21.7 | 0 | 0 | 0 | 111.5 | N308 Y309 V315 L316 | N308-D312 PolarHBondContact O-N 3.43Å; Y309-D312 PolarHBondContact O-N 3.04Å; D312-V315 PolarHBondContact O-N 3.13Å; D312-L316 VanDerWaalsContact O-CB 3.29Å; D312-L316 WeakPolarHBondContact O-CB 3.49Å; D312-L316 PolarHBondContact O-N 3.44Å |
| 313 | K | 93.8 | Very high | 93 | Very high | 101 Ų | 101 | 107.4 Ų | 107.4 | 44% | 0.439 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.4 | -36.1 | 172.2 | 177.8 | 179.9 | 166.6 | -139.5 | 0 | 112.9 | Y309 E310 K311 K317 | Y309-K313 HydrophobicContact CE1-CD 4.16Å; Y309-K313 VanDerWaalsContact O-CB 3.23Å; Y309-K313 WeakPolarHBondContact O-CB 3.21Å; Y309-K313 PolarHBondContact O-N 3.48Å; E310-K313 WeakPolarHBondContact OE1-CE 3.32Å; E310-K313 IonicContact OE1-NZ 2.58Å; E310-K313 PolarHBondContact OE1-NZ 2.93Å; E310-K313 WeakPolarHBondContact OE2-CD 3.46Å; E310-K313 IonicContact OE2-NZ 3.85Å; E310-K313 PolarHBondContact OE2-NZ 3.41Å; K311-K313 VanDerWaalsContact C-N 3.29Å; K311-K313 PolarHBondContact O-N 3Å; K313-K317 PolarHBondContact O-N 2.93Å; K313-K317 VanDerWaalsContact O-N 3.14Å |
| 314 | I | 94.1 | Very high | 93.3 | Very high | 87 Ų | 87 | 107.5 Ų | 107.5 | 45% | 0.446 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.6 | -47 | 171.6 | -69.6 | 163.1 | 0 | 0 | 0 | 110.7 | E310 K311 L316 K317 Q318 | E310-I314 VanDerWaalsContact O-CG1 3.31Å; E310-I314 WeakPolarHBondContact O-CG1 3.43Å; E310-I314 PolarHBondContact O-N 3.36Å; E310-I314 VanDerWaalsContact O-N 3.07Å; K311-I314 WeakPolarHBondContact O-CB 3.39Å; K311-I314 PolarHBondContact O-N 2.96Å; K311-I314 VanDerWaalsContact O-N 3.12Å; I314-L316 PolarHBondContact O-N 3.32Å; I314-K317 WeakPolarHBondContact O-CB 3.37Å; I314-K317 PolarHBondContact O-N 2.83Å; I314-K317 VanDerWaalsContact O-N 3.14Å; I314-Q318 WeakPolarHBondContact O-CG 3.49Å; I314-Q318 PolarHBondContact O-N 3.2Å |
| 315 | V | 94.4 | Very high | 93.5 | Very high | 65 Ų | 65 | 103 Ų | 103 | 39% | 0.394 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.8 | -44 | 177.5 | 174.8 | 0 | 0 | 0 | 0 | 111 | K311 D312 K317 Q318 T319 | K311-V315 WeakPolarHBondContact O-CG2 3.4Å; K311-V315 PolarHBondContact O-N 3.44Å; D312-V315 PolarHBondContact O-N 3.13Å; V315-K317 VanDerWaalsContact C-N 3.27Å; V315-K317 PolarHBondContact O-N 3.34Å; V315-Q318 WeakPolarHBondContact O-CB 3.48Å; V315-Q318 PolarHBondContact O-N 3.26Å; V315-Q318 VanDerWaalsContact O-N 3.11Å; V315-T319 HydrophobicContact CG1-CG2 4.31Å; V315-T319 PolarHBondContact O-N 2.87Å; V315-T319 PolarHBondContact O-OG1 3.15Å |
| 316 | L | 93.9 | Very high | 93.7 | Very high | 90 Ų | 90 | 101.9 Ų | 101.9 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.8 | -32.4 | 176.1 | -177.6 | 61.5 | 0 | 0 | 0 | 112.8 | D312 I314 T319 K320 | D312-L316 VanDerWaalsContact O-CB 3.29Å; D312-L316 WeakPolarHBondContact O-CB 3.49Å; D312-L316 PolarHBondContact O-N 3.44Å; I314-L316 PolarHBondContact O-N 3.32Å; L316-T319 WeakPolarHBondContact CA-OG1 3.27Å; L316-T319 PolarHBondContact O-OG1 3.22Å; L316-K320 HydrophobicContact CD1-CD 4.39Å; L316-K320 HydrophobicContact CD1-CG 4.5Å; L316-K320 HydrophobicContact CG-CD 4.36Å; L316-K320 WeakPolarHBondContact O-CB 3.46Å; L316-K320 VanDerWaalsContact O-CG 3.24Å; L316-K320 WeakPolarHBondContact O-CG 3.43Å; L316-K320 PolarHBondContact O-N 2.86Å |
| 317 | K | 94.8 | Very high | 94 | Very high | 156 Ų | 156 | 100.4 Ų | 100.4 | 68% | 0.678 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.7 | -42.6 | 173.2 | -171.9 | -179.8 | 178.7 | -176.9 | 0 | 110.9 | K313 I314 V315 T321 | K313-K317 PolarHBondContact O-N 2.93Å; K313-K317 VanDerWaalsContact O-N 3.14Å; I314-K317 WeakPolarHBondContact O-CB 3.37Å; I314-K317 PolarHBondContact O-N 2.83Å; I314-K317 VanDerWaalsContact O-N 3.14Å; V315-K317 VanDerWaalsContact C-N 3.27Å; V315-K317 PolarHBondContact O-N 3.34Å; K317-T321 PolarHBondContact O-N 3.32Å; K317-T321 VanDerWaalsContact O-N 3.15Å; K317-T321 PolarHBondContact O-OG1 3.08Å |
| 318 | Q | 94.7 | Very high | 94.2 | Very high | 116 Ų | 116 | 104.1 Ų | 104.1 | 54% | 0.542 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -47.9 | 177.7 | -69.5 | 171.7 | -17 | 0 | 0 | 112 | I314 V315 K320 T321 L322 | I314-Q318 WeakPolarHBondContact O-CG 3.49Å; I314-Q318 PolarHBondContact O-N 3.2Å; V315-Q318 WeakPolarHBondContact O-CB 3.48Å; V315-Q318 PolarHBondContact O-N 3.26Å; V315-Q318 VanDerWaalsContact O-N 3.11Å; Q318-K320 PolarHBondContact O-N 3.34Å; Q318-T321 WeakPolarHBondContact O-CB 3.48Å; Q318-T321 PolarHBondContact O-N 2.98Å; Q318-T321 VanDerWaalsContact O-N 3.13Å; Q318-L322 WeakPolarHBondContact O-CG 3.34Å; Q318-L322 PolarHBondContact O-N 3.28Å |
| 319 | T | 94.2 | Very high | 94.4 | Very high | 69 Ų | 69 | 105.8 Ų | 105.8 | 42% | 0.423 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65 | -36.5 | 179.1 | 55.7 | 0 | 0 | 0 | 0 | 112.4 | V315 L316 T321 L322 L323 | V315-T319 HydrophobicContact CG1-CG2 4.31Å; V315-T319 PolarHBondContact O-N 2.87Å; V315-T319 PolarHBondContact O-OG1 3.15Å; L316-T319 WeakPolarHBondContact CA-OG1 3.27Å; L316-T319 PolarHBondContact O-OG1 3.22Å; T319-T321 VanDerWaalsContact C-N 3.34Å; T319-T321 PolarHBondContact O-N 2.95Å; T319-L322 PolarHBondContact O-N 3.14Å; T319-L323 WeakPolarHBondContact O-CB 3.48Å; T319-L323 PolarHBondContact O-N 2.86Å |
| 320 | K | 95.1 | Very high | 94.6 | Very high | 131 Ų | 131 | 104.5 Ų | 104.5 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.3 | -36.2 | 171.6 | -77.8 | 176.7 | 177.1 | 179.7 | 0 | 113.1 | L316 Q318 K324 | L316-K320 HydrophobicContact CD1-CD 4.39Å; L316-K320 HydrophobicContact CD1-CG 4.5Å; L316-K320 HydrophobicContact CG-CD 4.36Å; L316-K320 WeakPolarHBondContact O-CB 3.46Å; L316-K320 VanDerWaalsContact O-CG 3.24Å; L316-K320 WeakPolarHBondContact O-CG 3.43Å; L316-K320 PolarHBondContact O-N 2.86Å; Q318-K320 PolarHBondContact O-N 3.34Å; K320-K324 WeakPolarHBondContact O-CB 2.74Å; K320-K324 PolarHBondContact O-N 3.42Å; K320-K324 VanDerWaalsContact O-N 3.14Å |
| 321 | T | 94.9 | Very high | 94.8 | Very high | 88 Ų | 88 | 107.4 Ų | 107.4 | 54% | 0.54 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.5 | -45.3 | 172.9 | -67.3 | 0 | 0 | 0 | 0 | 111.5 | K317 Q318 T319 K324 T325 | K317-T321 PolarHBondContact O-N 3.32Å; K317-T321 VanDerWaalsContact O-N 3.15Å; K317-T321 PolarHBondContact O-OG1 3.08Å; Q318-T321 WeakPolarHBondContact O-CB 3.48Å; Q318-T321 PolarHBondContact O-N 2.98Å; Q318-T321 VanDerWaalsContact O-N 3.13Å; T319-T321 VanDerWaalsContact C-N 3.34Å; T319-T321 PolarHBondContact O-N 2.95Å; T321-K324 PolarHBondContact O-N 3.15Å; T321-T325 PolarHBondContact O-N 3.04Å; T321-T325 VanDerWaalsContact O-N 3.08Å; T321-T325 PolarHBondContact O-OG1 3.22Å |
| 322 | L | 94.9 | Very high | 94.9 | Very high | 122 Ų | 122 | 106 Ų | 106 | 64% | 0.639 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.7 | -44.5 | 177.6 | -69 | 172.4 | 0 | 0 | 0 | 112.1 | Q318 T319 K324 T325 C326 | Q318-L322 WeakPolarHBondContact O-CG 3.34Å; Q318-L322 PolarHBondContact O-N 3.28Å; T319-L322 PolarHBondContact O-N 3.14Å; L322-K324 PolarHBondContact O-N 2.89Å; L322-T325 PolarHBondContact O-N 3.32Å; L322-T325 VanDerWaalsContact O-N 3.15Å; L322-C326 PolarHBondContact O-N 3.36Å |
| 323 | L | 94.3 | Very high | 95 | Very high | 100 Ų | 100 | 105.6 Ų | 105.6 | 52% | 0.524 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -56.8 | -48 | 174.4 | 178.5 | 62 | 0 | 0 | 0 | 111.2 | T319 T325 C326 E327 | T319-L323 WeakPolarHBondContact O-CB 3.48Å; T319-L323 PolarHBondContact O-N 2.86Å; L323-T325 PolarHBondContact O-N 2.96Å; L323-C326 PolarHBondContact O-N 3.02Å; L323-E327 HydrophobicContact CD1-CG 4.27Å; L323-E327 HydrophobicContact CG-CG 4.42Å; L323-E327 WeakPolarHBondContact O-CB 3.46Å; L323-E327 WeakPolarHBondContact O-CG 3.41Å; L323-E327 PolarHBondContact O-N 3.11Å |
| 324 | K | 95.7 | Very high | 95.1 | Very high | 136 Ų | 136 | 104.8 Ų | 104.8 | 59% | 0.591 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.5 | -22.6 | 179.1 | -171.4 | 171.1 | -176.1 | 174.4 | 0 | 113.8 | K320 T321 L322 K328 | K320-K324 WeakPolarHBondContact O-CB 2.74Å; K320-K324 PolarHBondContact O-N 3.42Å; K320-K324 VanDerWaalsContact O-N 3.14Å; T321-K324 PolarHBondContact O-N 3.15Å; L322-K324 PolarHBondContact O-N 2.89Å; K324-K328 WeakPolarHBondContact O-CG 3.39Å |
| 325 | T | 95.9 | Very high | 95.2 | Very high | 62 Ų | 62 | 107.5 Ų | 107.5 | 38% | 0.38 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -78.3 | -50.1 | 170.3 | -61.9 | 0 | 0 | 0 | 0 | 110.6 | T321 L322 L323 E327 K328 E329 | T321-T325 PolarHBondContact O-N 3.04Å; T321-T325 VanDerWaalsContact O-N 3.08Å; T321-T325 PolarHBondContact O-OG1 3.22Å; L322-T325 PolarHBondContact O-N 3.32Å; L322-T325 VanDerWaalsContact O-N 3.15Å; L323-T325 PolarHBondContact O-N 2.96Å; T325-E327 VanDerWaalsContact C-N 3.31Å; T325-E327 PolarHBondContact O-N 2.74Å; T325-K328 WeakPolarHBondContact O-CA 3.46Å; T325-K328 WeakPolarHBondContact O-CB 3.28Å; T325-K328 PolarHBondContact O-N 3.14Å; T325-E329 HydrophobicContact CG2-CG 4.43Å; T325-E329 WeakPolarHBondContact CG2-OE1 3.4Å; T325-E329 PolarHBondContact O-N 3.03Å |
| 326 | C | 94.7 | Very high | 95.3 | Very high | 73 Ų | 73 | 109.4 Ų | 109.4 | 49% | 0.493 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -57.5 | -40.1 | 177.2 | -177.1 | 0 | 0 | 0 | 0 | 112.5 | L322 L323 K328 E329 K330 | L322-C326 PolarHBondContact O-N 3.36Å; L323-C326 PolarHBondContact O-N 3.02Å; C326-K328 VanDerWaalsContact C-N 3.29Å; C326-K328 PolarHBondContact O-N 3.5Å; C326-E329 PolarHBondContact O-N 3.33Å; C326-K330 VanDerWaalsContact O-CB 3.27Å; C326-K330 WeakPolarHBondContact O-CB 3.5Å; C326-K330 PolarHBondContact O-N 3.14Å |
| 327 | E | 95.1 | Very high | 95.4 | Very high | 96 Ų | 96 | 111.8 Ų | 111.8 | 45% | 0.449 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.5 | -33.8 | 173.5 | -76.6 | 176.2 | 170.3 | 0 | 0 | 113.5 | L323 T325 K331 | L323-E327 HydrophobicContact CD1-CG 4.27Å; L323-E327 HydrophobicContact CG-CG 4.42Å; L323-E327 WeakPolarHBondContact O-CB 3.46Å; L323-E327 WeakPolarHBondContact O-CG 3.41Å; L323-E327 PolarHBondContact O-N 3.11Å; T325-E327 VanDerWaalsContact C-N 3.31Å; T325-E327 PolarHBondContact O-N 2.74Å; E327-K331 WeakPolarHBondContact O-CG 3.34Å; E327-K331 PolarHBondContact O-N 3Å |
| 328 | K | 95.8 | Very high | 95.4 | Very high | 142 Ų | 142 | 108.2 Ų | 108.2 | 62% | 0.617 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -75.6 | -44 | 175.5 | -72.3 | 174.4 | 172.4 | -169.4 | 0 | 111.4 | K324 T325 C326 K330 K331 H332 | K324-K328 WeakPolarHBondContact O-CG 3.39Å; T325-K328 WeakPolarHBondContact O-CA 3.46Å; T325-K328 WeakPolarHBondContact O-CB 3.28Å; T325-K328 PolarHBondContact O-N 3.14Å; C326-K328 VanDerWaalsContact C-N 3.29Å; C326-K328 PolarHBondContact O-N 3.5Å; K328-K330 VanDerWaalsContact C-N 3.33Å; K328-K331 PolarHBondContact O-N 3.46Å; K328-H332 VanDerWaalsContact O-CB 3.32Å; K328-H332 WeakPolarHBondContact O-CB 3.5Å; K328-H332 PolarHBondContact O-N 3.19Å |
| 329 | E | 95.7 | Very high | 95.5 | Very high | 117 Ų | 117 | 105.3 Ų | 105.3 | 55% | 0.547 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 178.9 | -70.7 | 168.4 | 168.6 | 0 | 0 | 111.1 | T325 C326 H332 T333 | T325-E329 HydrophobicContact CG2-CG 4.43Å; T325-E329 WeakPolarHBondContact CG2-OE1 3.4Å; T325-E329 PolarHBondContact O-N 3.03Å; C326-E329 PolarHBondContact O-N 3.33Å; E329-H332 PolarHBondContact O-N 3.14Å; E329-T333 WeakPolarHBondContact O-CB 3.42Å; E329-T333 PolarHBondContact O-N 3.3Å; E329-T333 PolarHBondContact O-OG1 2.7Å |
| 330 | K | 95.7 | Very high | 95.6 | Very high | 123 Ų | 123 | 107.3 Ų | 107.3 | 54% | 0.535 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -56.2 | -58.3 | 169.5 | 177.6 | 176.8 | 167.1 | 174.5 | 0 | 110.9 | C326 K328 H332 T333 E334 | C326-K330 VanDerWaalsContact O-CB 3.27Å; C326-K330 WeakPolarHBondContact O-CB 3.5Å; C326-K330 PolarHBondContact O-N 3.14Å; K328-K330 VanDerWaalsContact C-N 3.33Å; K330-H332 VanDerWaalsContact C-N 3.27Å; K330-H332 PolarHBondContact O-N 3.22Å; K330-T333 CarbonylContact O-C 3.56Å; K330-T333 WeakPolarHBondContact O-CA 3.44Å; K330-T333 WeakPolarHBondContact O-CB 3.49Å; K330-T333 PolarHBondContact O-N 3.48Å; K330-E334 WeakPolarHBondContact CE-OE1 3.5Å; K330-E334 WeakPolarHBondContact CE-OE2 3.45Å; K330-E334 HydrophobicContact CG-CG 4.33Å; K330-E334 IonicContact NZ-OE1 2.87Å; K330-E334 PolarHBondContact NZ-OE1 3.31Å; K330-E334 WeakPolarHBondContact O-CG 3.32Å; K330-E334 PolarHBondContact O-N 2.88Å |
| 331 | K | 96.2 | Very high | 95.6 | Very high | 146 Ų | 146 | 104.2 Ų | 104.2 | 64% | 0.635 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.5 | -34.3 | -178.5 | -74.4 | 177.4 | 179.5 | -176.1 | 0 | 113.6 | E327 K328 E334 W335 | E327-K331 WeakPolarHBondContact O-CG 3.34Å; E327-K331 PolarHBondContact O-N 3Å; K328-K331 PolarHBondContact O-N 3.46Å; K331-E334 WeakPolarHBondContact CA-OE2 3.35Å; K331-W335 WeakPolarHBondContact O-CB 3.36Å; K331-W335 PolarHBondContact O-N 3.12Å |
| 332 | H | 95.9 | Very high | 95.6 | Very high | 107 Ų | 107 | 106.6 Ų | 106.6 | 50% | 0.495 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.9 | -32.3 | 175.1 | -176.1 | 56 | 0 | 0 | 0 | 112.5 | K328 E329 K330 W335 K336 | K328-H332 VanDerWaalsContact O-CB 3.32Å; K328-H332 WeakPolarHBondContact O-CB 3.5Å; K328-H332 PolarHBondContact O-N 3.19Å; E329-H332 PolarHBondContact O-N 3.14Å; K330-H332 VanDerWaalsContact C-N 3.27Å; K330-H332 PolarHBondContact O-N 3.22Å; H332-W335 AromaticContact CE1-CE3 3.63Å; H332-W335 AromaticContact NE2-CZ3 3.88Å; H332-K336 WeakPolarHBondContact O-CB 3.29Å; H332-K336 WeakPolarHBondContact O-CG 3.29Å; H332-K336 PolarHBondContact O-N 3.37Å |
| 333 | T | 95 | Very high | 95.6 | Very high | 91 Ų | 91 | 105.7 Ų | 105.7 | 56% | 0.558 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -73.9 | -43 | 174 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | E329 K330 K336 Y337 | E329-T333 WeakPolarHBondContact O-CB 3.42Å; E329-T333 PolarHBondContact O-N 3.3Å; E329-T333 PolarHBondContact O-OG1 2.7Å; K330-T333 CarbonylContact O-C 3.56Å; K330-T333 WeakPolarHBondContact O-CA 3.44Å; K330-T333 WeakPolarHBondContact O-CB 3.49Å; K330-T333 PolarHBondContact O-N 3.48Å; T333-K336 PolarHBondContact O-N 3.5Å; T333-Y337 WeakPolarHBondContact O-CB 3.37Å; T333-Y337 PolarHBondContact O-N 2.88Å |
| 334 | E | 95.6 | Very high | 95.7 | Very high | 84 Ų | 84 | 106.9 Ų | 106.9 | 39% | 0.393 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -56.8 | -52.3 | 173.5 | -70.6 | 171 | 138.7 | 0 | 0 | 110.6 | K330 K331 K336 Y337 D338 | K330-E334 WeakPolarHBondContact CE-OE1 3.5Å; K330-E334 WeakPolarHBondContact CE-OE2 3.45Å; K330-E334 HydrophobicContact CG-CG 4.33Å; K330-E334 IonicContact NZ-OE1 2.87Å; K330-E334 PolarHBondContact NZ-OE1 3.31Å; K330-E334 WeakPolarHBondContact O-CG 3.32Å; K330-E334 PolarHBondContact O-N 2.88Å; K331-E334 WeakPolarHBondContact CA-OE2 3.35Å; E334-K336 VanDerWaalsContact C-N 3.31Å; E334-K336 PolarHBondContact O-N 3.15Å; E334-Y337 WeakPolarHBondContact O-CA 3.48Å; E334-Y337 WeakPolarHBondContact O-CB 3.24Å; E334-Y337 PolarHBondContact O-N 3.46Å; E334-D338 VanDerWaalsContact O-CG 3.31Å; E334-D338 PolarHBondContact O-N 2.91Å |
| 335 | W | 97 | Very high | 95.7 | Very high | 143 Ų | 143 | 106.1 Ų | 106.1 | 54% | 0.542 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.6 | -34.9 | 177.5 | 178.5 | 75.7 | 0 | 0 | 0 | 114.1 | K331 H332 I339 | K331-W335 WeakPolarHBondContact O-CB 3.36Å; K331-W335 PolarHBondContact O-N 3.12Å; H332-W335 AromaticContact CE1-CE3 3.63Å; H332-W335 AromaticContact NE2-CZ3 3.88Å; W335-I339 HydrophobicContact CD2-CD1 3.88Å; W335-I339 VanDerWaalsContact CE2-CD1 3.44Å; W335-I339 HydrophobicContact CE3-CD1 4.18Å; W335-I339 HydrophobicContact CH2-CD1 3.74Å; W335-I339 HydrophobicContact CZ2-CD1 3.39Å; W335-I339 HydrophobicContact CZ3-CD1 4.11Å; W335-I339 WeakPolarHBondContact O-CG1 3.29Å; W335-I339 PolarHBondContact O-N 2.96Å |
| 336 | K | 96 | Very high | 95.6 | Very high | 105 Ų | 105 | 108.7 Ų | 108.7 | 46% | 0.457 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.8 | -39.4 | 173.2 | -85.6 | 172 | 164.5 | 167.2 | 0 | 112.3 | H332 T333 E334 I339 L340 | H332-K336 WeakPolarHBondContact O-CB 3.29Å; H332-K336 WeakPolarHBondContact O-CG 3.29Å; H332-K336 PolarHBondContact O-N 3.37Å; T333-K336 PolarHBondContact O-N 3.5Å; E334-K336 VanDerWaalsContact C-N 3.31Å; E334-K336 PolarHBondContact O-N 3.15Å; K336-I339 PolarHBondContact O-N 3.45Å; K336-L340 WeakPolarHBondContact O-CB 3.41Å; K336-L340 WeakPolarHBondContact O-CG 3.31Å; K336-L340 PolarHBondContact O-N 3.45Å |
| 337 | Y | 96.3 | Very high | 95.7 | Very high | 140 Ų | 140 | 110.2 Ų | 110.2 | 55% | 0.549 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 176.6 | 173.3 | -85.8 | 0 | 0 | 0 | 110.5 | T333 E334 I339 L340 E341 | T333-Y337 WeakPolarHBondContact O-CB 3.37Å; T333-Y337 PolarHBondContact O-N 2.88Å; E334-Y337 WeakPolarHBondContact O-CA 3.48Å; E334-Y337 WeakPolarHBondContact O-CB 3.24Å; E334-Y337 PolarHBondContact O-N 3.46Å; Y337-I339 VanDerWaalsContact C-N 3.3Å; Y337-I339 PolarHBondContact O-N 2.93Å; Y337-L340 PolarHBondContact O-N 2.87Å; Y337-L340 VanDerWaalsContact O-N 3.12Å; Y337-E341 HydrophobicContact CE1-CB 4.43Å; Y337-E341 WeakPolarHBondContact CE1-OE2 3.48Å; Y337-E341 PolarHBondContact O-N 3.44Å; Y337-E341 PolarHBondContact OH-OE2 3.2Å |
| 338 | D | 95.4 | Very high | 95.7 | Very high | 82 Ų | 82 | 108.9 Ų | 108.9 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -56.7 | -42.4 | 177.9 | -62.2 | -22.9 | 0 | 0 | 0 | 112.3 | E334 Q342 | E334-D338 VanDerWaalsContact O-CG 3.31Å; E334-D338 PolarHBondContact O-N 2.91Å; D338-Q342 VanDerWaalsContact O-CG 3.31Å; D338-Q342 WeakPolarHBondContact O-CG 3.37Å; D338-Q342 PolarHBondContact O-N 3.47Å |
| 339 | I | 95.9 | Very high | 95.7 | Very high | 55 Ų | 55 | 105.1 Ų | 105.1 | 28% | 0.282 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.8 | -44 | 176.9 | -72.4 | 172.1 | 0 | 0 | 0 | 111.5 | W335 K336 Y337 E341 Q342 Q343 | W335-I339 HydrophobicContact CD2-CD1 3.88Å; W335-I339 VanDerWaalsContact CE2-CD1 3.44Å; W335-I339 HydrophobicContact CE3-CD1 4.18Å; W335-I339 HydrophobicContact CH2-CD1 3.74Å; W335-I339 HydrophobicContact CZ2-CD1 3.39Å; W335-I339 HydrophobicContact CZ3-CD1 4.11Å; W335-I339 WeakPolarHBondContact O-CG1 3.29Å; W335-I339 PolarHBondContact O-N 2.96Å; K336-I339 PolarHBondContact O-N 3.45Å; Y337-I339 VanDerWaalsContact C-N 3.3Å; Y337-I339 PolarHBondContact O-N 2.93Å; I339-E341 VanDerWaalsContact C-N 3.35Å; I339-Q342 PolarHBondContact O-N 3Å; I339-Q343 HydrophobicContact CG2-CG 4.49Å; I339-Q343 WeakPolarHBondContact O-CB 3.48Å; I339-Q343 WeakPolarHBondContact O-CG 3.19Å; I339-Q343 PolarHBondContact O-N 3.13Å |
| 340 | L | 95.7 | Very high | 95.8 | Very high | 110 Ų | 110 | 104.3 Ų | 104.3 | 58% | 0.576 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.1 | -36.9 | 178.2 | -75.3 | 167.2 | 0 | 0 | 0 | 111.8 | K336 Y337 Q343 F344 | K336-L340 WeakPolarHBondContact O-CB 3.41Å; K336-L340 WeakPolarHBondContact O-CG 3.31Å; K336-L340 PolarHBondContact O-N 3.45Å; Y337-L340 PolarHBondContact O-N 2.87Å; Y337-L340 VanDerWaalsContact O-N 3.12Å; L340-Q343 PolarHBondContact O-N 3.23Å; L340-F344 VanDerWaalsContact O-CB 3.29Å; L340-F344 WeakPolarHBondContact O-CB 3.5Å; L340-F344 PolarHBondContact O-N 3.4Å |
| 341 | E | 96 | Very high | 95.8 | Very high | 66 Ų | 66 | 104.6 Ų | 104.6 | 31% | 0.308 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.9 | -40 | 175.5 | -167.3 | -179.5 | 137.7 | 0 | 0 | 111.5 | Y337 I339 F344 K345 | Y337-E341 HydrophobicContact CE1-CB 4.43Å; Y337-E341 WeakPolarHBondContact CE1-OE2 3.48Å; Y337-E341 PolarHBondContact O-N 3.44Å; Y337-E341 PolarHBondContact OH-OE2 3.2Å; I339-E341 VanDerWaalsContact C-N 3.35Å; E341-F344 PolarHBondContact O-N 2.97Å; E341-K345 HydrophobicContact CG-CD 4.42Å; E341-K345 VanDerWaalsContact O-CG 3.32Å; E341-K345 WeakPolarHBondContact O-CG 3.29Å; E341-K345 PolarHBondContact O-N 3.11Å; E341-K345 VanDerWaalsContact OE1-CE 3.23Å; E341-K345 WeakPolarHBondContact OE1-CE 3.44Å; E341-K345 IonicContact OE1-NZ 3.43Å; E341-K345 PolarHBondContact OE1-NZ 3.42Å |
| 342 | Q | 94.6 | Very high | 95.8 | Very high | 138 Ų | 138 | 101.3 Ų | 101.3 | 65% | 0.645 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.1 | -44.1 | 173.6 | -72.4 | 174.6 | 27.1 | 0 | 0 | 112.2 | D338 I339 K345 H346 | D338-Q342 VanDerWaalsContact O-CG 3.31Å; D338-Q342 WeakPolarHBondContact O-CG 3.37Å; D338-Q342 PolarHBondContact O-N 3.47Å; I339-Q342 PolarHBondContact O-N 3Å; Q342-K345 PolarHBondContact O-N 2.81Å; Q342-H346 PolarHBondContact O-N 2.69Å |
| 343 | Q | 95.3 | Very high | 95.8 | Very high | 103 Ų | 103 | 99.5 Ų | 99.5 | 48% | 0.481 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 175.7 | -74.4 | 177.4 | -8.3 | 0 | 0 | 111.8 | I339 L340 H346 I347 | I339-Q343 HydrophobicContact CG2-CG 4.49Å; I339-Q343 WeakPolarHBondContact O-CB 3.48Å; I339-Q343 WeakPolarHBondContact O-CG 3.19Å; I339-Q343 PolarHBondContact O-N 3.13Å; L340-Q343 PolarHBondContact O-N 3.23Å; Q343-H346 PolarHBondContact O-N 3.12Å; Q343-I347 WeakPolarHBondContact O-CG1 3.24Å; Q343-I347 PolarHBondContact O-N 3.07Å |
| 344 | F | 95.7 | Very high | 95.8 | Very high | 126 Ų | 126 | 101 Ų | 101 | 55% | 0.553 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60.7 | -48.2 | 176.4 | -177.9 | -89.6 | 0 | 0 | 0 | 111.7 | L340 E341 H346 I347 E348 | L340-F344 VanDerWaalsContact O-CB 3.29Å; L340-F344 WeakPolarHBondContact O-CB 3.5Å; L340-F344 PolarHBondContact O-N 3.4Å; E341-F344 PolarHBondContact O-N 2.97Å; F344-H346 VanDerWaalsContact C-N 3.3Å; F344-H346 PolarHBondContact O-N 3.38Å; F344-I347 PolarHBondContact O-N 3.48Å; F344-E348 WeakPolarHBondContact CE1-OE2 3.41Å; F344-E348 WeakPolarHBondContact O-CB 3.45Å; F344-E348 PolarHBondContact O-N 3.1Å |
| 345 | K | 95.8 | Very high | 95.8 | Very high | 119 Ų | 119 | 104.6 Ų | 104.6 | 52% | 0.517 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.8 | -37.4 | 177.2 | -73.5 | 171.7 | -176.6 | 172.9 | 0 | 112.6 | E341 Q342 S349 | E341-K345 HydrophobicContact CG-CD 4.42Å; E341-K345 VanDerWaalsContact O-CG 3.32Å; E341-K345 WeakPolarHBondContact O-CG 3.29Å; E341-K345 PolarHBondContact O-N 3.11Å; E341-K345 VanDerWaalsContact OE1-CE 3.23Å; E341-K345 WeakPolarHBondContact OE1-CE 3.44Å; E341-K345 IonicContact OE1-NZ 3.43Å; E341-K345 PolarHBondContact OE1-NZ 3.42Å; Q342-K345 PolarHBondContact O-N 2.81Å; K345-S349 PolarHBondContact O-N 2.67Å |
| 346 | H | 94.9 | Very high | 95.7 | Very high | 116 Ų | 116 | 103.8 Ų | 103.8 | 54% | 0.537 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.1 | -48.9 | 175.9 | -175.2 | 21 | 0 | 0 | 0 | 111.8 | Q342 Q343 F344 E348 S349 E350 | Q342-H346 PolarHBondContact O-N 2.69Å; Q343-H346 PolarHBondContact O-N 3.12Å; F344-H346 VanDerWaalsContact C-N 3.3Å; F344-H346 PolarHBondContact O-N 3.38Å; H346-E348 VanDerWaalsContact C-N 3.31Å; H346-E348 PolarHBondContact O-N 3.49Å; H346-S349 WeakPolarHBondContact O-CB 3.08Å; H346-S349 PolarHBondContact O-N 2.95Å; H346-S349 VanDerWaalsContact O-N 3.14Å; H346-E350 IonicContact CE1-OE1 2.95Å; H346-E350 PolarHBondContact O-N 3.29Å |
| 347 | I | 96.2 | Very high | 95.6 | Very high | 106 Ų | 106 | 104.3 Ų | 104.3 | 54% | 0.544 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.7 | -36.7 | 178.2 | -67.5 | 165.6 | 0 | 0 | 0 | 111.2 | Q343 F344 E350 R351 | Q343-I347 WeakPolarHBondContact O-CG1 3.24Å; Q343-I347 PolarHBondContact O-N 3.07Å; F344-I347 PolarHBondContact O-N 3.48Å; I347-E350 PolarHBondContact O-N 2.61Å; I347-R351 WeakPolarHBondContact O-CB 3.33Å; I347-R351 PolarHBondContact O-N 3.09Å |
| 348 | E | 96.2 | Very high | 95.5 | Very high | 68 Ų | 68 | 103.5 Ų | 103.5 | 32% | 0.318 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 173.2 | 175.9 | 142.7 | -113 | 0 | 0 | 112 | F344 H346 R351 N352 | F344-E348 WeakPolarHBondContact CE1-OE2 3.41Å; F344-E348 WeakPolarHBondContact O-CB 3.45Å; F344-E348 PolarHBondContact O-N 3.1Å; H346-E348 VanDerWaalsContact C-N 3.31Å; H346-E348 PolarHBondContact O-N 3.49Å; E348-R351 PolarHBondContact O-N 3.39Å; E348-R351 IonicContact OE1-CZ 2.69Å; E348-R351 IonicContact OE1-NH1 3.21Å; E348-R351 PolarHBondContact OE1-NH1 3.39Å; E348-R351 IonicContact OE1-NH2 2.67Å; E348-R351 PolarHBondContact OE1-NH2 3.04Å; E348-N352 PolarHBondContact O-N 2.93Å; E348-N352 VanDerWaalsContact O-N 3.08Å; E348-N352 PolarHBondContact O-ND2 3.47Å; E348-N352 PolarHBondContact O-OD1 3.16Å |
| 349 | S | 95.6 | Very high | 95.4 | Very high | 63 Ų | 63 | 101.8 Ų | 101.8 | 44% | 0.441 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.2 | -49 | 171.7 | -160.9 | 0 | 0 | 0 | 0 | 111.4 | K345 H346 R351 N352 D353 | K345-S349 PolarHBondContact O-N 2.67Å; H346-S349 WeakPolarHBondContact O-CB 3.08Å; H346-S349 PolarHBondContact O-N 2.95Å; H346-S349 VanDerWaalsContact O-N 3.14Å; S349-R351 VanDerWaalsContact C-N 3.3Å; S349-R351 PolarHBondContact O-N 3.27Å; S349-N352 PolarHBondContact O-N 2.88Å; S349-N352 VanDerWaalsContact O-N 3.11Å; S349-D353 WeakPolarHBondContact O-CB 3.32Å; S349-D353 PolarHBondContact O-N 3.29Å |
| 350 | E | 96.2 | Very high | 95.4 | Very high | 100 Ų | 100 | 103.6 Ų | 103.6 | 47% | 0.467 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.2 | -40 | 178.8 | -69.6 | -169.3 | 131.9 | 0 | 0 | 112.5 | H346 I347 D353 L354 | H346-E350 IonicContact CE1-OE1 2.95Å; H346-E350 PolarHBondContact O-N 3.29Å; I347-E350 PolarHBondContact O-N 2.61Å; E350-D353 WeakPolarHBondContact O-CB 3.39Å; E350-L354 WeakPolarHBondContact O-CB 3.41Å; E350-L354 WeakPolarHBondContact O-CG 3.44Å; E350-L354 PolarHBondContact O-N 2.92Å |
| 351 | R | 97.4 | Very high | 95.3 | Very high | 128 Ų | 128 | 100.6 Ų | 100.6 | 48% | 0.483 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 174.2 | -176.8 | -159.7 | 71.7 | -151 | 0.2 | 111.6 | I347 E348 S349 L354 Y355 | I347-R351 WeakPolarHBondContact O-CB 3.33Å; I347-R351 PolarHBondContact O-N 3.09Å; E348-R351 PolarHBondContact O-N 3.39Å; E348-R351 IonicContact OE1-CZ 2.69Å; E348-R351 IonicContact OE1-NH1 3.21Å; E348-R351 PolarHBondContact OE1-NH1 3.39Å; E348-R351 IonicContact OE1-NH2 2.67Å; E348-R351 PolarHBondContact OE1-NH2 3.04Å; S349-R351 VanDerWaalsContact C-N 3.3Å; S349-R351 PolarHBondContact O-N 3.27Å; R351-L354 PolarHBondContact O-N 3.31Å; R351-Y355 WeakPolarHBondContact O-CB 3.34Å; R351-Y355 PolarHBondContact O-N 2.97Å |
| 352 | N | 95.6 | Very high | 95.1 | Very high | 78 Ų | 78 | 100.8 Ų | 100.8 | 42% | 0.417 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.8 | -45.8 | -179.1 | -64.2 | -17.2 | 0 | 0 | 0 | 110.7 | E348 S349 L354 Y355 E356 | E348-N352 PolarHBondContact O-N 2.93Å; E348-N352 VanDerWaalsContact O-N 3.08Å; E348-N352 PolarHBondContact O-ND2 3.47Å; E348-N352 PolarHBondContact O-OD1 3.16Å; S349-N352 PolarHBondContact O-N 2.88Å; S349-N352 VanDerWaalsContact O-N 3.11Å; N352-L354 VanDerWaalsContact C-N 3.33Å; N352-L354 PolarHBondContact O-N 3.47Å; N352-Y355 PolarHBondContact O-N 3.44Å; N352-Y355 VanDerWaalsContact O-N 3.15Å; N352-E356 PolarHBondContact O-N 3.33Å |
| 353 | D | 95.3 | Very high | 95.1 | Very high | 68 Ų | 68 | 99.4 Ų | 99.4 | 36% | 0.364 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -52.6 | -46.9 | 172 | -102.7 | 68.8 | 0 | 0 | 0 | 112.4 | S349 E350 K357 | S349-D353 WeakPolarHBondContact O-CB 3.32Å; S349-D353 PolarHBondContact O-N 3.29Å; E350-D353 WeakPolarHBondContact O-CB 3.39Å; D353-K357 WeakPolarHBondContact O-CB 3.33Å; D353-K357 WeakPolarHBondContact O-CD 3.23Å; D353-K357 WeakPolarHBondContact O-CE 3.4Å; D353-K357 WeakPolarHBondContact O-CG 3.5Å; D353-K357 PolarHBondContact O-N 2.97Å; D353-K357 VanDerWaalsContact O-N 3.09Å; D353-K357 WeakPolarHBondContact OD2-CE 3.34Å; D353-K357 IonicContact OD2-NZ 3.68Å; D353-K357 PolarHBondContact OD2-NZ 2.93Å |
| 354 | L | 95.1 | Very high | 95 | Very high | 122 Ų | 122 | 99.1 Ų | 99.1 | 64% | 0.639 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66.1 | -39.7 | 178 | -86.5 | 160.9 | 0 | 0 | 0 | 112.1 | E350 R351 N352 F358 | E350-L354 WeakPolarHBondContact O-CB 3.41Å; E350-L354 WeakPolarHBondContact O-CG 3.44Å; E350-L354 PolarHBondContact O-N 2.92Å; R351-L354 PolarHBondContact O-N 3.31Å; N352-L354 VanDerWaalsContact C-N 3.33Å; N352-L354 PolarHBondContact O-N 3.47Å; L354-F358 VanDerWaalsContact O-CB 3.28Å; L354-F358 WeakPolarHBondContact O-CB 3.27Å; L354-F358 PolarHBondContact O-N 3.37Å |
| 355 | Y | 94.8 | Very high | 94.9 | Very high | 160 Ų | 160 | 97.3 Ų | 97.3 | 63% | 0.627 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -67 | -43.3 | 178.4 | -171.3 | -95.7 | 0 | 0 | 0 | 111.9 | R351 N352 F358 V359 | R351-Y355 WeakPolarHBondContact O-CB 3.34Å; R351-Y355 PolarHBondContact O-N 2.97Å; N352-Y355 PolarHBondContact O-N 3.44Å; N352-Y355 VanDerWaalsContact O-N 3.15Å; Y355-F358 WeakPolarHBondContact O-CB 3.3Å; Y355-F358 PolarHBondContact O-N 2.9Å; Y355-V359 HydrophobicContact CD1-CG2 4.23Å; Y355-V359 HydrophobicContact CE1-CG2 3.89Å; Y355-V359 WeakPolarHBondContact O-CG2 3.25Å; Y355-V359 PolarHBondContact O-N 2.87Å |
| 356 | E | 95.2 | Very high | 94.7 | Very high | 126 Ų | 126 | 97.9 Ų | 97.9 | 59% | 0.589 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.6 | -47.1 | 175.4 | -174 | 174.7 | -165.5 | 0 | 0 | 111.4 | N352 F358 V359 L360 | N352-E356 PolarHBondContact O-N 3.33Å; E356-F358 VanDerWaalsContact C-N 3.28Å; E356-F358 PolarHBondContact O-N 3.06Å; E356-V359 PolarHBondContact O-N 3.06Å; E356-L360 HydrophobicContact CG-CD1 4.13Å; E356-L360 WeakPolarHBondContact O-CG 3.48Å; E356-L360 PolarHBondContact O-N 3.01Å |
| 357 | K | 95 | Very high | 94.5 | Very high | 116 Ų | 116 | 98.4 Ų | 98.4 | 50% | 0.504 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.3 | -36.5 | 176.4 | -69.6 | 160.8 | -159.8 | 165 | 0 | 112.3 | D353 A361 | D353-K357 WeakPolarHBondContact O-CB 3.33Å; D353-K357 WeakPolarHBondContact O-CD 3.23Å; D353-K357 WeakPolarHBondContact O-CE 3.4Å; D353-K357 WeakPolarHBondContact O-CG 3.5Å; D353-K357 PolarHBondContact O-N 2.97Å; D353-K357 VanDerWaalsContact O-N 3.09Å; D353-K357 WeakPolarHBondContact OD2-CE 3.34Å; D353-K357 IonicContact OD2-NZ 3.68Å; D353-K357 PolarHBondContact OD2-NZ 2.93Å; K357-A361 WeakPolarHBondContact O-CB 3.31Å; K357-A361 PolarHBondContact O-N 3.32Å |
| 358 | F | 93 | Very high | 94.3 | Very high | 123 Ų | 123 | 99 Ų | 99 | 54% | 0.539 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.6 | -44.6 | 174.4 | 173.3 | -104.7 | 0 | 0 | 0 | 112.5 | L354 Y355 E356 A361 I362 | L354-F358 VanDerWaalsContact O-CB 3.28Å; L354-F358 WeakPolarHBondContact O-CB 3.27Å; L354-F358 PolarHBondContact O-N 3.37Å; Y355-F358 WeakPolarHBondContact O-CB 3.3Å; Y355-F358 PolarHBondContact O-N 2.9Å; E356-F358 VanDerWaalsContact C-N 3.28Å; E356-F358 PolarHBondContact O-N 3.06Å; F358-A361 PolarHBondContact O-N 2.8Å; F358-I362 HydrophobicContact CD1-CD1 4.09Å; F358-I362 HydrophobicContact CD2-CD1 4.4Å; F358-I362 HydrophobicContact CE1-CD1 3.55Å; F358-I362 HydrophobicContact CE2-CD1 3.9Å; F358-I362 HydrophobicContact CG-CD1 4.5Å; F358-I362 HydrophobicContact CZ-CD1 3.45Å; F358-I362 VanDerWaalsContact CZ-CD1 3.45Å; F358-I362 WeakPolarHBondContact O-CG1 3.43Å; F358-I362 PolarHBondContact O-N 2.93Å |
| 359 | V | 94.9 | Very high | 94.1 | Very high | 46 Ų | 46 | 99 Ų | 99 | 28% | 0.279 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 175.9 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | Y355 E356 A361 I362 Q363 | Y355-V359 HydrophobicContact CD1-CG2 4.23Å; Y355-V359 HydrophobicContact CE1-CG2 3.89Å; Y355-V359 WeakPolarHBondContact O-CG2 3.25Å; Y355-V359 PolarHBondContact O-N 2.87Å; E356-V359 PolarHBondContact O-N 3.06Å; V359-A361 PolarHBondContact O-N 3.43Å; V359-I362 PolarHBondContact O-N 3.43Å; V359-Q363 WeakPolarHBondContact O-CG 3.45Å; V359-Q363 PolarHBondContact O-N 3.03Å |
| 360 | L | 94.7 | Very high | 93.9 | Very high | 93 Ų | 93 | 97.4 Ų | 97.4 | 49% | 0.487 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 176.4 | -70.3 | 170.5 | 0 | 0 | 0 | 112 | E356 I362 Q363 E364 | E356-L360 HydrophobicContact CG-CD1 4.13Å; E356-L360 WeakPolarHBondContact O-CG 3.48Å; E356-L360 PolarHBondContact O-N 3.01Å; L360-I362 PolarHBondContact O-N 2.88Å; L360-Q363 PolarHBondContact O-N 3.01Å; L360-E364 PolarHBondContact O-N 3.45Å |
| 361 | A | 92.8 | Very high | 93.7 | Very high | 48 Ų | 48 | 97.9 Ų | 97.9 | 40% | 0.397 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.3 | -38.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K357 F358 V359 V365 | K357-A361 WeakPolarHBondContact O-CB 3.31Å; K357-A361 PolarHBondContact O-N 3.32Å; F358-A361 PolarHBondContact O-N 2.8Å; V359-A361 PolarHBondContact O-N 3.43Å; A361-V365 VanDerWaalsContact O-CG2 3.32Å; A361-V365 WeakPolarHBondContact O-CG2 3.25Å; A361-V365 PolarHBondContact O-N 3.32Å |
| 362 | I | 92.9 | Very high | 93.6 | Very high | 69 Ų | 69 | 98.3 Ų | 98.3 | 35% | 0.354 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -46.6 | 173.2 | -74.8 | 174.7 | 0 | 0 | 0 | 110.8 | F358 V359 L360 E364 V365 Q366 | F358-I362 HydrophobicContact CD1-CD1 4.09Å; F358-I362 HydrophobicContact CD2-CD1 4.4Å; F358-I362 HydrophobicContact CE1-CD1 3.55Å; F358-I362 HydrophobicContact CE2-CD1 3.9Å; F358-I362 HydrophobicContact CG-CD1 4.5Å; F358-I362 HydrophobicContact CZ-CD1 3.45Å; F358-I362 VanDerWaalsContact CZ-CD1 3.45Å; F358-I362 WeakPolarHBondContact O-CG1 3.43Å; F358-I362 PolarHBondContact O-N 2.93Å; V359-I362 PolarHBondContact O-N 3.43Å; L360-I362 PolarHBondContact O-N 2.88Å; I362-E364 PolarHBondContact O-N 2.68Å; I362-V365 PolarHBondContact O-N 2.95Å; I362-Q366 HydrophobicContact CG2-CG 4.29Å; I362-Q366 WeakPolarHBondContact O-CB 3.48Å; I362-Q366 WeakPolarHBondContact O-CG 3.34Å; I362-Q366 PolarHBondContact O-N 2.69Å |
| 363 | Q | 94.4 | Very high | 93.5 | Very high | 109 Ų | 109 | 98.6 Ų | 98.6 | 51% | 0.509 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 179 | -71.2 | 174.8 | 4.4 | 0 | 0 | 111.8 | V359 L360 Q366 Q367 | V359-Q363 WeakPolarHBondContact O-CG 3.45Å; V359-Q363 PolarHBondContact O-N 3.03Å; L360-Q363 PolarHBondContact O-N 3.01Å; Q363-Q366 PolarHBondContact O-N 2.93Å; Q363-Q367 VanDerWaalsContact O-CB 3.31Å; Q363-Q367 WeakPolarHBondContact O-CB 3.18Å; Q363-Q367 PolarHBondContact O-N 3.36Å |
| 364 | E | 93.2 | Very high | 93.5 | Very high | 98 Ų | 98 | 99.3 Ų | 99.3 | 46% | 0.458 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 177 | -164.1 | -166 | -179.3 | 0 | 0 | 112 | L360 I362 Q367 K368 | L360-E364 PolarHBondContact O-N 3.45Å; I362-E364 PolarHBondContact O-N 2.68Å; E364-Q367 PolarHBondContact O-N 3.39Å; E364-K368 VanDerWaalsContact CD-NZ 3.25Å; E364-K368 HydrophobicContact CG-CD 4.31Å; E364-K368 WeakPolarHBondContact O-CB 3.48Å; E364-K368 VanDerWaalsContact O-CG 3.32Å; E364-K368 WeakPolarHBondContact O-CG 3.46Å; E364-K368 PolarHBondContact O-N 3.39Å; E364-K368 WeakPolarHBondContact OE1-CE 3.11Å; E364-K368 IonicContact OE1-NZ 2.82Å; E364-K368 PolarHBondContact OE1-NZ 2.89Å; E364-K368 IonicContact OE2-NZ 3.72Å |
| 365 | V | 93.9 | Very high | 93.4 | Very high | 88 Ų | 88 | 99.5 Ų | 99.5 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 175.6 | 170.2 | 0 | 0 | 0 | 0 | 111 | A361 I362 Q367 K368 C369 | A361-V365 VanDerWaalsContact O-CG2 3.32Å; A361-V365 WeakPolarHBondContact O-CG2 3.25Å; A361-V365 PolarHBondContact O-N 3.32Å; I362-V365 PolarHBondContact O-N 2.95Å; V365-Q367 PolarHBondContact O-N 3.03Å; V365-K368 PolarHBondContact O-N 3.3Å; V365-C369 WeakPolarHBondContact O-CB 3.36Å; V365-C369 PolarHBondContact O-N 3.47Å; V365-C369 PolarHBondContact O-SG 3.23Å; V365-C369 VanDerWaalsContact O-SG 3.36Å |
| 366 | Q | 90.5 | Very high | 93.4 | Very high | 130 Ų | 130 | 96.3 Ų | 96.3 | 61% | 0.607 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.6 | -43.3 | 175.4 | -75.9 | 179.7 | -8.4 | 0 | 0 | 111.7 | I362 Q363 C369 G370 | I362-Q366 HydrophobicContact CG2-CG 4.29Å; I362-Q366 WeakPolarHBondContact O-CB 3.48Å; I362-Q366 WeakPolarHBondContact O-CG 3.34Å; I362-Q366 PolarHBondContact O-N 2.69Å; Q363-Q366 PolarHBondContact O-N 2.93Å; Q366-C369 PolarHBondContact O-N 3.04Å; Q366-G370 PolarHBondContact O-N 3.27Å |
| 367 | Q | 92.6 | Very high | 93.4 | Very high | 128 Ų | 128 | 95.9 Ų | 95.9 | 60% | 0.598 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.1 | -46.8 | 176.6 | -170.9 | -172.4 | 51.7 | 0 | 0 | 111.5 | Q363 E364 V365 C369 G370 L371 | Q363-Q367 VanDerWaalsContact O-CB 3.31Å; Q363-Q367 WeakPolarHBondContact O-CB 3.18Å; Q363-Q367 PolarHBondContact O-N 3.36Å; E364-Q367 PolarHBondContact O-N 3.39Å; V365-Q367 PolarHBondContact O-N 3.03Å; Q367-C369 PolarHBondContact O-N 2.99Å; Q367-G370 PolarHBondContact O-N 2.87Å; Q367-L371 HydrophobicContact CG-CD1 4.14Å; Q367-L371 WeakPolarHBondContact O-CB 3.5Å; Q367-L371 VanDerWaalsContact O-CG 3.31Å; Q367-L371 WeakPolarHBondContact O-CG 3.44Å; Q367-L371 PolarHBondContact O-N 3.26Å |
| 368 | K | 92 | Very high | 93.4 | Very high | 119 Ų | 119 | 97.4 Ų | 97.4 | 52% | 0.517 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.4 | -40.2 | 177.4 | -75.3 | 172.3 | -179.4 | 171.3 | 0 | 112.3 | E364 V365 K372 | E364-K368 VanDerWaalsContact CD-NZ 3.25Å; E364-K368 HydrophobicContact CG-CD 4.31Å; E364-K368 WeakPolarHBondContact O-CB 3.48Å; E364-K368 VanDerWaalsContact O-CG 3.32Å; E364-K368 WeakPolarHBondContact O-CG 3.46Å; E364-K368 PolarHBondContact O-N 3.39Å; E364-K368 WeakPolarHBondContact OE1-CE 3.11Å; E364-K368 IonicContact OE1-NZ 2.82Å; E364-K368 PolarHBondContact OE1-NZ 2.89Å; E364-K368 IonicContact OE2-NZ 3.72Å; V365-K368 PolarHBondContact O-N 3.3Å; K368-K372 WeakPolarHBondContact O-CB 3.3Å; K368-K372 PolarHBondContact O-N 3.12Å |
| 369 | C | 91.4 | Very high | 93.5 | Very high | 68 Ų | 68 | 99.8 Ų | 99.8 | 46% | 0.459 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.9 | -44.6 | 174.1 | -72.5 | 0 | 0 | 0 | 0 | 112 | V365 Q366 Q367 K372 N373 | V365-C369 WeakPolarHBondContact O-CB 3.36Å; V365-C369 PolarHBondContact O-N 3.47Å; V365-C369 PolarHBondContact O-SG 3.23Å; V365-C369 VanDerWaalsContact O-SG 3.36Å; Q366-C369 PolarHBondContact O-N 3.04Å; Q367-C369 PolarHBondContact O-N 2.99Å; C369-K372 WeakPolarHBondContact O-CB 3.36Å; C369-K372 PolarHBondContact O-N 2.98Å; C369-N373 VanDerWaalsContact O-CG 3.31Å; C369-N373 PolarHBondContact O-N 2.84Å; C369-N373 PolarHBondContact O-OD1 2.7Å |
| 370 | G | 91.1 | Very high | 93.5 | Very high | 28 Ų | 28 | 102.9 Ų | 102.9 | 29% | 0.289 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.5 | -47.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q366 Q367 K372 N373 I374 | Q366-G370 PolarHBondContact O-N 3.27Å; Q367-G370 PolarHBondContact O-N 2.87Å; G370-K372 VanDerWaalsContact C-N 3.3Å; G370-K372 PolarHBondContact O-N 3.42Å; G370-N373 PolarHBondContact O-N 3.18Å; G370-I374 VanDerWaalsContact O-CG1 3.31Å; G370-I374 WeakPolarHBondContact O-CG1 3.49Å; G370-I374 PolarHBondContact O-N 3.35Å |
| 371 | L | 93 | Very high | 93.6 | Very high | 110 Ų | 110 | 102.1 Ų | 102.1 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.5 | -39.9 | 174.8 | -72.3 | 170.6 | 0 | 0 | 0 | 112.2 | Q367 L375 | Q367-L371 HydrophobicContact CG-CD1 4.14Å; Q367-L371 WeakPolarHBondContact O-CB 3.5Å; Q367-L371 VanDerWaalsContact O-CG 3.31Å; Q367-L371 WeakPolarHBondContact O-CG 3.44Å; Q367-L371 PolarHBondContact O-N 3.26Å; L371-L375 WeakPolarHBondContact O-CB 3.35Å; L371-L375 PolarHBondContact O-N 2.99Å; L371-L375 VanDerWaalsContact O-N 3.08Å |
| 372 | K | 94.1 | Very high | 93.7 | Very high | 137 Ų | 137 | 102.2 Ų | 102.2 | 60% | 0.596 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.2 | -41.1 | 175.3 | -173 | -175.7 | 177.2 | -171.6 | 0 | 111.9 | K368 C369 G370 L375 L376 | K368-K372 WeakPolarHBondContact O-CB 3.3Å; K368-K372 PolarHBondContact O-N 3.12Å; C369-K372 WeakPolarHBondContact O-CB 3.36Å; C369-K372 PolarHBondContact O-N 2.98Å; G370-K372 VanDerWaalsContact C-N 3.3Å; G370-K372 PolarHBondContact O-N 3.42Å; K372-L375 PolarHBondContact O-N 2.69Å; K372-L376 HydrophobicContact CG-CD1 4.24Å; K372-L376 VanDerWaalsContact O-CG 3.32Å; K372-L376 WeakPolarHBondContact O-CG 3.35Å; K372-L376 PolarHBondContact O-N 2.67Å |
| 373 | N | 94 | Very high | 93.9 | Very high | 85 Ų | 85 | 103.3 Ų | 103.3 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.2 | -49 | 177.7 | -70.6 | 1.6 | 0 | 0 | 0 | 111 | C369 G370 L375 L376 E377 | C369-N373 VanDerWaalsContact O-CG 3.31Å; C369-N373 PolarHBondContact O-N 2.84Å; C369-N373 PolarHBondContact O-OD1 2.7Å; G370-N373 PolarHBondContact O-N 3.18Å; N373-L375 PolarHBondContact O-N 3.43Å; N373-L376 CarbonylContact O-C 3.59Å; N373-L376 WeakPolarHBondContact O-CA 3.44Å; N373-L376 WeakPolarHBondContact O-CB 3.24Å; N373-L376 PolarHBondContact O-N 3.2Å; N373-E377 WeakPolarHBondContact O-CG 3.4Å; N373-E377 PolarHBondContact O-N 3.02Å |
| 374 | I | 94.6 | Very high | 94 | Very high | 83 Ų | 83 | 100.9 Ų | 100.9 | 43% | 0.426 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.9 | -37.5 | 176.6 | -66.8 | 163.1 | 0 | 0 | 0 | 111.5 | G370 K378 | G370-I374 VanDerWaalsContact O-CG1 3.31Å; G370-I374 WeakPolarHBondContact O-CG1 3.49Å; G370-I374 PolarHBondContact O-N 3.35Å; I374-K378 HydrophobicContact CG2-CD 4.4Å; I374-K378 WeakPolarHBondContact O-CB 3.5Å; I374-K378 WeakPolarHBondContact O-CG 3.34Å; I374-K378 PolarHBondContact O-N 2.98Å |
| 375 | L | 93.6 | Very high | 94.1 | Very high | 125 Ų | 125 | 100.1 Ų | 100.1 | 65% | 0.654 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.4 | -37.9 | 175.4 | -177.4 | 63.6 | 0 | 0 | 0 | 112.5 | L371 K372 N373 R379 | L371-L375 WeakPolarHBondContact O-CB 3.35Å; L371-L375 PolarHBondContact O-N 2.99Å; L371-L375 VanDerWaalsContact O-N 3.08Å; K372-L375 PolarHBondContact O-N 2.69Å; N373-L375 PolarHBondContact O-N 3.43Å; L375-R379 WeakPolarHBondContact O-CB 3.47Å; L375-R379 PolarHBondContact O-N 3.37Å; L375-R379 VanDerWaalsContact O-N 3.07Å |
| 376 | L | 94.7 | Very high | 94.2 | Very high | 93 Ų | 93 | 99.6 Ų | 99.6 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.5 | -41.2 | 175.7 | -72.2 | 169.4 | 0 | 0 | 0 | 111.8 | K372 N373 R379 L380 | K372-L376 HydrophobicContact CG-CD1 4.24Å; K372-L376 VanDerWaalsContact O-CG 3.32Å; K372-L376 WeakPolarHBondContact O-CG 3.35Å; K372-L376 PolarHBondContact O-N 2.67Å; N373-L376 CarbonylContact O-C 3.59Å; N373-L376 WeakPolarHBondContact O-CA 3.44Å; N373-L376 WeakPolarHBondContact O-CB 3.24Å; N373-L376 PolarHBondContact O-N 3.2Å; L376-R379 PolarHBondContact O-N 3.4Å; L376-L380 WeakPolarHBondContact O-CB 3.35Å; L376-L380 PolarHBondContact O-N 3.13Å |
| 377 | E | 94.9 | Very high | 94.4 | Very high | 117 Ų | 117 | 97.9 Ų | 97.9 | 55% | 0.547 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.2 | -53.7 | 173.5 | -73.5 | 167 | -179.3 | 0 | 0 | 110.8 | N373 R379 L380 T381 | N373-E377 WeakPolarHBondContact O-CG 3.4Å; N373-E377 PolarHBondContact O-N 3.02Å; E377-R379 VanDerWaalsContact C-N 3.26Å; E377-R379 PolarHBondContact O-N 3.48Å; E377-L380 CarbonylContact O-C 3.48Å; E377-L380 WeakPolarHBondContact O-CA 3.19Å; E377-L380 WeakPolarHBondContact O-CB 3.27Å; E377-L380 PolarHBondContact O-N 2.69Å; E377-T381 PolarHBondContact O-N 3.48Å; E377-T381 PolarHBondContact O-OG1 3.39Å |
| 378 | K | 95.2 | Very high | 94.4 | Very high | 149 Ų | 149 | 97.1 Ų | 97.1 | 65% | 0.648 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.5 | -37.5 | 176.8 | -74.9 | -175.6 | 177.3 | -170.8 | 0 | 112.8 | I374 A382 | I374-K378 HydrophobicContact CG2-CD 4.4Å; I374-K378 WeakPolarHBondContact O-CB 3.5Å; I374-K378 WeakPolarHBondContact O-CG 3.34Å; I374-K378 PolarHBondContact O-N 2.98Å; K378-A382 WeakPolarHBondContact O-CB 3.49Å; K378-A382 PolarHBondContact O-N 2.92Å |
| 379 | R | 95.7 | Very high | 94.5 | Very high | 173 Ų | 173 | 96.8 Ų | 96.8 | 65% | 0.653 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.4 | -37.4 | 174.3 | -178.2 | 175.3 | 178.2 | 171.3 | 0.7 | 111.9 | L375 L376 E377 L383 | L375-R379 WeakPolarHBondContact O-CB 3.47Å; L375-R379 PolarHBondContact O-N 3.37Å; L375-R379 VanDerWaalsContact O-N 3.07Å; L376-R379 PolarHBondContact O-N 3.4Å; E377-R379 VanDerWaalsContact C-N 3.26Å; E377-R379 PolarHBondContact O-N 3.48Å; R379-L383 HydrophobicContact CG-CD1 4.11Å; R379-L383 WeakPolarHBondContact O-CB 3.42Å; R379-L383 VanDerWaalsContact O-CG 3.24Å; R379-L383 WeakPolarHBondContact O-CG 3.5Å; R379-L383 PolarHBondContact O-N 3.14Å; R379-L383 VanDerWaalsContact O-N 3.1Å |
| 380 | L | 95.2 | Very high | 94.6 | Very high | 111 Ų | 111 | 99.5 Ų | 99.5 | 58% | 0.581 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.4 | -50.6 | 176.3 | -167.6 | 157.4 | 0 | 0 | 0 | 110.1 | L376 E377 A382 L383 T384 | L376-L380 WeakPolarHBondContact O-CB 3.35Å; L376-L380 PolarHBondContact O-N 3.13Å; E377-L380 CarbonylContact O-C 3.48Å; E377-L380 WeakPolarHBondContact O-CA 3.19Å; E377-L380 WeakPolarHBondContact O-CB 3.27Å; E377-L380 PolarHBondContact O-N 2.69Å; L380-A382 PolarHBondContact O-N 2.92Å; L380-L383 PolarHBondContact O-N 3.45Å; L380-L383 VanDerWaalsContact O-N 3.09Å; L380-T384 PolarHBondContact O-N 2.85Å; L380-T384 PolarHBondContact O-OG1 3.5Å |
| 381 | T | 96 | Very high | 94.7 | Very high | 77 Ų | 77 | 104.1 Ų | 104.1 | 47% | 0.472 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -54.3 | -48.7 | 175.6 | -51.3 | 0 | 0 | 0 | 0 | 112 | E377 L383 T384 E385 | E377-T381 PolarHBondContact O-N 3.48Å; E377-T381 PolarHBondContact O-OG1 3.39Å; T381-L383 VanDerWaalsContact C-N 3.29Å; T381-L383 PolarHBondContact O-N 3.09Å; T381-T384 PolarHBondContact O-N 3.41Å; T381-T384 VanDerWaalsContact O-N 3.17Å; T381-E385 PolarHBondContact O-N 2.92Å |
| 382 | A | 95.6 | Very high | 94.6 | Very high | 49 Ų | 49 | 101.8 Ų | 101.8 | 41% | 0.405 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.5 | -31 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K378 L380 T386 | K378-A382 WeakPolarHBondContact O-CB 3.49Å; K378-A382 PolarHBondContact O-N 2.92Å; L380-A382 PolarHBondContact O-N 2.92Å; A382-T386 WeakPolarHBondContact O-CB 3.35Å; A382-T386 PolarHBondContact O-N 3.28Å; A382-T386 PolarHBondContact O-OG1 2.92Å |
| 383 | L | 95.6 | Very high | 94.4 | Very high | 93 Ų | 93 | 100 Ų | 100 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.7 | -41 | 172.3 | -73.5 | 170.1 | 0 | 0 | 0 | 111.7 | R379 L380 T381 T386 I387 | R379-L383 HydrophobicContact CG-CD1 4.11Å; R379-L383 WeakPolarHBondContact O-CB 3.42Å; R379-L383 VanDerWaalsContact O-CG 3.24Å; R379-L383 WeakPolarHBondContact O-CG 3.5Å; R379-L383 PolarHBondContact O-N 3.14Å; R379-L383 VanDerWaalsContact O-N 3.1Å; L380-L383 PolarHBondContact O-N 3.45Å; L380-L383 VanDerWaalsContact O-N 3.09Å; T381-L383 VanDerWaalsContact C-N 3.29Å; T381-L383 PolarHBondContact O-N 3.09Å; L383-T386 WeakPolarHBondContact O-CB 3.32Å; L383-T386 PolarHBondContact O-N 3.37Å; L383-T386 VanDerWaalsContact O-N 3.14Å; L383-I387 WeakPolarHBondContact O-CG1 2.77Å; L383-I387 PolarHBondContact O-N 2.64Å |
| 384 | T | 96.3 | Very high | 94.1 | Very high | 57 Ų | 57 | 101 Ų | 101 | 35% | 0.35 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.4 | -50.6 | 173.6 | -61.1 | 0 | 0 | 0 | 0 | 111.2 | L380 T381 T386 I387 E388 | L380-T384 PolarHBondContact O-N 2.85Å; L380-T384 PolarHBondContact O-OG1 3.5Å; T381-T384 PolarHBondContact O-N 3.41Å; T381-T384 VanDerWaalsContact O-N 3.17Å; T384-T386 PolarHBondContact O-N 2.87Å; T384-I387 WeakPolarHBondContact O-CA 3.26Å; T384-I387 WeakPolarHBondContact O-CB 3.42Å; T384-I387 PolarHBondContact O-N 3.31Å; T384-E388 HydrophobicContact CG2-CG 4.41Å; T384-E388 WeakPolarHBondContact O-CG 3.46Å; T384-E388 PolarHBondContact O-N 3.28Å |
| 385 | E | 95.5 | Very high | 93.7 | Very high | 82 Ų | 82 | 100.8 Ų | 100.8 | 38% | 0.383 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -55.7 | -35.7 | 173.5 | -79.9 | -172.9 | -125.3 | 0 | 0 | 112.6 | T381 K389 | T381-E385 PolarHBondContact O-N 2.92Å; E385-K389 WeakPolarHBondContact O-CB 3.27Å; E385-K389 WeakPolarHBondContact O-CD 3.41Å; E385-K389 WeakPolarHBondContact O-CG 3.48Å; E385-K389 PolarHBondContact O-N 3.45Å; E385-K389 IonicContact OE2-NZ 3.75Å; E385-K389 PolarHBondContact OE2-NZ 3.43Å |
| 386 | T | 96.5 | Very high | 93.4 | Very high | 77 Ų | 77 | 101.2 Ų | 101.2 | 47% | 0.472 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.9 | -35.6 | 178.6 | -60.2 | 0 | 0 | 0 | 0 | 111.3 | A382 L383 T384 K390 | A382-T386 WeakPolarHBondContact O-CB 3.35Å; A382-T386 PolarHBondContact O-N 3.28Å; A382-T386 PolarHBondContact O-OG1 2.92Å; L383-T386 WeakPolarHBondContact O-CB 3.32Å; L383-T386 PolarHBondContact O-N 3.37Å; L383-T386 VanDerWaalsContact O-N 3.14Å; T384-T386 PolarHBondContact O-N 2.87Å; T386-K390 WeakPolarHBondContact O-CB 3.44Å; T386-K390 WeakPolarHBondContact O-CG 3.24Å; T386-K390 PolarHBondContact O-N 3.46Å; T386-K390 VanDerWaalsContact O-N 3.17Å |
| 387 | I | 94.3 | Very high | 93 | Very high | 95 Ų | 95 | 101 Ų | 101 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.2 | -52.2 | 173.5 | -68.8 | 163.1 | 0 | 0 | 0 | 109.6 | L383 T384 K389 K390 E391 | L383-I387 WeakPolarHBondContact O-CG1 2.77Å; L383-I387 PolarHBondContact O-N 2.64Å; T384-I387 WeakPolarHBondContact O-CA 3.26Å; T384-I387 WeakPolarHBondContact O-CB 3.42Å; T384-I387 PolarHBondContact O-N 3.31Å; I387-K389 VanDerWaalsContact C-N 3.32Å; I387-K389 PolarHBondContact O-N 2.65Å; I387-K390 CarbonylContact O-C 3.6Å; I387-K390 WeakPolarHBondContact O-CA 3.37Å; I387-K390 WeakPolarHBondContact O-CB 3.36Å; I387-K390 PolarHBondContact O-N 3.3Å; I387-E391 HydrophobicContact CG2-CG 4.17Å; I387-E391 WeakPolarHBondContact O-CG 3.33Å; I387-E391 PolarHBondContact O-N 3.46Å |
| 388 | E | 94.3 | Very high | 92.4 | Very high | 111 Ų | 111 | 99.2 Ų | 99.2 | 52% | 0.519 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -54.1 | -46.6 | 178.4 | -69.4 | 168.8 | 170.9 | 0 | 0 | 111.9 | T384 K390 E391 A392 | T384-E388 HydrophobicContact CG2-CG 4.41Å; T384-E388 WeakPolarHBondContact O-CG 3.46Å; T384-E388 PolarHBondContact O-N 3.28Å; E388-K390 VanDerWaalsContact C-N 3.26Å; E388-K390 PolarHBondContact O-N 3.27Å; E388-E391 PolarHBondContact O-N 3.45Å; E388-A392 WeakPolarHBondContact O-CB 3.32Å; E388-A392 PolarHBondContact O-N 3.13Å |
| 389 | K | 94 | Very high | 91.8 | Very high | 112 Ų | 112 | 96.1 Ų | 96.1 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.7 | -28.8 | 176.5 | -70 | 163.1 | -160.5 | 167.8 | 0 | 112.5 | E385 I387 Q393 | E385-K389 WeakPolarHBondContact O-CB 3.27Å; E385-K389 WeakPolarHBondContact O-CD 3.41Å; E385-K389 WeakPolarHBondContact O-CG 3.48Å; E385-K389 PolarHBondContact O-N 3.45Å; E385-K389 IonicContact OE2-NZ 3.75Å; E385-K389 PolarHBondContact OE2-NZ 3.43Å; I387-K389 VanDerWaalsContact C-N 3.32Å; I387-K389 PolarHBondContact O-N 2.65Å; K389-Q393 WeakPolarHBondContact O-CB 3.28Å; K389-Q393 VanDerWaalsContact O-CG 3.22Å; K389-Q393 WeakPolarHBondContact O-CG 3.32Å; K389-Q393 PolarHBondContact O-N 2.77Å |
| 390 | K | 93.6 | Very high | 91.4 | Very high | 125 Ų | 125 | 91.4 Ų | 91.4 | 54% | 0.543 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -82.2 | -35.7 | 176.6 | -74.7 | -72.7 | 159.6 | -155.7 | 0 | 113 | T386 I387 E388 L394 | T386-K390 WeakPolarHBondContact O-CB 3.44Å; T386-K390 WeakPolarHBondContact O-CG 3.24Å; T386-K390 PolarHBondContact O-N 3.46Å; T386-K390 VanDerWaalsContact O-N 3.17Å; I387-K390 CarbonylContact O-C 3.6Å; I387-K390 WeakPolarHBondContact O-CA 3.37Å; I387-K390 WeakPolarHBondContact O-CB 3.36Å; I387-K390 PolarHBondContact O-N 3.3Å; E388-K390 VanDerWaalsContact C-N 3.26Å; E388-K390 PolarHBondContact O-N 3.27Å; K390-L394 VanDerWaalsContact O-CB 3.3Å; K390-L394 WeakPolarHBondContact O-CB 3.47Å; K390-L394 PolarHBondContact O-N 3.03Å |
| 391 | E | 91.5 | Very high | 90.7 | Very high | 126 Ų | 126 | 88.7 Ų | 88.7 | 59% | 0.589 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67 | -41.8 | 173 | -70.2 | -179.7 | 159.4 | 0 | 0 | 111.1 | I387 E388 L394 S395 | I387-E391 HydrophobicContact CG2-CG 4.17Å; I387-E391 WeakPolarHBondContact O-CG 3.33Å; I387-E391 PolarHBondContact O-N 3.46Å; E388-E391 PolarHBondContact O-N 3.45Å; E391-L394 PolarHBondContact O-N 3.37Å; E391-S395 WeakPolarHBondContact O-CB 3.48Å; E391-S395 PolarHBondContact O-N 2.98Å |
| 392 | A | 90.7 | Very high | 89.8 | Confident | 61 Ų | 61 | 92.3 Ų | 92.3 | 50% | 0.504 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.3 | -50 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E388 L394 S395 E396 | E388-A392 WeakPolarHBondContact O-CB 3.32Å; E388-A392 PolarHBondContact O-N 3.13Å; A392-L394 VanDerWaalsContact C-N 3.32Å; A392-L394 PolarHBondContact O-N 3.03Å; A392-S395 PolarHBondContact O-N 2.91Å; A392-E396 PolarHBondContact O-N 2.97Å |
| 393 | Q | 91.6 | Very high | 89 | Confident | 98 Ų | 98 | 94.3 Ų | 94.3 | 46% | 0.458 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.2 | -39 | 175.8 | -77 | 174.9 | -5.7 | 0 | 0 | 112.6 | K389 V397 | K389-Q393 WeakPolarHBondContact O-CB 3.28Å; K389-Q393 VanDerWaalsContact O-CG 3.22Å; K389-Q393 WeakPolarHBondContact O-CG 3.32Å; K389-Q393 PolarHBondContact O-N 2.77Å; Q393-V397 WeakPolarHBondContact O-CG2 3.31Å; Q393-V397 PolarHBondContact O-N 2.93Å; Q393-V397 VanDerWaalsContact O-N 3.09Å |
| 394 | L | 86.9 | Confident | 88.4 | Confident | 107 Ų | 107 | 93.5 Ų | 93.5 | 56% | 0.56 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.6 | -42.9 | 176.4 | -174.6 | 66 | 0 | 0 | 0 | 111.3 | K390 E391 A392 E396 V397 L398 | K390-L394 VanDerWaalsContact O-CB 3.3Å; K390-L394 WeakPolarHBondContact O-CB 3.47Å; K390-L394 PolarHBondContact O-N 3.03Å; E391-L394 PolarHBondContact O-N 3.37Å; A392-L394 VanDerWaalsContact C-N 3.32Å; A392-L394 PolarHBondContact O-N 3.03Å; L394-E396 PolarHBondContact O-N 2.97Å; L394-V397 PolarHBondContact O-N 3.3Å; L394-L398 HydrophobicContact CD1-CD1 4.49Å; L394-L398 HydrophobicContact CG-CD1 4Å; L394-L398 HydrophobicContact CG-CG 4.49Å; L394-L398 WeakPolarHBondContact O-CB 3.44Å; L394-L398 WeakPolarHBondContact O-CG 3.27Å; L394-L398 PolarHBondContact O-N 3.36Å |
| 395 | S | 85.7 | Confident | 87.7 | Confident | 78 Ų | 78 | 95.6 Ų | 95.6 | 55% | 0.545 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.3 | -35.9 | 178 | -169.7 | 0 | 0 | 0 | 0 | 112.9 | E391 A392 S399 | E391-S395 WeakPolarHBondContact O-CB 3.48Å; E391-S395 PolarHBondContact O-N 2.98Å; A392-S395 PolarHBondContact O-N 2.91Å; S395-S399 PolarHBondContact O-N 2.99Å; S395-S399 VanDerWaalsContact O-N 3.1Å; S395-S399 PolarHBondContact O-OG 3.1Å |
| 396 | E | 86.8 | Confident | 87.2 | Confident | 135 Ų | 135 | 97.8 Ų | 97.8 | 63% | 0.631 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.4 | -48.2 | 174.1 | -176.5 | -179.7 | -165.8 | 0 | 0 | 111.4 | A392 L394 L398 S399 A400 | A392-E396 PolarHBondContact O-N 2.97Å; L394-E396 PolarHBondContact O-N 2.97Å; E396-L398 VanDerWaalsContact C-N 3.33Å; E396-L398 PolarHBondContact O-N 3.25Å; E396-S399 PolarHBondContact O-N 3.17Å; E396-S399 PolarHBondContact O-OG 3.48Å; E396-S399 VanDerWaalsContact O-OG 3.05Å; E396-A400 WeakPolarHBondContact O-CB 2.79Å; E396-A400 PolarHBondContact O-N 3.43Å |
| 397 | V | 86.9 | Confident | 86.6 | Confident | 89 Ų | 89 | 97.4 Ų | 97.4 | 54% | 0.539 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 177.3 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | Q393 L394 S401 | Q393-V397 WeakPolarHBondContact O-CG2 3.31Å; Q393-V397 PolarHBondContact O-N 2.93Å; Q393-V397 VanDerWaalsContact O-N 3.09Å; L394-V397 PolarHBondContact O-N 3.3Å; V397-S401 VanDerWaalsContact O-CB 3.31Å; V397-S401 WeakPolarHBondContact O-CB 3.25Å; V397-S401 PolarHBondContact O-N 2.9Å; V397-S401 VanDerWaalsContact O-N 3.1Å; V397-S401 PolarHBondContact O-OG 3.4Å |
| 398 | L | 82.3 | Confident | 86.1 | Confident | 78 Ų | 78 | 95.5 Ų | 95.5 | 41% | 0.408 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 177.4 | -75.5 | 170.2 | 0 | 0 | 0 | 112.4 | L394 E396 M408 | L394-L398 HydrophobicContact CD1-CD1 4.49Å; L394-L398 HydrophobicContact CG-CD1 4Å; L394-L398 HydrophobicContact CG-CG 4.49Å; L394-L398 WeakPolarHBondContact O-CB 3.44Å; L394-L398 WeakPolarHBondContact O-CG 3.27Å; L394-L398 PolarHBondContact O-N 3.36Å; E396-L398 VanDerWaalsContact C-N 3.33Å; E396-L398 PolarHBondContact O-N 3.25Å; L398-M408 HydrophobicContact CD2-CE 3.66Å |
| 399 | S | 83.8 | Confident | 85.6 | Confident | 84 Ų | 84 | 93 Ų | 93 | 59% | 0.587 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -71.5 | -38.5 | 179.3 | 69.4 | 0 | 0 | 0 | 0 | 112.4 | S395 E396 S401 | S395-S399 PolarHBondContact O-N 2.99Å; S395-S399 VanDerWaalsContact O-N 3.1Å; S395-S399 PolarHBondContact O-OG 3.1Å; E396-S399 PolarHBondContact O-N 3.17Å; E396-S399 PolarHBondContact O-OG 3.48Å; E396-S399 VanDerWaalsContact O-OG 3.05Å; S399-S401 VanDerWaalsContact C-N 3.32Å; S399-S401 PolarHBondContact O-N 3.12Å |
| 400 | A | 86.5 | Confident | 85.4 | Confident | 74 Ų | 74 | 91.1 Ų | 91.1 | 61% | 0.612 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68 | -28.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | E396 | E396-A400 WeakPolarHBondContact O-CB 2.79Å; E396-A400 PolarHBondContact O-N 3.43Å |
| 401 | S | 80.3 | Confident | 85.1 | Confident | 55 Ų | 55 | 89.4 Ų | 89.4 | 39% | 0.385 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -14.2 | -171.5 | -59.1 | 0 | 0 | 0 | 0 | 115 | V397 S399 L403 | V397-S401 VanDerWaalsContact O-CB 3.31Å; V397-S401 WeakPolarHBondContact O-CB 3.25Å; V397-S401 PolarHBondContact O-N 2.9Å; V397-S401 VanDerWaalsContact O-N 3.1Å; V397-S401 PolarHBondContact O-OG 3.4Å; S399-S401 VanDerWaalsContact C-N 3.32Å; S399-S401 PolarHBondContact O-N 3.12Å; S401-L403 PolarHBondContact O-N 3.34Å |
| 402 | N | 78.2 | Confident | 84.8 | Confident | 152 Ų | 152 | 86.7 Ų | 86.7 | 81% | 0.813 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 33 | -177.7 | -73.1 | -52.2 | 0 | 0 | 0 | 114.8 | ||
| 403 | L | 78.1 | Confident | 84.8 | Confident | 92 Ų | 92 | 92.6 Ų | 92.6 | 48% | 0.482 | 53% | 0.53 | S | S | . | . | trans | -77.8 | 148.7 | 179.5 | -63.6 | 169.5 | 0 | 0 | 0 | 110.8 | S401 P405 M408 | S401-L403 PolarHBondContact O-N 3.34Å; L403-P405 VanDerWaalsContact O-CD 3.26Å; L403-P405 WeakPolarHBondContact O-CD 3.4Å; L403-P405 VanDerWaalsContact O-N 3.16Å; L403-M408 HydrophobicContact CB-CG 3.67Å; L403-M408 HydrophobicContact CD1-CE 4.37Å; L403-M408 HydrophobicContact CD1-CG 3.89Å; L403-M408 HydrophobicContact CD1-SD 3.71Å; L403-M408 HydrophobicContact CG-CG 4.41Å | ||
| 404 | D | 83.2 | Confident | 84.8 | Confident | 75 Ų | 75 | 94.3 Ų | 94.3 | 40% | 0.401 | 54% | 0.536 | S | S | . | . | trans | -55.6 | 118.4 | 172.2 | 164.5 | 35.9 | 0 | 0 | 0 | 110.6 | I406 S407 M408 | D404-I406 PolarHBondContact O-N 3.45Å; D404-I406 WeakPolarHBondContact OD1-CB 3.45Å; D404-I406 PolarHBondContact OD1-N 2.97Å; D404-S407 PolarHBondContact O-N 3.13Å; D404-S407 WeakPolarHBondContact OD2-CB 3.5Å; D404-S407 PolarHBondContact OD2-N 2.91Å; D404-S407 PolarHBondContact OD2-OG 3.44Å; D404-M408 PolarHBondContact O-N 3.37Å | ||
| 405 | P | 81.8 | Confident | 85 | Confident | 101 Ų | 101 | 94.1 Ų | 94.1 | 66% | 0.656 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.5 | -30.6 | 179.5 | -25.4 | 35.6 | 0 | 0 | 0 | 113.6 | L403 A409 | L403-P405 VanDerWaalsContact O-CD 3.26Å; L403-P405 WeakPolarHBondContact O-CD 3.4Å; L403-P405 VanDerWaalsContact O-N 3.16Å; P405-A409 WeakPolarHBondContact O-CB 3.39Å; P405-A409 PolarHBondContact O-N 2.92Å |
| 406 | I | 84.9 | Confident | 85.3 | Confident | 128 Ų | 128 | 91.7 Ų | 91.7 | 66% | 0.656 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -72.1 | -48.2 | -177.4 | -57.8 | 176.4 | 0 | 0 | 0 | 109.9 | D404 T410 | D404-I406 PolarHBondContact O-N 3.45Å; D404-I406 WeakPolarHBondContact OD1-CB 3.45Å; D404-I406 PolarHBondContact OD1-N 2.97Å; I406-T410 WeakPolarHBondContact O-CB 3.25Å; I406-T410 PolarHBondContact O-N 2.88Å; I406-T410 PolarHBondContact O-OG1 3.45Å |
| 407 | S | 82.8 | Confident | 85.6 | Confident | 70 Ų | 70 | 89.9 Ų | 89.9 | 49% | 0.49 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61 | -45.6 | 173.8 | -64.2 | 0 | 0 | 0 | 0 | 111.6 | D404 T410 V411 | D404-S407 PolarHBondContact O-N 3.13Å; D404-S407 WeakPolarHBondContact OD2-CB 3.5Å; D404-S407 PolarHBondContact OD2-N 2.91Å; D404-S407 PolarHBondContact OD2-OG 3.44Å; S407-T410 WeakPolarHBondContact O-CB 3.45Å; S407-T410 PolarHBondContact O-N 3.49Å; S407-V411 WeakPolarHBondContact O-CG2 3.44Å; S407-V411 PolarHBondContact O-N 2.92Å |
| 408 | M | 83.5 | Confident | 86 | Confident | 55 Ų | 55 | 90 Ų | 90 | 27% | 0.271 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 178.3 | -83.2 | -59.1 | -67.3 | 0 | 0 | 113 | L398 L403 D404 T410 V411 S412 | L398-M408 HydrophobicContact CD2-CE 3.66Å; L403-M408 HydrophobicContact CB-CG 3.67Å; L403-M408 HydrophobicContact CD1-CE 4.37Å; L403-M408 HydrophobicContact CD1-CG 3.89Å; L403-M408 HydrophobicContact CD1-SD 3.71Å; L403-M408 HydrophobicContact CG-CG 4.41Å; D404-M408 PolarHBondContact O-N 3.37Å; M408-T410 PolarHBondContact O-N 3.34Å; M408-V411 PolarHBondContact O-N 3.44Å; M408-S412 WeakPolarHBondContact O-CB 3.39Å; M408-S412 PolarHBondContact O-N 2.93Å; M408-S412 PolarHBondContact O-OG 2.85Å |
| 409 | A | 85.3 | Confident | 86.5 | Confident | 57 Ų | 57 | 90.7 Ų | 90.7 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.7 | -36 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | P405 R413 | P405-A409 WeakPolarHBondContact O-CB 3.39Å; P405-A409 PolarHBondContact O-N 2.92Å; A409-R413 WeakPolarHBondContact O-CB 3.34Å; A409-R413 PolarHBondContact O-N 2.84Å |
| 410 | T | 88.5 | Confident | 87 | Confident | 73 Ų | 73 | 92.2 Ų | 92.2 | 45% | 0.448 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.4 | -41.3 | 177.1 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | I406 S407 M408 K414 | I406-T410 WeakPolarHBondContact O-CB 3.25Å; I406-T410 PolarHBondContact O-N 2.88Å; I406-T410 PolarHBondContact O-OG1 3.45Å; S407-T410 WeakPolarHBondContact O-CB 3.45Å; S407-T410 PolarHBondContact O-N 3.49Å; M408-T410 PolarHBondContact O-N 3.34Å; T410-K414 WeakPolarHBondContact O-CG 3.49Å; T410-K414 PolarHBondContact O-N 2.97Å |
| 411 | V | 87.3 | Confident | 87.4 | Confident | 90 Ų | 90 | 92.4 Ų | 92.4 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.5 | -47.8 | 176 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | S407 M408 R413 K414 L415 | S407-V411 WeakPolarHBondContact O-CG2 3.44Å; S407-V411 PolarHBondContact O-N 2.92Å; M408-V411 PolarHBondContact O-N 3.44Å; V411-R413 VanDerWaalsContact C-N 3.34Å; V411-R413 PolarHBondContact O-N 3.46Å; V411-K414 PolarHBondContact O-N 3.4Å; V411-L415 WeakPolarHBondContact O-CB 3.44Å; V411-L415 PolarHBondContact O-N 2.89Å |
| 412 | S | 86.4 | Confident | 88.1 | Confident | 69 Ų | 69 | 95.8 Ų | 95.8 | 48% | 0.483 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 178.9 | -67.5 | 0 | 0 | 0 | 0 | 112.6 | M408 L415 G416 | M408-S412 WeakPolarHBondContact O-CB 3.39Å; M408-S412 PolarHBondContact O-N 2.93Å; M408-S412 PolarHBondContact O-OG 2.85Å; S412-L415 PolarHBondContact O-N 3.33Å; S412-G416 PolarHBondContact O-N 3.33Å |
| 413 | R | 90.6 | Very high | 88.9 | Confident | 184 Ų | 184 | 92 Ų | 92 | 69% | 0.694 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62 | -51.9 | 174.5 | -173.4 | 176.5 | -65.9 | 162.2 | 1.1 | 111.4 | A409 V411 L415 G416 D417 | A409-R413 WeakPolarHBondContact O-CB 3.34Å; A409-R413 PolarHBondContact O-N 2.84Å; V411-R413 VanDerWaalsContact C-N 3.34Å; V411-R413 PolarHBondContact O-N 3.46Å; R413-L415 PolarHBondContact O-N 3.28Å; R413-G416 CarbonylContact O-C 3.58Å; R413-G416 WeakPolarHBondContact O-CA 3.45Å; R413-G416 PolarHBondContact O-N 2.97Å; R413-D417 PolarHBondContact O-N 2.67Å |
| 414 | K | 91.7 | Very high | 89.7 | Confident | 135 Ų | 135 | 88.8 Ų | 88.8 | 59% | 0.587 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58 | -36.2 | 177.1 | -75.3 | -177.6 | 177.1 | -177.9 | 0 | 113 | T410 V411 D417 I418 | T410-K414 WeakPolarHBondContact O-CG 3.49Å; T410-K414 PolarHBondContact O-N 2.97Å; V411-K414 PolarHBondContact O-N 3.4Å; K414-D417 WeakPolarHBondContact CA-OD2 3.2Å; K414-I418 WeakPolarHBondContact O-CD1 3.44Å; K414-I418 VanDerWaalsContact O-CG1 3.27Å; K414-I418 WeakPolarHBondContact O-CG1 3.42Å; K414-I418 PolarHBondContact O-N 3.21Å; K414-I418 VanDerWaalsContact O-N 3.12Å |
| 415 | L | 90.3 | Very high | 90.3 | Very high | 103 Ų | 103 | 88.3 Ų | 88.3 | 54% | 0.539 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.8 | -40.1 | 176.1 | -165.6 | 69.4 | 0 | 0 | 0 | 111.4 | V411 S412 R413 I418 L419 | V411-L415 WeakPolarHBondContact O-CB 3.44Å; V411-L415 PolarHBondContact O-N 2.89Å; S412-L415 PolarHBondContact O-N 3.33Å; R413-L415 PolarHBondContact O-N 3.28Å; L415-I418 PolarHBondContact O-N 2.68Å; L415-L419 HydrophobicContact CG-CD1 4.41Å; L415-L419 WeakPolarHBondContact O-CB 3.47Å; L415-L419 VanDerWaalsContact O-CG 3.29Å; L415-L419 WeakPolarHBondContact O-CG 3.4Å; L415-L419 PolarHBondContact O-N 3.29Å |
| 416 | G | 91.4 | Very high | 90.8 | Very high | 27 Ų | 27 | 87.6 Ų | 87.6 | 28% | 0.278 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.3 | -51.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S412 R413 I418 L419 D420 | S412-G416 PolarHBondContact O-N 3.33Å; R413-G416 CarbonylContact O-C 3.58Å; R413-G416 WeakPolarHBondContact O-CA 3.45Å; R413-G416 PolarHBondContact O-N 2.97Å; G416-I418 PolarHBondContact O-N 2.85Å; G416-L419 PolarHBondContact O-N 3.4Å; G416-D420 PolarHBondContact O-N 3Å |
| 417 | D | 93.6 | Very high | 91.1 | Very high | 97 Ų | 97 | 88.4 Ų | 88.4 | 52% | 0.519 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -54.6 | -40.9 | 178.1 | -55.8 | -36.2 | 0 | 0 | 0 | 111.7 | R413 K414 S421 | R413-D417 PolarHBondContact O-N 2.67Å; K414-D417 WeakPolarHBondContact CA-OD2 3.2Å; D417-S421 VanDerWaalsContact O-CB 3.26Å; D417-S421 WeakPolarHBondContact O-CB 3.44Å; D417-S421 PolarHBondContact O-N 2.99Å |
| 418 | I | 94.8 | Very high | 91.5 | Very high | 91 Ų | 91 | 90.8 Ų | 90.8 | 47% | 0.467 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.3 | -38.9 | 176.6 | -70.9 | 164.3 | 0 | 0 | 0 | 112.1 | K414 L415 G416 K422 | K414-I418 WeakPolarHBondContact O-CD1 3.44Å; K414-I418 VanDerWaalsContact O-CG1 3.27Å; K414-I418 WeakPolarHBondContact O-CG1 3.42Å; K414-I418 PolarHBondContact O-N 3.21Å; K414-I418 VanDerWaalsContact O-N 3.12Å; L415-I418 PolarHBondContact O-N 2.68Å; G416-I418 PolarHBondContact O-N 2.85Å; I418-K422 HydrophobicContact CG2-CD 4.26Å; I418-K422 WeakPolarHBondContact O-CB 3.3Å; I418-K422 VanDerWaalsContact O-CG 3.29Å; I418-K422 WeakPolarHBondContact O-CG 3.39Å; I418-K422 PolarHBondContact O-N 3.24Å |
| 419 | L | 92.9 | Very high | 91.9 | Very high | 93 Ų | 93 | 93.6 Ų | 93.6 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.7 | -43.9 | 177 | -75.1 | 169 | 0 | 0 | 0 | 111.3 | L415 G416 K422 N423 | L415-L419 HydrophobicContact CG-CD1 4.41Å; L415-L419 WeakPolarHBondContact O-CB 3.47Å; L415-L419 VanDerWaalsContact O-CG 3.29Å; L415-L419 WeakPolarHBondContact O-CG 3.4Å; L415-L419 PolarHBondContact O-N 3.29Å; G416-L419 PolarHBondContact O-N 3.4Å; L419-K422 PolarHBondContact O-N 2.98Å; L419-N423 WeakPolarHBondContact O-CB 3.37Å; L419-N423 PolarHBondContact O-N 3.28Å; L419-N423 PolarHBondContact O-ND2 3.16Å; L419-N423 VanDerWaalsContact O-ND2 3.17Å |
| 420 | D | 94.3 | Very high | 92 | Very high | 115 Ų | 115 | 96.3 Ų | 96.3 | 62% | 0.615 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.1 | -37.9 | 178.1 | -79 | -24.8 | 0 | 0 | 0 | 112.4 | G416 K422 N423 G424 | G416-D420 PolarHBondContact O-N 3Å; D420-K422 PolarHBondContact O-N 2.91Å; D420-N423 PolarHBondContact O-N 3.3Å; D420-G424 PolarHBondContact O-N 3.22Å |
| 421 | S | 95.4 | Very high | 91.8 | Very high | 78 Ų | 78 | 99.4 Ų | 99.4 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.3 | -48.9 | 168.7 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | D417 N423 G424 T425 | D417-S421 VanDerWaalsContact O-CB 3.26Å; D417-S421 WeakPolarHBondContact O-CB 3.44Å; D417-S421 PolarHBondContact O-N 2.99Å; S421-N423 PolarHBondContact O-N 3.46Å; S421-G424 PolarHBondContact O-N 2.79Å; S421-T425 PolarHBondContact O-N 3.01Å; S421-T425 PolarHBondContact O-OG1 3.36Å |
| 422 | K | 95.7 | Very high | 91.9 | Very high | 127 Ų | 127 | 98.3 Ų | 98.3 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.5 | -40.5 | 176.7 | -74.3 | 175.1 | -177.5 | -60.3 | 0 | 112.6 | I418 L419 D420 G424 T425 I426 | I418-K422 HydrophobicContact CG2-CD 4.26Å; I418-K422 WeakPolarHBondContact O-CB 3.3Å; I418-K422 VanDerWaalsContact O-CG 3.29Å; I418-K422 WeakPolarHBondContact O-CG 3.39Å; I418-K422 PolarHBondContact O-N 3.24Å; L419-K422 PolarHBondContact O-N 2.98Å; D420-K422 PolarHBondContact O-N 2.91Å; K422-G424 VanDerWaalsContact C-N 3.29Å; K422-G424 PolarHBondContact O-N 3.48Å; K422-T425 PolarHBondContact O-N 3.33Å; K422-I426 WeakPolarHBondContact O-CB 3.38Å; K422-I426 WeakPolarHBondContact O-CD1 3.4Å; K422-I426 VanDerWaalsContact O-CG1 3.24Å; K422-I426 WeakPolarHBondContact O-CG1 3.41Å; K422-I426 PolarHBondContact O-N 3.45Å |
| 423 | N | 93.9 | Very high | 91.8 | Very high | 72 Ų | 72 | 99.3 Ų | 99.3 | 39% | 0.385 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.4 | -34.1 | 175.7 | -72.6 | -32.2 | 0 | 0 | 0 | 111.9 | L419 D420 S421 K427 | L419-N423 WeakPolarHBondContact O-CB 3.37Å; L419-N423 PolarHBondContact O-N 3.28Å; L419-N423 PolarHBondContact O-ND2 3.16Å; L419-N423 VanDerWaalsContact O-ND2 3.17Å; D420-N423 PolarHBondContact O-N 3.3Å; S421-N423 PolarHBondContact O-N 3.46Å; N423-K427 WeakPolarHBondContact O-CD 3.49Å; N423-K427 VanDerWaalsContact O-CG 3.31Å; N423-K427 WeakPolarHBondContact O-CG 3.46Å; N423-K427 PolarHBondContact O-N 3.31Å |
| 424 | G | 95.8 | Very high | 91.4 | Very high | 25 Ų | 25 | 91.6 Ų | 91.6 | 26% | 0.258 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.2 | -59 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D420 S421 K422 I426 K427 E428 | D420-G424 PolarHBondContact O-N 3.22Å; S421-G424 PolarHBondContact O-N 2.79Å; K422-G424 VanDerWaalsContact C-N 3.29Å; K422-G424 PolarHBondContact O-N 3.48Å; G424-I426 VanDerWaalsContact C-N 3.25Å; G424-I426 PolarHBondContact O-N 3.15Å; G424-K427 WeakPolarHBondContact O-CA 3.27Å; G424-K427 WeakPolarHBondContact O-CB 3.32Å; G424-K427 PolarHBondContact O-N 2.8Å; G424-E428 WeakPolarHBondContact O-CG 3.47Å; G424-E428 PolarHBondContact O-N 2.89Å |
| 425 | T | 95 | Very high | 91 | Very high | 64 Ų | 64 | 88.8 Ų | 88.8 | 39% | 0.393 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.4 | -34.4 | 179.8 | -50.6 | 0 | 0 | 0 | 0 | 113 | S421 K422 E428 L429 | S421-T425 PolarHBondContact O-N 3.01Å; S421-T425 PolarHBondContact O-OG1 3.36Å; K422-T425 PolarHBondContact O-N 3.33Å; T425-E428 WeakPolarHBondContact CA-OE2 3.39Å; T425-E428 PolarHBondContact O-N 2.86Å; T425-L429 HydrophobicContact CG2-CD1 3.95Å; T425-L429 HydrophobicContact CG2-CG 4.26Å; T425-L429 WeakPolarHBondContact O-CB 3.23Å; T425-L429 VanDerWaalsContact O-CG 3.25Å; T425-L429 WeakPolarHBondContact O-CG 3.22Å; T425-L429 PolarHBondContact O-N 3.48Å |
| 426 | I | 91.8 | Very high | 90.8 | Very high | 86 Ų | 86 | 88.1 Ų | 88.1 | 44% | 0.441 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 174.1 | -72 | 164.4 | 0 | 0 | 0 | 111.4 | K422 G424 Q430 | K422-I426 WeakPolarHBondContact O-CB 3.38Å; K422-I426 WeakPolarHBondContact O-CD1 3.4Å; K422-I426 VanDerWaalsContact O-CG1 3.24Å; K422-I426 WeakPolarHBondContact O-CG1 3.41Å; K422-I426 PolarHBondContact O-N 3.45Å; G424-I426 VanDerWaalsContact C-N 3.25Å; G424-I426 PolarHBondContact O-N 3.15Å; I426-Q430 WeakPolarHBondContact O-CB 3.29Å; I426-Q430 VanDerWaalsContact O-CG 3.23Å; I426-Q430 WeakPolarHBondContact O-CG 3.33Å; I426-Q430 PolarHBondContact O-N 2.81Å |
| 427 | K | 91.2 | Very high | 90.5 | Very high | 145 Ų | 145 | 87.5 Ų | 87.5 | 63% | 0.63 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66.8 | -42.2 | 176.5 | -69.4 | 164.9 | -176.5 | 171.8 | 0 | 111.5 | N423 G424 Q430 Y431 | N423-K427 WeakPolarHBondContact O-CD 3.49Å; N423-K427 VanDerWaalsContact O-CG 3.31Å; N423-K427 WeakPolarHBondContact O-CG 3.46Å; N423-K427 PolarHBondContact O-N 3.31Å; G424-K427 WeakPolarHBondContact O-CA 3.27Å; G424-K427 WeakPolarHBondContact O-CB 3.32Å; G424-K427 PolarHBondContact O-N 2.8Å; K427-Q430 PolarHBondContact O-N 3.48Å; K427-Y431 WeakPolarHBondContact O-CB 3.33Å; K427-Y431 PolarHBondContact O-N 2.74Å |
| 428 | E | 91.8 | Very high | 90 | Very high | 121 Ų | 121 | 83.5 Ų | 83.5 | 57% | 0.565 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -60.9 | -49.1 | 176.5 | -68.7 | 168.8 | 160.7 | 0 | 0 | 111.4 | G424 T425 Q430 Y431 E432 | G424-E428 WeakPolarHBondContact O-CG 3.47Å; G424-E428 PolarHBondContact O-N 2.89Å; T425-E428 WeakPolarHBondContact CA-OE2 3.39Å; T425-E428 PolarHBondContact O-N 2.86Å; E428-Q430 VanDerWaalsContact C-N 3.34Å; E428-Q430 PolarHBondContact O-N 3.3Å; E428-Y431 WeakPolarHBondContact O-CB 3.47Å; E428-Y431 PolarHBondContact O-N 2.8Å; E428-E432 PolarHBondContact O-N 3.06Å |
| 429 | L | 92.3 | Very high | 89.5 | Confident | 114 Ų | 114 | 81 Ų | 81 | 60% | 0.597 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65.3 | -34.1 | 177.7 | -70.3 | 172.7 | 0 | 0 | 0 | 112.9 | T425 L433 | T425-L429 HydrophobicContact CG2-CD1 3.95Å; T425-L429 HydrophobicContact CG2-CG 4.26Å; T425-L429 WeakPolarHBondContact O-CB 3.23Å; T425-L429 VanDerWaalsContact O-CG 3.25Å; T425-L429 WeakPolarHBondContact O-CG 3.22Å; T425-L429 PolarHBondContact O-N 3.48Å; L429-L433 VanDerWaalsContact O-CB 3.29Å; L429-L433 WeakPolarHBondContact O-CB 3.3Å; L429-L433 PolarHBondContact O-N 3.44Å |
| 430 | Q | 86.5 | Confident | 89.1 | Confident | 114 Ų | 114 | 80.3 Ų | 80.3 | 53% | 0.533 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.2 | -40 | 172.4 | -76.3 | 174.4 | 7.4 | 0 | 0 | 112 | I426 K427 E428 A434 | I426-Q430 WeakPolarHBondContact O-CB 3.29Å; I426-Q430 VanDerWaalsContact O-CG 3.23Å; I426-Q430 WeakPolarHBondContact O-CG 3.33Å; I426-Q430 PolarHBondContact O-N 2.81Å; K427-Q430 PolarHBondContact O-N 3.48Å; E428-Q430 VanDerWaalsContact C-N 3.34Å; E428-Q430 PolarHBondContact O-N 3.3Å; Q430-A434 WeakPolarHBondContact O-CB 3.16Å; Q430-A434 PolarHBondContact O-N 3.46Å |
| 431 | Y | 86.2 | Confident | 88.7 | Confident | 137 Ų | 137 | 75.5 Ų | 75.5 | 54% | 0.537 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66 | -44.5 | 174.9 | 176.7 | -96.4 | 0 | 0 | 0 | 111.9 | K427 E428 A434 R435 | K427-Y431 WeakPolarHBondContact O-CB 3.33Å; K427-Y431 PolarHBondContact O-N 2.74Å; E428-Y431 WeakPolarHBondContact O-CB 3.47Å; E428-Y431 PolarHBondContact O-N 2.8Å; Y431-A434 WeakPolarHBondContact O-CB 3.29Å; Y431-A434 PolarHBondContact O-N 3.09Å; Y431-R435 WeakPolarHBondContact O-CB 3.15Å; Y431-R435 PolarHBondContact O-N 3.43Å |
| 432 | E | 87.6 | Confident | 88.1 | Confident | 67 Ų | 67 | 74 Ų | 74 | 31% | 0.313 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.4 | -43 | 176.2 | -76.8 | -57.8 | 151.1 | 0 | 0 | 112.3 | E428 A434 R435 V436 | E428-E432 PolarHBondContact O-N 3.06Å; E432-A434 VanDerWaalsContact C-N 3.31Å; E432-A434 PolarHBondContact O-N 3.43Å; E432-R435 WeakPolarHBondContact O-CB 3.26Å; E432-R435 PolarHBondContact O-N 2.83Å; E432-R435 VanDerWaalsContact O-N 3.17Å; E432-R435 IonicContact OE1-CZ 3.7Å; E432-R435 IonicContact OE1-NE 3.23Å; E432-R435 PolarHBondContact OE1-NE 2.78Å; E432-R435 IonicContact OE1-NH2 2.61Å; E432-R435 PolarHBondContact OE1-NH2 2.96Å; E432-R435 IonicContact OE2-CZ 2.68Å; E432-R435 IonicContact OE2-NE 2.69Å; E432-R435 PolarHBondContact OE2-NE 3.47Å; E432-R435 IonicContact OE2-NH2 3.71Å; E432-R435 PolarHBondContact OE2-NH2 2.8Å; E432-V436 WeakPolarHBondContact O-CG2 3.35Å; E432-V436 PolarHBondContact O-N 3.19Å |
| 433 | L | 85.5 | Confident | 87.7 | Confident | 90 Ų | 90 | 73 Ų | 73 | 47% | 0.471 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59 | -43.4 | 172.7 | -178.6 | 61.7 | 0 | 0 | 0 | 111.2 | L429 R435 V436 C437 L470 | L429-L433 VanDerWaalsContact O-CB 3.29Å; L429-L433 WeakPolarHBondContact O-CB 3.3Å; L429-L433 PolarHBondContact O-N 3.44Å; L433-R435 PolarHBondContact O-N 3.22Å; L433-V436 PolarHBondContact O-N 2.85Å; L433-C437 VanDerWaalsContact O-CB 3.25Å; L433-C437 WeakPolarHBondContact O-CB 3.4Å; L433-C437 PolarHBondContact O-N 3.25Å; L433-C437 PolarHBondContact O-SG 3.3Å; L433-C437 VanDerWaalsContact O-SG 3.32Å; L433-L470 HydrophobicContact CD2-CD1 4.12Å |
| 434 | A | 82 | Confident | 87.4 | Confident | 23 Ų | 23 | 71.1 Ų | 71.1 | 19% | 0.19 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.9 | -39.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q430 Y431 E432 K438 L475 | Q430-A434 WeakPolarHBondContact O-CB 3.16Å; Q430-A434 PolarHBondContact O-N 3.46Å; Y431-A434 WeakPolarHBondContact O-CB 3.29Å; Y431-A434 PolarHBondContact O-N 3.09Å; E432-A434 VanDerWaalsContact C-N 3.31Å; E432-A434 PolarHBondContact O-N 3.43Å; A434-K438 WeakPolarHBondContact O-CB 3.45Å; A434-K438 PolarHBondContact O-N 3.01Å; A434-L475 HydrophobicContact CB-CD1 4.4Å; A434-L475 HydrophobicContact CB-CD2 3.89Å |
| 435 | R | 83.6 | Confident | 86.9 | Confident | 75 Ų | 75 | 74.2 Ų | 74.2 | 28% | 0.283 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.3 | -46.8 | 177.5 | -172 | 168.9 | 74.7 | 145.4 | -1.2 | 111.6 | Y431 E432 L433 K438 A439 | Y431-R435 WeakPolarHBondContact O-CB 3.15Å; Y431-R435 PolarHBondContact O-N 3.43Å; E432-R435 WeakPolarHBondContact O-CB 3.26Å; E432-R435 PolarHBondContact O-N 2.83Å; E432-R435 VanDerWaalsContact O-N 3.17Å; E432-R435 IonicContact OE1-CZ 3.7Å; E432-R435 IonicContact OE1-NE 3.23Å; E432-R435 PolarHBondContact OE1-NE 2.78Å; E432-R435 IonicContact OE1-NH2 2.61Å; E432-R435 PolarHBondContact OE1-NH2 2.96Å; E432-R435 IonicContact OE2-CZ 2.68Å; E432-R435 IonicContact OE2-NE 2.69Å; E432-R435 PolarHBondContact OE2-NE 3.47Å; E432-R435 IonicContact OE2-NH2 3.71Å; E432-R435 PolarHBondContact OE2-NH2 2.8Å; L433-R435 PolarHBondContact O-N 3.22Å; R435-K438 PolarHBondContact O-N 3.15Å; R435-A439 WeakPolarHBondContact O-CB 2.96Å; R435-A439 PolarHBondContact O-N 2.95Å |
| 436 | V | 86.1 | Confident | 86.5 | Confident | 90 Ų | 90 | 75.5 Ų | 75.5 | 55% | 0.545 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.5 | -44.2 | 178 | 174 | 0 | 0 | 0 | 0 | 111.6 | E432 L433 K438 A439 H440 | E432-V436 WeakPolarHBondContact O-CG2 3.35Å; E432-V436 PolarHBondContact O-N 3.19Å; L433-V436 PolarHBondContact O-N 2.85Å; V436-K438 VanDerWaalsContact C-N 3.27Å; V436-K438 PolarHBondContact O-N 2.84Å; V436-A439 PolarHBondContact O-N 3.14Å; V436-H440 WeakPolarHBondContact O-CB 3.43Å; V436-H440 PolarHBondContact O-N 3.4Å |
| 437 | C | 85.1 | Confident | 86.3 | Confident | 14 Ų | 14 | 74.3 Ų | 74.3 | 10% | 0.095 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60 | -36.8 | 173.5 | -76.5 | 0 | 0 | 0 | 0 | 112.2 | L433 N441 T468 | L433-C437 VanDerWaalsContact O-CB 3.25Å; L433-C437 WeakPolarHBondContact O-CB 3.4Å; L433-C437 PolarHBondContact O-N 3.25Å; L433-C437 PolarHBondContact O-SG 3.3Å; L433-C437 VanDerWaalsContact O-SG 3.32Å; C437-N441 VanDerWaalsContact O-CG 3.31Å; C437-N441 PolarHBondContact O-N 3.33Å; C437-N441 VanDerWaalsContact O-N 3.13Å; C437-N441 PolarHBondContact O-ND2 2.93Å; C437-T468 WeakPolarHBondContact CA-OG1 3.17Å; C437-T468 WeakPolarHBondContact CB-OG1 3.23Å; C437-T468 PolarHBondContact O-OG1 2.59Å; C437-T468 VanDerWaalsContact O-OG1 3.14Å |
| 438 | K | 82.1 | Confident | 86 | Confident | 12 Ų | 12 | 70.2 Ų | 70.2 | 5% | 0.052 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.2 | -53.1 | 172.3 | -168.1 | -179.5 | 157.1 | -141.1 | 0 | 111.5 | A434 R435 V436 H440 N441 D442 G478 P479 A480 V483 | A434-K438 WeakPolarHBondContact O-CB 3.45Å; A434-K438 PolarHBondContact O-N 3.01Å; R435-K438 PolarHBondContact O-N 3.15Å; V436-K438 VanDerWaalsContact C-N 3.27Å; V436-K438 PolarHBondContact O-N 2.84Å; K438-H440 PolarHBondContact O-N 3.39Å; K438-N441 PolarHBondContact O-N 3.12Å; K438-D442 WeakPolarHBondContact CE-OD2 3.42Å; K438-D442 IonicContact NZ-OD2 2.64Å; K438-D442 PolarHBondContact O-N 2.77Å; K438-G478 WeakPolarHBondContact CE-O 3.28Å; K438-G478 PolarHBondContact NZ-O 3.42Å; K438-P479 PolarHBondContact NZ-O 3.36Å; K438-A480 VanDerWaalsContact NZ-C 3.32Å; K438-A480 PolarHBondContact NZ-O 3.43Å; K438-V483 HydrophobicContact CB-CG2 4.18Å; K438-V483 HydrophobicContact CD-CG2 3.65Å; K438-V483 HydrophobicContact CG-CG2 4.07Å |
| 439 | A | 83.9 | Confident | 85.7 | Confident | 39 Ų | 39 | 67.1 Ų | 67.1 | 32% | 0.322 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -55.4 | -38.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R435 V436 L443 V483 | R435-A439 WeakPolarHBondContact O-CB 2.96Å; R435-A439 PolarHBondContact O-N 2.95Å; V436-A439 PolarHBondContact O-N 3.14Å; A439-L443 VanDerWaalsContact O-CB 3.23Å; A439-L443 WeakPolarHBondContact O-CB 3.35Å; A439-L443 PolarHBondContact O-N 2.87Å; A439-V483 HydrophobicContact CB-CG1 3.93Å |
| 440 | H | 86.1 | Confident | 85.6 | Confident | 78 Ų | 78 | 66.1 Ų | 66.1 | 36% | 0.361 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.5 | -48.5 | 173.4 | 179.3 | 74.2 | 0 | 0 | 0 | 112.6 | V436 K438 L443 L444 | V436-H440 WeakPolarHBondContact O-CB 3.43Å; V436-H440 PolarHBondContact O-N 3.4Å; K438-H440 PolarHBondContact O-N 3.39Å; H440-L443 PolarHBondContact O-N 2.82Å; H440-L444 WeakPolarHBondContact NE2-CD1 3.45Å; H440-L444 WeakPolarHBondContact O-CG 3.46Å; H440-L444 PolarHBondContact O-N 3.38Å |
| 441 | N | 84.7 | Confident | 85.6 | Confident | 14 Ų | 14 | 62.8 Ų | 62.8 | 8% | 0.075 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 178.4 | -72.6 | -22.7 | 0 | 0 | 0 | 112.4 | C437 K438 L444 L445 K467 T468 | C437-N441 VanDerWaalsContact O-CG 3.31Å; C437-N441 PolarHBondContact O-N 3.33Å; C437-N441 VanDerWaalsContact O-N 3.13Å; C437-N441 PolarHBondContact O-ND2 2.93Å; K438-N441 PolarHBondContact O-N 3.12Å; N441-L444 PolarHBondContact O-N 3.48Å; N441-L445 WeakPolarHBondContact O-CG 3.16Å; N441-L445 PolarHBondContact O-N 2.82Å; N441-K467 WeakPolarHBondContact OD1-CA 3.3Å; N441-T468 PolarHBondContact ND2-O 2.82Å; N441-T468 PolarHBondContact ND2-OG1 3.2Å; N441-T468 PolarHBondContact OD1-N 3.33Å; N441-T468 PolarHBondContact OD1-OG1 3.05Å |
| 442 | D | 84.1 | Confident | 85.7 | Confident | 47 Ų | 47 | 61.9 Ų | 61.9 | 25% | 0.251 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 175.9 | -70.7 | -12.5 | 0 | 0 | 0 | 111.3 | K438 L445 T446 | K438-D442 WeakPolarHBondContact CE-OD2 3.42Å; K438-D442 IonicContact NZ-OD2 2.64Å; K438-D442 PolarHBondContact O-N 2.77Å; D442-L445 PolarHBondContact O-N 3.33Å; D442-T446 WeakPolarHBondContact O-CB 3.49Å; D442-T446 PolarHBondContact O-N 3.41Å; D442-T446 PolarHBondContact O-OG1 3.38Å |
| 443 | L | 87.1 | Confident | 85.8 | Confident | 105 Ų | 105 | 65.3 Ų | 65.3 | 55% | 0.55 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.9 | -43 | 174.1 | 178.8 | 61.9 | 0 | 0 | 0 | 111.6 | A439 H440 L445 T446 C447 | A439-L443 VanDerWaalsContact O-CB 3.23Å; A439-L443 WeakPolarHBondContact O-CB 3.35Å; A439-L443 PolarHBondContact O-N 2.87Å; H440-L443 PolarHBondContact O-N 2.82Å; L443-L445 PolarHBondContact O-N 2.85Å; L443-T446 PolarHBondContact O-N 3.45Å; L443-C447 PolarHBondContact O-N 3.43Å; L443-C447 PolarHBondContact O-SG 2.82Å; L443-C447 VanDerWaalsContact O-SG 3.38Å |
| 444 | L | 86 | Confident | 86 | Confident | 33 Ų | 33 | 68 Ų | 68 | 17% | 0.173 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.4 | -46.4 | 174.8 | -76 | 179.9 | 0 | 0 | 0 | 111.5 | H440 N441 T446 C447 E448 P465 K467 | H440-L444 WeakPolarHBondContact NE2-CD1 3.45Å; H440-L444 WeakPolarHBondContact O-CG 3.46Å; H440-L444 PolarHBondContact O-N 3.38Å; N441-L444 PolarHBondContact O-N 3.48Å; L444-T446 VanDerWaalsContact C-N 3.32Å; L444-T446 PolarHBondContact O-N 2.85Å; L444-C447 PolarHBondContact O-N 3.42Å; L444-E448 WeakPolarHBondContact O-CB 3.42Å; L444-E448 PolarHBondContact O-N 2.86Å; L444-P465 HydrophobicContact CD1-CB 3.78Å; L444-P465 HydrophobicContact CD2-CB 3.61Å; L444-P465 HydrophobicContact CD2-CG 4.13Å; L444-P465 HydrophobicContact CG-CB 4.33Å; L444-K467 HydrophobicContact CD1-CG 4.07Å |
| 445 | L | 85.3 | Confident | 86.2 | Confident | 90 Ų | 90 | 69.9 Ų | 69.9 | 47% | 0.471 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 175.9 | -71.2 | 169.6 | 0 | 0 | 0 | 112.2 | N441 D442 L443 E448 A449 | N441-L445 WeakPolarHBondContact O-CG 3.16Å; N441-L445 PolarHBondContact O-N 2.82Å; D442-L445 PolarHBondContact O-N 3.33Å; L443-L445 PolarHBondContact O-N 2.85Å; L445-E448 PolarHBondContact O-N 3.46Å; L445-A449 WeakPolarHBondContact O-CB 3.24Å; L445-A449 PolarHBondContact O-N 3.19Å |
| 446 | T | 87.5 | Confident | 86.3 | Confident | 92 Ų | 92 | 69.6 Ų | 69.6 | 56% | 0.564 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -65.7 | -43.1 | 176.8 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | D442 L443 L444 K450 | D442-T446 WeakPolarHBondContact O-CB 3.49Å; D442-T446 PolarHBondContact O-N 3.41Å; D442-T446 PolarHBondContact O-OG1 3.38Å; L443-T446 PolarHBondContact O-N 3.45Å; L444-T446 VanDerWaalsContact C-N 3.32Å; L444-T446 PolarHBondContact O-N 2.85Å; T446-K450 WeakPolarHBondContact O-CB 3.12Å; T446-K450 PolarHBondContact O-N 2.71Å |
| 447 | C | 86.6 | Confident | 86 | Confident | 61 Ų | 61 | 67.8 Ų | 67.8 | 41% | 0.412 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.5 | -42.4 | 174 | -69.1 | 0 | 0 | 0 | 0 | 112.1 | L443 L444 A449 K450 L451 | L443-C447 PolarHBondContact O-N 3.43Å; L443-C447 PolarHBondContact O-SG 2.82Å; L443-C447 VanDerWaalsContact O-SG 3.38Å; L444-C447 PolarHBondContact O-N 3.42Å; C447-A449 PolarHBondContact O-N 3.37Å; C447-K450 PolarHBondContact O-N 3.06Å; C447-K450 VanDerWaalsContact O-N 3.16Å; C447-L451 WeakPolarHBondContact O-CG 3.48Å; C447-L451 PolarHBondContact O-N 2.94Å |
| 448 | E | 85.8 | Confident | 85.3 | Confident | 59 Ų | 59 | 69.5 Ų | 69.5 | 28% | 0.276 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57.4 | -48.1 | 176.5 | -171.3 | 171 | -176.3 | 0 | 0 | 110.8 | L444 L445 Q452 I458 K467 | L444-E448 WeakPolarHBondContact O-CB 3.42Å; L444-E448 PolarHBondContact O-N 2.86Å; L445-E448 PolarHBondContact O-N 3.46Å; E448-Q452 WeakPolarHBondContact O-CG 3.36Å; E448-Q452 PolarHBondContact O-N 2.78Å; E448-I458 HydrophobicContact CG-CD1 3.56Å; E448-I458 HydrophobicContact CG-CG1 4.07Å; E448-K467 IonicContact OE2-NZ 3.74Å; E448-K467 PolarHBondContact OE2-NZ 3.32Å |
| 449 | A | 86.6 | Confident | 85.1 | Confident | 56 Ų | 56 | 76.5 Ų | 76.5 | 46% | 0.463 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.4 | -35 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L445 C447 Q453 | L445-A449 WeakPolarHBondContact O-CB 3.24Å; L445-A449 PolarHBondContact O-N 3.19Å; C447-A449 PolarHBondContact O-N 3.37Å; A449-Q453 PolarHBondContact O-N 2.84Å |
| 450 | K | 89.2 | Confident | 84.7 | Confident | 93 Ų | 93 | 81.4 Ų | 81.4 | 40% | 0.404 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -72.8 | -36.1 | 179.5 | -165.6 | 71.5 | -164.4 | 176.2 | 0 | 112.8 | T446 C447 Q453 F454 | T446-K450 WeakPolarHBondContact O-CB 3.12Å; T446-K450 PolarHBondContact O-N 2.71Å; C447-K450 PolarHBondContact O-N 3.06Å; C447-K450 VanDerWaalsContact O-N 3.16Å; K450-Q453 PolarHBondContact O-N 3.3Å; K450-F454 HydrophobicContact CD-CE2 4.22Å; K450-F454 HydrophobicContact CG-CD2 4.18Å; K450-F454 HydrophobicContact CG-CE2 3.97Å; K450-F454 WeakPolarHBondContact O-CD2 3.09Å; K450-F454 PolarHBondContact O-N 3.4Å; K450-F454 VanDerWaalsContact O-N 3.13Å |
| 451 | L | 87.1 | Confident | 84.1 | Confident | 43 Ų | 43 | 80.4 Ų | 80.4 | 23% | 0.225 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 171.8 | -71.6 | 168.2 | 0 | 0 | 0 | 110.8 | C447 Q453 F454 G455 I456 L461 | C447-L451 WeakPolarHBondContact O-CG 3.48Å; C447-L451 PolarHBondContact O-N 2.94Å; L451-Q453 VanDerWaalsContact C-N 3.31Å; L451-Q453 PolarHBondContact O-N 3.43Å; L451-F454 CarbonylContact O-C 3.57Å; L451-F454 PolarHBondContact O-N 3.14Å; L451-F454 VanDerWaalsContact O-N 3.11Å; L451-G455 PolarHBondContact O-N 3.25Å; L451-G455 VanDerWaalsContact O-N 3.15Å; L451-I456 CarbonylContact C-O 3.6Å; L451-I456 HydrophobicContact CB-CB 4.33Å; L451-I456 HydrophobicContact CD2-CB 4.21Å; L451-I456 HydrophobicContact CD2-CD1 3.89Å; L451-I456 HydrophobicContact CD2-CG2 4.2Å; L451-I456 PolarHBondContact O-N 3.43Å; L451-L461 HydrophobicContact CD1-CD1 3.99Å; L451-L461 HydrophobicContact CD1-CD2 3.94Å; L451-L461 HydrophobicContact CD1-CG 4.33Å |
| 452 | Q | 87.4 | Confident | 83.9 | Confident | 118 Ų | 118 | 83.6 Ų | 83.6 | 55% | 0.551 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -57.4 | -41.8 | 172.3 | -72.6 | -179.8 | -5.7 | 0 | 0 | 112.3 | E448 F454 G455 I458 | E448-Q452 WeakPolarHBondContact O-CG 3.36Å; E448-Q452 PolarHBondContact O-N 2.78Å; Q452-F454 VanDerWaalsContact C-N 3.26Å; Q452-F454 PolarHBondContact O-N 2.86Å; Q452-G455 PolarHBondContact O-N 3.41Å; Q452-I458 HydrophobicContact CG-CD1 4.34Å |
| 453 | Q | 90.1 | Very high | 83.7 | Confident | 139 Ų | 139 | 87.9 Ų | 87.9 | 65% | 0.65 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.2 | -31.2 | 177.3 | -168.5 | -179.4 | 29.1 | 0 | 0 | 112.9 | A449 K450 L451 G455 | A449-Q453 PolarHBondContact O-N 2.84Å; K450-Q453 PolarHBondContact O-N 3.3Å; L451-Q453 VanDerWaalsContact C-N 3.31Å; L451-Q453 PolarHBondContact O-N 3.43Å; Q453-G455 VanDerWaalsContact C-N 3.31Å |
| 454 | F | 89.9 | Confident | 83.4 | Confident | 147 Ų | 147 | 94.4 Ų | 94.4 | 65% | 0.645 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | 6.6 | 173.1 | -71.4 | -56.3 | 0 | 0 | 0 | 113.7 | K450 L451 Q452 I456 | K450-F454 HydrophobicContact CD-CE2 4.22Å; K450-F454 HydrophobicContact CG-CD2 4.18Å; K450-F454 HydrophobicContact CG-CE2 3.97Å; K450-F454 WeakPolarHBondContact O-CD2 3.09Å; K450-F454 PolarHBondContact O-N 3.4Å; K450-F454 VanDerWaalsContact O-N 3.13Å; L451-F454 CarbonylContact O-C 3.57Å; L451-F454 PolarHBondContact O-N 3.14Å; L451-F454 VanDerWaalsContact O-N 3.11Å; Q452-F454 VanDerWaalsContact C-N 3.26Å; Q452-F454 PolarHBondContact O-N 2.86Å; F454-I456 VanDerWaalsContact C-N 3.3Å; F454-I456 HydrophobicContact CB-CD1 4.48Å; F454-I456 PolarHBondContact O-N 2.74Å |
| 455 | G | 86.2 | Confident | 83 | Confident | 62 Ų | 62 | 95.2 Ų | 95.2 | 64% | 0.639 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 10.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L451 Q452 Q453 P457 | L451-G455 PolarHBondContact O-N 3.25Å; L451-G455 VanDerWaalsContact O-N 3.15Å; Q452-G455 PolarHBondContact O-N 3.41Å; Q453-G455 VanDerWaalsContact C-N 3.31Å; G455-P457 WeakPolarHBondContact O-CD 3.02Å |
| 456 | I | 84.6 | Confident | 82.7 | Confident | 69 Ų | 69 | 98.1 Ų | 98.1 | 35% | 0.354 | 52% | 0.521 | S | S | . | . | trans | -84.5 | 116 | 179.2 | -59.7 | 169.5 | 0 | 0 | 0 | 108.9 | L451 F454 | L451-I456 CarbonylContact C-O 3.6Å; L451-I456 HydrophobicContact CB-CB 4.33Å; L451-I456 HydrophobicContact CD2-CB 4.21Å; L451-I456 HydrophobicContact CD2-CD1 3.89Å; L451-I456 HydrophobicContact CD2-CG2 4.2Å; L451-I456 PolarHBondContact O-N 3.43Å; F454-I456 VanDerWaalsContact C-N 3.3Å; F454-I456 HydrophobicContact CB-CD1 4.48Å; F454-I456 PolarHBondContact O-N 2.74Å | ||
| 457 | P | 80.4 | Confident | 82.2 | Confident | 52 Ų | 52 | 97.7 Ų | 97.7 | 34% | 0.338 | 51% | 0.511 | S | S | . | . | trans | -66 | 137.7 | 176.4 | -16.8 | 30.7 | 0 | 0 | 0 | 111.5 | G455 Q459 E460 | G455-P457 WeakPolarHBondContact O-CD 3.02Å; P457-Q459 PolarHBondContact O-N 2.73Å; P457-E460 HydrophobicContact CB-CG 4.29Å; P457-E460 HydrophobicContact CG-CG 4.24Å; P457-E460 WeakPolarHBondContact O-CB 3.44Å; P457-E460 PolarHBondContact O-N 2.84Å | ||
| 458 | I | 71.5 | Confident | 81.4 | Confident | 51 Ų | 51 | 96.7 Ų | 96.7 | 26% | 0.262 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -58 | -26 | 177.9 | -61.1 | 159.6 | 0 | 0 | 0 | 111.4 | E448 Q452 E460 L461 | E448-I458 HydrophobicContact CG-CD1 3.56Å; E448-I458 HydrophobicContact CG-CG1 4.07Å; Q452-I458 HydrophobicContact CG-CD1 4.34Å; I458-E460 VanDerWaalsContact C-N 3.27Å; I458-E460 PolarHBondContact O-N 2.74Å; I458-L461 HydrophobicContact CG2-CD1 4.25Å; I458-L461 PolarHBondContact O-N 3.06Å |
| 459 | Q | 77.1 | Confident | 80.2 | Confident | 159 Ų | 159 | 97.9 Ų | 97.9 | 74% | 0.743 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -62.8 | -28.4 | 176 | -64.1 | 79.7 | -3.3 | 0 | 0 | 113.1 | P457 L461 | P457-Q459 PolarHBondContact O-N 2.73Å; Q459-L461 VanDerWaalsContact C-N 3.31Å; Q459-L461 PolarHBondContact O-N 3.21Å |
| 460 | E | 75.6 | Confident | 78.7 | Confident | 142 Ų | 142 | 99.5 Ų | 99.5 | 66% | 0.664 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -78.7 | -11.9 | -177.6 | -64.8 | -174 | 175.4 | 0 | 0 | 113.5 | P457 I458 G462 | P457-E460 HydrophobicContact CB-CG 4.29Å; P457-E460 HydrophobicContact CG-CG 4.24Å; P457-E460 WeakPolarHBondContact O-CB 3.44Å; P457-E460 PolarHBondContact O-N 2.84Å; I458-E460 VanDerWaalsContact C-N 3.27Å; I458-E460 PolarHBondContact O-N 2.74Å; E460-G462 PolarHBondContact O-N 2.71Å; E460-G462 VanDerWaalsContact O-N 3.15Å |
| 461 | L | 74.2 | Confident | 76.7 | Confident | 57 Ų | 57 | 103 Ų | 103 | 30% | 0.298 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -62.9 | -19.6 | 177.8 | -72 | 170.4 | 0 | 0 | 0 | 113.6 | L451 I458 Q459 F463 | L451-L461 HydrophobicContact CD1-CD1 3.99Å; L451-L461 HydrophobicContact CD1-CD2 3.94Å; L451-L461 HydrophobicContact CD1-CG 4.33Å; I458-L461 HydrophobicContact CG2-CD1 4.25Å; I458-L461 PolarHBondContact O-N 3.06Å; Q459-L461 VanDerWaalsContact C-N 3.31Å; Q459-L461 PolarHBondContact O-N 3.21Å; L461-F463 HydrophobicContact CB-CE1 4.47Å; L461-F463 WeakPolarHBondContact O-CD1 3.48Å; L461-F463 WeakPolarHBondContact O-CE1 3.47Å; L461-F463 PolarHBondContact O-N 3.18Å |
| 462 | G | 78.7 | Confident | 75.1 | Confident | 80 Ų | 80 | 107.4 Ų | 107.4 | 83% | 0.825 | 57% | 0.567 | S | S | * | * | S | Bend | trans | 71.3 | -16.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | E460 | E460-G462 PolarHBondContact O-N 2.71Å; E460-G462 VanDerWaalsContact O-N 3.15Å |
| 463 | F | 81.8 | Confident | 73.5 | Confident | 138 Ų | 138 | 107.1 Ų | 107.1 | 61% | 0.605 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -130.2 | 158.8 | 173.7 | 64.4 | -87.9 | 0 | 0 | 0 | 111.5 | L461 P465 | L461-F463 HydrophobicContact CB-CE1 4.47Å; L461-F463 WeakPolarHBondContact O-CD1 3.48Å; L461-F463 WeakPolarHBondContact O-CE1 3.47Å; L461-F463 PolarHBondContact O-N 3.18Å; F463-P465 HydrophobicContact CD2-CG 4.38Å; F463-P465 HydrophobicContact CE2-CG 4.07Å |
| 464 | R | 79.6 | Confident | 71.7 | Confident | 242 Ų | 242 | 108.9 Ų | 108.9 | 91% | 0.913 | 57% | 0.571 | S | S | * | * | trans | -103.2 | 119.3 | 170.6 | -70.2 | -174.8 | 177.9 | -175.2 | -0.3 | 109.4 | L466 | R464-L466 PolarHBondContact O-N 2.75Š| ||
| 465 | P | 77.1 | Confident | 69.9 | Low | 50 Ų | 50 | 103.3 Ų | 103.3 | 33% | 0.325 | 55% | 0.548 | S | S | . | . | trans | -59.4 | 130.6 | 174.5 | -24.1 | 33.5 | 0 | 0 | 0 | 112 | L444 F463 K467 | L444-P465 HydrophobicContact CD1-CB 3.78Å; L444-P465 HydrophobicContact CD2-CB 3.61Å; L444-P465 HydrophobicContact CD2-CG 4.13Å; L444-P465 HydrophobicContact CG-CB 4.33Å; F463-P465 HydrophobicContact CD2-CG 4.38Å; F463-P465 HydrophobicContact CE2-CG 4.07Å; P465-K467 PolarHBondContact O-N 3.41Å; P465-K467 VanDerWaalsContact O-N 3.1Å | ||
| 466 | L | 79.5 | Confident | 68.3 | Low | 151 Ų | 151 | 101.2 Ų | 101.2 | 79% | 0.791 | 53% | 0.527 | S | S | * | . | trans | -77.7 | 94.2 | 178.5 | -178.8 | 63.5 | 0 | 0 | 0 | 110.1 | R464 T468 | R464-L466 PolarHBondContact O-N 2.75Å; L466-T468 PolarHBondContact O-N 2.71Å | ||
| 467 | K | 77.3 | Confident | 67 | Low | 82 Ų | 82 | 104.4 Ų | 104.4 | 36% | 0.357 | 54% | 0.54 | S | S | . | . | trans | -61.3 | 128.8 | 173.6 | -60.7 | -170 | 179.1 | -173.2 | 0 | 109.1 | N441 L444 E448 P465 T469 | N441-K467 WeakPolarHBondContact OD1-CA 3.3Å; L444-K467 HydrophobicContact CD1-CG 4.07Å; E448-K467 IonicContact OE2-NZ 3.74Å; E448-K467 PolarHBondContact OE2-NZ 3.32Å; P465-K467 PolarHBondContact O-N 3.41Å; P465-K467 VanDerWaalsContact O-N 3.1Å; K467-T469 PolarHBondContact O-N 2.75Å | ||
| 468 | T | 69.6 | Low | 65.9 | Low | 41 Ų | 41 | 103.7 Ų | 103.7 | 25% | 0.252 | 54% | 0.542 | S | S | . | . | trans | -78.1 | 96.9 | -169.8 | 46.4 | 0 | 0 | 0 | 0 | 111.4 | C437 N441 L466 | C437-T468 WeakPolarHBondContact CA-OG1 3.17Å; C437-T468 WeakPolarHBondContact CB-OG1 3.23Å; C437-T468 PolarHBondContact O-OG1 2.59Å; C437-T468 VanDerWaalsContact O-OG1 3.14Å; N441-T468 PolarHBondContact ND2-O 2.82Å; N441-T468 PolarHBondContact ND2-OG1 3.2Å; N441-T468 PolarHBondContact OD1-N 3.33Å; N441-T468 PolarHBondContact OD1-OG1 3.05Å; L466-T468 PolarHBondContact O-N 2.71Å | ||
| 469 | T | 60.1 | Low | 65.2 | Low | 83 Ų | 83 | 106 Ų | 106 | 51% | 0.509 | 56% | 0.56 | S | S | . | * | trans | -119.4 | 113.5 | 170 | 52.3 | 0 | 0 | 0 | 0 | 110.3 | K467 | K467-T469 PolarHBondContact O-N 2.75Š| ||
| 470 | L | 54.7 | Low | 64.1 | Low | 91 Ų | 91 | 102 Ų | 102 | 48% | 0.476 | 55% | 0.554 | S | S | . | * | B | Isolated β-bridge | trans | -80.6 | 133.2 | 173.9 | -86.6 | 152.6 | 0 | 0 | 0 | 110 | L433 T472 Q473 L475 | L433-L470 HydrophobicContact CD2-CD1 4.12Å; L470-T472 PolarHBondContact O-N 3.48Å; L470-Q473 CarbonylContact O-C 3.58Å; L470-Q473 PolarHBondContact O-N 3.44Å; L470-L475 HydrophobicContact CD1-CD1 3.85Å |
| 471 | N | 49.1 | Very low | 62.9 | Low | 167 Ų | 167 | 97.6 Ų | 97.6 | 89% | 0.893 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -7.1 | -164.8 | -71.3 | -9.9 | 0 | 0 | 0 | 116.4 | ||
| 472 | T | 52.4 | Low | 61.6 | Low | 135 Ų | 135 | 100.3 Ų | 100.3 | 83% | 0.828 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.8 | -10.5 | 177.6 | 52 | 0 | 0 | 0 | 0 | 114.2 | L470 | L470-T472 PolarHBondContact O-N 3.48Š|
| 473 | Q | 52.9 | Low | 60.3 | Low | 112 Ų | 112 | 98.5 Ų | 98.5 | 52% | 0.523 | 53% | 0.534 | S | S | . | . | B | Isolated β-bridge | trans | -146.3 | 123.9 | -179.1 | -67.1 | -174.2 | -4.6 | 0 | 0 | 111.2 | L470 L475 | L470-Q473 CarbonylContact O-C 3.58Å; L470-Q473 PolarHBondContact O-N 3.44Å; Q473-L475 HydrophobicContact CB-CD2 4.16Å; Q473-L475 HydrophobicContact CB-CG 4.03Å; Q473-L475 PolarHBondContact O-N 3.25Å |
| 474 | K | 52.7 | Low | 58.5 | Low | 175 Ų | 175 | 96.5 Ų | 96.5 | 76% | 0.761 | 54% | 0.537 | S | S | * | . | trans | -74.1 | 69.6 | 172 | -73.7 | -170.1 | 175 | -173.9 | 0 | 111.3 | ||||
| 475 | L | 53.6 | Low | 56.4 | Low | 31 Ų | 31 | 90 Ų | 90 | 16% | 0.162 | 53% | 0.525 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | 161 | 173.4 | -59.7 | 176.6 | 0 | 0 | 0 | 110.6 | A434 L470 Q473 H477 | A434-L475 HydrophobicContact CB-CD1 4.4Å; A434-L475 HydrophobicContact CB-CD2 3.89Å; L470-L475 HydrophobicContact CD1-CD1 3.85Å; Q473-L475 HydrophobicContact CB-CD2 4.16Å; Q473-L475 HydrophobicContact CB-CG 4.03Å; Q473-L475 PolarHBondContact O-N 3.25Å; L475-H477 PolarHBondContact O-N 2.87Å; L475-H477 PolarHBondContact O-ND1 2.69Å |
| 476 | G | 52.7 | Low | 54.7 | Low | 18 Ų | 18 | 92.5 Ų | 92.5 | 19% | 0.186 | 54% | 0.54 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 13.9 | 177 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 477 | H | 55.9 | Low | 52.9 | Low | 136 Ų | 136 | 94.5 Ų | 94.5 | 63% | 0.63 | 56% | 0.562 | S | S | * | * | trans | -105.8 | 20.9 | -179.4 | -72.3 | 62.2 | 0 | 0 | 0 | 114.2 | L475 | L475-H477 PolarHBondContact O-N 2.87Å; L475-H477 PolarHBondContact O-ND1 2.69Å | ||
| 478 | G | 57.9 | Low | 51.7 | Low | 36 Ų | 36 | 95.1 Ų | 95.1 | 37% | 0.371 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -87.5 | 155.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K438 | K438-G478 WeakPolarHBondContact CE-O 3.28Å; K438-G478 PolarHBondContact NZ-O 3.42Å |
| 479 | P | 56 | Low | 50.7 | Low | 99 Ų | 99 | 97.9 Ų | 97.9 | 64% | 0.643 | 59% | 0.59 | S | S | * | * | trans | -56.4 | 145.2 | -179.6 | 23.6 | -34.2 | 0 | 0 | 0 | 112.4 | K438 G481 L482 | K438-P479 PolarHBondContact NZ-O 3.36Å; P479-G481 PolarHBondContact O-N 2.8Å; P479-G481 VanDerWaalsContact O-N 3.17Å; P479-L482 HydrophobicContact CG-CD1 3.97Å; P479-L482 PolarHBondContact O-N 2.98Å | ||
| 480 | A | 55.6 | Low | 50.2 | Low | 76 Ų | 76 | 98.8 Ų | 98.8 | 63% | 0.628 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -49.7 | -47.4 | -165.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | K438 L482 V483 | K438-A480 VanDerWaalsContact NZ-C 3.32Å; K438-A480 PolarHBondContact NZ-O 3.43Å; A480-L482 PolarHBondContact O-N 3.34Å; A480-V483 PolarHBondContact O-N 2.8Å |
| 481 | G | 49.4 | Very low | 49.9 | Very low | 50 Ų | 50 | 99.2 Ų | 99.2 | 52% | 0.515 | 60% | 0.601 | S | S | . | * | G | 310 helix | trans | -62.2 | -10.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | P479 V483 S484 | P479-G481 PolarHBondContact O-N 2.8Å; P479-G481 VanDerWaalsContact O-N 3.17Å; G481-V483 PolarHBondContact O-N 3.32Å; G481-S484 PolarHBondContact O-OG 2.94Å |
| 482 | L | 48 | Very low | 50 | Low | 113 Ų | 113 | 95 Ų | 95 | 59% | 0.592 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -73.9 | 3.3 | 177.7 | -80 | 169.1 | 0 | 0 | 0 | 115.3 | P479 A480 | P479-L482 HydrophobicContact CG-CD1 3.97Å; P479-L482 PolarHBondContact O-N 2.98Å; A480-L482 PolarHBondContact O-N 3.34Å |
| 483 | V | 51.2 | Low | 49.8 | Very low | 42 Ų | 42 | 92.3 Ų | 92.3 | 26% | 0.255 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -108.5 | -19.9 | 178.7 | 171.5 | 0 | 0 | 0 | 0 | 112.3 | K438 A439 A480 G481 V485 | K438-V483 HydrophobicContact CB-CG2 4.18Å; K438-V483 HydrophobicContact CD-CG2 3.65Å; K438-V483 HydrophobicContact CG-CG2 4.07Å; A439-V483 HydrophobicContact CB-CG1 3.93Å; A480-V483 PolarHBondContact O-N 2.8Å; G481-V483 PolarHBondContact O-N 3.32Å; V483-V485 PolarHBondContact O-N 3.18Å |
| 484 | S | 44.2 | Very low | 49.6 | Very low | 97 Ų | 97 | 90.9 Ų | 90.9 | 68% | 0.678 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -94.4 | 22 | -168.5 | 56.7 | 0 | 0 | 0 | 0 | 115 | G481 | G481-S484 PolarHBondContact O-OG 2.94Š|
| 485 | V | 34.9 | Very low | 49.4 | Very low | 106 Ų | 106 | 84.5 Ų | 84.5 | 64% | 0.642 | 56% | 0.555 | S | S | * | * | trans | -112.7 | 109.3 | 176.9 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | V483 | V483-V485 PolarHBondContact O-N 3.18Š| ||
| 486 | P | 40.7 | Very low | 49 | Very low | 101 Ų | 101 | 88.9 Ų | 88.9 | 66% | 0.656 | 59% | 0.587 | S | S | * | * | trans | -72.3 | 159.1 | 166 | 33.1 | -33.9 | 0 | 0 | 0 | 110.4 | ||||
| 487 | P | 41.6 | Very low | 48.7 | Very low | 193 Ų | 193 | 95.4 Ų | 95.4 | 100% | 1.253 | 62% | 0.624 | S | S | * | * | trans | -67.1 | 0 | 169.4 | 32.5 | -36.3 | 0 | 0 | 0 | 112.3 |
Retrieved 487 of 487 residues in 846 ms
(Link to these results)