| 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 | 43.2 | Very low | 44.5 | Very low | 244 Ų | 244 | 180.5 Ų | 180.5 | 100% | 1.202 | 87% | 0.867 | S | S | * | * | 0 | 112.1 | 0 | -75.1 | 177.1 | -175.4 | 0 | 0 | 108.9 | K3 | M1-K3 PolarHBondContact O-N 3.4Š| |||
| 2 | R | 42.9 | Very low | 45.3 | Very low | 250 Ų | 250 | 171.6 Ų | 171.6 | 94% | 0.943 | 83% | 0.826 | S | S | * | * | trans | -75.5 | 117.8 | 178.4 | -75.3 | 179.4 | -179.5 | 143.6 | -0.5 | 109.2 | M4 | R2-M4 PolarHBondContact O-N 3.4Š| ||
| 3 | K | 42.5 | Very low | 45.9 | Very low | 209 Ų | 209 | 164.1 Ų | 164.1 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | -72.9 | 103.9 | 168.5 | -73 | -177.9 | 176 | -179.4 | 0 | 108.1 | M1 A5 | M1-K3 PolarHBondContact O-N 3.4Å; K3-A5 PolarHBondContact O-N 3.11Å | ||
| 4 | M | 42.4 | Very low | 46.8 | Very low | 181 Ų | 181 | 164.9 Ų | 164.9 | 89% | 0.892 | 80% | 0.797 | S | S | * | * | trans | -71.7 | 108.1 | 166.4 | -73.7 | -95.7 | -111.2 | 0 | 0 | 107.5 | R2 L6 | R2-M4 PolarHBondContact O-N 3.4Å; M4-L6 PolarHBondContact O-N 3.28Å | ||
| 5 | A | 44.2 | Very low | 47.3 | Very low | 76 Ų | 76 | 164 Ų | 164 | 63% | 0.628 | 79% | 0.791 | S | S | * | * | trans | -75.6 | 107 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | K3 K7 | K3-A5 PolarHBondContact O-N 3.11Å; A5-K7 HydrophobicContact CB-CG 4.19Å; A5-K7 PolarHBondContact O-N 3.45Å | ||
| 6 | L | 44.9 | Very low | 47.5 | Very low | 171 Ų | 171 | 156.2 Ų | 156.2 | 90% | 0.895 | 76% | 0.759 | S | S | * | * | trans | -67.4 | 72 | 162.8 | -82.4 | 152 | 0 | 0 | 0 | 108.6 | M4 | M4-L6 PolarHBondContact O-N 3.28Š| ||
| 7 | K | 43.9 | Very low | 47.8 | Very low | 182 Ų | 182 | 153.7 Ų | 153.7 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | trans | -87.6 | 115.5 | 169.3 | -77 | -177.7 | 178.4 | -176.6 | 0 | 107.4 | A5 | A5-K7 HydrophobicContact CB-CG 4.19Å; A5-K7 PolarHBondContact O-N 3.45Å | ||
| 8 | K | 43.7 | Very low | 47.9 | Very low | 199 Ų | 199 | 151.4 Ų | 151.4 | 87% | 0.865 | 73% | 0.732 | S | S | * | * | trans | 89 | 66.7 | 166.8 | -48.3 | -172.9 | -177.8 | -173.8 | 0 | 116.1 | K10 | K8-K10 PolarHBondContact O-N 3.41Š| ||
| 9 | L | 40.7 | Very low | 48.1 | Very low | 150 Ų | 150 | 150.2 Ų | 150.2 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | trans | -77.6 | 99.3 | 144 | -144.7 | 82 | 0 | 0 | 0 | 106.2 | V11 | L9-V11 PolarHBondContact O-N 3.29Å; L9-V11 VanDerWaalsContact O-N 3.14Å | ||
| 10 | K | 51.9 | Low | 48.3 | Very low | 194 Ų | 194 | 148.6 Ų | 148.6 | 84% | 0.843 | 72% | 0.723 | S | S | * | * | trans | -67.9 | 108.4 | 171.2 | -133.8 | 175.2 | 178.6 | -178.3 | 0 | 105.4 | K8 I12 | K8-K10 PolarHBondContact O-N 3.41Å; K10-I12 PolarHBondContact O-N 3.35Å; K10-I12 VanDerWaalsContact O-N 3.09Å | ||
| 11 | V | 49.4 | Very low | 48.4 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 79% | 0.788 | 71% | 0.705 | S | S | * | * | trans | -64 | 109.7 | 173.7 | 176.6 | 0 | 0 | 0 | 0 | 106.4 | L9 | L9-V11 PolarHBondContact O-N 3.29Å; L9-V11 VanDerWaalsContact O-N 3.14Å | ||
| 12 | I | 54.4 | Low | 48.7 | Very low | 73 Ų | 73 | 138.2 Ų | 138.2 | 37% | 0.374 | 68% | 0.676 | S | S | . | * | trans | -80.1 | 123.1 | 174.6 | -62.4 | 173.9 | 0 | 0 | 0 | 106.4 | K10 S16 Y17 | K10-I12 PolarHBondContact O-N 3.35Å; K10-I12 VanDerWaalsContact O-N 3.09Å; I12-S16 WeakPolarHBondContact CG2-OG 3.47Å; I12-Y17 HydrophobicContact CB-CE2 4.21Å; I12-Y17 HydrophobicContact CG2-CD2 4.36Å; I12-Y17 HydrophobicContact CG2-CE1 4.41Å; I12-Y17 HydrophobicContact CG2-CE2 3.93Å | ||
| 13 | P | 52.7 | Low | 49 | Very low | 74 Ų | 74 | 134.6 Ų | 134.6 | 48% | 0.481 | 67% | 0.667 | S | S | . | * | trans | -58 | 146.9 | 177.1 | -21.8 | 32.2 | 0 | 0 | 0 | 111.2 | E15 S16 Y17 | P13-E15 WeakPolarHBondContact CB-OE2 3.41Å; P13-E15 PolarHBondContact O-N 3.34Å; P13-E15 VanDerWaalsContact O-N 3.12Å; P13-S16 WeakPolarHBondContact O-CB 3.36Å; P13-S16 PolarHBondContact O-N 3.08Å; P13-Y17 WeakPolarHBondContact O-CD2 3.38Å | ||
| 14 | K | 58.2 | Low | 49.5 | Very low | 176 Ų | 176 | 130.4 Ų | 130.4 | 77% | 0.765 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -59 | -27.1 | -179.7 | -74.1 | -177.6 | 178.4 | 179.5 | 0 | 112.3 | S16 | K14-S16 VanDerWaalsContact C-N 3.28Å; K14-S16 PolarHBondContact O-N 3.45Å |
| 15 | E | 54.4 | Low | 49.7 | Very low | 151 Ų | 151 | 129.2 Ų | 129.2 | 71% | 0.706 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -73.7 | -15.3 | 176.3 | -55.8 | 83.4 | -163.8 | 0 | 0 | 113.6 | P13 | P13-E15 WeakPolarHBondContact CB-OE2 3.41Å; P13-E15 PolarHBondContact O-N 3.34Å; P13-E15 VanDerWaalsContact O-N 3.12Å |
| 16 | S | 50.9 | Low | 50.1 | Low | 39 Ų | 39 | 132.8 Ų | 132.8 | 27% | 0.273 | 66% | 0.656 | S | S | . | * | G | 310 helix | trans | -86.5 | -13.5 | -178.3 | 160.2 | 0 | 0 | 0 | 0 | 114.1 | I12 P13 K14 L18 L19 | I12-S16 WeakPolarHBondContact CG2-OG 3.47Å; P13-S16 WeakPolarHBondContact O-CB 3.36Å; P13-S16 PolarHBondContact O-N 3.08Å; K14-S16 VanDerWaalsContact C-N 3.28Å; K14-S16 PolarHBondContact O-N 3.45Å; S16-L18 VanDerWaalsContact C-N 3.27Å; S16-L18 PolarHBondContact O-N 3.01Å; S16-L19 PolarHBondContact O-N 3.34Å |
| 17 | Y | 52.1 | Low | 50.4 | Low | 114 Ų | 114 | 132.1 Ų | 132.1 | 45% | 0.447 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -73.6 | -20 | -178.6 | -70 | -84.6 | 0 | 0 | 0 | 113.2 | I12 P13 | I12-Y17 HydrophobicContact CB-CE2 4.21Å; I12-Y17 HydrophobicContact CG2-CD2 4.36Å; I12-Y17 HydrophobicContact CG2-CE1 4.41Å; I12-Y17 HydrophobicContact CG2-CE2 3.93Å; P13-Y17 WeakPolarHBondContact O-CD2 3.38Å |
| 18 | L | 50.4 | Low | 50.7 | Low | 113 Ų | 113 | 129.5 Ų | 129.5 | 59% | 0.592 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -78.9 | -25.6 | 176.5 | -69.6 | 172.3 | 0 | 0 | 0 | 112.6 | S16 L20 | S16-L18 VanDerWaalsContact C-N 3.27Å; S16-L18 PolarHBondContact O-N 3.01Å; L18-L20 VanDerWaalsContact C-N 3.32Å; L18-L20 PolarHBondContact O-N 2.95Å |
| 19 | L | 52.2 | Low | 51.1 | Low | 127 Ų | 127 | 127 Ų | 127 | 67% | 0.665 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -10 | -177.1 | -79.6 | 161.4 | 0 | 0 | 0 | 114.6 | S16 | S16-L19 PolarHBondContact O-N 3.34Š|
| 20 | L | 51 | Low | 51.4 | Low | 118 Ų | 118 | 126.7 Ų | 126.7 | 62% | 0.618 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -1.6 | -174.6 | -88.2 | 158.4 | 0 | 0 | 0 | 114.1 | L18 | L18-L20 VanDerWaalsContact C-N 3.32Å; L18-L20 PolarHBondContact O-N 2.95Å |
| 21 | L | 51.2 | Low | 51.2 | Low | 67 Ų | 67 | 126.2 Ų | 126.2 | 35% | 0.351 | 64% | 0.639 | S | S | . | * | S | Bend | trans | -125.3 | 6.7 | 179.5 | -69.7 | 165.8 | 0 | 0 | 0 | 113.3 | F23 C155 | L21-F23 PolarHBondContact O-N 3.31Å; L21-C155 WeakPolarHBondContact CD1-SG 3.45Å |
| 22 | D | 49.2 | Very low | 50.9 | Low | 108 Ų | 108 | 125.9 Ų | 125.9 | 58% | 0.578 | 64% | 0.637 | S | S | * | * | trans | -78.5 | 72.6 | 165.2 | -64.9 | -25.5 | 0 | 0 | 0 | 108.1 | D24 | D22-D24 PolarHBondContact O-N 3.19Å; D22-D24 VanDerWaalsContact O-N 3.1Å | ||
| 23 | F | 49.2 | Very low | 50.4 | Low | 175 Ų | 175 | 126.8 Ų | 126.8 | 77% | 0.768 | 65% | 0.65 | S | S | * | * | trans | -79 | 65.1 | 159.6 | -70.2 | -83 | 0 | 0 | 0 | 108.4 | L21 | L21-F23 PolarHBondContact O-N 3.31Š| ||
| 24 | D | 52.3 | Low | 50.1 | Low | 120 Ų | 120 | 133 Ų | 133 | 64% | 0.642 | 67% | 0.673 | S | S | * | * | trans | -141.8 | 48.8 | 163.1 | -75.9 | -38.5 | 0 | 0 | 0 | 107 | D22 R147 | D22-D24 PolarHBondContact O-N 3.19Å; D22-D24 VanDerWaalsContact O-N 3.1Å; D24-R147 IonicContact OD1-NH2 3.2Å; D24-R147 PolarHBondContact OD1-NH2 3.05Å; D24-R147 IonicContact OD2-CZ 3.98Å; D24-R147 IonicContact OD2-NH2 2.77Å; D24-R147 PolarHBondContact OD2-NH2 3.17Å | ||
| 25 | D | 48 | Very low | 49.3 | Very low | 157 Ų | 157 | 133.2 Ų | 133.2 | 84% | 0.84 | 68% | 0.677 | S | S | * | * | trans | -82.4 | 97.5 | 152.8 | -93.8 | -22.1 | 0 | 0 | 0 | 105.5 | ||||
| 26 | E | 51 | Low | 48.7 | Very low | 151 Ų | 151 | 130.2 Ų | 130.2 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | trans | 174.4 | 95.7 | 139.4 | -84.6 | -49.6 | 156.7 | 0 | 0 | 104.8 | D28 | E26-D28 PolarHBondContact O-N 2.93Š| ||
| 27 | D | 52.7 | Low | 48.2 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 83% | 0.834 | 71% | 0.711 | S | S | * | * | trans | -60.5 | 69.6 | 152 | -73.3 | -51.8 | 0 | 0 | 0 | 107.9 | D29 | D27-D29 PolarHBondContact O-N 2.76Š| ||
| 28 | D | 49.3 | Very low | 47.9 | Very low | 127 Ų | 127 | 136.4 Ų | 136.4 | 68% | 0.679 | 72% | 0.722 | S | S | * | * | trans | -71 | 88 | 159.1 | -93 | -26.1 | 0 | 0 | 0 | 105.6 | E26 I30 | E26-D28 PolarHBondContact O-N 2.93Å; D28-I30 PolarHBondContact O-N 3.21Å | ||
| 29 | D | 51.5 | Low | 47.4 | Very low | 148 Ų | 148 | 140 Ų | 140 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | trans | -47.7 | 83.8 | 160 | -83.9 | -37.3 | 0 | 0 | 0 | 109 | D27 K31 | D27-D29 PolarHBondContact O-N 2.76Å; D29-K31 PolarHBondContact O-N 3.34Å | ||
| 30 | I | 48.7 | Very low | 47 | Very low | 143 Ų | 143 | 140.9 Ų | 140.9 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | trans | -72.3 | 77.1 | 160.6 | -55.5 | 172 | 0 | 0 | 0 | 105.3 | D28 V32 | D28-I30 PolarHBondContact O-N 3.21Å; I30-V32 HydrophobicContact CG2-CG2 3.79Å; I30-V32 PolarHBondContact O-N 3Å | ||
| 31 | K | 46.5 | Very low | 46.7 | Very low | 183 Ų | 183 | 144.5 Ų | 144.5 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | trans | -57.5 | 90 | 152.3 | -98.6 | -170.4 | 175 | -171.2 | 0 | 106.6 | D29 S33 | D29-K31 PolarHBondContact O-N 3.34Å; K31-S33 PolarHBondContact O-N 3.42Å | ||
| 32 | V | 42.6 | Very low | 46.4 | Very low | 123 Ų | 123 | 146.6 Ų | 146.6 | 75% | 0.745 | 78% | 0.777 | S | S | * | * | trans | -65.9 | 95.8 | 154.2 | 178.7 | 0 | 0 | 0 | 0 | 105.4 | I30 E34 | I30-V32 HydrophobicContact CG2-CG2 3.79Å; I30-V32 PolarHBondContact O-N 3Å; V32-E34 PolarHBondContact O-N 2.97Å; V32-E34 VanDerWaalsContact O-N 3.11Å | ||
| 33 | S | 44 | Very low | 45.9 | Very low | 92 Ų | 92 | 147 Ų | 147 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | trans | -55.1 | 113.6 | 169.5 | -23.7 | 0 | 0 | 0 | 0 | 108 | K31 E35 | K31-S33 PolarHBondContact O-N 3.42Å; S33-E35 PolarHBondContact O-N 3.03Å | ||
| 34 | E | 47.7 | Very low | 45.4 | Very low | 204 Ų | 204 | 143.2 Ų | 143.2 | 95% | 0.953 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -72.4 | 36.1 | 174.6 | -161.3 | 179.9 | 164.6 | 0 | 0 | 111.7 | V32 | V32-E34 PolarHBondContact O-N 2.97Å; V32-E34 VanDerWaalsContact O-N 3.11Å |
| 35 | E | 41.7 | Very low | 45.1 | Very low | 182 Ų | 182 | 147.9 Ų | 147.9 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -144.1 | 60.8 | -166.6 | -143.7 | 172.7 | -152.7 | 0 | 0 | 110.5 | S33 | S33-E35 PolarHBondContact O-N 3.03Š| ||
| 36 | A | 40.5 | Very low | 45.1 | Very low | 87 Ų | 87 | 146.7 Ų | 146.7 | 72% | 0.719 | 80% | 0.795 | S | S | * | * | trans | -151.1 | 23.4 | 173 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 37 | L | 40.9 | Very low | 45 | Very low | 186 Ų | 186 | 147.5 Ų | 147.5 | 97% | 0.974 | 80% | 0.796 | S | S | * | * | trans | -103 | 57.7 | 175 | -64.9 | -179 | 0 | 0 | 0 | 111.8 | ||||
| 38 | S | 45.3 | Very low | 44.4 | Very low | 98 Ų | 98 | 146.7 Ų | 146.7 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -149.5 | 129 | 159.3 | 61.5 | 0 | 0 | 0 | 0 | 109.1 | ||
| 39 | E | 41.2 | Very low | 44.1 | Very low | 188 Ų | 188 | 148.7 Ų | 148.7 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | 71.6 | 92.8 | 178.4 | -59 | -178.9 | 137.9 | 0 | 0 | 115.3 | ||||
| 40 | V | 43.6 | Very low | 43.6 | Very low | 146 Ų | 146 | 148.6 Ų | 148.6 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | -159.2 | 127.3 | 120.4 | 163.3 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 41 | K | 44.5 | Very low | 43.3 | Very low | 193 Ų | 193 | 149.7 Ų | 149.7 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -64.5 | 118.9 | 175.3 | -165.9 | 172 | -174.1 | 175.9 | 0 | 109.8 | ||||
| 42 | S | 43.5 | Very low | 43 | Very low | 111 Ų | 111 | 146 Ų | 146 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -59.7 | 140.5 | 169.1 | 48.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 43 | P | 39.9 | Very low | 42.9 | Very low | 116 Ų | 116 | 146.1 Ų | 146.1 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | -141.9 | 141.6 | 114.5 | 33.5 | -17.7 | 0 | 0 | 0 | 115 | |||||
| 44 | A | 38.8 | Very low | 42.4 | Very low | 96 Ų | 96 | 150.9 Ų | 150.9 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | trans | 51.6 | 111.8 | 148.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 45 | F | 46.5 | Very low | 42.1 | Very low | 218 Ų | 218 | 145.2 Ų | 145.2 | 96% | 0.956 | 80% | 0.803 | S | S | * | * | trans | -112.5 | 118.2 | 154.2 | -102.6 | -89.6 | 0 | 0 | 0 | 109.8 | ||||
| 46 | D | 47.9 | Very low | 42.1 | Very low | 132 Ų | 132 | 145 Ų | 145 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | -92.7 | 124.3 | 167.8 | -110.6 | -41.6 | 0 | 0 | 0 | 109.2 | ||||
| 47 | K | 48.1 | Very low | 42 | Very low | 168 Ų | 168 | 144.7 Ų | 144.7 | 73% | 0.73 | 80% | 0.799 | S | S | * | * | trans | 52.5 | 130 | 140.8 | -62.7 | 174.8 | -172 | 170.2 | 0 | 122.6 | ||||
| 48 | N | 40 | Very low | 42.2 | Very low | 140 Ų | 140 | 142.8 Ų | 142.8 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | trans | 76.4 | 147.5 | 139.3 | 90.1 | 15.2 | 0 | 0 | 0 | 116.1 | ||||
| 49 | E | 42.4 | Very low | 42.3 | Very low | 169 Ų | 169 | 146.7 Ų | 146.7 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | cis | -147.7 | 136.8 | 21.9 | -101 | 171.2 | 163.3 | 0 | 0 | 110.5 | ||||
| 50 | N | 41.9 | Very low | 42.4 | Very low | 145 Ų | 145 | 144.1 Ų | 144.1 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | trans | 36.2 | 114 | 131.8 | -150.2 | 6 | 0 | 0 | 0 | 120.4 | ||||
| 51 | I | 42.3 | Very low | 42.7 | Very low | 166 Ų | 166 | 143.7 Ų | 143.7 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | trans | -159.9 | 121.8 | 131 | -80.8 | 129.2 | 0 | 0 | 0 | 107.4 | ||||
| 52 | S | 40.2 | Very low | 42.3 | Very low | 105 Ų | 105 | 138.4 Ų | 138.4 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | -113.5 | 158.2 | 155.3 | -72.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 53 | P | 40.5 | Very low | 42.5 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | -142 | 156.1 | 102 | 27 | -7.3 | 0 | 0 | 0 | 115.9 | |||||
| 54 | Q | 34.2 | Very low | 42.6 | Very low | 192 Ų | 192 | 141.9 Ų | 141.9 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | trans | -52 | 152.8 | 176 | -72 | 159.4 | -112.2 | 0 | 0 | 116.3 | ||||
| 55 | A | 40.2 | Very low | 43 | Very low | 85 Ų | 85 | 144 Ų | 144 | 70% | 0.702 | 78% | 0.781 | S | S | * | * | trans | -165.5 | 122.1 | 135.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 56 | E | 41.8 | Very low | 42.5 | Very low | 178 Ų | 178 | 141.4 Ų | 141.4 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | 54 | 101.6 | 151.8 | -38 | -63.8 | 120.7 | 0 | 0 | 118.9 | ||||
| 57 | A | 39.1 | Very low | 42.2 | Very low | 80 Ų | 80 | 140.1 Ų | 140.1 | 66% | 0.661 | 78% | 0.778 | S | S | * | * | 59.7 | 97.9 | 86.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 58 | D | 45 | Very low | 41.9 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | 177.7 | 127.4 | 118.1 | -85 | -17.2 | 0 | 0 | 0 | 111.8 | |||||
| 59 | E | 46.1 | Very low | 41.9 | Very low | 180 Ų | 180 | 142.7 Ų | 142.7 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | 46.3 | 121.2 | 143.2 | -49.9 | -167.1 | 169.9 | 0 | 0 | 119.6 | ||||
| 60 | D | 43.3 | Very low | 41.9 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | 140.7 | 129 | 115.6 | -159.3 | 28.2 | 0 | 0 | 0 | 114.6 | |||||
| 61 | M | 50.5 | Low | 41.9 | Very low | 138 Ų | 138 | 143.4 Ų | 143.4 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | trans | 58.8 | 94.5 | 170.4 | -54.5 | -43 | -170.1 | 0 | 0 | 120.1 | D63 | M61-D63 PolarHBondContact O-N 2.95Š| ||
| 62 | G | 35.4 | Very low | 42.2 | Very low | 81 Ų | 81 | 141.2 Ų | 141.2 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | -69.8 | 113.9 | 139.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 63 | D | 47.6 | Very low | 42.1 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | trans | -122.9 | 103.3 | 157.9 | -75.5 | -27.9 | 0 | 0 | 0 | 105.1 | M61 | M61-D63 PolarHBondContact O-N 2.95Š| ||
| 64 | E | 42.3 | Very low | 42.1 | Very low | 170 Ų | 170 | 143 Ų | 143 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | 63.6 | 93.1 | 92.9 | -166 | 176.3 | -158.4 | 0 | 0 | 112.1 | |||||
| 65 | V | 48.3 | Very low | 42.7 | Very low | 141 Ų | 141 | 140 Ų | 140 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | -158.1 | 64.7 | 139.1 | -82.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 66 | D | 36.4 | Very low | 43.1 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | trans | -110.3 | 82.2 | 166.1 | -151.2 | 14.1 | 0 | 0 | 0 | 106.5 | ||||
| 67 | S | 40 | Very low | 43.5 | Very low | 104 Ų | 104 | 140 Ų | 140 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 170.6 | 71 | 161.8 | 50.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 68 | M | 43.2 | Very low | 43.4 | Very low | 191 Ų | 191 | 140.3 Ų | 140.3 | 94% | 0.941 | 78% | 0.782 | S | S | * | * | trans | -139.3 | 53.5 | 152.1 | -74.2 | -162.4 | 94.6 | 0 | 0 | 110.5 | D70 | M68-D70 VanDerWaalsContact C-N 3.35Š| ||
| 69 | L | 40 | Very low | 43.4 | Very low | 171 Ų | 171 | 141.9 Ų | 141.9 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | trans | -101.3 | 70.6 | 155.5 | -112.3 | 159.8 | 0 | 0 | 0 | 106.6 | ||||
| 70 | D | 42.4 | Very low | 43.1 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | -71.2 | 133.4 | 170.2 | -167.2 | 17 | 0 | 0 | 0 | 109.1 | M68 S72 | M68-D70 VanDerWaalsContact C-N 3.35Å; D70-S72 PolarHBondContact O-N 3.39Å | ||
| 71 | K | 42.2 | Very low | 43 | Very low | 185 Ų | 185 | 140.2 Ų | 140.2 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -79.5 | 96.5 | -166.9 | -63.2 | 171.2 | 178.8 | 175.7 | 0 | 107.9 | E73 | K71-E73 PolarHBondContact O-N 3.18Š| ||
| 72 | S | 47.4 | Very low | 42.7 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -76.9 | 87.5 | 157.6 | 54.2 | 0 | 0 | 0 | 0 | 108.9 | D70 V74 | D70-S72 PolarHBondContact O-N 3.39Å; S72-V74 PolarHBondContact O-N 2.63Å | ||
| 73 | E | 39 | Very low | 43.1 | Very low | 152 Ų | 152 | 145.6 Ų | 145.6 | 71% | 0.71 | 80% | 0.798 | S | S | * | * | trans | -32.9 | 110.7 | 163.4 | -156.1 | 165.5 | -145.9 | 0 | 0 | 112.3 | K71 N75 | K71-E73 PolarHBondContact O-N 3.18Å; E73-N75 VanDerWaalsContact C-N 3.3Å; E73-N75 PolarHBondContact O-N 3.14Å | ||
| 74 | V | 40.3 | Very low | 42.8 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 72% | 0.715 | 80% | 0.802 | S | S | * | * | trans | -71.3 | 90 | 165.1 | 176.9 | 0 | 0 | 0 | 0 | 107 | S72 N76 | S72-V74 PolarHBondContact O-N 2.63Å; V74-N76 VanDerWaalsContact C-N 3.33Å; V74-N76 WeakPolarHBondContact CG1-ND2 3.39Å; V74-N76 PolarHBondContact O-N 3.4Å | ||
| 75 | N | 47.4 | Very low | 43 | Very low | 129 Ų | 129 | 146.5 Ų | 146.5 | 69% | 0.69 | 81% | 0.806 | S | S | * | * | trans | -74.5 | 86.7 | 168.5 | -87.1 | -41.6 | 0 | 0 | 0 | 109.6 | E73 | E73-N75 VanDerWaalsContact C-N 3.3Å; E73-N75 PolarHBondContact O-N 3.14Å | ||
| 76 | N | 46.7 | Very low | 42.9 | Very low | 133 Ų | 133 | 144.6 Ų | 144.6 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | -95.8 | 110.8 | 161.9 | -78.5 | -29.5 | 0 | 0 | 0 | 108.4 | V74 A78 | V74-N76 VanDerWaalsContact C-N 3.33Å; V74-N76 WeakPolarHBondContact CG1-ND2 3.39Å; V74-N76 PolarHBondContact O-N 3.4Å; N76-A78 PolarHBondContact O-N 2.92Å | ||
| 77 | P | 50.3 | Low | 43.1 | Very low | 130 Ų | 130 | 141.7 Ų | 141.7 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | trans | -75.3 | 99.6 | 172 | 29.4 | -29.6 | 0 | 0 | 0 | 109 | ||||
| 78 | A | 38.3 | Very low | 43.2 | Very low | 85 Ų | 85 | 144.8 Ų | 144.8 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | trans | -92.3 | 124.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 108 | N76 | N76-A78 PolarHBondContact O-N 2.92Š| ||
| 79 | I | 45.3 | Very low | 43.1 | Very low | 179 Ų | 179 | 142 Ų | 142 | 92% | 0.918 | 79% | 0.786 | S | S | * | * | trans | 139.7 | 126.6 | 167.5 | -77.5 | 153.8 | 0 | 0 | 0 | 106.7 | ||||
| 80 | G | 38.7 | Very low | 43.3 | Very low | 66 Ų | 66 | 142.3 Ų | 142.3 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | cis | -155.8 | 160.6 | 9.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | D82 | G80-D82 PolarHBondContact O-N 2.96Š| ||
| 81 | K | 41.7 | Very low | 43.4 | Very low | 213 Ų | 213 | 137.6 Ų | 137.6 | 93% | 0.926 | 77% | 0.766 | S | S | * | * | trans | -65.9 | 119.1 | 170.8 | -62.2 | 173.7 | 178.7 | 178.7 | 0 | 107.7 | ||||
| 82 | D | 43.2 | Very low | 43.9 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | -150.4 | 152.5 | 148 | -133.1 | -13.1 | 0 | 0 | 0 | 111.2 | G80 | G80-D82 PolarHBondContact O-N 2.96Š| ||
| 83 | E | 44.4 | Very low | 44.3 | Very low | 176 Ų | 176 | 139.4 Ų | 139.4 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | -83.6 | 144.3 | -148.2 | -61.1 | 175.6 | 152.1 | 0 | 0 | 114.7 | ||||
| 84 | N | 40.7 | Very low | 45.6 | Very low | 145 Ų | 145 | 138.1 Ų | 138.1 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | trans | 67.5 | 88.3 | 135.6 | -157.7 | -5.9 | 0 | 0 | 0 | 119.5 | ||||
| 85 | I | 47.4 | Very low | 47 | Very low | 174 Ų | 174 | 139.6 Ų | 139.6 | 89% | 0.892 | 75% | 0.754 | S | S | * | * | trans | -137.4 | 112.9 | 141 | -55.5 | -178.8 | 0 | 0 | 0 | 109.8 | ||||
| 86 | S | 45.2 | Very low | 48.5 | Very low | 100 Ų | 100 | 135.5 Ų | 135.5 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | trans | -63 | 154.6 | 176.4 | -164.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 87 | P | 41.9 | Very low | 50.2 | Low | 104 Ų | 104 | 136.1 Ų | 136.1 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | trans | -91.7 | 126.3 | -148.8 | 33.9 | -30.3 | 0 | 0 | 0 | 113.7 | V89 | P87-V89 PolarHBondContact O-N 3.17Š| ||
| 88 | Q | 42.1 | Very low | 51.8 | Low | 168 Ų | 168 | 134.7 Ų | 134.7 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | trans | -77.1 | 105.7 | 162.7 | -85.4 | -162.8 | 26.2 | 0 | 0 | 110.4 | K90 | Q88-K90 PolarHBondContact O-N 3.01Å; Q88-K90 VanDerWaalsContact O-N 3.12Å | ||
| 89 | V | 39.4 | Very low | 54.1 | Low | 133 Ų | 133 | 135.1 Ų | 135.1 | 81% | 0.806 | 71% | 0.712 | S | S | * | * | trans | -70.3 | 90.1 | 166 | 177.5 | 0 | 0 | 0 | 0 | 108.5 | P87 | P87-V89 PolarHBondContact O-N 3.17Š| ||
| 90 | K | 44.8 | Very low | 56.1 | Low | 178 Ų | 178 | 127.8 Ų | 127.8 | 77% | 0.774 | 68% | 0.681 | S | S | * | * | trans | -141.4 | 118.3 | 161 | -82.4 | -174 | 176.5 | 177.6 | 0 | 108.6 | Q88 | Q88-K90 PolarHBondContact O-N 3.01Å; Q88-K90 VanDerWaalsContact O-N 3.12Å | ||
| 91 | G | 45.6 | Very low | 58.5 | Low | 46 Ų | 46 | 127 Ų | 127 | 47% | 0.474 | 67% | 0.665 | S | S | . | * | trans | 85.2 | 72.7 | 171 | 0 | 0 | 0 | 0 | 0 | 115.9 | E93 | G91-E93 PolarHBondContact O-N 3.09Š| ||
| 92 | H | 51.5 | Low | 60.8 | Low | 177 Ų | 177 | 121.9 Ų | 121.9 | 82% | 0.819 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -14.9 | 172.2 | -156.7 | -78.4 | 0 | 0 | 0 | 112.8 | ||
| 93 | E | 57.4 | Low | 63.2 | Low | 165 Ų | 165 | 119.4 Ų | 119.4 | 77% | 0.771 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -28.9 | -178.8 | -66.7 | 177.4 | 173.9 | 0 | 0 | 113.5 | G91 G96 H97 | G91-E93 PolarHBondContact O-N 3.09Å; E93-G96 PolarHBondContact O-N 3.02Å; E93-H97 PolarHBondContact O-N 3.44Å; E93-H97 PolarHBondContact O-ND1 3.38Å |
| 94 | D | 65.1 | Low | 65.5 | Low | 124 Ų | 124 | 116.5 Ų | 116.5 | 66% | 0.663 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -76.2 | -40.3 | -176 | -165.2 | 21 | 0 | 0 | 0 | 111.8 | G96 H97 E98 | D94-G96 PolarHBondContact O-N 3.26Å; D94-H97 PolarHBondContact O-N 3.49Å; D94-H97 VanDerWaalsContact O-N 3.16Å; D94-E98 PolarHBondContact O-N 3.15Å |
| 95 | R | 71 | Confident | 68.1 | Low | 150 Ų | 150 | 116 Ų | 116 | 57% | 0.566 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -60 | -33.4 | 172.7 | -120.7 | -174.4 | -64.8 | -131.6 | -3.2 | 112.6 | I99 | R95-I99 WeakPolarHBondContact O-CB 3.38Å; R95-I99 WeakPolarHBondContact O-CD1 3.37Å; R95-I99 WeakPolarHBondContact O-CG1 3.47Å; R95-I99 PolarHBondContact O-N 3.27Å |
| 96 | G | 77.3 | Confident | 70.3 | Confident | 43 Ų | 43 | 110.1 Ų | 110.1 | 44% | 0.443 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.7 | -41.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E93 D94 G100 | E93-G96 PolarHBondContact O-N 3.02Å; D94-G96 PolarHBondContact O-N 3.26Å; G96-G100 PolarHBondContact O-N 3.46Å |
| 97 | H | 82.2 | Confident | 72.6 | Confident | 145 Ų | 145 | 107.1 Ų | 107.1 | 67% | 0.671 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.6 | -41.9 | 175.4 | -77.1 | 81.6 | 0 | 0 | 0 | 111.9 | E93 D94 G100 S101 | E93-H97 PolarHBondContact O-N 3.44Å; E93-H97 PolarHBondContact O-ND1 3.38Å; D94-H97 PolarHBondContact O-N 3.49Å; D94-H97 VanDerWaalsContact O-N 3.16Å; H97-G100 PolarHBondContact O-N 3.4Å; H97-S101 WeakPolarHBondContact O-CB 3.48Å; H97-S101 PolarHBondContact O-N 2.98Å |
| 98 | E | 84.3 | Confident | 75.2 | Confident | 101 Ų | 101 | 106.8 Ų | 106.8 | 47% | 0.472 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.2 | -51.6 | 175.8 | -175.4 | 179 | -170.9 | 0 | 0 | 111.4 | D94 G100 S101 M102 | D94-E98 PolarHBondContact O-N 3.15Å; E98-G100 VanDerWaalsContact C-N 3.33Å; E98-G100 PolarHBondContact O-N 3.44Å; E98-S101 PolarHBondContact O-N 2.99Å; E98-S101 PolarHBondContact O-OG 2.97Å; E98-M102 HydrophobicContact CG-CE 3.63Å; E98-M102 HydrophobicContact CG-SD 4.32Å; E98-M102 WeakPolarHBondContact O-CG 3.22Å; E98-M102 PolarHBondContact O-N 2.98Å; E98-M102 WeakPolarHBondContact OE1-CE 3.4Å |
| 99 | I | 86.4 | Confident | 77.7 | Confident | 93 Ų | 93 | 103 Ų | 103 | 48% | 0.477 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 177.6 | -67.5 | 165.6 | 0 | 0 | 0 | 110.9 | R95 S101 M102 L103 | R95-I99 WeakPolarHBondContact O-CB 3.38Å; R95-I99 WeakPolarHBondContact O-CD1 3.37Å; R95-I99 WeakPolarHBondContact O-CG1 3.47Å; R95-I99 PolarHBondContact O-N 3.27Å; I99-S101 PolarHBondContact O-N 2.95Å; I99-M102 PolarHBondContact O-N 3.15Å; I99-L103 HydrophobicContact CG2-CD1 3.99Å; I99-L103 HydrophobicContact CG2-CG 4.36Å; I99-L103 WeakPolarHBondContact O-CB 3.49Å; I99-L103 WeakPolarHBondContact O-CG 3.47Å; I99-L103 PolarHBondContact O-N 3.17Å |
| 100 | G | 87.7 | Confident | 80.5 | Confident | 26 Ų | 26 | 101.4 Ų | 101.4 | 27% | 0.268 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -57.2 | -48.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | G96 H97 E98 M102 L103 D104 | G96-G100 PolarHBondContact O-N 3.46Å; H97-G100 PolarHBondContact O-N 3.4Å; E98-G100 VanDerWaalsContact C-N 3.33Å; E98-G100 PolarHBondContact O-N 3.44Å; G100-M102 VanDerWaalsContact C-N 3.31Å; G100-M102 PolarHBondContact O-N 2.94Å; G100-L103 PolarHBondContact O-N 3.01Å; G100-D104 PolarHBondContact O-N 3.33Å |
| 101 | S | 89.1 | Confident | 83 | Confident | 50 Ų | 50 | 100 Ų | 100 | 35% | 0.35 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.1 | -33.4 | 178.4 | 78.9 | 0 | 0 | 0 | 0 | 113.5 | H97 E98 I99 K105 | H97-S101 WeakPolarHBondContact O-CB 3.48Å; H97-S101 PolarHBondContact O-N 2.98Å; E98-S101 PolarHBondContact O-N 2.99Å; E98-S101 PolarHBondContact O-OG 2.97Å; I99-S101 PolarHBondContact O-N 2.95Å; S101-K105 VanDerWaalsContact O-CG 3.25Å; S101-K105 WeakPolarHBondContact O-CG 3.4Å; S101-K105 PolarHBondContact O-N 3.39Å; S101-K105 VanDerWaalsContact O-N 3.16Å |
| 102 | M | 90.7 | Very high | 85.4 | Confident | 104 Ų | 104 | 103.1 Ų | 103.1 | 51% | 0.512 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.3 | -40.7 | 174.7 | -71.3 | 179.3 | 178.6 | 0 | 0 | 111.2 | E98 I99 G100 S106 | E98-M102 HydrophobicContact CG-CE 3.63Å; E98-M102 HydrophobicContact CG-SD 4.32Å; E98-M102 WeakPolarHBondContact O-CG 3.22Å; E98-M102 PolarHBondContact O-N 2.98Å; E98-M102 WeakPolarHBondContact OE1-CE 3.4Å; I99-M102 PolarHBondContact O-N 3.15Å; G100-M102 VanDerWaalsContact C-N 3.31Å; G100-M102 PolarHBondContact O-N 2.94Å; M102-S106 WeakPolarHBondContact O-CB 3.5Å; M102-S106 PolarHBondContact O-N 2.74Å |
| 103 | L | 93.7 | Very high | 87.6 | Confident | 106 Ų | 106 | 99.1 Ų | 99.1 | 56% | 0.555 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.8 | -44 | 175.6 | -72.9 | 172.4 | 0 | 0 | 0 | 111.6 | I99 G100 K105 S106 G107 | I99-L103 HydrophobicContact CG2-CD1 3.99Å; I99-L103 HydrophobicContact CG2-CG 4.36Å; I99-L103 WeakPolarHBondContact O-CB 3.49Å; I99-L103 WeakPolarHBondContact O-CG 3.47Å; I99-L103 PolarHBondContact O-N 3.17Å; G100-L103 PolarHBondContact O-N 3.01Å; L103-K105 PolarHBondContact O-N 2.96Å; L103-S106 WeakPolarHBondContact CA-OG 3.48Å; L103-S106 PolarHBondContact O-N 3.4Å; L103-S106 VanDerWaalsContact O-N 3.17Å; L103-S106 PolarHBondContact O-OG 3.12Å; L103-G107 PolarHBondContact O-N 3.44Å |
| 104 | D | 92.4 | Very high | 89.5 | Confident | 115 Ų | 115 | 95.9 Ų | 95.9 | 62% | 0.615 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.9 | -46.9 | 176.8 | -71.5 | -19.3 | 0 | 0 | 0 | 111.3 | G100 S106 G107 D108 | G100-D104 PolarHBondContact O-N 3.33Å; D104-S106 VanDerWaalsContact C-N 3.33Å; D104-S106 PolarHBondContact O-N 2.93Å; D104-G107 PolarHBondContact O-N 3.39Å; D104-G107 VanDerWaalsContact O-N 3.14Å; D104-D108 PolarHBondContact O-N 3.29Å |
| 105 | K | 94.2 | Very high | 91.1 | Very high | 134 Ų | 134 | 93.6 Ų | 93.6 | 58% | 0.583 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58.3 | -43.9 | 173.8 | -73.1 | 170.1 | -175.8 | 173.3 | 0 | 112.1 | S101 L103 G107 D108 D109 | S101-K105 VanDerWaalsContact O-CG 3.25Å; S101-K105 WeakPolarHBondContact O-CG 3.4Å; S101-K105 PolarHBondContact O-N 3.39Å; S101-K105 VanDerWaalsContact O-N 3.16Å; L103-K105 PolarHBondContact O-N 2.96Å; K105-G107 VanDerWaalsContact C-N 3.32Å; K105-G107 PolarHBondContact O-N 2.99Å; K105-D108 PolarHBondContact O-N 2.89Å; K105-D109 PolarHBondContact O-N 3.07Å |
| 106 | S | 93.5 | Very high | 92.4 | Very high | 51 Ų | 51 | 92 Ų | 92 | 36% | 0.357 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64 | -38.1 | 176.8 | 78 | 0 | 0 | 0 | 0 | 112 | M102 L103 D104 D109 I110 | M102-S106 WeakPolarHBondContact O-CB 3.5Å; M102-S106 PolarHBondContact O-N 2.74Å; L103-S106 WeakPolarHBondContact CA-OG 3.48Å; L103-S106 PolarHBondContact O-N 3.4Å; L103-S106 VanDerWaalsContact O-N 3.17Å; L103-S106 PolarHBondContact O-OG 3.12Å; D104-S106 VanDerWaalsContact C-N 3.33Å; D104-S106 PolarHBondContact O-N 2.93Å; S106-D109 PolarHBondContact O-N 3.07Å; S106-I110 WeakPolarHBondContact O-CB 3.46Å; S106-I110 WeakPolarHBondContact O-CD1 3.5Å; S106-I110 WeakPolarHBondContact O-CG1 3.48Å; S106-I110 PolarHBondContact O-N 3.18Å |
| 107 | G | 95 | Very high | 93.4 | Very high | 36 Ų | 36 | 95.9 Ų | 95.9 | 37% | 0.371 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L103 D104 K105 I110 Y111 | L103-G107 PolarHBondContact O-N 3.44Å; D104-G107 PolarHBondContact O-N 3.39Å; D104-G107 VanDerWaalsContact O-N 3.14Å; K105-G107 VanDerWaalsContact C-N 3.32Å; K105-G107 PolarHBondContact O-N 2.99Å; G107-I110 PolarHBondContact O-N 3.35Å; G107-Y111 WeakPolarHBondContact O-CB 3.44Å; G107-Y111 PolarHBondContact O-N 2.97Å |
| 108 | D | 95.5 | Very high | 94.1 | Very high | 97 Ų | 97 | 95 Ų | 95 | 52% | 0.519 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 174.6 | -81.2 | -12.3 | 0 | 0 | 0 | 112.1 | D104 K105 Y111 K112 | D104-D108 PolarHBondContact O-N 3.29Å; K105-D108 PolarHBondContact O-N 2.89Å; D108-Y111 PolarHBondContact O-N 3.48Å; D108-K112 VanDerWaalsContact O-CG 3.27Å; D108-K112 WeakPolarHBondContact O-CG 3.49Å; D108-K112 PolarHBondContact O-N 3.28Å |
| 109 | D | 95.9 | Very high | 94.8 | Very high | 89 Ų | 89 | 95.1 Ų | 95.1 | 48% | 0.476 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.1 | -37.9 | 179.5 | -71.2 | -17.3 | 0 | 0 | 0 | 111.9 | K105 S106 K112 T113 | K105-D109 PolarHBondContact O-N 3.07Å; S106-D109 PolarHBondContact O-N 3.07Å; D109-K112 IonicContact OD1-NZ 3.48Å; D109-K112 PolarHBondContact OD1-NZ 3.44Å; D109-T113 WeakPolarHBondContact O-CB 3.46Å; D109-T113 PolarHBondContact O-N 3.44Å; D109-T113 PolarHBondContact O-OG1 3.36Å |
| 110 | I | 96.6 | Very high | 95.3 | Very high | 100 Ų | 100 | 96.5 Ų | 96.5 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61 | -47.9 | 170.4 | -70.3 | 163.8 | 0 | 0 | 0 | 110.1 | S106 G107 T113 L114 | S106-I110 WeakPolarHBondContact O-CB 3.46Å; S106-I110 WeakPolarHBondContact O-CD1 3.5Å; S106-I110 WeakPolarHBondContact O-CG1 3.48Å; S106-I110 PolarHBondContact O-N 3.18Å; G107-I110 PolarHBondContact O-N 3.35Å; I110-T113 PolarHBondContact O-N 3.14Å; I110-L114 HydrophobicContact CG2-CD1 3.9Å; I110-L114 HydrophobicContact CG2-CG 4.34Å; I110-L114 WeakPolarHBondContact O-CB 3.48Å; I110-L114 WeakPolarHBondContact O-CG 3.41Å; I110-L114 PolarHBondContact O-N 3.42Å |
| 111 | Y | 97.2 | Very high | 95.8 | Very high | 148 Ų | 148 | 100 Ų | 100 | 58% | 0.58 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.1 | -46.4 | -179.9 | 178.4 | -97.3 | 0 | 0 | 0 | 112 | G107 D108 T113 L114 H115 | G107-Y111 WeakPolarHBondContact O-CB 3.44Å; G107-Y111 PolarHBondContact O-N 2.97Å; D108-Y111 PolarHBondContact O-N 3.48Å; Y111-T113 PolarHBondContact O-N 2.86Å; Y111-L114 PolarHBondContact O-N 2.96Å; Y111-H115 WeakPolarHBondContact O-CB 3.45Å; Y111-H115 PolarHBondContact O-N 3.07Å |
| 112 | K | 97.5 | Very high | 96.3 | Very high | 112 Ų | 112 | 101.9 Ų | 101.9 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 175.3 | -71.6 | 168.4 | -165.5 | 159.4 | 0 | 111.5 | D108 D109 L114 H115 I116 | D108-K112 VanDerWaalsContact O-CG 3.27Å; D108-K112 WeakPolarHBondContact O-CG 3.49Å; D108-K112 PolarHBondContact O-N 3.28Å; D109-K112 IonicContact OD1-NZ 3.48Å; D109-K112 PolarHBondContact OD1-NZ 3.44Å; K112-L114 PolarHBondContact O-N 3.21Å; K112-H115 PolarHBondContact O-N 3.49Å; K112-I116 WeakPolarHBondContact O-CG1 3.46Å; K112-I116 PolarHBondContact O-N 3.26Å |
| 113 | T | 97.2 | Very high | 96.6 | Very high | 92 Ų | 92 | 100.1 Ų | 100.1 | 56% | 0.564 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.7 | -45.1 | 179.2 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | D109 I110 Y111 H115 I116 K117 | D109-T113 WeakPolarHBondContact O-CB 3.46Å; D109-T113 PolarHBondContact O-N 3.44Å; D109-T113 PolarHBondContact O-OG1 3.36Å; I110-T113 PolarHBondContact O-N 3.14Å; Y111-T113 PolarHBondContact O-N 2.86Å; T113-H115 VanDerWaalsContact C-N 3.34Å; T113-H115 PolarHBondContact O-N 2.87Å; T113-I116 PolarHBondContact O-N 3.23Å; T113-K117 WeakPolarHBondContact O-CB 3.41Å; T113-K117 PolarHBondContact O-N 3.16Å |
| 114 | L | 98 | Very high | 96.8 | Very high | 98 Ų | 98 | 102.4 Ų | 102.4 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 175.5 | -72.9 | 175.8 | 0 | 0 | 0 | 112.2 | I110 Y111 K112 K117 R118 | I110-L114 HydrophobicContact CG2-CD1 3.9Å; I110-L114 HydrophobicContact CG2-CG 4.34Å; I110-L114 WeakPolarHBondContact O-CB 3.48Å; I110-L114 WeakPolarHBondContact O-CG 3.41Å; I110-L114 PolarHBondContact O-N 3.42Å; Y111-L114 PolarHBondContact O-N 2.96Å; K112-L114 PolarHBondContact O-N 3.21Å; L114-K117 PolarHBondContact O-N 3.43Å; L114-R118 WeakPolarHBondContact O-CB 3.41Å; L114-R118 PolarHBondContact O-N 2.92Å |
| 115 | H | 97.7 | Very high | 97 | Very high | 75 Ų | 75 | 101.2 Ų | 101.2 | 35% | 0.347 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 176.7 | -169.5 | 80.3 | 0 | 0 | 0 | 111.9 | Y111 K112 T113 R118 K119 | Y111-H115 WeakPolarHBondContact O-CB 3.45Å; Y111-H115 PolarHBondContact O-N 3.07Å; K112-H115 PolarHBondContact O-N 3.49Å; T113-H115 VanDerWaalsContact C-N 3.34Å; T113-H115 PolarHBondContact O-N 2.87Å; H115-R118 PolarHBondContact O-N 3.34Å; H115-K119 PolarHBondContact O-N 3.21Å |
| 116 | I | 98.1 | Very high | 97.2 | Very high | 116 Ų | 116 | 102.6 Ų | 102.6 | 60% | 0.595 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.1 | -48.5 | 175.1 | -67.8 | 165.4 | 0 | 0 | 0 | 110.4 | K112 T113 R118 K119 L120 | K112-I116 WeakPolarHBondContact O-CG1 3.46Å; K112-I116 PolarHBondContact O-N 3.26Å; T113-I116 PolarHBondContact O-N 3.23Å; I116-R118 VanDerWaalsContact C-N 3.31Å; I116-R118 PolarHBondContact O-N 2.94Å; I116-K119 PolarHBondContact O-N 3.42Å; I116-L120 PolarHBondContact O-N 3.47Å |
| 117 | K | 98.2 | Very high | 97.4 | Very high | 126 Ų | 126 | 106.2 Ų | 106.2 | 55% | 0.548 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59 | -42.2 | 178.4 | -168.9 | -176.9 | 177 | 179.6 | 0 | 111.6 | T113 L114 L120 M121 | T113-K117 WeakPolarHBondContact O-CB 3.41Å; T113-K117 PolarHBondContact O-N 3.16Å; L114-K117 PolarHBondContact O-N 3.43Å; K117-L120 PolarHBondContact O-N 3.18Å; K117-M121 HydrophobicContact CD-CE 4.49Å; K117-M121 HydrophobicContact CG-CE 4Å; K117-M121 WeakPolarHBondContact O-CE 3.38Å; K117-M121 WeakPolarHBondContact O-CG 3.3Å; K117-M121 PolarHBondContact O-N 2.94Å |
| 118 | R | 98.1 | Very high | 97.4 | Very high | 127 Ų | 127 | 106 Ų | 106 | 48% | 0.479 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.9 | -50.2 | 174.9 | -177.1 | -172.2 | -61.8 | 149.5 | 2.9 | 111.2 | L114 H115 I116 L120 M121 E122 | L114-R118 WeakPolarHBondContact O-CB 3.41Å; L114-R118 PolarHBondContact O-N 2.92Å; H115-R118 PolarHBondContact O-N 3.34Å; I116-R118 VanDerWaalsContact C-N 3.31Å; I116-R118 PolarHBondContact O-N 2.94Å; R118-L120 VanDerWaalsContact C-N 3.3Å; R118-L120 PolarHBondContact O-N 3.32Å; R118-M121 PolarHBondContact O-N 3.31Å; R118-E122 WeakPolarHBondContact CD-OE1 3.49Å; R118-E122 HydrophobicContact CG-CG 4.39Å; R118-E122 VanDerWaalsContact CG-OE1 3.32Å; R118-E122 WeakPolarHBondContact CG-OE1 3.47Å; R118-E122 WeakPolarHBondContact O-CG 3.39Å; R118-E122 PolarHBondContact O-N 3.39Å |
| 119 | K | 98.2 | Very high | 97.5 | Very high | 103 Ų | 103 | 107.1 Ų | 107.1 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60 | -39.9 | 179 | -76.4 | -74.1 | 162.4 | -146.2 | 0 | 112.4 | H115 I116 E122 T123 | H115-K119 PolarHBondContact O-N 3.21Å; I116-K119 PolarHBondContact O-N 3.42Å; K119-E122 IonicContact NZ-OE2 2.77Å; K119-E122 PolarHBondContact NZ-OE2 3.04Å; K119-T123 PolarHBondContact O-N 3.3Å; K119-T123 PolarHBondContact O-OG1 3.48Å; K119-T123 VanDerWaalsContact O-OG1 3.05Å |
| 120 | L | 97.9 | Very high | 97.6 | Very high | 122 Ų | 122 | 109.3 Ų | 109.3 | 64% | 0.639 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.6 | -46.1 | 174.9 | -175.9 | 65.2 | 0 | 0 | 0 | 111.9 | I116 K117 R118 T123 Y124 | I116-L120 PolarHBondContact O-N 3.47Å; K117-L120 PolarHBondContact O-N 3.18Å; R118-L120 VanDerWaalsContact C-N 3.3Å; R118-L120 PolarHBondContact O-N 3.32Å; L120-T123 PolarHBondContact O-N 2.98Å; L120-Y124 WeakPolarHBondContact O-CB 3.36Å; L120-Y124 PolarHBondContact O-N 3.43Å |
| 121 | M | 98.2 | Very high | 97.5 | Very high | 98 Ų | 98 | 106.2 Ų | 106.2 | 48% | 0.483 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65 | -42.6 | 177.7 | -70.5 | -177.9 | -62.8 | 0 | 0 | 112.4 | K117 R118 T123 Y124 V125 | K117-M121 HydrophobicContact CD-CE 4.49Å; K117-M121 HydrophobicContact CG-CE 4Å; K117-M121 WeakPolarHBondContact O-CE 3.38Å; K117-M121 WeakPolarHBondContact O-CG 3.3Å; K117-M121 PolarHBondContact O-N 2.94Å; R118-M121 PolarHBondContact O-N 3.31Å; M121-T123 PolarHBondContact O-N 3.01Å; M121-Y124 PolarHBondContact O-N 3.46Å; M121-V125 WeakPolarHBondContact O-CB 3.45Å; M121-V125 WeakPolarHBondContact O-CG2 3.34Å; M121-V125 PolarHBondContact O-N 3.44Å |
| 122 | E | 97.8 | Very high | 97.5 | Very high | 90 Ų | 90 | 106.7 Ų | 106.7 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.3 | -47.7 | 175.3 | -75.8 | 171.3 | -170.3 | 0 | 0 | 111.2 | R118 K119 K126 | R118-E122 WeakPolarHBondContact CD-OE1 3.49Å; R118-E122 HydrophobicContact CG-CG 4.39Å; R118-E122 VanDerWaalsContact CG-OE1 3.32Å; R118-E122 WeakPolarHBondContact CG-OE1 3.47Å; R118-E122 WeakPolarHBondContact O-CG 3.39Å; R118-E122 PolarHBondContact O-N 3.39Å; K119-E122 IonicContact NZ-OE2 2.77Å; K119-E122 PolarHBondContact NZ-OE2 3.04Å; E122-K126 VanDerWaalsContact O-CB 3.3Å; E122-K126 WeakPolarHBondContact O-CB 3.25Å; E122-K126 PolarHBondContact O-N 3.34Å |
| 123 | T | 98 | Very high | 97.5 | Very high | 68 Ų | 68 | 104.6 Ų | 104.6 | 42% | 0.417 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -48 | 176.9 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | K119 L120 M121 V125 K126 E127 | K119-T123 PolarHBondContact O-N 3.3Å; K119-T123 PolarHBondContact O-OG1 3.48Å; K119-T123 VanDerWaalsContact O-OG1 3.05Å; L120-T123 PolarHBondContact O-N 2.98Å; M121-T123 PolarHBondContact O-N 3.01Å; T123-V125 PolarHBondContact O-N 2.93Å; T123-K126 PolarHBondContact O-N 2.99Å; T123-E127 HydrophobicContact CG2-CG 4.34Å; T123-E127 WeakPolarHBondContact O-CG 3.32Å; T123-E127 PolarHBondContact O-N 3.43Å |
| 124 | Y | 97.5 | Very high | 97.5 | Very high | 154 Ų | 154 | 104.8 Ų | 104.8 | 60% | 0.604 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.3 | -47.1 | 179.4 | 174.8 | -98.6 | 0 | 0 | 0 | 112.4 | L120 M121 E127 S128 | L120-Y124 WeakPolarHBondContact O-CB 3.36Å; L120-Y124 PolarHBondContact O-N 3.43Å; M121-Y124 PolarHBondContact O-N 3.46Å; Y124-E127 PolarHBondContact O-N 2.89Å; Y124-S128 WeakPolarHBondContact O-CB 3.41Å; Y124-S128 PolarHBondContact O-N 3.38Å; Y124-S128 PolarHBondContact O-OG 3.03Å |
| 125 | V | 97.9 | Very high | 97.5 | Very high | 90 Ų | 90 | 107.3 Ų | 107.3 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 178.2 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | M121 T123 S128 F129 | M121-V125 WeakPolarHBondContact O-CB 3.45Å; M121-V125 WeakPolarHBondContact O-CG2 3.34Å; M121-V125 PolarHBondContact O-N 3.44Å; T123-V125 PolarHBondContact O-N 2.93Å; V125-S128 PolarHBondContact O-N 2.91Å; V125-F129 WeakPolarHBondContact O-CB 3.38Å; V125-F129 PolarHBondContact O-N 3.34Å |
| 126 | K | 97.6 | Very high | 97.5 | Very high | 162 Ų | 162 | 108.7 Ų | 108.7 | 70% | 0.704 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.9 | -47.4 | 179.1 | -176.6 | 178.5 | -179.1 | 177.6 | 0 | 112 | E122 T123 F129 K130 | E122-K126 VanDerWaalsContact O-CB 3.3Å; E122-K126 WeakPolarHBondContact O-CB 3.25Å; E122-K126 PolarHBondContact O-N 3.34Å; T123-K126 PolarHBondContact O-N 2.99Å; K126-F129 PolarHBondContact O-N 3.26Å; K126-K130 WeakPolarHBondContact O-CB 3.49Å; K126-K130 PolarHBondContact O-N 2.95Å |
| 127 | E | 97.1 | Very high | 97.5 | Very high | 127 Ų | 127 | 107.9 Ų | 107.9 | 59% | 0.593 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67 | -42.5 | 178.6 | -71.1 | 176 | 170.6 | 0 | 0 | 111.6 | T123 Y124 F129 K130 G131 | T123-E127 HydrophobicContact CG2-CG 4.34Å; T123-E127 WeakPolarHBondContact O-CG 3.32Å; T123-E127 PolarHBondContact O-N 3.43Å; Y124-E127 PolarHBondContact O-N 2.89Å; E127-F129 VanDerWaalsContact C-N 3.34Å; E127-F129 PolarHBondContact O-N 3.08Å; E127-K130 PolarHBondContact O-N 3.4Å; E127-G131 PolarHBondContact O-N 3.08Å |
| 128 | S | 96.2 | Very high | 97.5 | Very high | 31 Ų | 31 | 110 Ų | 110 | 22% | 0.217 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -61.4 | -40.4 | 176.1 | -63.8 | 0 | 0 | 0 | 0 | 112.4 | Y124 V125 R132 | Y124-S128 WeakPolarHBondContact O-CB 3.41Å; Y124-S128 PolarHBondContact O-N 3.38Å; Y124-S128 PolarHBondContact O-OG 3.03Å; V125-S128 PolarHBondContact O-N 2.91Å; S128-R132 WeakPolarHBondContact O-CB 3.46Å; S128-R132 VanDerWaalsContact O-CG 3.29Å; S128-R132 WeakPolarHBondContact O-CG 3.36Å; S128-R132 PolarHBondContact O-N 3.45Å; S128-R132 VanDerWaalsContact O-N 3.16Å; S128-R132 PolarHBondContact O-NE 3.08Å; S128-R132 VanDerWaalsContact O-NE 3.11Å |
| 129 | F | 97.2 | Very high | 97.4 | Very high | 121 Ų | 121 | 110.6 Ų | 110.6 | 53% | 0.531 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.8 | -42.8 | 176.6 | -165.4 | -110.9 | 0 | 0 | 0 | 111.3 | V125 K126 E127 G131 R132 N133 | V125-F129 WeakPolarHBondContact O-CB 3.38Å; V125-F129 PolarHBondContact O-N 3.34Å; K126-F129 PolarHBondContact O-N 3.26Å; E127-F129 VanDerWaalsContact C-N 3.34Å; E127-F129 PolarHBondContact O-N 3.08Å; F129-G131 PolarHBondContact O-N 2.91Å; F129-R132 PolarHBondContact O-N 3.31Å; F129-N133 VanDerWaalsContact CD1-ND2 3.29Å; F129-N133 WeakPolarHBondContact CD1-ND2 3.33Å; F129-N133 WeakPolarHBondContact CE1-ND2 3.27Å; F129-N133 WeakPolarHBondContact CZ-ND2 3.4Å; F129-N133 WeakPolarHBondContact O-CB 3.37Å; F129-N133 VanDerWaalsContact O-CG 3.3Å; F129-N133 PolarHBondContact O-N 3.42Å; F129-N133 PolarHBondContact O-OD1 3.03Å |
| 130 | K | 97.3 | Very high | 97.3 | Very high | 136 Ų | 136 | 108.9 Ų | 108.9 | 59% | 0.591 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.4 | -48.8 | 175.7 | -175.4 | -178.5 | 178.7 | -174.4 | 0 | 112 | K126 E127 N133 Q134 | K126-K130 WeakPolarHBondContact O-CB 3.49Å; K126-K130 PolarHBondContact O-N 2.95Å; E127-K130 PolarHBondContact O-N 3.4Å; K130-N133 PolarHBondContact O-N 3.34Å; K130-Q134 WeakPolarHBondContact O-CG 3.37Å; K130-Q134 PolarHBondContact O-N 3.15Å |
| 131 | G | 95.8 | Very high | 97.3 | Very high | 35 Ų | 35 | 108.2 Ų | 108.2 | 36% | 0.361 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -43 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E127 F129 Q134 K135 | E127-G131 PolarHBondContact O-N 3.08Å; F129-G131 PolarHBondContact O-N 2.91Å; G131-Q134 PolarHBondContact O-N 3.35Å; G131-K135 PolarHBondContact O-N 3.03Å |
| 132 | R | 96.8 | Very high | 97.3 | Very high | 158 Ų | 158 | 108.8 Ų | 108.8 | 60% | 0.596 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.1 | -44.1 | 176.6 | -76.5 | -176.5 | -70.9 | -176.5 | 0.4 | 112.5 | S128 F129 Q134 K135 L136 | S128-R132 WeakPolarHBondContact O-CB 3.46Å; S128-R132 VanDerWaalsContact O-CG 3.29Å; S128-R132 WeakPolarHBondContact O-CG 3.36Å; S128-R132 PolarHBondContact O-N 3.45Å; S128-R132 VanDerWaalsContact O-N 3.16Å; S128-R132 PolarHBondContact O-NE 3.08Å; S128-R132 VanDerWaalsContact O-NE 3.11Å; F129-R132 PolarHBondContact O-N 3.31Å; R132-Q134 PolarHBondContact O-N 3.13Å; R132-K135 WeakPolarHBondContact O-CB 3.42Å; R132-K135 PolarHBondContact O-N 3.19Å; R132-K135 VanDerWaalsContact O-N 3.14Å; R132-L136 PolarHBondContact O-N 3.37Å |
| 133 | N | 97.3 | Very high | 97.2 | Very high | 68 Ų | 68 | 108.2 Ų | 108.2 | 36% | 0.364 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 177.7 | -72.8 | -0.4 | 0 | 0 | 0 | 111.8 | F129 K130 K135 L136 E137 | F129-N133 VanDerWaalsContact CD1-ND2 3.29Å; F129-N133 WeakPolarHBondContact CD1-ND2 3.33Å; F129-N133 WeakPolarHBondContact CE1-ND2 3.27Å; F129-N133 WeakPolarHBondContact CZ-ND2 3.4Å; F129-N133 WeakPolarHBondContact O-CB 3.37Å; F129-N133 VanDerWaalsContact O-CG 3.3Å; F129-N133 PolarHBondContact O-N 3.42Å; F129-N133 PolarHBondContact O-OD1 3.03Å; K130-N133 PolarHBondContact O-N 3.34Å; N133-K135 VanDerWaalsContact C-N 3.29Å; N133-K135 PolarHBondContact O-N 3.07Å; N133-L136 PolarHBondContact O-N 3.02Å; N133-E137 WeakPolarHBondContact O-CB 3.43Å; N133-E137 PolarHBondContact O-N 3.37Å |
| 134 | Q | 97.6 | Very high | 97.2 | Very high | 96 Ų | 96 | 109.2 Ų | 109.2 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.1 | -34.1 | 174.1 | -73.6 | 179.4 | -15.5 | 0 | 0 | 112.7 | K130 G131 R132 R138 | K130-Q134 WeakPolarHBondContact O-CG 3.37Å; K130-Q134 PolarHBondContact O-N 3.15Å; G131-Q134 PolarHBondContact O-N 3.35Å; R132-Q134 PolarHBondContact O-N 3.13Å; Q134-R138 WeakPolarHBondContact O-CB 3.36Å; Q134-R138 VanDerWaalsContact O-CG 3.31Å; Q134-R138 WeakPolarHBondContact O-CG 3.15Å; Q134-R138 PolarHBondContact O-N 3.09Å; Q134-R138 PolarHBondContact O-NE 2.92Å |
| 135 | K | 97.4 | Very high | 97.2 | Very high | 151 Ų | 151 | 109.3 Ų | 109.3 | 66% | 0.657 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.9 | -44.9 | 174.3 | -172.3 | 173.3 | -178.9 | 173.5 | 0 | 111.1 | G131 R132 N133 R138 F139 | G131-K135 PolarHBondContact O-N 3.03Å; R132-K135 WeakPolarHBondContact O-CB 3.42Å; R132-K135 PolarHBondContact O-N 3.19Å; R132-K135 VanDerWaalsContact O-N 3.14Å; N133-K135 VanDerWaalsContact C-N 3.29Å; N133-K135 PolarHBondContact O-N 3.07Å; K135-R138 PolarHBondContact O-N 3.26Å; K135-F139 PolarHBondContact O-N 3.46Å |
| 136 | L | 97.3 | Very high | 97.2 | Very high | 103 Ų | 103 | 110.4 Ų | 110.4 | 54% | 0.539 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 176.4 | -179.1 | 61.4 | 0 | 0 | 0 | 111.5 | R132 N133 R138 F139 C140 | R132-L136 PolarHBondContact O-N 3.37Å; N133-L136 PolarHBondContact O-N 3.02Å; L136-R138 VanDerWaalsContact C-N 3.33Å; L136-R138 PolarHBondContact O-N 3.49Å; L136-F139 WeakPolarHBondContact O-CB 3.46Å; L136-F139 PolarHBondContact O-N 3.22Å; L136-F139 VanDerWaalsContact O-N 3.13Å; L136-C140 PolarHBondContact O-N 2.86Å; L136-C140 PolarHBondContact O-SG 2.85Å; L136-C140 VanDerWaalsContact O-SG 3.33Å |
| 137 | E | 97.6 | Very high | 97.2 | Very high | 100 Ų | 100 | 108.8 Ų | 108.8 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.5 | -43.3 | 178.3 | -170.5 | -169.8 | 164.6 | 0 | 0 | 111.9 | N133 F139 C140 K141 | N133-E137 WeakPolarHBondContact O-CB 3.43Å; N133-E137 PolarHBondContact O-N 3.37Å; E137-F139 VanDerWaalsContact C-N 3.35Å; E137-F139 PolarHBondContact O-N 3.44Å; E137-C140 PolarHBondContact O-N 3.35Å; E137-K141 HydrophobicContact CG-CD 4.3Å; E137-K141 WeakPolarHBondContact O-CB 3.36Å; E137-K141 WeakPolarHBondContact O-CG 3.48Å; E137-K141 PolarHBondContact O-N 3.37Å; E137-K141 WeakPolarHBondContact OE1-CE 3.24Å; E137-K141 IonicContact OE1-NZ 2.63Å; E137-K141 PolarHBondContact OE1-NZ 2.8Å |
| 138 | R | 98 | Very high | 97.2 | Very high | 171 Ų | 171 | 108.3 Ų | 108.3 | 65% | 0.645 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61 | -43.5 | 174.7 | -78 | -175.1 | -72 | 162.2 | -6.2 | 111.9 | Q134 K135 L136 K141 M142 | Q134-R138 WeakPolarHBondContact O-CB 3.36Å; Q134-R138 VanDerWaalsContact O-CG 3.31Å; Q134-R138 WeakPolarHBondContact O-CG 3.15Å; Q134-R138 PolarHBondContact O-N 3.09Å; Q134-R138 PolarHBondContact O-NE 2.92Å; K135-R138 PolarHBondContact O-N 3.26Å; L136-R138 VanDerWaalsContact C-N 3.33Å; L136-R138 PolarHBondContact O-N 3.49Å; R138-K141 PolarHBondContact O-N 2.79Å; R138-M142 WeakPolarHBondContact O-CB 3.45Å; R138-M142 PolarHBondContact O-N 2.99Å |
| 139 | F | 96.9 | Very high | 97.2 | Very high | 138 Ų | 138 | 110.6 Ų | 110.6 | 61% | 0.605 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.5 | -48.3 | 177.1 | 179.5 | -97.5 | 0 | 0 | 0 | 111.6 | K135 L136 E137 K141 M142 N143 | K135-F139 PolarHBondContact O-N 3.46Å; L136-F139 WeakPolarHBondContact O-CB 3.46Å; L136-F139 PolarHBondContact O-N 3.22Å; L136-F139 VanDerWaalsContact O-N 3.13Å; E137-F139 VanDerWaalsContact C-N 3.35Å; E137-F139 PolarHBondContact O-N 3.44Å; F139-K141 PolarHBondContact O-N 2.95Å; F139-M142 WeakPolarHBondContact O-CB 3.33Å; F139-M142 PolarHBondContact O-N 2.9Å; F139-M142 VanDerWaalsContact O-N 3.15Å; F139-N143 PolarHBondContact O-N 3.47Å |
| 140 | C | 96.2 | Very high | 97.2 | Very high | 68 Ų | 68 | 109.8 Ų | 109.8 | 46% | 0.459 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.1 | -47 | 177.1 | -66.6 | 0 | 0 | 0 | 0 | 111.8 | L136 E137 M142 N143 E144 | L136-C140 PolarHBondContact O-N 2.86Å; L136-C140 PolarHBondContact O-SG 2.85Å; L136-C140 VanDerWaalsContact O-SG 3.33Å; E137-C140 PolarHBondContact O-N 3.35Å; C140-M142 VanDerWaalsContact C-N 3.3Å; C140-M142 PolarHBondContact O-N 3.22Å; C140-N143 PolarHBondContact O-N 3.46Å; C140-E144 WeakPolarHBondContact O-CB 3.4Å; C140-E144 PolarHBondContact O-N 3.11Å |
| 141 | K | 98.1 | Very high | 97.2 | Very high | 107 Ų | 107 | 105.6 Ų | 105.6 | 47% | 0.465 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.7 | -35.9 | 176.7 | -76.1 | 174.5 | 172.1 | 171.7 | 0 | 113 | E137 R138 F139 R145 | E137-K141 HydrophobicContact CG-CD 4.3Å; E137-K141 WeakPolarHBondContact O-CB 3.36Å; E137-K141 WeakPolarHBondContact O-CG 3.48Å; E137-K141 PolarHBondContact O-N 3.37Å; E137-K141 WeakPolarHBondContact OE1-CE 3.24Å; E137-K141 IonicContact OE1-NZ 2.63Å; E137-K141 PolarHBondContact OE1-NZ 2.8Å; R138-K141 PolarHBondContact O-N 2.79Å; F139-K141 PolarHBondContact O-N 2.95Å; K141-R145 WeakPolarHBondContact O-CB 3.46Å; K141-R145 PolarHBondContact O-N 3.4Å |
| 142 | M | 97.7 | Very high | 97.2 | Very high | 110 Ų | 110 | 107.7 Ų | 107.7 | 54% | 0.542 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66 | -49.5 | 175.6 | -169.7 | 69.6 | 80.1 | 0 | 0 | 110.7 | R138 F139 C140 E144 R145 E146 | R138-M142 WeakPolarHBondContact O-CB 3.45Å; R138-M142 PolarHBondContact O-N 2.99Å; F139-M142 WeakPolarHBondContact O-CB 3.33Å; F139-M142 PolarHBondContact O-N 2.9Å; F139-M142 VanDerWaalsContact O-N 3.15Å; C140-M142 VanDerWaalsContact C-N 3.3Å; C140-M142 PolarHBondContact O-N 3.22Å; M142-E144 VanDerWaalsContact C-N 3.35Å; M142-E144 PolarHBondContact O-N 3.02Å; M142-R145 WeakPolarHBondContact O-CB 3.38Å; M142-R145 PolarHBondContact O-N 3.34Å; M142-R145 PolarHBondContact SD-NH1 3.22Å; M142-E146 PolarHBondContact O-N 3.25Å |
| 143 | N | 96.8 | Very high | 97.3 | Very high | 79 Ų | 79 | 105.8 Ų | 105.8 | 42% | 0.422 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 179.4 | -174 | 60.2 | 0 | 0 | 0 | 112.2 | F139 C140 R145 E146 R147 | F139-N143 PolarHBondContact O-N 3.47Å; C140-N143 PolarHBondContact O-N 3.46Å; N143-R145 VanDerWaalsContact C-N 3.34Å; N143-R145 PolarHBondContact O-N 3.41Å; N143-E146 PolarHBondContact O-N 3.27Å; N143-R147 PolarHBondContact O-N 2.94Å |
| 144 | E | 96.9 | Very high | 97.2 | Very high | 89 Ų | 89 | 106.8 Ų | 106.8 | 42% | 0.416 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 175.3 | -166 | -163.4 | 150.1 | 0 | 0 | 111.8 | C140 M142 R147 K148 | C140-E144 WeakPolarHBondContact O-CB 3.4Å; C140-E144 PolarHBondContact O-N 3.11Å; M142-E144 VanDerWaalsContact C-N 3.35Å; M142-E144 PolarHBondContact O-N 3.02Å; E144-R147 PolarHBondContact O-N 3.3Å; E144-K148 WeakPolarHBondContact O-CB 3.3Å; E144-K148 WeakPolarHBondContact O-CG 3.37Å; E144-K148 PolarHBondContact O-N 3.38Å; E144-K148 WeakPolarHBondContact OE1-CE 3.22Å; E144-K148 IonicContact OE1-NZ 2.66Å; E144-K148 PolarHBondContact OE1-NZ 3.44Å |
| 145 | R | 97.7 | Very high | 97.2 | Very high | 156 Ų | 156 | 103 Ų | 103 | 59% | 0.589 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.8 | -40.2 | 176.2 | -170.1 | -172.9 | -59.2 | 135.4 | 2.1 | 111.8 | K141 M142 N143 K148 N149 | K141-R145 WeakPolarHBondContact O-CB 3.46Å; K141-R145 PolarHBondContact O-N 3.4Å; M142-R145 WeakPolarHBondContact O-CB 3.38Å; M142-R145 PolarHBondContact O-N 3.34Å; M142-R145 PolarHBondContact SD-NH1 3.22Å; N143-R145 VanDerWaalsContact C-N 3.34Å; N143-R145 PolarHBondContact O-N 3.41Å; R145-K148 PolarHBondContact O-N 2.82Å; R145-N149 WeakPolarHBondContact O-CB 3.44Å; R145-N149 PolarHBondContact O-N 2.83Å |
| 146 | E | 97.7 | Very high | 97.1 | Very high | 113 Ų | 113 | 101.8 Ų | 101.8 | 53% | 0.528 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65 | -46.9 | 177.3 | -173.9 | 171.5 | -171.6 | 0 | 0 | 111.6 | M142 N143 K148 N149 I150 | M142-E146 PolarHBondContact O-N 3.25Å; N143-E146 PolarHBondContact O-N 3.27Å; E146-K148 VanDerWaalsContact C-N 3.34Å; E146-K148 PolarHBondContact O-N 2.91Å; E146-N149 WeakPolarHBondContact O-CB 3.37Å; E146-N149 PolarHBondContact O-N 2.87Å; E146-N149 VanDerWaalsContact O-N 3.15Å; E146-I150 HydrophobicContact CG-CD1 4.12Å; E146-I150 WeakPolarHBondContact O-CG1 3.44Å; E146-I150 PolarHBondContact O-N 3.43Å |
| 147 | R | 97 | Very high | 97.1 | Very high | 127 Ų | 127 | 103 Ų | 103 | 48% | 0.479 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -52.2 | -50.8 | 171.2 | -84.2 | 176.7 | 41.6 | 150.3 | -9.1 | 111.7 | D24 N143 E144 N149 I150 N151 | D24-R147 IonicContact OD1-NH2 3.2Å; D24-R147 PolarHBondContact OD1-NH2 3.05Å; D24-R147 IonicContact OD2-CZ 3.98Å; D24-R147 IonicContact OD2-NH2 2.77Å; D24-R147 PolarHBondContact OD2-NH2 3.17Å; N143-R147 PolarHBondContact O-N 2.94Å; E144-R147 PolarHBondContact O-N 3.3Å; R147-N149 VanDerWaalsContact C-N 3.34Å; R147-N149 PolarHBondContact O-N 3.27Å; R147-I150 PolarHBondContact O-N 2.91Å; R147-N151 WeakPolarHBondContact O-CB 3.46Å; R147-N151 PolarHBondContact O-N 2.9Å |
| 148 | K | 97.3 | Very high | 97.1 | Very high | 118 Ų | 118 | 103.7 Ų | 103.7 | 51% | 0.513 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 177.8 | -77.9 | 173.9 | 172.8 | 168.4 | 0 | 112 | E144 R145 E146 N151 N152 | E144-K148 WeakPolarHBondContact O-CB 3.3Å; E144-K148 WeakPolarHBondContact O-CG 3.37Å; E144-K148 PolarHBondContact O-N 3.38Å; E144-K148 WeakPolarHBondContact OE1-CE 3.22Å; E144-K148 IonicContact OE1-NZ 2.66Å; E144-K148 PolarHBondContact OE1-NZ 3.44Å; R145-K148 PolarHBondContact O-N 2.82Å; E146-K148 VanDerWaalsContact C-N 3.34Å; E146-K148 PolarHBondContact O-N 2.91Å; K148-N151 PolarHBondContact O-N 3.43Å; K148-N152 WeakPolarHBondContact O-CB 3.45Å; K148-N152 PolarHBondContact O-N 2.95Å; K148-N152 PolarHBondContact O-ND2 3.41Å; K148-N152 PolarHBondContact O-OD1 3.33Å |
| 149 | N | 97.4 | Very high | 97 | Very high | 79 Ų | 79 | 99.1 Ų | 99.1 | 42% | 0.422 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 177.8 | -176.9 | 45.5 | 0 | 0 | 0 | 112.4 | R145 E146 R147 N152 K153 | R145-N149 WeakPolarHBondContact O-CB 3.44Å; R145-N149 PolarHBondContact O-N 2.83Å; E146-N149 WeakPolarHBondContact O-CB 3.37Å; E146-N149 PolarHBondContact O-N 2.87Å; E146-N149 VanDerWaalsContact O-N 3.15Å; R147-N149 VanDerWaalsContact C-N 3.34Å; R147-N149 PolarHBondContact O-N 3.27Å; N149-N152 PolarHBondContact O-N 3.11Å; N149-K153 WeakPolarHBondContact O-CG 3.42Å; N149-K153 PolarHBondContact O-N 3.49Å; N149-K153 VanDerWaalsContact O-N 3.11Å |
| 150 | I | 96.3 | Very high | 97.1 | Very high | 103 Ų | 103 | 96.7 Ų | 96.7 | 53% | 0.528 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.9 | -47.9 | 176.3 | -67.5 | 167.2 | 0 | 0 | 0 | 110.2 | E146 R147 N152 K153 F154 | E146-I150 HydrophobicContact CG-CD1 4.12Å; E146-I150 WeakPolarHBondContact O-CG1 3.44Å; E146-I150 PolarHBondContact O-N 3.43Å; R147-I150 PolarHBondContact O-N 2.91Å; I150-N152 PolarHBondContact O-N 3.4Å; I150-K153 PolarHBondContact O-N 3.47Å; I150-F154 PolarHBondContact O-N 2.91Å |
| 151 | N | 97 | Very high | 97.2 | Very high | 48 Ų | 48 | 97.9 Ų | 97.9 | 26% | 0.257 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 179 | -167.8 | 40.9 | 0 | 0 | 0 | 111.6 | R147 K148 K153 F154 C155 | R147-N151 WeakPolarHBondContact O-CB 3.46Å; R147-N151 PolarHBondContact O-N 2.9Å; K148-N151 PolarHBondContact O-N 3.43Å; N151-K153 PolarHBondContact O-N 3.43Å; N151-F154 WeakPolarHBondContact O-CB 3.5Å; N151-F154 PolarHBondContact O-N 3.12Å; N151-C155 WeakPolarHBondContact O-CB 3.44Å; N151-C155 PolarHBondContact O-N 3.4Å; N151-C155 PolarHBondContact O-SG 3.24Å |
| 152 | N | 97.3 | Very high | 97.1 | Very high | 79 Ų | 79 | 99.3 Ų | 99.3 | 42% | 0.422 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 178.3 | -72.7 | -12.7 | 0 | 0 | 0 | 112.2 | K148 N149 I150 F154 C155 E156 | K148-N152 WeakPolarHBondContact O-CB 3.45Å; K148-N152 PolarHBondContact O-N 2.95Å; K148-N152 PolarHBondContact O-ND2 3.41Å; K148-N152 PolarHBondContact O-OD1 3.33Å; N149-N152 PolarHBondContact O-N 3.11Å; I150-N152 PolarHBondContact O-N 3.4Å; N152-F154 VanDerWaalsContact C-N 3.29Å; N152-F154 PolarHBondContact O-N 3.09Å; N152-C155 WeakPolarHBondContact O-CB 3.46Å; N152-C155 PolarHBondContact O-N 3.15Å; N152-E156 WeakPolarHBondContact O-CG 3.49Å; N152-E156 PolarHBondContact O-N 3.33Å |
| 153 | K | 97.3 | Very high | 97.2 | Very high | 118 Ų | 118 | 99.1 Ų | 99.1 | 51% | 0.513 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.9 | -40.6 | 176.5 | -72.5 | 174.7 | -179.5 | -179.6 | 0 | 111.9 | N149 I150 N151 Q157 | N149-K153 WeakPolarHBondContact O-CG 3.42Å; N149-K153 PolarHBondContact O-N 3.49Å; N149-K153 VanDerWaalsContact O-N 3.11Å; I150-K153 PolarHBondContact O-N 3.47Å; N151-K153 PolarHBondContact O-N 3.43Å; K153-Q157 WeakPolarHBondContact O-CG 3.31Å; K153-Q157 PolarHBondContact O-N 3.43Å |
| 154 | F | 95.6 | Very high | 97.2 | Very high | 90 Ų | 90 | 101.6 Ų | 101.6 | 40% | 0.395 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.7 | -48.3 | 176.5 | -170.9 | -101.2 | 0 | 0 | 0 | 111.2 | I150 N151 N152 E156 Q157 Y158 | I150-F154 PolarHBondContact O-N 2.91Å; N151-F154 WeakPolarHBondContact O-CB 3.5Å; N151-F154 PolarHBondContact O-N 3.12Å; N152-F154 VanDerWaalsContact C-N 3.29Å; N152-F154 PolarHBondContact O-N 3.09Å; F154-E156 VanDerWaalsContact C-N 3.32Å; F154-E156 PolarHBondContact O-N 3.14Å; F154-Q157 WeakPolarHBondContact O-CB 3.42Å; F154-Q157 PolarHBondContact O-N 2.99Å; F154-Q157 VanDerWaalsContact O-N 3.11Å; F154-Y158 AromaticContact CD1-CD2 3.72Å; F154-Y158 HydrophobicContact CD1-CD2 3.72Å; F154-Y158 AromaticContact CD1-CE2 3.67Å; F154-Y158 HydrophobicContact CD1-CE2 3.67Å; F154-Y158 HydrophobicContact CD2-CD2 4.39Å; F154-Y158 AromaticContact CD2-CE2 3.97Å; F154-Y158 HydrophobicContact CD2-CE2 3.97Å; F154-Y158 AromaticContact CE1-CD2 3.59Å; F154-Y158 HydrophobicContact CE1-CD2 3.59Å; F154-Y158 AromaticContact CE1-CE2 3.09Å; F154-Y158 HydrophobicContact CE1-CE2 3.09Å; F154-Y158 AromaticContact CE1-CZ 3.67Å; F154-Y158 HydrophobicContact CE2-CD2 4.29Å; F154-Y158 AromaticContact CE2-CE2 3.45Å; F154-Y158 HydrophobicContact CE2-CE2 3.45Å; F154-Y158 VanDerWaalsContact CE2-CE2 3.45Å; F154-Y158 HydrophobicContact CG-CD2 4.16Å; F154-Y158 HydrophobicContact CG-CE2 4.1Å; F154-Y158 AromaticContact CZ-CD2 3.93Å; F154-Y158 HydrophobicContact CZ-CD2 3.93Å; F154-Y158 AromaticContact CZ-CE2 3Å; F154-Y158 HydrophobicContact CZ-CE2 3Å; F154-Y158 AromaticContact CZ-CZ 3.49Å; F154-Y158 VanDerWaalsContact CZ-CZ 3.49Å; F154-Y158 WeakPolarHBondContact CZ-OH 3.49Å; F154-Y158 WeakPolarHBondContact O-CD2 3.48Å; F154-Y158 PolarHBondContact O-N 3.18Å |
| 155 | C | 96.9 | Very high | 97.3 | Very high | 16 Ų | 16 | 100.3 Ų | 100.3 | 11% | 0.108 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -54.3 | -45.8 | 174.8 | -71.4 | 0 | 0 | 0 | 0 | 112.4 | L21 N151 N152 Q157 Y158 I159 | L21-C155 WeakPolarHBondContact CD1-SG 3.45Å; N151-C155 WeakPolarHBondContact O-CB 3.44Å; N151-C155 PolarHBondContact O-N 3.4Å; N151-C155 PolarHBondContact O-SG 3.24Å; N152-C155 WeakPolarHBondContact O-CB 3.46Å; N152-C155 PolarHBondContact O-N 3.15Å; C155-Q157 VanDerWaalsContact C-N 3.32Å; C155-Q157 PolarHBondContact O-N 3.27Å; C155-Y158 PolarHBondContact O-N 3.46Å; C155-I159 WeakPolarHBondContact O-CB 3.44Å; C155-I159 VanDerWaalsContact O-CG1 3.24Å; C155-I159 WeakPolarHBondContact O-CG1 3.37Å; C155-I159 PolarHBondContact O-N 3.47Å |
| 156 | E | 97.1 | Very high | 97.3 | Very high | 126 Ų | 126 | 99.6 Ų | 99.6 | 59% | 0.589 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -58.2 | -42.4 | 176.9 | -75.7 | 176 | -179.5 | 0 | 0 | 112.3 | N152 F154 T160 | N152-E156 WeakPolarHBondContact O-CG 3.49Å; N152-E156 PolarHBondContact O-N 3.33Å; F154-E156 VanDerWaalsContact C-N 3.32Å; F154-E156 PolarHBondContact O-N 3.14Å; E156-T160 WeakPolarHBondContact O-CB 3.47Å; E156-T160 PolarHBondContact O-N 3.44Å; E156-T160 PolarHBondContact O-OG1 3.48Å |
| 157 | Q | 96.9 | Very high | 97.3 | Very high | 127 Ų | 127 | 99.4 Ų | 99.4 | 59% | 0.593 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64 | -43.8 | 175.9 | -71.5 | -179.5 | -7.8 | 0 | 0 | 112.1 | K153 F154 C155 T160 T161 | K153-Q157 WeakPolarHBondContact O-CG 3.31Å; K153-Q157 PolarHBondContact O-N 3.43Å; F154-Q157 WeakPolarHBondContact O-CB 3.42Å; F154-Q157 PolarHBondContact O-N 2.99Å; F154-Q157 VanDerWaalsContact O-N 3.11Å; C155-Q157 VanDerWaalsContact C-N 3.32Å; C155-Q157 PolarHBondContact O-N 3.27Å; Q157-T160 PolarHBondContact O-N 3.41Å; Q157-T161 WeakPolarHBondContact O-CB 3.49Å; Q157-T161 PolarHBondContact O-N 2.95Å; Q157-T161 PolarHBondContact O-OG1 3.15Å |
| 158 | Y | 96.2 | Very high | 97.4 | Very high | 115 Ų | 115 | 97.5 Ų | 97.5 | 45% | 0.451 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 177.3 | -89.2 | -98 | 0 | 0 | 0 | 111.8 | F154 C155 T160 T161 F162 | F154-Y158 AromaticContact CD1-CD2 3.72Å; F154-Y158 HydrophobicContact CD1-CD2 3.72Å; F154-Y158 AromaticContact CD1-CE2 3.67Å; F154-Y158 HydrophobicContact CD1-CE2 3.67Å; F154-Y158 HydrophobicContact CD2-CD2 4.39Å; F154-Y158 AromaticContact CD2-CE2 3.97Å; F154-Y158 HydrophobicContact CD2-CE2 3.97Å; F154-Y158 AromaticContact CE1-CD2 3.59Å; F154-Y158 HydrophobicContact CE1-CD2 3.59Å; F154-Y158 AromaticContact CE1-CE2 3.09Å; F154-Y158 HydrophobicContact CE1-CE2 3.09Å; F154-Y158 AromaticContact CE1-CZ 3.67Å; F154-Y158 HydrophobicContact CE2-CD2 4.29Å; F154-Y158 AromaticContact CE2-CE2 3.45Å; F154-Y158 HydrophobicContact CE2-CE2 3.45Å; F154-Y158 VanDerWaalsContact CE2-CE2 3.45Å; F154-Y158 HydrophobicContact CG-CD2 4.16Å; F154-Y158 HydrophobicContact CG-CE2 4.1Å; F154-Y158 AromaticContact CZ-CD2 3.93Å; F154-Y158 HydrophobicContact CZ-CD2 3.93Å; F154-Y158 AromaticContact CZ-CE2 3Å; F154-Y158 HydrophobicContact CZ-CE2 3Å; F154-Y158 AromaticContact CZ-CZ 3.49Å; F154-Y158 VanDerWaalsContact CZ-CZ 3.49Å; F154-Y158 WeakPolarHBondContact CZ-OH 3.49Å; F154-Y158 WeakPolarHBondContact O-CD2 3.48Å; F154-Y158 PolarHBondContact O-N 3.18Å; C155-Y158 PolarHBondContact O-N 3.46Å; Y158-T160 VanDerWaalsContact C-N 3.32Å; Y158-T160 PolarHBondContact O-N 3.17Å; Y158-T161 PolarHBondContact O-N 3.39Å; Y158-F162 HydrophobicContact CD1-CD2 4.41Å; Y158-F162 AromaticContact CD1-CE2 3.7Å; Y158-F162 HydrophobicContact CD1-CE2 3.7Å; Y158-F162 HydrophobicContact CD1-CZ 4.36Å; Y158-F162 WeakPolarHBondContact O-CB 3.37Å; Y158-F162 WeakPolarHBondContact O-CD2 3.29Å; Y158-F162 PolarHBondContact O-N 2.99Å |
| 159 | I | 97.2 | Very high | 97.5 | Very high | 75 Ų | 75 | 95.7 Ų | 95.7 | 39% | 0.385 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -57.6 | -48.3 | 178 | -70.6 | 165.5 | 0 | 0 | 0 | 109.9 | C155 T161 F162 Q163 | C155-I159 WeakPolarHBondContact O-CB 3.44Å; C155-I159 VanDerWaalsContact O-CG1 3.24Å; C155-I159 WeakPolarHBondContact O-CG1 3.37Å; C155-I159 PolarHBondContact O-N 3.47Å; I159-T161 VanDerWaalsContact C-N 3.34Å; I159-T161 PolarHBondContact O-N 3.42Å; I159-F162 PolarHBondContact O-N 3.38Å; I159-Q163 HydrophobicContact CG2-CG 4.41Å; I159-Q163 WeakPolarHBondContact O-CB 3.39Å; I159-Q163 VanDerWaalsContact O-CG 3.27Å; I159-Q163 WeakPolarHBondContact O-CG 3.35Å; I159-Q163 PolarHBondContact O-N 2.96Å |
| 160 | T | 97.7 | Very high | 97.5 | Very high | 88 Ų | 88 | 96 Ų | 96 | 54% | 0.54 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 179 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | E156 Q157 Y158 Q163 K164 | E156-T160 WeakPolarHBondContact O-CB 3.47Å; E156-T160 PolarHBondContact O-N 3.44Å; E156-T160 PolarHBondContact O-OG1 3.48Å; Q157-T160 PolarHBondContact O-N 3.41Å; Y158-T160 VanDerWaalsContact C-N 3.32Å; Y158-T160 PolarHBondContact O-N 3.17Å; T160-Q163 PolarHBondContact O-N 2.99Å; T160-K164 PolarHBondContact O-N 3.42Å |
| 161 | T | 98 | Very high | 97.6 | Very high | 93 Ų | 93 | 97 Ų | 97 | 57% | 0.571 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.7 | -44.4 | 179.3 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | Q157 Y158 I159 K164 S165 | Q157-T161 WeakPolarHBondContact O-CB 3.49Å; Q157-T161 PolarHBondContact O-N 2.95Å; Q157-T161 PolarHBondContact O-OG1 3.15Å; Y158-T161 PolarHBondContact O-N 3.39Å; I159-T161 VanDerWaalsContact C-N 3.34Å; I159-T161 PolarHBondContact O-N 3.42Å; T161-K164 PolarHBondContact O-N 3.49Å; T161-S165 WeakPolarHBondContact O-CB 3.44Å; T161-S165 PolarHBondContact O-N 3.5Å |
| 162 | F | 97.9 | Very high | 97.7 | Very high | 136 Ų | 136 | 100.7 Ų | 100.7 | 60% | 0.596 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.3 | -38.9 | 178.1 | -78.5 | -57.5 | 0 | 0 | 0 | 112.7 | Y158 I159 K164 S165 Y166 | Y158-F162 HydrophobicContact CD1-CD2 4.41Å; Y158-F162 AromaticContact CD1-CE2 3.7Å; Y158-F162 HydrophobicContact CD1-CE2 3.7Å; Y158-F162 HydrophobicContact CD1-CZ 4.36Å; Y158-F162 WeakPolarHBondContact O-CB 3.37Å; Y158-F162 WeakPolarHBondContact O-CD2 3.29Å; Y158-F162 PolarHBondContact O-N 2.99Å; I159-F162 PolarHBondContact O-N 3.38Å; F162-K164 VanDerWaalsContact C-N 3.33Å; F162-K164 PolarHBondContact O-N 2.89Å; F162-S165 PolarHBondContact O-N 2.77Å; F162-Y166 WeakPolarHBondContact O-CB 3.38Å; F162-Y166 PolarHBondContact O-N 3.2Å |
| 163 | Q | 98.1 | Very high | 97.7 | Very high | 107 Ų | 107 | 100.8 Ų | 100.8 | 50% | 0.5 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 173.5 | -76.1 | 176.6 | -6.2 | 0 | 0 | 111.2 | I159 T160 Y166 M167 | I159-Q163 HydrophobicContact CG2-CG 4.41Å; I159-Q163 WeakPolarHBondContact O-CB 3.39Å; I159-Q163 VanDerWaalsContact O-CG 3.27Å; I159-Q163 WeakPolarHBondContact O-CG 3.35Å; I159-Q163 PolarHBondContact O-N 2.96Å; T160-Q163 PolarHBondContact O-N 2.99Å; Q163-Y166 PolarHBondContact O-N 2.98Å; Q163-M167 WeakPolarHBondContact O-CG 3.37Å; Q163-M167 PolarHBondContact O-N 3.1Å |
| 164 | K | 98.1 | Very high | 97.7 | Very high | 130 Ų | 130 | 100.4 Ų | 100.4 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.7 | -50 | 174.9 | -174.5 | 179.8 | 178.2 | -177 | 0 | 111.9 | T160 T161 F162 Y166 M167 D168 | T160-K164 PolarHBondContact O-N 3.42Å; T161-K164 PolarHBondContact O-N 3.49Å; F162-K164 VanDerWaalsContact C-N 3.33Å; F162-K164 PolarHBondContact O-N 2.89Å; K164-Y166 VanDerWaalsContact C-N 3.27Å; K164-Y166 PolarHBondContact O-N 3.27Å; K164-M167 PolarHBondContact O-N 2.98Å; K164-M167 VanDerWaalsContact O-N 3.13Å; K164-D168 PolarHBondContact O-N 3.28Å |
| 165 | S | 98.3 | Very high | 97.9 | Very high | 63 Ų | 63 | 101 Ų | 101 | 44% | 0.441 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.7 | -40.2 | 177.4 | 178.4 | 0 | 0 | 0 | 0 | 112.2 | T161 F162 D168 V169 | T161-S165 WeakPolarHBondContact O-CB 3.44Å; T161-S165 PolarHBondContact O-N 3.5Å; F162-S165 PolarHBondContact O-N 2.77Å; S165-D168 PolarHBondContact O-N 2.66Å; S165-V169 WeakPolarHBondContact O-CG2 3.42Å; S165-V169 PolarHBondContact O-N 2.91Å |
| 166 | Y | 98.1 | Very high | 97.9 | Very high | 140 Ų | 140 | 105.9 Ų | 105.9 | 55% | 0.549 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -44.7 | 175.9 | -179.4 | -100.8 | 0 | 0 | 0 | 112.3 | F162 Q163 K164 V169 Q170 | F162-Y166 WeakPolarHBondContact O-CB 3.38Å; F162-Y166 PolarHBondContact O-N 3.2Å; Q163-Y166 PolarHBondContact O-N 2.98Å; K164-Y166 VanDerWaalsContact C-N 3.27Å; K164-Y166 PolarHBondContact O-N 3.27Å; Y166-V169 PolarHBondContact O-N 3.28Å; Y166-Q170 HydrophobicContact CE1-CG 4.23Å; Y166-Q170 VanDerWaalsContact CZ-NE2 3.28Å; Y166-Q170 PolarHBondContact O-N 3.02Å; Y166-Q170 VanDerWaalsContact O-N 3.08Å; Y166-Q170 PolarHBondContact OH-NE2 3.13Å |
| 167 | M | 98.2 | Very high | 98 | Very high | 110 Ų | 110 | 106 Ų | 106 | 54% | 0.542 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 174.9 | -69.7 | -174.4 | -65.4 | 0 | 0 | 112 | Q163 K164 V169 Q170 K171 | Q163-M167 WeakPolarHBondContact O-CG 3.37Å; Q163-M167 PolarHBondContact O-N 3.1Å; K164-M167 PolarHBondContact O-N 2.98Å; K164-M167 VanDerWaalsContact O-N 3.13Å; M167-V169 VanDerWaalsContact C-N 3.31Å; M167-V169 PolarHBondContact O-N 3.38Å; M167-Q170 WeakPolarHBondContact O-CB 3.17Å; M167-Q170 PolarHBondContact O-N 2.88Å; M167-K171 PolarHBondContact O-N 3.5Å |
| 168 | D | 98.4 | Very high | 98 | Very high | 87 Ų | 87 | 106.6 Ų | 106.6 | 47% | 0.465 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -39.4 | 177.6 | -69.6 | -25.6 | 0 | 0 | 0 | 111.5 | K164 S165 K171 F172 | K164-D168 PolarHBondContact O-N 3.28Å; S165-D168 PolarHBondContact O-N 2.66Å; D168-K171 PolarHBondContact O-N 3.39Å; D168-F172 WeakPolarHBondContact O-CB 3.35Å; D168-F172 PolarHBondContact O-N 3.39Å |
| 169 | V | 98.3 | Very high | 98.1 | Very high | 79 Ų | 79 | 104.8 Ų | 104.8 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 174.5 | 170 | 0 | 0 | 0 | 0 | 111.9 | S165 Y166 M167 N173 | S165-V169 WeakPolarHBondContact O-CG2 3.42Å; S165-V169 PolarHBondContact O-N 2.91Å; Y166-V169 PolarHBondContact O-N 3.28Å; M167-V169 VanDerWaalsContact C-N 3.31Å; M167-V169 PolarHBondContact O-N 3.38Å; V169-N173 PolarHBondContact O-N 3.18Å; V169-N173 VanDerWaalsContact O-N 3.09Å; V169-N173 PolarHBondContact O-ND2 2.63Å; V169-N173 VanDerWaalsContact O-ND2 3.15Å |
| 170 | Q | 98.2 | Very high | 98.2 | Very high | 86 Ų | 86 | 105.1 Ų | 105.1 | 40% | 0.402 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62 | -49.9 | 174.9 | -72.1 | -173.6 | -19.1 | 0 | 0 | 111.1 | Y166 M167 F172 N173 E174 | Y166-Q170 HydrophobicContact CE1-CG 4.23Å; Y166-Q170 VanDerWaalsContact CZ-NE2 3.28Å; Y166-Q170 PolarHBondContact O-N 3.02Å; Y166-Q170 VanDerWaalsContact O-N 3.08Å; Y166-Q170 PolarHBondContact OH-NE2 3.13Å; M167-Q170 WeakPolarHBondContact O-CB 3.17Å; M167-Q170 PolarHBondContact O-N 2.88Å; Q170-F172 VanDerWaalsContact C-N 3.33Å; Q170-F172 PolarHBondContact O-N 3.05Å; Q170-N173 WeakPolarHBondContact O-CB 3.43Å; Q170-N173 PolarHBondContact O-N 3.43Å; Q170-N173 VanDerWaalsContact O-N 3.08Å; Q170-E174 PolarHBondContact O-N 3.47Å; Q170-E174 VanDerWaalsContact O-N 3.08Å |
| 171 | K | 98.5 | Very high | 98.2 | Very high | 123 Ų | 123 | 104.6 Ų | 104.6 | 54% | 0.535 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.6 | -43.5 | 177.8 | -174 | -178 | 175.8 | -172.4 | 0 | 112.2 | M167 D168 N173 E174 E175 | M167-K171 PolarHBondContact O-N 3.5Å; D168-K171 PolarHBondContact O-N 3.39Å; K171-N173 VanDerWaalsContact C-N 3.3Å; K171-N173 PolarHBondContact O-N 3.33Å; K171-E174 PolarHBondContact O-N 3.14Å; K171-E175 WeakPolarHBondContact CE-OE1 3.29Å; K171-E175 PolarHBondContact O-N 3.32Å |
| 172 | F | 98.3 | Very high | 98.2 | Very high | 127 Ų | 127 | 103.6 Ų | 103.6 | 56% | 0.557 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.9 | -41.6 | 175.4 | 173.1 | -99.1 | 0 | 0 | 0 | 112.1 | D168 Q170 E175 K176 | D168-F172 WeakPolarHBondContact O-CB 3.35Å; D168-F172 PolarHBondContact O-N 3.39Å; Q170-F172 VanDerWaalsContact C-N 3.33Å; Q170-F172 PolarHBondContact O-N 3.05Å; F172-E175 PolarHBondContact O-N 3.44Å; F172-K176 HydrophobicContact CE1-CD 4.35Å; F172-K176 VanDerWaalsContact O-CB 3.25Å; F172-K176 WeakPolarHBondContact O-CB 2.94Å; F172-K176 PolarHBondContact O-N 3.45Å |
| 173 | N | 98.2 | Very high | 98.2 | Very high | 80 Ų | 80 | 100.8 Ų | 100.8 | 43% | 0.428 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.1 | -39.1 | 178.2 | -76 | -38.8 | 0 | 0 | 0 | 112.3 | V169 Q170 K171 K176 E177 | V169-N173 PolarHBondContact O-N 3.18Å; V169-N173 VanDerWaalsContact O-N 3.09Å; V169-N173 PolarHBondContact O-ND2 2.63Å; V169-N173 VanDerWaalsContact O-ND2 3.15Å; Q170-N173 WeakPolarHBondContact O-CB 3.43Å; Q170-N173 PolarHBondContact O-N 3.43Å; Q170-N173 VanDerWaalsContact O-N 3.08Å; K171-N173 VanDerWaalsContact C-N 3.3Å; K171-N173 PolarHBondContact O-N 3.33Å; N173-K176 PolarHBondContact O-N 3.04Å; N173-E177 PolarHBondContact O-N 2.85Å |
| 174 | E | 98.2 | Very high | 98.2 | Very high | 110 Ų | 110 | 100.5 Ų | 100.5 | 51% | 0.514 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 174.7 | -67.7 | 177.6 | -169.2 | 0 | 0 | 112.2 | Q170 K171 K176 E177 K178 | Q170-E174 PolarHBondContact O-N 3.47Å; Q170-E174 VanDerWaalsContact O-N 3.08Å; K171-E174 PolarHBondContact O-N 3.14Å; E174-K176 VanDerWaalsContact C-N 3.35Å; E174-E177 PolarHBondContact O-N 2.79Å; E174-K178 WeakPolarHBondContact O-CG 3.35Å; E174-K178 PolarHBondContact O-N 2.74Å |
| 175 | E | 98.3 | Very high | 98.2 | Very high | 104 Ų | 104 | 101.6 Ų | 101.6 | 49% | 0.486 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 176.6 | -75.7 | 179.6 | -174.5 | 0 | 0 | 111.7 | K171 F172 E177 K178 S179 | K171-E175 WeakPolarHBondContact CE-OE1 3.29Å; K171-E175 PolarHBondContact O-N 3.32Å; F172-E175 PolarHBondContact O-N 3.44Å; E175-E177 PolarHBondContact O-N 2.91Å; E175-K178 PolarHBondContact O-N 3.11Å; E175-S179 PolarHBondContact O-N 3.49Å |
| 176 | K | 98.1 | Very high | 98.2 | Very high | 118 Ų | 118 | 105.2 Ų | 105.2 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.5 | -45.3 | 174.3 | 176.7 | -174.3 | 169 | -175.1 | 0 | 111.6 | F172 N173 E174 S179 V180 | F172-K176 HydrophobicContact CE1-CD 4.35Å; F172-K176 VanDerWaalsContact O-CB 3.25Å; F172-K176 WeakPolarHBondContact O-CB 2.94Å; F172-K176 PolarHBondContact O-N 3.45Å; N173-K176 PolarHBondContact O-N 3.04Å; E174-K176 VanDerWaalsContact C-N 3.35Å; K176-S179 PolarHBondContact O-N 3.29Å; K176-V180 VanDerWaalsContact O-CG2 3.32Å; K176-V180 WeakPolarHBondContact O-CG2 3.32Å; K176-V180 PolarHBondContact O-N 2.88Å |
| 177 | E | 98.1 | Very high | 98.2 | Very high | 127 Ų | 127 | 103.6 Ų | 103.6 | 59% | 0.593 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.8 | -43.9 | 178.3 | -175.2 | 173.1 | -174.3 | 0 | 0 | 111.7 | N173 E174 E175 S179 V180 N181 | N173-E177 PolarHBondContact O-N 2.85Å; E174-E177 PolarHBondContact O-N 2.79Å; E175-E177 PolarHBondContact O-N 2.91Å; E177-S179 VanDerWaalsContact C-N 3.34Å; E177-S179 PolarHBondContact O-N 2.96Å; E177-V180 PolarHBondContact O-N 3.41Å; E177-N181 VanDerWaalsContact O-CG 3.3Å; E177-N181 PolarHBondContact O-N 3.45Å; E177-N181 PolarHBondContact O-ND2 2.87Å |
| 178 | K | 98.2 | Very high | 98.2 | Very high | 140 Ų | 140 | 103.5 Ų | 103.5 | 61% | 0.609 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -57.8 | -45.4 | 173.8 | -71.4 | 170.9 | -175.2 | 168.1 | 0 | 112 | E174 E175 N181 S182 | E174-K178 WeakPolarHBondContact O-CG 3.35Å; E174-K178 PolarHBondContact O-N 2.74Å; E175-K178 PolarHBondContact O-N 3.11Å; K178-N181 PolarHBondContact O-N 3.16Å; K178-S182 PolarHBondContact O-N 2.89Å |
| 179 | S | 97.7 | Very high | 98.2 | Very high | 78 Ų | 78 | 102.1 Ų | 102.1 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 178.2 | 176.5 | 0 | 0 | 0 | 0 | 112.1 | E175 K176 E177 N181 S182 C183 | E175-S179 PolarHBondContact O-N 3.49Å; K176-S179 PolarHBondContact O-N 3.29Å; E177-S179 VanDerWaalsContact C-N 3.34Å; E177-S179 PolarHBondContact O-N 2.96Å; S179-N181 VanDerWaalsContact C-N 3.34Å; S179-N181 PolarHBondContact O-N 3.42Å; S179-S182 PolarHBondContact O-N 3.47Å; S179-C183 WeakPolarHBondContact O-CB 3.42Å; S179-C183 PolarHBondContact O-N 2.91Å |
| 180 | V | 98.4 | Very high | 98.2 | Very high | 81 Ų | 81 | 104.3 Ų | 104.3 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.8 | -45.3 | 175.7 | 169.6 | 0 | 0 | 0 | 0 | 111.2 | K176 E177 S182 C183 Q184 | K176-V180 VanDerWaalsContact O-CG2 3.32Å; K176-V180 WeakPolarHBondContact O-CG2 3.32Å; K176-V180 PolarHBondContact O-N 2.88Å; E177-V180 PolarHBondContact O-N 3.41Å; V180-S182 VanDerWaalsContact C-N 3.34Å; V180-S182 PolarHBondContact O-N 2.9Å; V180-C183 PolarHBondContact O-N 2.97Å; V180-Q184 PolarHBondContact O-N 3.19Å |
| 181 | N | 98.2 | Very high | 98.2 | Very high | 78 Ų | 78 | 106.6 Ų | 106.6 | 42% | 0.417 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 177.8 | -71.5 | -25 | 0 | 0 | 0 | 112.3 | E177 K178 S179 Q184 K185 | E177-N181 VanDerWaalsContact O-CG 3.3Å; E177-N181 PolarHBondContact O-N 3.45Å; E177-N181 PolarHBondContact O-ND2 2.87Å; K178-N181 PolarHBondContact O-N 3.16Å; S179-N181 VanDerWaalsContact C-N 3.34Å; S179-N181 PolarHBondContact O-N 3.42Å; N181-Q184 PolarHBondContact O-N 3.43Å; N181-K185 WeakPolarHBondContact O-CG 3.47Å; N181-K185 PolarHBondContact O-N 3.43Å |
| 182 | S | 98.1 | Very high | 98.2 | Very high | 72 Ų | 72 | 106.8 Ų | 106.8 | 50% | 0.503 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64 | -47.3 | 175.4 | -167 | 0 | 0 | 0 | 0 | 111.7 | K178 S179 V180 Q184 K185 E186 | K178-S182 PolarHBondContact O-N 2.89Å; S179-S182 PolarHBondContact O-N 3.47Å; V180-S182 VanDerWaalsContact C-N 3.34Å; V180-S182 PolarHBondContact O-N 2.9Å; S182-Q184 VanDerWaalsContact C-N 3.28Å; S182-Q184 PolarHBondContact O-N 3.5Å; S182-K185 PolarHBondContact O-N 2.83Å; S182-K185 VanDerWaalsContact O-N 3.14Å; S182-E186 PolarHBondContact O-N 2.7Å |
| 183 | C | 97.9 | Very high | 98.2 | Very high | 77 Ų | 77 | 104.3 Ų | 104.3 | 52% | 0.52 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.4 | -39.6 | 178 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | S179 V180 E186 Q187 | S179-C183 WeakPolarHBondContact O-CB 3.42Å; S179-C183 PolarHBondContact O-N 2.91Å; V180-C183 PolarHBondContact O-N 2.97Å; C183-E186 PolarHBondContact O-N 3.22Å; C183-Q187 VanDerWaalsContact O-CB 3.3Å; C183-Q187 WeakPolarHBondContact O-CB 3.42Å; C183-Q187 PolarHBondContact O-N 3.11Å |
| 184 | Q | 98.4 | Very high | 98.1 | Very high | 101 Ų | 101 | 107.1 Ų | 107.1 | 47% | 0.472 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 175.7 | -176.2 | 177.6 | -20.9 | 0 | 0 | 112.5 | V180 N181 S182 Q187 Q188 | V180-Q184 PolarHBondContact O-N 3.19Å; N181-Q184 PolarHBondContact O-N 3.43Å; S182-Q184 VanDerWaalsContact C-N 3.28Å; S182-Q184 PolarHBondContact O-N 3.5Å; Q184-Q187 PolarHBondContact O-N 2.79Å; Q184-Q188 WeakPolarHBondContact O-CG 3.3Å; Q184-Q188 PolarHBondContact O-N 2.9Å |
| 185 | K | 98.3 | Very high | 98.1 | Very high | 152 Ų | 152 | 105 Ų | 105 | 66% | 0.661 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.2 | -45.7 | 176.1 | -71.7 | 177.6 | -179.1 | -179.3 | 0 | 111.5 | N181 S182 Q187 Q188 A189 | N181-K185 WeakPolarHBondContact O-CG 3.47Å; N181-K185 PolarHBondContact O-N 3.43Å; S182-K185 PolarHBondContact O-N 2.83Å; S182-K185 VanDerWaalsContact O-N 3.14Å; K185-Q187 VanDerWaalsContact C-N 3.35Å; K185-Q187 PolarHBondContact O-N 3.05Å; K185-Q188 PolarHBondContact O-N 2.92Å; K185-A189 PolarHBondContact O-N 3.35Å |
| 186 | E | 97.9 | Very high | 98.1 | Very high | 139 Ų | 139 | 103 Ų | 103 | 65% | 0.65 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.1 | -41.5 | 177.6 | -171.2 | 175.4 | -177.4 | 0 | 0 | 111.6 | S182 C183 Q188 A189 L190 | S182-E186 PolarHBondContact O-N 2.7Å; C183-E186 PolarHBondContact O-N 3.22Å; E186-Q188 VanDerWaalsContact C-N 3.3Å; E186-Q188 PolarHBondContact O-N 3.06Å; E186-A189 PolarHBondContact O-N 3.48Å; E186-L190 WeakPolarHBondContact O-CB 3.37Å; E186-L190 PolarHBondContact O-N 2.94Å |
| 187 | Q | 98.1 | Very high | 98.1 | Very high | 107 Ų | 107 | 104 Ų | 104 | 50% | 0.5 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.5 | -38.6 | 174.8 | -170 | -175.3 | 28 | 0 | 0 | 112.2 | C183 Q184 K185 K191 | C183-Q187 VanDerWaalsContact O-CB 3.3Å; C183-Q187 WeakPolarHBondContact O-CB 3.42Å; C183-Q187 PolarHBondContact O-N 3.11Å; Q184-Q187 PolarHBondContact O-N 2.79Å; K185-Q187 VanDerWaalsContact C-N 3.35Å; K185-Q187 PolarHBondContact O-N 3.05Å; Q187-K191 WeakPolarHBondContact O-CG 3.47Å; Q187-K191 PolarHBondContact O-N 3.46Å; Q187-K191 VanDerWaalsContact O-N 3.16Å |
| 188 | Q | 98.3 | Very high | 98.1 | Very high | 108 Ų | 108 | 101.9 Ų | 101.9 | 51% | 0.505 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.5 | -45.2 | 174.8 | -72.7 | 177.7 | -2.2 | 0 | 0 | 111.7 | Q184 K185 E186 L190 K191 L192 | Q184-Q188 WeakPolarHBondContact O-CG 3.3Å; Q184-Q188 PolarHBondContact O-N 2.9Å; K185-Q188 PolarHBondContact O-N 2.92Å; E186-Q188 VanDerWaalsContact C-N 3.3Å; E186-Q188 PolarHBondContact O-N 3.06Å; Q188-L190 VanDerWaalsContact C-N 3.32Å; Q188-L190 PolarHBondContact O-N 3Å; Q188-K191 PolarHBondContact O-N 3.02Å; Q188-L192 PolarHBondContact O-N 3.2Å; Q188-L192 VanDerWaalsContact O-N 3.07Å |
| 189 | A | 98.3 | Very high | 98.1 | Very high | 58 Ų | 58 | 101.2 Ų | 101.2 | 48% | 0.479 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.4 | -42.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K185 E186 K191 L192 S193 | K185-A189 PolarHBondContact O-N 3.35Å; E186-A189 PolarHBondContact O-N 3.48Å; A189-K191 PolarHBondContact O-N 3.06Å; A189-L192 PolarHBondContact O-N 3.25Å; A189-S193 WeakPolarHBondContact O-CB 3.34Å; A189-S193 PolarHBondContact O-N 2.91Å |
| 190 | L | 98.2 | Very high | 98.1 | Very high | 124 Ų | 124 | 102.1 Ų | 102.1 | 65% | 0.649 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.6 | -42.2 | 177.1 | -175.3 | 66.1 | 0 | 0 | 0 | 112.2 | E186 Q188 S193 K194 | E186-L190 WeakPolarHBondContact O-CB 3.37Å; E186-L190 PolarHBondContact O-N 2.94Å; Q188-L190 VanDerWaalsContact C-N 3.32Å; Q188-L190 PolarHBondContact O-N 3Å; L190-S193 PolarHBondContact O-N 2.93Å; L190-K194 WeakPolarHBondContact O-CB 3.41Å; L190-K194 PolarHBondContact O-N 3.36Å |
| 191 | K | 98.2 | Very high | 98.1 | Very high | 134 Ų | 134 | 102.8 Ų | 102.8 | 58% | 0.583 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.9 | -44.5 | 175.3 | -77.2 | 174.5 | -179.3 | 179.1 | 0 | 111.8 | Q187 Q188 A189 K194 C195 | Q187-K191 WeakPolarHBondContact O-CG 3.47Å; Q187-K191 PolarHBondContact O-N 3.46Å; Q187-K191 VanDerWaalsContact O-N 3.16Å; Q188-K191 PolarHBondContact O-N 3.02Å; A189-K191 PolarHBondContact O-N 3.06Å; K191-K194 PolarHBondContact O-N 3.37Å; K191-C195 PolarHBondContact O-N 3.39Å; K191-C195 VanDerWaalsContact O-N 3.07Å |
| 192 | L | 98.3 | Very high | 98.1 | Very high | 128 Ų | 128 | 104 Ų | 104 | 67% | 0.67 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.8 | -45.2 | 177.7 | -71 | 173.4 | 0 | 0 | 0 | 111.7 | Q188 A189 K194 C195 S196 | Q188-L192 PolarHBondContact O-N 3.2Å; Q188-L192 VanDerWaalsContact O-N 3.07Å; A189-L192 PolarHBondContact O-N 3.25Å; L192-K194 VanDerWaalsContact C-N 3.31Å; L192-K194 PolarHBondContact O-N 3.42Å; L192-C195 WeakPolarHBondContact O-CB 3.4Å; L192-C195 PolarHBondContact O-N 2.88Å; L192-S196 PolarHBondContact O-N 2.92Å |
| 193 | S | 97.9 | Very high | 98 | Very high | 75 Ų | 75 | 102.9 Ų | 102.9 | 52% | 0.524 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.4 | -43.1 | 176.4 | -173.7 | 0 | 0 | 0 | 0 | 111.9 | A189 L190 S196 Q197 | A189-S193 WeakPolarHBondContact O-CB 3.34Å; A189-S193 PolarHBondContact O-N 2.91Å; L190-S193 PolarHBondContact O-N 2.93Å; S193-S196 PolarHBondContact O-N 3.18Å; S193-Q197 WeakPolarHBondContact O-CB 3.33Å; S193-Q197 PolarHBondContact O-N 2.77Å |
| 194 | K | 98.2 | Very high | 98 | Very high | 138 Ų | 138 | 101.2 Ų | 101.2 | 60% | 0.6 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.3 | -40.8 | 177.1 | -172.7 | 175.9 | -178.4 | 176.8 | 0 | 112.1 | L190 K191 L192 N198 | L190-K194 WeakPolarHBondContact O-CB 3.41Å; L190-K194 PolarHBondContact O-N 3.36Å; K191-K194 PolarHBondContact O-N 3.37Å; L192-K194 VanDerWaalsContact C-N 3.31Å; L192-K194 PolarHBondContact O-N 3.42Å; K194-N198 PolarHBondContact O-N 2.89Å; K194-N198 VanDerWaalsContact O-N 3.12Å |
| 195 | C | 98.1 | Very high | 98 | Very high | 65 Ų | 65 | 101.4 Ų | 101.4 | 44% | 0.439 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62 | -47.7 | 175.7 | -171.4 | 0 | 0 | 0 | 0 | 111.3 | K191 L192 N198 Q199 | K191-C195 PolarHBondContact O-N 3.39Å; K191-C195 VanDerWaalsContact O-N 3.07Å; L192-C195 WeakPolarHBondContact O-CB 3.4Å; L192-C195 PolarHBondContact O-N 2.88Å; C195-N198 PolarHBondContact O-N 3.05Å; C195-Q199 WeakPolarHBondContact O-CG 3.45Å; C195-Q199 PolarHBondContact O-N 2.76Å |
| 196 | S | 97.7 | Very high | 98 | Very high | 64 Ų | 64 | 99 Ų | 99 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 178.1 | 175.4 | 0 | 0 | 0 | 0 | 112.2 | L192 S193 N198 Q199 T200 | L192-S196 PolarHBondContact O-N 2.92Å; S193-S196 PolarHBondContact O-N 3.18Å; S196-N198 VanDerWaalsContact C-N 3.32Å; S196-N198 PolarHBondContact O-N 2.99Å; S196-Q199 WeakPolarHBondContact O-CB 3.32Å; S196-Q199 PolarHBondContact O-N 2.89Å; S196-T200 PolarHBondContact O-N 3.37Å; S196-T200 PolarHBondContact O-OG1 3.4Å |
| 197 | Q | 97.9 | Very high | 97.9 | Very high | 137 Ų | 137 | 98.6 Ų | 98.6 | 64% | 0.64 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.2 | -42.9 | 176.9 | -173.3 | -179.9 | 26 | 0 | 0 | 112.1 | S193 T200 L201 | S193-Q197 WeakPolarHBondContact O-CB 3.33Å; S193-Q197 PolarHBondContact O-N 2.77Å; Q197-T200 PolarHBondContact O-N 3.05Å; Q197-L201 WeakPolarHBondContact O-CB 3.38Å; Q197-L201 PolarHBondContact O-N 3.48Å |
| 198 | N | 98.1 | Very high | 97.9 | Very high | 83 Ų | 83 | 99.3 Ų | 99.3 | 44% | 0.444 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 176.2 | -74.3 | -13.3 | 0 | 0 | 0 | 111.6 | K194 C195 S196 L201 E202 | K194-N198 PolarHBondContact O-N 2.89Å; K194-N198 VanDerWaalsContact O-N 3.12Å; C195-N198 PolarHBondContact O-N 3.05Å; S196-N198 VanDerWaalsContact C-N 3.32Å; S196-N198 PolarHBondContact O-N 2.99Å; N198-L201 WeakPolarHBondContact O-CB 3.18Å; N198-L201 PolarHBondContact O-N 2.92Å; N198-E202 WeakPolarHBondContact O-CG 3.38Å; N198-E202 PolarHBondContact O-N 2.97Å |
| 199 | Q | 97.7 | Very high | 97.8 | Very high | 127 Ų | 127 | 100.8 Ų | 100.8 | 59% | 0.593 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.6 | -43.8 | 176.5 | -71.9 | 173.5 | -12.7 | 0 | 0 | 112 | C195 S196 L201 E202 A203 | C195-Q199 WeakPolarHBondContact O-CG 3.45Å; C195-Q199 PolarHBondContact O-N 2.76Å; S196-Q199 WeakPolarHBondContact O-CB 3.32Å; S196-Q199 PolarHBondContact O-N 2.89Å; Q199-L201 VanDerWaalsContact C-N 3.32Å; Q199-L201 PolarHBondContact O-N 3.48Å; Q199-E202 PolarHBondContact O-N 3.22Å; Q199-A203 WeakPolarHBondContact O-CB 3.35Å; Q199-A203 PolarHBondContact O-N 2.88Å |
| 200 | T | 97.9 | Very high | 97.7 | Very high | 97 Ų | 97 | 103.3 Ų | 103.3 | 60% | 0.595 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.1 | -40.1 | 175.7 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | S196 Q197 G204 | S196-T200 PolarHBondContact O-N 3.37Å; S196-T200 PolarHBondContact O-OG1 3.4Å; Q197-T200 PolarHBondContact O-N 3.05Å; T200-G204 PolarHBondContact O-N 3.49Å |
| 201 | L | 97.8 | Very high | 97.6 | Very high | 94 Ų | 94 | 100.6 Ų | 100.6 | 49% | 0.492 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 175.8 | 178.9 | 63.4 | 0 | 0 | 0 | 111.7 | Q197 N198 Q199 G204 K205 | Q197-L201 WeakPolarHBondContact O-CB 3.38Å; Q197-L201 PolarHBondContact O-N 3.48Å; N198-L201 WeakPolarHBondContact O-CB 3.18Å; N198-L201 PolarHBondContact O-N 2.92Å; Q199-L201 VanDerWaalsContact C-N 3.32Å; Q199-L201 PolarHBondContact O-N 3.48Å; L201-G204 PolarHBondContact O-N 3.48Å; L201-K205 WeakPolarHBondContact O-CG 3.45Å; L201-K205 PolarHBondContact O-N 3.32Å |
| 202 | E | 98 | Very high | 97.5 | Very high | 104 Ų | 104 | 98.1 Ų | 98.1 | 49% | 0.486 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 178 | -66.8 | -51.4 | 130.3 | 0 | 0 | 112.1 | N198 Q199 G204 K205 E206 | N198-E202 WeakPolarHBondContact O-CG 3.38Å; N198-E202 PolarHBondContact O-N 2.97Å; Q199-E202 PolarHBondContact O-N 3.22Å; E202-G204 VanDerWaalsContact C-N 3.29Å; E202-G204 PolarHBondContact O-N 2.99Å; E202-K205 WeakPolarHBondContact O-CB 3.44Å; E202-K205 PolarHBondContact O-N 2.88Å; E202-K205 IonicContact OE1-NZ 2.74Å; E202-K205 PolarHBondContact OE1-NZ 3.38Å; E202-K205 IonicContact OE2-NZ 3.74Å; E202-E206 PolarHBondContact O-N 2.67Å |
| 203 | A | 97.8 | Very high | 97.3 | Very high | 49 Ų | 49 | 97.3 Ų | 97.3 | 41% | 0.405 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61 | -38.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q199 E206 M207 | Q199-A203 WeakPolarHBondContact O-CB 3.35Å; Q199-A203 PolarHBondContact O-N 2.88Å; A203-E206 PolarHBondContact O-N 3.3Å; A203-M207 WeakPolarHBondContact O-CG 3.27Å; A203-M207 PolarHBondContact O-N 3.42Å |
| 204 | G | 97.6 | Very high | 97.2 | Very high | 41 Ų | 41 | 97.8 Ų | 97.8 | 42% | 0.423 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | T200 L201 E202 H208 | T200-G204 PolarHBondContact O-N 3.49Å; L201-G204 PolarHBondContact O-N 3.48Å; E202-G204 VanDerWaalsContact C-N 3.29Å; E202-G204 PolarHBondContact O-N 2.99Å; G204-H208 PolarHBondContact O-N 2.9Å; G204-H208 VanDerWaalsContact O-N 3.09Å |
| 205 | K | 97.8 | Very high | 96.9 | Very high | 106 Ų | 106 | 96.6 Ų | 96.6 | 46% | 0.461 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64 | -46.8 | 174.9 | -69.9 | 173.1 | -175.7 | 168.7 | 0 | 111.8 | L201 E202 M207 H208 E209 | L201-K205 WeakPolarHBondContact O-CG 3.45Å; L201-K205 PolarHBondContact O-N 3.32Å; E202-K205 WeakPolarHBondContact O-CB 3.44Å; E202-K205 PolarHBondContact O-N 2.88Å; E202-K205 IonicContact OE1-NZ 2.74Å; E202-K205 PolarHBondContact OE1-NZ 3.38Å; E202-K205 IonicContact OE2-NZ 3.74Å; K205-M207 VanDerWaalsContact C-N 3.34Å; K205-M207 PolarHBondContact O-N 3.39Å; K205-H208 WeakPolarHBondContact O-CB 3.41Å; K205-H208 PolarHBondContact O-N 2.96Å; K205-H208 VanDerWaalsContact O-N 3.15Å; K205-E209 PolarHBondContact O-N 3.16Å |
| 206 | E | 97.6 | Very high | 96.6 | Very high | 100 Ų | 100 | 99.1 Ų | 99.1 | 47% | 0.467 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 179.2 | -172.3 | -172.1 | 167 | 0 | 0 | 111.7 | E202 A203 H208 E209 K210 | E202-E206 PolarHBondContact O-N 2.67Å; A203-E206 PolarHBondContact O-N 3.3Å; E206-H208 VanDerWaalsContact C-N 3.34Å; E206-H208 PolarHBondContact O-N 3.4Å; E206-E209 PolarHBondContact O-N 3.48Å; E206-K210 HydrophobicContact CG-CD 4.46Å; E206-K210 WeakPolarHBondContact O-CG 3.44Å; E206-K210 PolarHBondContact O-N 2.91Å; E206-K210 VanDerWaalsContact OE1-CE 3.22Å; E206-K210 WeakPolarHBondContact OE1-CE 3.33Å; E206-K210 IonicContact OE1-NZ 2.63Å; E206-K210 PolarHBondContact OE1-NZ 3.35Å |
| 207 | M | 97 | Very high | 96.3 | Very high | 132 Ų | 132 | 100 Ų | 100 | 65% | 0.65 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.6 | -39.5 | 175 | -72.1 | -134.4 | -61.1 | 0 | 0 | 112.4 | A203 K205 S211 | A203-M207 WeakPolarHBondContact O-CG 3.27Å; A203-M207 PolarHBondContact O-N 3.42Å; K205-M207 VanDerWaalsContact C-N 3.34Å; K205-M207 PolarHBondContact O-N 3.39Å; M207-S211 WeakPolarHBondContact O-CB 3.5Å; M207-S211 PolarHBondContact O-N 2.91Å; M207-S211 PolarHBondContact O-OG 2.82Å |
| 208 | H | 97.4 | Very high | 95.8 | Very high | 122 Ų | 122 | 98.6 Ų | 98.6 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.9 | -46.1 | 176.4 | -180 | 33.1 | 0 | 0 | 0 | 111.3 | G204 K205 E206 S211 M212 | G204-H208 PolarHBondContact O-N 2.9Å; G204-H208 VanDerWaalsContact O-N 3.09Å; K205-H208 WeakPolarHBondContact O-CB 3.41Å; K205-H208 PolarHBondContact O-N 2.96Å; K205-H208 VanDerWaalsContact O-N 3.15Å; E206-H208 VanDerWaalsContact C-N 3.34Å; E206-H208 PolarHBondContact O-N 3.4Å; H208-S211 WeakPolarHBondContact O-CB 3.19Å; H208-S211 PolarHBondContact O-N 3.47Å; H208-M212 VanDerWaalsContact CE1-CG 3.49Å; H208-M212 WeakPolarHBondContact CE1-CG 3.42Å; H208-M212 WeakPolarHBondContact O-CG 3.47Å; H208-M212 PolarHBondContact O-N 3.17Å |
| 209 | E | 96.7 | Very high | 95 | Very high | 139 Ų | 139 | 97.4 Ų | 97.4 | 65% | 0.65 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.7 | -50 | 177.5 | -174.2 | 172.2 | -169.2 | 0 | 0 | 111.7 | K205 E206 S211 M212 E213 | K205-E209 PolarHBondContact O-N 3.16Å; E206-E209 PolarHBondContact O-N 3.48Å; E209-S211 VanDerWaalsContact C-N 3.3Å; E209-S211 PolarHBondContact O-N 3.14Å; E209-M212 PolarHBondContact O-N 2.74Å; E209-E213 PolarHBondContact O-N 3.41Å |
| 210 | K | 96.5 | Very high | 94 | Very high | 110 Ų | 110 | 96.5 Ų | 96.5 | 48% | 0.478 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.2 | -40.3 | 175 | -73 | 176.5 | -175.2 | 168.9 | 0 | 112.7 | E206 E213 V214 | E206-K210 HydrophobicContact CG-CD 4.46Å; E206-K210 WeakPolarHBondContact O-CG 3.44Å; E206-K210 PolarHBondContact O-N 2.91Å; E206-K210 VanDerWaalsContact OE1-CE 3.22Å; E206-K210 WeakPolarHBondContact OE1-CE 3.33Å; E206-K210 IonicContact OE1-NZ 2.63Å; E206-K210 PolarHBondContact OE1-NZ 3.35Å; K210-E213 PolarHBondContact O-N 2.94Å; K210-V214 WeakPolarHBondContact O-CG2 3.25Å; K210-V214 PolarHBondContact O-N 3.17Å |
| 211 | S | 95.9 | Very high | 92.3 | Very high | 67 Ų | 67 | 100.3 Ų | 100.3 | 47% | 0.469 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.6 | -42.7 | 178.3 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | M207 H208 E209 V214 L215 | M207-S211 WeakPolarHBondContact O-CB 3.5Å; M207-S211 PolarHBondContact O-N 2.91Å; M207-S211 PolarHBondContact O-OG 2.82Å; H208-S211 WeakPolarHBondContact O-CB 3.19Å; H208-S211 PolarHBondContact O-N 3.47Å; E209-S211 VanDerWaalsContact C-N 3.3Å; E209-S211 PolarHBondContact O-N 3.14Å; S211-V214 PolarHBondContact O-N 2.9Å; S211-L215 WeakPolarHBondContact O-CG 3.4Å; S211-L215 PolarHBondContact O-N 3.35Å; S211-L215 VanDerWaalsContact O-N 3.08Å |
| 212 | M | 95.1 | Very high | 90 | Very high | 82 Ų | 82 | 105.8 Ų | 105.8 | 40% | 0.404 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.7 | -40.1 | 176.3 | -69.9 | -60.3 | -63.6 | 0 | 0 | 111.9 | H208 E209 L215 M216 | H208-M212 VanDerWaalsContact CE1-CG 3.49Å; H208-M212 WeakPolarHBondContact CE1-CG 3.42Å; H208-M212 WeakPolarHBondContact O-CG 3.47Å; H208-M212 PolarHBondContact O-N 3.17Å; E209-M212 PolarHBondContact O-N 2.74Å; M212-L215 PolarHBondContact O-N 3.27Å; M212-L215 HydrophobicContact SD-CD1 4.45Å; M212-M216 HydrophobicContact CB-CE 4.07Å; M212-M216 WeakPolarHBondContact O-CE 3.36Å; M212-M216 WeakPolarHBondContact O-CG 3.21Å; M212-M216 PolarHBondContact O-N 2.9Å |
| 213 | E | 94.9 | Very high | 89.6 | Confident | 111 Ų | 111 | 105.9 Ų | 105.9 | 52% | 0.519 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61 | -46.1 | 175.1 | -174.8 | -179.3 | -175.7 | 0 | 0 | 112.1 | E209 K210 L215 M216 N217 | E209-E213 PolarHBondContact O-N 3.41Å; K210-E213 PolarHBondContact O-N 2.94Å; E213-L215 VanDerWaalsContact C-N 3.35Å; E213-L215 PolarHBondContact O-N 3.49Å; E213-M216 PolarHBondContact O-N 3.05Å; E213-N217 WeakPolarHBondContact O-CB 3.47Å; E213-N217 VanDerWaalsContact O-CG 3.29Å; E213-N217 PolarHBondContact O-N 3.25Å; E213-N217 PolarHBondContact O-ND2 3.19Å; E213-N217 VanDerWaalsContact O-ND2 3.14Å |
| 214 | V | 94.6 | Very high | 89.2 | Confident | 86 Ų | 86 | 108.9 Ų | 108.9 | 52% | 0.521 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -59.6 | -44.7 | 175.6 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | K210 S211 N217 L218 | K210-V214 WeakPolarHBondContact O-CG2 3.25Å; K210-V214 PolarHBondContact O-N 3.17Å; S211-V214 PolarHBondContact O-N 2.9Å; V214-N217 PolarHBondContact O-N 3.4Å; V214-L218 HydrophobicContact CG1-CD1 3.83Å; V214-L218 WeakPolarHBondContact O-CD1 3.45Å; V214-L218 PolarHBondContact O-N 2.94Å |
| 215 | L | 93.2 | Very high | 88.7 | Confident | 112 Ų | 112 | 112.7 Ų | 112.7 | 59% | 0.586 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.1 | -42.6 | 177.4 | -71.2 | 173.8 | 0 | 0 | 0 | 112.4 | S211 M212 E213 L218 G219 | S211-L215 WeakPolarHBondContact O-CG 3.4Å; S211-L215 PolarHBondContact O-N 3.35Å; S211-L215 VanDerWaalsContact O-N 3.08Å; M212-L215 PolarHBondContact O-N 3.27Å; M212-L215 HydrophobicContact SD-CD1 4.45Å; E213-L215 VanDerWaalsContact C-N 3.35Å; E213-L215 PolarHBondContact O-N 3.49Å; L215-L218 PolarHBondContact O-N 2.91Å; L215-G219 PolarHBondContact O-N 3.27Å; L215-G219 VanDerWaalsContact O-N 3.11Å |
| 216 | M | 91.2 | Very high | 88.2 | Confident | 119 Ų | 119 | 113.1 Ų | 113.1 | 59% | 0.586 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.1 | -42.4 | 175.3 | -75.8 | -173.6 | -96.1 | 0 | 0 | 111.8 | M212 E213 L218 G219 T220 | M212-M216 HydrophobicContact CB-CE 4.07Å; M212-M216 WeakPolarHBondContact O-CE 3.36Å; M212-M216 WeakPolarHBondContact O-CG 3.21Å; M212-M216 PolarHBondContact O-N 2.9Å; E213-M216 PolarHBondContact O-N 3.05Å; M216-L218 VanDerWaalsContact C-N 3.33Å; M216-L218 PolarHBondContact O-N 3Å; M216-G219 PolarHBondContact O-N 3.45Å; M216-T220 PolarHBondContact O-N 3.16Å; M216-T220 PolarHBondContact O-OG1 3.37Å |
| 217 | N | 91.3 | Very high | 87.6 | Confident | 82 Ų | 82 | 113.9 Ų | 113.9 | 44% | 0.439 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69.7 | -25.8 | 178.6 | -73.2 | -33.8 | 0 | 0 | 0 | 113.9 | E213 V214 T220 | E213-N217 WeakPolarHBondContact O-CB 3.47Å; E213-N217 VanDerWaalsContact O-CG 3.29Å; E213-N217 PolarHBondContact O-N 3.25Å; E213-N217 PolarHBondContact O-ND2 3.19Å; E213-N217 VanDerWaalsContact O-ND2 3.14Å; V214-N217 PolarHBondContact O-N 3.4Å; N217-T220 PolarHBondContact O-OG1 2.91Å |
| 218 | L | 88.2 | Confident | 87 | Confident | 108 Ų | 108 | 112.7 Ų | 112.7 | 57% | 0.565 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -74.7 | -38.4 | 171.7 | -83.1 | 153.3 | 0 | 0 | 0 | 111.4 | V214 L215 M216 T220 K221 | V214-L218 HydrophobicContact CG1-CD1 3.83Å; V214-L218 WeakPolarHBondContact O-CD1 3.45Å; V214-L218 PolarHBondContact O-N 2.94Å; L215-L218 PolarHBondContact O-N 2.91Å; M216-L218 VanDerWaalsContact C-N 3.33Å; M216-L218 PolarHBondContact O-N 3Å; L218-T220 VanDerWaalsContact C-N 3.29Å; L218-T220 PolarHBondContact O-N 3.22Å; L218-K221 PolarHBondContact O-N 3.12Å |
| 219 | G | 81.2 | Confident | 86.2 | Confident | 57 Ų | 57 | 112 Ų | 112 | 59% | 0.588 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.1 | -23.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L215 M216 | L215-G219 PolarHBondContact O-N 3.27Å; L215-G219 VanDerWaalsContact O-N 3.11Å; M216-G219 PolarHBondContact O-N 3.45Å |
| 220 | T | 76.2 | Confident | 85.4 | Confident | 108 Ų | 108 | 109.9 Ų | 109.9 | 66% | 0.663 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -7.1 | 178.7 | 52.7 | 0 | 0 | 0 | 0 | 114.3 | M216 N217 L218 | M216-T220 PolarHBondContact O-N 3.16Å; M216-T220 PolarHBondContact O-OG1 3.37Å; N217-T220 PolarHBondContact O-OG1 2.91Å; L218-T220 VanDerWaalsContact C-N 3.29Å; L218-T220 PolarHBondContact O-N 3.22Å |
| 221 | K | 62.7 | Low | 84.5 | Confident | 177 Ų | 177 | 109.9 Ų | 109.9 | 77% | 0.77 | 60% | 0.603 | S | S | * | * | trans | -98.1 | 4.7 | -178.9 | -77 | -177.4 | 178.9 | 176.7 | 0 | 114.7 | L218 | L218-K221 PolarHBondContact O-N 3.12Š| ||
| 222 | N | 49.4 | Very low | 83.5 | Confident | 210 Ų | 210 | 113.8 Ų | 113.8 | 100% | 1.123 | 62% | 0.615 | S | S | * | * | trans | -112.9 | 0 | 169.8 | -75.1 | -22.5 | 0 | 0 | 0 | 110.1 |
Retrieved 222 of 222 residues in 147.5 ms
(Link to these results)