| 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 | 36.2 | Very low | 39.8 | Very low | 250 Ų | 250 | 153.6 Ų | 153.6 | 100% | 1.232 | 84% | 0.835 | S | S | * | * | 0 | 127.5 | 0 | -147.8 | 160.7 | -177.5 | 0 | 0 | 105.6 | |||||
| 2 | E | 34.2 | Very low | 39.9 | Very low | 193 Ų | 193 | 156.5 Ų | 156.5 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | trans | -73.1 | 165.7 | -163.5 | -67 | 167 | 122.4 | 0 | 0 | 113.6 | ||||
| 3 | E | 39.2 | Very low | 40.2 | Very low | 173 Ų | 173 | 148.4 Ų | 148.4 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | trans | -64 | 173.3 | 171.5 | -61.5 | -167.7 | 146.3 | 0 | 0 | 112.6 | ||||
| 4 | P | 45.1 | Very low | 41 | Very low | 130 Ų | 130 | 145.4 Ų | 145.4 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | -125.6 | 129.6 | 111.2 | 34.6 | -30.6 | 0 | 0 | 0 | 113 | |||||
| 5 | G | 37.6 | Very low | 41.5 | Very low | 58 Ų | 58 | 143.8 Ų | 143.8 | 60% | 0.598 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 153.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 6 | T | 36.2 | Very low | 42 | Very low | 148 Ų | 148 | 140.7 Ų | 140.7 | 91% | 0.908 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 123.5 | 174.9 | 33.4 | 0 | 0 | 0 | 0 | 111.6 | ||
| 7 | T | 36.3 | Very low | 42.4 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 80% | 0.798 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 142.7 | 176.4 | 40.2 | 0 | 0 | 0 | 0 | 112 | ||
| 8 | P | 42.4 | Very low | 43.1 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -72 | 134.8 | 172.3 | 29.1 | -33 | 0 | 0 | 0 | 110.8 | ||
| 9 | Q | 39.5 | Very low | 43.7 | Very low | 185 Ų | 185 | 134.4 Ų | 134.4 | 86% | 0.864 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 139.3 | 176.1 | -79.2 | -177.4 | -36.6 | 0 | 0 | 111.8 | ||
| 10 | P | 45.3 | Very low | 44.2 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 66% | 0.656 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 131.6 | 177.7 | 28.2 | -33.2 | 0 | 0 | 0 | 111.8 | W12 | P10-W12 PolarHBondContact O-N 2.94Š|
| 11 | Y | 46.3 | Very low | 44.7 | Very low | 201 Ų | 201 | 138.4 Ų | 138.4 | 79% | 0.788 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 9.8 | -177.7 | -139.8 | -100.1 | 0 | 0 | 0 | 115.5 | ||
| 12 | W | 40.1 | Very low | 45.7 | Very low | 188 Ų | 188 | 131.7 Ų | 131.7 | 71% | 0.712 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -16.4 | -174.3 | -72.9 | 105.1 | 0 | 0 | 0 | 114.3 | P10 L15 | P10-W12 PolarHBondContact O-N 2.94Å; W12-L15 HydrophobicContact CZ3-CD1 4.34Å |
| 13 | G | 43.7 | Very low | 46.6 | Very low | 51 Ų | 51 | 129.1 Ų | 129.1 | 53% | 0.526 | 68% | 0.675 | S | S | . | * | S | Bend | trans | -63.6 | -42.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L15 L16 E17 | G13-L15 VanDerWaalsContact C-N 3.28Å; G13-L15 PolarHBondContact O-N 3.01Å; G13-L16 PolarHBondContact O-N 3.23Å; G13-E17 PolarHBondContact O-N 3.42Å |
| 14 | L | 51.5 | Low | 47.3 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 56% | 0.555 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -64.4 | -30.4 | -177.4 | -74.4 | 162.2 | 0 | 0 | 0 | 113.1 | L16 E17 | L14-L16 VanDerWaalsContact C-N 3.3Å; L14-L16 PolarHBondContact O-N 3.47Å; L14-E17 PolarHBondContact O-N 3.11Å |
| 15 | L | 48.6 | Very low | 47.5 | Very low | 122 Ų | 122 | 122.6 Ų | 122.6 | 64% | 0.639 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -76.6 | -14.6 | -177.3 | -126.1 | 154 | 0 | 0 | 0 | 113.3 | W12 G13 | W12-L15 HydrophobicContact CZ3-CD1 4.34Å; G13-L15 VanDerWaalsContact C-N 3.28Å; G13-L15 PolarHBondContact O-N 3.01Å |
| 16 | L | 49.5 | Very low | 47.8 | Very low | 94 Ų | 94 | 124 Ų | 124 | 49% | 0.492 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -99.9 | -10.4 | 170.6 | -79.5 | 99 | 0 | 0 | 0 | 113.7 | G13 L14 | G13-L16 PolarHBondContact O-N 3.23Å; L14-L16 VanDerWaalsContact C-N 3.3Å; L14-L16 PolarHBondContact O-N 3.47Å |
| 17 | E | 49.3 | Very low | 48.3 | Very low | 90 Ų | 90 | 121.6 Ų | 121.6 | 42% | 0.421 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -84.3 | -37.3 | -177.1 | -139.2 | -169.7 | 137 | 0 | 0 | 112.6 | G13 L14 R20 R21 | G13-E17 PolarHBondContact O-N 3.42Å; L14-E17 PolarHBondContact O-N 3.11Å; E17-R20 PolarHBondContact O-N 3.39Å; E17-R21 PolarHBondContact O-N 3.17Å; E17-R21 IonicContact OE1-CZ 2.62Å; E17-R21 IonicContact OE1-NE 3.62Å; E17-R21 IonicContact OE1-NH2 3.75Å; E17-R21 PolarHBondContact OE1-NH2 3.31Å |
| 18 | E | 54.4 | Low | 48.8 | Very low | 152 Ų | 152 | 122 Ų | 122 | 71% | 0.71 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -59.7 | -50.1 | 174.1 | -70.1 | -152.4 | 139.9 | 0 | 0 | 114.4 | R20 R21 V22 | E18-R20 PolarHBondContact O-N 3.4Å; E18-R21 PolarHBondContact O-N 3.15Å; E18-V22 WeakPolarHBondContact O-CG2 3.46Å; E18-V22 PolarHBondContact O-N 3.1Å |
| 19 | P | 54.3 | Low | 48.6 | Very low | 61 Ų | 61 | 120.1 Ų | 120.1 | 40% | 0.396 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -62.2 | -28.3 | 179.8 | 22.5 | -33.2 | 0 | 0 | 0 | 112.9 | M23 | P19-M23 WeakPolarHBondContact O-CB 3.38Å; P19-M23 PolarHBondContact O-N 3.44Å |
| 20 | R | 54.2 | Low | 49 | Very low | 179 Ų | 179 | 120.8 Ų | 120.8 | 68% | 0.675 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.9 | -39 | 173.3 | -74.3 | -179 | 169.5 | -174 | -3.1 | 112.6 | E17 E18 M23 A24 | E17-R20 PolarHBondContact O-N 3.39Å; E18-R20 PolarHBondContact O-N 3.4Å; R20-M23 PolarHBondContact O-N 3.41Å; R20-A24 PolarHBondContact O-N 2.93Å |
| 21 | R | 55.2 | Low | 49.2 | Very low | 173 Ų | 173 | 122.7 Ų | 122.7 | 65% | 0.653 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.7 | -37.3 | 174 | -68.2 | -174.1 | -169.4 | -153.8 | 4.7 | 112.3 | E17 E18 A24 A25 | E17-R21 PolarHBondContact O-N 3.17Å; E17-R21 IonicContact OE1-CZ 2.62Å; E17-R21 IonicContact OE1-NE 3.62Å; E17-R21 IonicContact OE1-NH2 3.75Å; E17-R21 PolarHBondContact OE1-NH2 3.31Å; E18-R21 PolarHBondContact O-N 3.15Å; R21-A24 PolarHBondContact O-N 3.44Å; R21-A25 PolarHBondContact O-N 3.38Å |
| 22 | V | 57 | Low | 49.3 | Very low | 109 Ų | 109 | 119 Ų | 119 | 66% | 0.661 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.8 | -37.1 | 175.4 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | E18 A24 A25 | E18-V22 WeakPolarHBondContact O-CG2 3.46Å; E18-V22 PolarHBondContact O-N 3.1Å; V22-A24 VanDerWaalsContact C-N 3.31Å; V22-A24 PolarHBondContact O-N 3.35Å; V22-A25 PolarHBondContact O-N 3.39Å |
| 23 | M | 52.2 | Low | 49.6 | Very low | 140 Ų | 140 | 116.4 Ų | 116.4 | 69% | 0.69 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66 | -30 | 173.5 | -119 | 174.4 | -77.2 | 0 | 0 | 113.6 | P19 R20 A25 | P19-M23 WeakPolarHBondContact O-CB 3.38Å; P19-M23 PolarHBondContact O-N 3.44Å; R20-M23 PolarHBondContact O-N 3.41Å; M23-A25 VanDerWaalsContact C-N 3.34Å |
| 24 | A | 54.6 | Low | 50 | Low | 82 Ų | 82 | 119.4 Ų | 119.4 | 68% | 0.678 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -79.7 | -11.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | R20 R21 V22 | R20-A24 PolarHBondContact O-N 2.93Å; R21-A24 PolarHBondContact O-N 3.44Å; V22-A24 VanDerWaalsContact C-N 3.31Å; V22-A24 PolarHBondContact O-N 3.35Å |
| 25 | A | 49.6 | Very low | 49.8 | Very low | 83 Ų | 83 | 119.3 Ų | 119.3 | 69% | 0.686 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | 9.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R21 V22 M23 | R21-A25 PolarHBondContact O-N 3.38Å; V22-A25 PolarHBondContact O-N 3.39Å; M23-A25 VanDerWaalsContact C-N 3.34Å |
| 26 | L | 43.4 | Very low | 49.6 | Very low | 87 Ų | 87 | 120 Ų | 120 | 46% | 0.455 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -93.7 | 140 | -179.1 | -162.6 | 68.1 | 0 | 0 | 0 | 110.9 | R30 | L26-R30 HydrophobicContact CD2-CB 3.66Å; L26-R30 HydrophobicContact CG-CB 4.2Å |
| 27 | P | 46.7 | Very low | 49.9 | Very low | 99 Ų | 99 | 125.3 Ų | 125.3 | 64% | 0.643 | 67% | 0.671 | S | S | * | * | trans | -57.9 | 146.3 | -177.2 | -25.8 | 34.5 | 0 | 0 | 0 | 113.8 | G29 R30 | P27-G29 PolarHBondContact O-N 3.33Å; P27-R30 PolarHBondContact O-N 2.89Å; P27-R30 VanDerWaalsContact O-N 3.08Å | ||
| 28 | E | 46.4 | Very low | 50.2 | Low | 138 Ų | 138 | 125.2 Ų | 125.2 | 65% | 0.645 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -45.8 | -29.4 | -173.1 | -117.2 | 76.3 | -149.1 | 0 | 0 | 115.6 | R30 R31 | E28-R30 VanDerWaalsContact C-N 3.28Å; E28-R30 PolarHBondContact O-N 2.93Å; E28-R31 IonicContact OE1-CZ 2.69Å; E28-R31 IonicContact OE1-NH1 3.9Å; E28-R31 PolarHBondContact OE1-NH1 3.04Å; E28-R31 IonicContact OE1-NH2 2.76Å; E28-R31 PolarHBondContact OE1-NH2 3.27Å |
| 29 | G | 38.8 | Very low | 50.1 | Low | 81 Ų | 81 | 125 Ų | 125 | 84% | 0.835 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -76.5 | 6.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | P27 | P27-G29 PolarHBondContact O-N 3.33Š|
| 30 | R | 47 | Very low | 50.7 | Low | 199 Ų | 199 | 125.3 Ų | 125.3 | 75% | 0.751 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -128.6 | 18.9 | 176.4 | -87.3 | -165.4 | -172.5 | 174 | 5.2 | 115 | L26 P27 E28 | L26-R30 HydrophobicContact CD2-CB 3.66Å; L26-R30 HydrophobicContact CG-CB 4.2Å; P27-R30 PolarHBondContact O-N 2.89Å; P27-R30 VanDerWaalsContact O-N 3.08Å; E28-R30 VanDerWaalsContact C-N 3.28Å; E28-R30 PolarHBondContact O-N 2.93Å |
| 31 | R | 49.5 | Very low | 51 | Low | 141 Ų | 141 | 125.8 Ų | 125.8 | 53% | 0.532 | 70% | 0.695 | S | S | . | * | S | Bend | trans | -68.6 | 130.4 | 163 | -67.8 | -171.1 | -177.7 | 131 | 14.3 | 108.8 | E28 D33 | E28-R31 IonicContact OE1-CZ 2.69Å; E28-R31 IonicContact OE1-NH1 3.9Å; E28-R31 PolarHBondContact OE1-NH1 3.04Å; E28-R31 IonicContact OE1-NH2 2.76Å; E28-R31 PolarHBondContact OE1-NH2 3.27Å; R31-D33 PolarHBondContact O-N 3.36Å |
| 32 | P | 48.9 | Very low | 51.5 | Low | 124 Ų | 124 | 123.2 Ų | 123.2 | 81% | 0.805 | 69% | 0.69 | S | S | * | * | trans | -78.3 | 70.2 | 178.1 | 32.6 | -34.9 | 0 | 0 | 0 | 110.4 | S34 | P32-S34 PolarHBondContact O-N 3.01Š| ||
| 33 | D | 46.8 | Very low | 52.2 | Low | 133 Ų | 133 | 123 Ų | 123 | 71% | 0.711 | 68% | 0.684 | S | S | * | * | trans | -72.1 | 97.8 | 171.1 | -71.1 | -18.9 | 0 | 0 | 0 | 109.1 | R31 | R31-D33 PolarHBondContact O-N 3.36Š| ||
| 34 | S | 52.8 | Low | 53.3 | Low | 114 Ų | 114 | 119.4 Ų | 119.4 | 80% | 0.797 | 67% | 0.671 | S | S | * | * | trans | 52.8 | 75 | 162.2 | 55.7 | 0 | 0 | 0 | 0 | 117.5 | P32 | P32-S34 PolarHBondContact O-N 3.01Š| ||
| 35 | T | 45.8 | Very low | 54.3 | Low | 105 Ų | 105 | 120.2 Ų | 120.2 | 64% | 0.644 | 66% | 0.663 | S | S | * | * | trans | -81.2 | 142.8 | 156.2 | 51.7 | 0 | 0 | 0 | 0 | 111 | Y37 | T35-Y37 PolarHBondContact O-N 3.13Š| ||
| 36 | P | 45.8 | Very low | 55.4 | Low | 137 Ų | 137 | 123 Ų | 123 | 89% | 0.89 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -77.4 | 19.2 | -161 | 32.1 | -38.9 | 0 | 0 | 0 | 116.5 | ||
| 37 | Y | 56 | Low | 57 | Low | 205 Ų | 205 | 122 Ų | 122 | 80% | 0.804 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -129.5 | 97.4 | 177.2 | -126.2 | -103 | 0 | 0 | 0 | 108.9 | T35 F39 | T35-Y37 PolarHBondContact O-N 3.13Å; Y37-F39 VanDerWaalsContact C-N 3.27Å; Y37-F39 PolarHBondContact O-N 2.86Å |
| 38 | G | 54.6 | Low | 58.5 | Low | 88 Ų | 88 | 120.2 Ų | 120.2 | 91% | 0.907 | 65% | 0.653 | S | S | * | * | trans | -74.1 | 64 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 39 | F | 52.3 | Low | 60.3 | Low | 146 Ų | 146 | 117.3 Ų | 117.3 | 64% | 0.64 | 64% | 0.644 | S | S | * | * | trans | -101.4 | 125.7 | 175.3 | -134.6 | -92.9 | 0 | 0 | 0 | 111.3 | Y37 W41 V44 | Y37-F39 VanDerWaalsContact C-N 3.27Å; Y37-F39 PolarHBondContact O-N 2.86Å; F39-W41 PolarHBondContact O-N 3.27Å; F39-W41 VanDerWaalsContact O-N 3.11Å; F39-V44 HydrophobicContact CD1-CG2 4.39Å | ||
| 40 | P | 68.3 | Low | 62.5 | Low | 69 Ų | 69 | 118.3 Ų | 118.3 | 45% | 0.448 | 63% | 0.634 | S | S | . | * | trans | -71.6 | 108.2 | -176 | -17.4 | 31.1 | 0 | 0 | 0 | 112.1 | E42 L43 | P40-E42 PolarHBondContact O-N 2.79Å; P40-E42 VanDerWaalsContact O-N 3.15Å; P40-L43 HydrophobicContact CB-CD1 4.16Å; P40-L43 HydrophobicContact CB-CG 4.27Å; P40-L43 HydrophobicContact CG-CD1 4.09Å; P40-L43 WeakPolarHBondContact O-CB 3.46Å; P40-L43 PolarHBondContact O-N 3.29Å | ||
| 41 | W | 59.1 | Low | 64.1 | Low | 188 Ų | 188 | 110.3 Ų | 110.3 | 71% | 0.712 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -58.6 | -26 | 177.1 | -80.9 | 87.3 | 0 | 0 | 0 | 113.5 | F39 L43 V44 I45 | F39-W41 PolarHBondContact O-N 3.27Å; F39-W41 VanDerWaalsContact O-N 3.11Å; W41-L43 VanDerWaalsContact C-N 3.29Å; W41-L43 PolarHBondContact O-N 3.42Å; W41-V44 PolarHBondContact O-N 2.82Å; W41-I45 VanDerWaalsContact O-CG1 3.3Å; W41-I45 WeakPolarHBondContact O-CG1 3.48Å; W41-I45 PolarHBondContact O-N 3.14Å |
| 42 | E | 66.1 | Low | 65.8 | Low | 120 Ų | 120 | 111 Ų | 111 | 56% | 0.561 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -59.6 | -36.5 | 172.2 | -67 | -164.8 | 143.2 | 0 | 0 | 113.1 | P40 R46 | P40-E42 PolarHBondContact O-N 2.79Å; P40-E42 VanDerWaalsContact O-N 3.15Å; E42-R46 WeakPolarHBondContact O-CB 3.46Å; E42-R46 VanDerWaalsContact O-CG 3.26Å; E42-R46 WeakPolarHBondContact O-CG 3.44Å; E42-R46 PolarHBondContact O-N 2.96Å |
| 43 | L | 72.1 | Confident | 67.3 | Low | 103 Ų | 103 | 111.9 Ų | 111.9 | 54% | 0.539 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -71.8 | -37.7 | 176.8 | -69.3 | 174.2 | 0 | 0 | 0 | 111.1 | P40 W41 R46 A47 | P40-L43 HydrophobicContact CB-CD1 4.16Å; P40-L43 HydrophobicContact CB-CG 4.27Å; P40-L43 HydrophobicContact CG-CD1 4.09Å; P40-L43 WeakPolarHBondContact O-CB 3.46Å; P40-L43 PolarHBondContact O-N 3.29Å; W41-L43 VanDerWaalsContact C-N 3.29Å; W41-L43 PolarHBondContact O-N 3.42Å; L43-R46 PolarHBondContact O-N 3.49Å; L43-A47 VanDerWaalsContact O-CB 3.26Å; L43-A47 WeakPolarHBondContact O-CB 3.46Å; L43-A47 PolarHBondContact O-N 3.26Å |
| 44 | V | 75.2 | Confident | 69 | Low | 66 Ų | 66 | 107.2 Ų | 107.2 | 40% | 0.4 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.9 | -44.7 | 175.2 | -177.7 | 0 | 0 | 0 | 0 | 110.5 | F39 W41 A47 A48 | F39-V44 HydrophobicContact CD1-CG2 4.39Å; W41-V44 PolarHBondContact O-N 2.82Å; V44-A47 PolarHBondContact O-N 2.88Å; V44-A48 VanDerWaalsContact O-CB 3.29Å; V44-A48 WeakPolarHBondContact O-CB 3.32Å; V44-A48 PolarHBondContact O-N 3.14Å |
| 45 | I | 74.8 | Confident | 70.5 | Confident | 99 Ų | 99 | 106 Ų | 106 | 51% | 0.508 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.3 | -44.5 | 177.5 | -66.7 | 163.8 | 0 | 0 | 0 | 110.8 | W41 A47 A48 V49 | W41-I45 VanDerWaalsContact O-CG1 3.3Å; W41-I45 WeakPolarHBondContact O-CG1 3.48Å; W41-I45 PolarHBondContact O-N 3.14Å; I45-A47 PolarHBondContact O-N 3.1Å; I45-A48 PolarHBondContact O-N 3.15Å; I45-V49 HydrophobicContact CG2-CG2 4.48Å; I45-V49 WeakPolarHBondContact O-CG2 3.4Å; I45-V49 PolarHBondContact O-N 2.95Å |
| 46 | R | 74.1 | Confident | 72.1 | Confident | 142 Ų | 142 | 104.3 Ų | 104.3 | 54% | 0.536 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.7 | -43.9 | 175.4 | -73.6 | 177 | -169.1 | -168.2 | 7.8 | 111.9 | E42 L43 V49 V50 | E42-R46 WeakPolarHBondContact O-CB 3.46Å; E42-R46 VanDerWaalsContact O-CG 3.26Å; E42-R46 WeakPolarHBondContact O-CG 3.44Å; E42-R46 PolarHBondContact O-N 2.96Å; L43-R46 PolarHBondContact O-N 3.49Å; R46-V49 PolarHBondContact O-N 2.87Å; R46-V50 WeakPolarHBondContact O-CB 3.44Å; R46-V50 VanDerWaalsContact O-CG2 3.3Å; R46-V50 WeakPolarHBondContact O-CG2 3.38Å; R46-V50 PolarHBondContact O-N 3.19Å |
| 47 | A | 76.3 | Confident | 73.9 | Confident | 64 Ų | 64 | 103.7 Ų | 103.7 | 53% | 0.529 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.8 | -41.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L43 V44 I45 V50 G51 | L43-A47 VanDerWaalsContact O-CB 3.26Å; L43-A47 WeakPolarHBondContact O-CB 3.46Å; L43-A47 PolarHBondContact O-N 3.26Å; V44-A47 PolarHBondContact O-N 2.88Å; I45-A47 PolarHBondContact O-N 3.1Å; A47-V50 PolarHBondContact O-N 3.43Å; A47-G51 PolarHBondContact O-N 3.11Å |
| 48 | A | 78.3 | Confident | 75.1 | Confident | 63 Ų | 63 | 100.7 Ų | 100.7 | 52% | 0.521 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V44 I45 G51 F52 | V44-A48 VanDerWaalsContact O-CB 3.29Å; V44-A48 WeakPolarHBondContact O-CB 3.32Å; V44-A48 PolarHBondContact O-N 3.14Å; I45-A48 PolarHBondContact O-N 3.15Å; A48-G51 PolarHBondContact O-N 2.85Å; A48-F52 VanDerWaalsContact O-CB 3.31Å; A48-F52 WeakPolarHBondContact O-CB 3.31Å; A48-F52 PolarHBondContact O-N 2.84Å |
| 49 | V | 83.3 | Confident | 76.6 | Confident | 76 Ų | 76 | 101.9 Ų | 101.9 | 46% | 0.461 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65 | -45.9 | 176.3 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | I45 R46 G51 F52 F53 | I45-V49 HydrophobicContact CG2-CG2 4.48Å; I45-V49 WeakPolarHBondContact O-CG2 3.4Å; I45-V49 PolarHBondContact O-N 2.95Å; R46-V49 PolarHBondContact O-N 2.87Å; V49-G51 VanDerWaalsContact C-N 3.34Å; V49-G51 PolarHBondContact O-N 3.06Å; V49-F52 PolarHBondContact O-N 3.11Å; V49-F53 HydrophobicContact CG1-CD2 4.02Å; V49-F53 HydrophobicContact CG1-CE2 3.9Å; V49-F53 VanDerWaalsContact O-CD2 3.28Å; V49-F53 WeakPolarHBondContact O-CD2 3.23Å; V49-F53 PolarHBondContact O-N 2.99Å |
| 50 | V | 84.9 | Confident | 77.7 | Confident | 103 Ų | 103 | 102.7 Ų | 102.7 | 62% | 0.624 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62 | -42.5 | 176.3 | 171.3 | 0 | 0 | 0 | 0 | 111 | R46 A47 F53 A54 | R46-V50 WeakPolarHBondContact O-CB 3.44Å; R46-V50 VanDerWaalsContact O-CG2 3.3Å; R46-V50 WeakPolarHBondContact O-CG2 3.38Å; R46-V50 PolarHBondContact O-N 3.19Å; A47-V50 PolarHBondContact O-N 3.43Å; V50-F53 PolarHBondContact O-N 3.45Å; V50-A54 VanDerWaalsContact O-CB 3.24Å; V50-A54 WeakPolarHBondContact O-CB 3.31Å; V50-A54 PolarHBondContact O-N 3.37Å |
| 51 | G | 81.4 | Confident | 78.4 | Confident | 31 Ų | 31 | 107 Ų | 107 | 32% | 0.32 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61 | -43.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A47 A48 V49 F53 A54 V55 | A47-G51 PolarHBondContact O-N 3.11Å; A48-G51 PolarHBondContact O-N 2.85Å; V49-G51 VanDerWaalsContact C-N 3.34Å; V49-G51 PolarHBondContact O-N 3.06Å; G51-F53 VanDerWaalsContact C-N 3.3Å; G51-F53 PolarHBondContact O-N 3.01Å; G51-A54 PolarHBondContact O-N 3.41Å; G51-V55 WeakPolarHBondContact O-CG2 3.39Å; G51-V55 PolarHBondContact O-N 2.82Å |
| 52 | F | 84.2 | Confident | 79.2 | Confident | 155 Ų | 155 | 101.2 Ų | 101.2 | 68% | 0.68 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62 | -33.6 | 179.8 | -174.1 | -96.2 | 0 | 0 | 0 | 113.1 | A48 V49 P56 | A48-F52 VanDerWaalsContact O-CB 3.31Å; A48-F52 WeakPolarHBondContact O-CB 3.31Å; A48-F52 PolarHBondContact O-N 2.84Å; V49-F52 PolarHBondContact O-N 3.11Å; F52-P56 WeakPolarHBondContact O-CD 3.42Å; F52-P56 VanDerWaalsContact O-CG 3.28Å; F52-P56 WeakPolarHBondContact O-CG 3.5Å |
| 53 | F | 80.3 | Confident | 79.7 | Confident | 143 Ų | 143 | 101.4 Ų | 101.4 | 63% | 0.627 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -84.9 | -31.8 | 172.7 | -72.5 | -69.1 | 0 | 0 | 0 | 113.4 | V49 V50 G51 P56 F57 | V49-F53 HydrophobicContact CG1-CD2 4.02Å; V49-F53 HydrophobicContact CG1-CE2 3.9Å; V49-F53 VanDerWaalsContact O-CD2 3.28Å; V49-F53 WeakPolarHBondContact O-CD2 3.23Å; V49-F53 PolarHBondContact O-N 2.99Å; V50-F53 PolarHBondContact O-N 3.45Å; G51-F53 VanDerWaalsContact C-N 3.3Å; G51-F53 PolarHBondContact O-N 3.01Å; F53-P56 WeakPolarHBondContact O-CD 3.33Å; F53-P56 WeakPolarHBondContact O-CG 3.36Å; F53-F57 WeakPolarHBondContact O-CB 3.34Å; F53-F57 PolarHBondContact O-N 2.82Å |
| 54 | A | 83.4 | Confident | 79.7 | Confident | 35 Ų | 35 | 104.8 Ų | 104.8 | 29% | 0.289 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.7 | -45.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V50 G51 F57 F58 | V50-A54 VanDerWaalsContact O-CB 3.24Å; V50-A54 WeakPolarHBondContact O-CB 3.31Å; V50-A54 PolarHBondContact O-N 3.37Å; G51-A54 PolarHBondContact O-N 3.41Å; A54-F57 PolarHBondContact O-N 3.05Å; A54-F58 HydrophobicContact CB-CD2 4.41Å; A54-F58 WeakPolarHBondContact O-CD2 3.33Å; A54-F58 PolarHBondContact O-N 3.5Å |
| 55 | V | 83.5 | Confident | 79.7 | Confident | 89 Ų | 89 | 105 Ų | 105 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -54.7 | -54.8 | -178 | 170.4 | 0 | 0 | 0 | 0 | 113.3 | G51 F57 F58 L59 | G51-V55 WeakPolarHBondContact O-CG2 3.39Å; G51-V55 PolarHBondContact O-N 2.82Å; V55-F57 VanDerWaalsContact C-N 3.31Å; V55-F57 PolarHBondContact O-N 3.21Å; V55-F58 PolarHBondContact O-N 2.96Å; V55-L59 HydrophobicContact CG1-CD1 3.82Å; V55-L59 HydrophobicContact CG1-CG 4.47Å; V55-L59 WeakPolarHBondContact O-CB 3.4Å; V55-L59 VanDerWaalsContact O-CG 3.31Å; V55-L59 WeakPolarHBondContact O-CG 3.19Å; V55-L59 PolarHBondContact O-N 2.83Å |
| 56 | P | 81.1 | Confident | 79.8 | Confident | 69 Ų | 69 | 104.1 Ų | 104.1 | 45% | 0.448 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.1 | -30.9 | 177.9 | 25.7 | -33.9 | 0 | 0 | 0 | 112.7 | F52 F53 W60 | F52-P56 WeakPolarHBondContact O-CD 3.42Å; F52-P56 VanDerWaalsContact O-CG 3.28Å; F52-P56 WeakPolarHBondContact O-CG 3.5Å; F53-P56 WeakPolarHBondContact O-CD 3.33Å; F53-P56 WeakPolarHBondContact O-CG 3.36Å; P56-W60 VanDerWaalsContact O-CB 3.22Å; P56-W60 WeakPolarHBondContact O-CB 3.39Å; P56-W60 PolarHBondContact O-N 2.82Å |
| 57 | F | 81.8 | Confident | 79.7 | Confident | 123 Ų | 123 | 103.3 Ų | 103.3 | 54% | 0.539 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.2 | -42.2 | 175.6 | -173.7 | -95.9 | 0 | 0 | 0 | 112.3 | F53 A54 V55 W60 R61 | F53-F57 WeakPolarHBondContact O-CB 3.34Å; F53-F57 PolarHBondContact O-N 2.82Å; A54-F57 PolarHBondContact O-N 3.05Å; V55-F57 VanDerWaalsContact C-N 3.31Å; V55-F57 PolarHBondContact O-N 3.21Å; F57-W60 PolarHBondContact O-N 3.26Å; F57-R61 HydrophobicContact CE1-CG 4.35Å; F57-R61 WeakPolarHBondContact O-CB 3.33Å; F57-R61 PolarHBondContact O-N 3.39Å |
| 58 | F | 83.2 | Confident | 79.5 | Confident | 143 Ų | 143 | 104 Ų | 104 | 63% | 0.627 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.7 | -43.7 | 173.1 | -89.3 | -80.3 | 0 | 0 | 0 | 111.7 | A54 V55 W60 R61 S62 | A54-F58 HydrophobicContact CB-CD2 4.41Å; A54-F58 WeakPolarHBondContact O-CD2 3.33Å; A54-F58 PolarHBondContact O-N 3.5Å; V55-F58 PolarHBondContact O-N 2.96Å; F58-W60 VanDerWaalsContact C-N 3.33Å; F58-W60 PolarHBondContact O-N 3.18Å; F58-R61 PolarHBondContact O-N 3.08Å; F58-S62 WeakPolarHBondContact O-CB 3.35Å; F58-S62 PolarHBondContact O-N 2.81Å; F58-S62 PolarHBondContact O-OG 2.86Å; F58-S62 VanDerWaalsContact O-OG 3.12Å |
| 59 | L | 84.4 | Confident | 79.1 | Confident | 113 Ų | 113 | 107.7 Ų | 107.7 | 59% | 0.592 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.6 | -40.7 | 174.5 | -72.5 | 170.2 | 0 | 0 | 0 | 112 | V55 S62 F63 | V55-L59 HydrophobicContact CG1-CD1 3.82Å; V55-L59 HydrophobicContact CG1-CG 4.47Å; V55-L59 WeakPolarHBondContact O-CB 3.4Å; V55-L59 VanDerWaalsContact O-CG 3.31Å; V55-L59 WeakPolarHBondContact O-CG 3.19Å; V55-L59 PolarHBondContact O-N 2.83Å; L59-S62 PolarHBondContact O-N 2.9Å; L59-F63 VanDerWaalsContact O-CB 3.26Å; L59-F63 WeakPolarHBondContact O-CB 3.38Å; L59-F63 PolarHBondContact O-N 3.01Å |
| 60 | W | 76.8 | Confident | 78.5 | Confident | 162 Ų | 162 | 109 Ų | 109 | 61% | 0.614 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.7 | -42.2 | 174.5 | 179.7 | -100.2 | 0 | 0 | 0 | 112.4 | P56 F57 F58 R64 | P56-W60 VanDerWaalsContact O-CB 3.22Å; P56-W60 WeakPolarHBondContact O-CB 3.39Å; P56-W60 PolarHBondContact O-N 2.82Å; F57-W60 PolarHBondContact O-N 3.26Å; F58-W60 VanDerWaalsContact C-N 3.33Å; F58-W60 PolarHBondContact O-N 3.18Å; W60-R64 VanDerWaalsContact O-CB 3.29Å; W60-R64 WeakPolarHBondContact O-CB 3.44Å; W60-R64 PolarHBondContact O-N 2.89Å |
| 61 | R | 82.9 | Confident | 77.7 | Confident | 161 Ų | 161 | 110.1 Ų | 110.1 | 61% | 0.608 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.5 | -46.8 | 173.2 | -93.1 | -76.4 | 176.9 | 90.6 | -4.7 | 111.7 | F57 F58 R64 S65 | F57-R61 HydrophobicContact CE1-CG 4.35Å; F57-R61 WeakPolarHBondContact O-CB 3.33Å; F57-R61 PolarHBondContact O-N 3.39Å; F58-R61 PolarHBondContact O-N 3.08Å; R61-R64 PolarHBondContact O-N 3.29Å; R61-S65 WeakPolarHBondContact O-CB 3.25Å; R61-S65 PolarHBondContact O-N 2.88Å |
| 62 | S | 75.3 | Confident | 77.1 | Confident | 66 Ų | 66 | 110.4 Ų | 110.4 | 46% | 0.462 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 176.9 | -64.2 | 0 | 0 | 0 | 0 | 111.8 | F58 L59 R64 S65 V66 | F58-S62 WeakPolarHBondContact O-CB 3.35Å; F58-S62 PolarHBondContact O-N 2.81Å; F58-S62 PolarHBondContact O-OG 2.86Å; F58-S62 VanDerWaalsContact O-OG 3.12Å; L59-S62 PolarHBondContact O-N 2.9Å; S62-R64 PolarHBondContact O-N 3.49Å; S62-S65 PolarHBondContact O-N 3.06Å; S62-V66 WeakPolarHBondContact O-CB 3.4Å; S62-V66 WeakPolarHBondContact O-CG2 3.48Å; S62-V66 PolarHBondContact O-N 3.42Å |
| 63 | F | 76.6 | Confident | 76.6 | Confident | 123 Ų | 123 | 104.4 Ų | 104.4 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62 | -43.4 | 176.1 | -176.6 | -103.4 | 0 | 0 | 0 | 112 | L59 S65 R67 | L59-F63 VanDerWaalsContact O-CB 3.26Å; L59-F63 WeakPolarHBondContact O-CB 3.38Å; L59-F63 PolarHBondContact O-N 3.01Å; F63-S65 VanDerWaalsContact C-N 3.33Å; F63-S65 PolarHBondContact O-N 2.97Å; F63-R67 WeakPolarHBondContact O-CB 3.41Å; F63-R67 PolarHBondContact O-N 2.92Å |
| 64 | R | 72.1 | Confident | 76.2 | Confident | 174 Ų | 174 | 105.6 Ų | 105.6 | 66% | 0.657 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.8 | -35.4 | 175.9 | -165.1 | 172.2 | -176 | 173.1 | 1.9 | 112 | W60 R61 S62 S68 | W60-R64 VanDerWaalsContact O-CB 3.29Å; W60-R64 WeakPolarHBondContact O-CB 3.44Å; W60-R64 PolarHBondContact O-N 2.89Å; R61-R64 PolarHBondContact O-N 3.29Å; S62-R64 PolarHBondContact O-N 3.49Å; R64-S68 VanDerWaalsContact O-CB 3.3Å; R64-S68 WeakPolarHBondContact O-CB 3.39Å; R64-S68 PolarHBondContact O-N 2.73Å |
| 65 | S | 75 | Confident | 75.7 | Confident | 71 Ų | 71 | 110.5 Ų | 110.5 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.7 | -49.5 | 175.1 | -164.6 | 0 | 0 | 0 | 0 | 112.1 | R61 S62 F63 R67 S68 Q69 | R61-S65 WeakPolarHBondContact O-CB 3.25Å; R61-S65 PolarHBondContact O-N 2.88Å; S62-S65 PolarHBondContact O-N 3.06Å; F63-S65 VanDerWaalsContact C-N 3.33Å; F63-S65 PolarHBondContact O-N 2.97Å; S65-R67 VanDerWaalsContact C-N 3.32Å; S65-R67 PolarHBondContact O-N 3.48Å; S65-S68 WeakPolarHBondContact O-CB 3.36Å; S65-S68 PolarHBondContact O-N 3.23Å; S65-Q69 WeakPolarHBondContact O-CB 3.14Å; S65-Q69 PolarHBondContact O-N 2.97Å |
| 66 | V | 77.4 | Confident | 75.3 | Confident | 80 Ų | 80 | 113.4 Ų | 113.4 | 49% | 0.485 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 175.8 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | S62 Q69 L70 | S62-V66 WeakPolarHBondContact O-CB 3.4Å; S62-V66 WeakPolarHBondContact O-CG2 3.48Å; S62-V66 PolarHBondContact O-N 3.42Å; V66-Q69 PolarHBondContact O-N 2.9Å; V66-L70 HydrophobicContact CG1-CD1 3.92Å; V66-L70 HydrophobicContact CG1-CG 4.37Å; V66-L70 WeakPolarHBondContact O-CB 3.49Å; V66-L70 VanDerWaalsContact O-CG 3.3Å; V66-L70 WeakPolarHBondContact O-CG 3.46Å; V66-L70 PolarHBondContact O-N 2.82Å |
| 67 | R | 71.4 | Confident | 75.1 | Confident | 125 Ų | 125 | 115.4 Ų | 115.4 | 47% | 0.472 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 176.1 | -168.8 | 169.9 | -178.8 | 176 | -2.2 | 112 | F63 S65 Q69 L70 Y71 | F63-R67 WeakPolarHBondContact O-CB 3.41Å; F63-R67 PolarHBondContact O-N 2.92Å; S65-R67 VanDerWaalsContact C-N 3.32Å; S65-R67 PolarHBondContact O-N 3.48Å; R67-Q69 VanDerWaalsContact C-N 3.34Å; R67-L70 PolarHBondContact O-N 3.11Å; R67-Y71 HydrophobicContact CG-CD2 3.89Å; R67-Y71 HydrophobicContact CG-CE2 3.53Å; R67-Y71 PolarHBondContact NE-OH 2.83Å; R67-Y71 PolarHBondContact NH2-OH 2.82Å; R67-Y71 VanDerWaalsContact NH2-OH 3.13Å; R67-Y71 WeakPolarHBondContact O-CD2 3.46Å; R67-Y71 PolarHBondContact O-N 3.04Å |
| 68 | S | 71.8 | Confident | 74.8 | Confident | 78 Ų | 78 | 114.9 Ų | 114.9 | 55% | 0.545 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 172.2 | -166.4 | 0 | 0 | 0 | 0 | 112.3 | R64 S65 Y71 A72 | R64-S68 VanDerWaalsContact O-CB 3.3Å; R64-S68 WeakPolarHBondContact O-CB 3.39Å; R64-S68 PolarHBondContact O-N 2.73Å; S65-S68 WeakPolarHBondContact O-CB 3.36Å; S65-S68 PolarHBondContact O-N 3.23Å; S68-Y71 PolarHBondContact O-N 3.29Å; S68-A72 VanDerWaalsContact O-CB 3.31Å; S68-A72 WeakPolarHBondContact O-CB 3.32Å; S68-A72 PolarHBondContact O-N 3.36Å |
| 69 | Q | 71.6 | Confident | 74.6 | Confident | 142 Ų | 142 | 110.7 Ų | 110.7 | 66% | 0.664 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -74.7 | -31.8 | 179.5 | -166.2 | 170.2 | -0.3 | 0 | 0 | 112.2 | S65 V66 R67 G73 | S65-Q69 WeakPolarHBondContact O-CB 3.14Å; S65-Q69 PolarHBondContact O-N 2.97Å; V66-Q69 PolarHBondContact O-N 2.9Å; R67-Q69 VanDerWaalsContact C-N 3.34Å; Q69-G73 PolarHBondContact O-N 2.8Å |
| 70 | L | 69.2 | Low | 74.4 | Confident | 103 Ų | 103 | 111.8 Ų | 111.8 | 54% | 0.539 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -70.5 | -38.8 | 170.5 | -73.7 | 170 | 0 | 0 | 0 | 112.2 | V66 R67 R74 | V66-L70 HydrophobicContact CG1-CD1 3.92Å; V66-L70 HydrophobicContact CG1-CG 4.37Å; V66-L70 WeakPolarHBondContact O-CB 3.49Å; V66-L70 VanDerWaalsContact O-CG 3.3Å; V66-L70 WeakPolarHBondContact O-CG 3.46Å; V66-L70 PolarHBondContact O-N 2.82Å; R67-L70 PolarHBondContact O-N 3.11Å; L70-R74 WeakPolarHBondContact O-CB 3.3Å; L70-R74 WeakPolarHBondContact O-CG 3.2Å; L70-R74 PolarHBondContact O-N 3.36Å |
| 71 | Y | 68.3 | Low | 74.7 | Confident | 127 Ų | 127 | 107 Ų | 107 | 50% | 0.498 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.2 | -49.1 | 171.6 | -77 | -58.9 | 0 | 0 | 0 | 111 | R67 S68 G73 R74 E75 | R67-Y71 HydrophobicContact CG-CD2 3.89Å; R67-Y71 HydrophobicContact CG-CE2 3.53Å; R67-Y71 PolarHBondContact NE-OH 2.83Å; R67-Y71 PolarHBondContact NH2-OH 2.82Å; R67-Y71 VanDerWaalsContact NH2-OH 3.13Å; R67-Y71 WeakPolarHBondContact O-CD2 3.46Å; R67-Y71 PolarHBondContact O-N 3.04Å; S68-Y71 PolarHBondContact O-N 3.29Å; Y71-G73 VanDerWaalsContact C-N 3.27Å; Y71-G73 PolarHBondContact O-N 2.95Å; Y71-R74 PolarHBondContact O-N 3.1Å; Y71-E75 VanDerWaalsContact O-CB 3.24Å; Y71-E75 WeakPolarHBondContact O-CB 3.4Å; Y71-E75 PolarHBondContact O-N 3.2Å |
| 72 | A | 69.3 | Low | 74.6 | Confident | 37 Ų | 37 | 104.1 Ų | 104.1 | 31% | 0.306 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.6 | -31 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S68 K76 | S68-A72 VanDerWaalsContact O-CB 3.31Å; S68-A72 WeakPolarHBondContact O-CB 3.32Å; S68-A72 PolarHBondContact O-N 3.36Å; A72-K76 WeakPolarHBondContact O-CB 3.38Å; A72-K76 VanDerWaalsContact O-CG 3.23Å; A72-K76 WeakPolarHBondContact O-CG 3.44Å; A72-K76 PolarHBondContact O-N 3.06Å |
| 73 | G | 72.9 | Confident | 75 | Confident | 28 Ų | 28 | 103.9 Ų | 103.9 | 29% | 0.289 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.5 | -45.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q69 Y71 E75 K76 N77 | Q69-G73 PolarHBondContact O-N 2.8Å; Y71-G73 VanDerWaalsContact C-N 3.27Å; Y71-G73 PolarHBondContact O-N 2.95Å; G73-E75 VanDerWaalsContact C-N 3.34Å; G73-K76 PolarHBondContact O-N 3.12Å; G73-N77 VanDerWaalsContact O-CG 3.24Å; G73-N77 PolarHBondContact O-N 3.27Å; G73-N77 PolarHBondContact O-OD1 2.94Å; G73-N77 VanDerWaalsContact O-OD1 3.08Å |
| 74 | R | 72.3 | Confident | 75.5 | Confident | 169 Ų | 169 | 99.5 Ų | 99.5 | 64% | 0.638 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.7 | -38.6 | 173.7 | -72.4 | 179.5 | -169.9 | -166.2 | 2.4 | 112.3 | L70 Y71 N77 L78 | L70-R74 WeakPolarHBondContact O-CB 3.3Å; L70-R74 WeakPolarHBondContact O-CG 3.2Å; L70-R74 PolarHBondContact O-N 3.36Å; Y71-R74 PolarHBondContact O-N 3.1Å; R74-N77 PolarHBondContact O-N 3.39Å; R74-L78 VanDerWaalsContact O-CB 3.27Å; R74-L78 WeakPolarHBondContact O-CB 3.48Å; R74-L78 WeakPolarHBondContact O-CG 3.47Å; R74-L78 PolarHBondContact O-N 2.87Å |
| 75 | E | 72.9 | Confident | 75.9 | Confident | 137 Ų | 137 | 95.9 Ų | 95.9 | 64% | 0.64 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.8 | -41.8 | 177.4 | -174.7 | 176.7 | -164.8 | 0 | 0 | 111.3 | Y71 G73 L78 A79 | Y71-E75 VanDerWaalsContact O-CB 3.24Å; Y71-E75 WeakPolarHBondContact O-CB 3.4Å; Y71-E75 PolarHBondContact O-N 3.2Å; G73-E75 VanDerWaalsContact C-N 3.34Å; E75-L78 PolarHBondContact O-N 3.43Å; E75-A79 WeakPolarHBondContact O-CB 3.48Å; E75-A79 PolarHBondContact O-N 3.42Å |
| 76 | K | 74.8 | Confident | 76.4 | Confident | 150 Ų | 150 | 97.2 Ų | 97.2 | 65% | 0.652 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63 | -47.9 | 171.2 | -77 | 175.3 | -179.6 | -170.8 | 0 | 112.2 | A72 G73 L78 A79 E80 | A72-K76 WeakPolarHBondContact O-CB 3.38Å; A72-K76 VanDerWaalsContact O-CG 3.23Å; A72-K76 WeakPolarHBondContact O-CG 3.44Å; A72-K76 PolarHBondContact O-N 3.06Å; G73-K76 PolarHBondContact O-N 3.12Å; K76-L78 VanDerWaalsContact C-N 3.29Å; K76-L78 PolarHBondContact O-N 3.12Å; K76-A79 PolarHBondContact O-N 3.17Å; K76-E80 VanDerWaalsContact O-CB 3.29Å; K76-E80 WeakPolarHBondContact O-CB 3.3Å; K76-E80 PolarHBondContact O-N 2.74Å |
| 77 | N | 76.9 | Confident | 76.8 | Confident | 111 Ų | 111 | 100.1 Ų | 100.1 | 59% | 0.594 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.9 | -34.9 | 178.2 | -66.2 | 13.3 | 0 | 0 | 0 | 111.9 | G73 R74 A81 | G73-N77 VanDerWaalsContact O-CG 3.24Å; G73-N77 PolarHBondContact O-N 3.27Å; G73-N77 PolarHBondContact O-OD1 2.94Å; G73-N77 VanDerWaalsContact O-OD1 3.08Å; R74-N77 PolarHBondContact O-N 3.39Å; N77-A81 VanDerWaalsContact O-CB 3.23Å; N77-A81 WeakPolarHBondContact O-CB 3.07Å; N77-A81 PolarHBondContact O-N 2.89Å |
| 78 | L | 75.8 | Confident | 77.5 | Confident | 112 Ų | 112 | 100.3 Ų | 100.3 | 59% | 0.586 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -70.8 | -38.8 | 173.1 | -88 | 163.6 | 0 | 0 | 0 | 112.3 | R74 E75 K76 L82 | R74-L78 VanDerWaalsContact O-CB 3.27Å; R74-L78 WeakPolarHBondContact O-CB 3.48Å; R74-L78 WeakPolarHBondContact O-CG 3.47Å; R74-L78 PolarHBondContact O-N 2.87Å; E75-L78 PolarHBondContact O-N 3.43Å; K76-L78 VanDerWaalsContact C-N 3.29Å; K76-L78 PolarHBondContact O-N 3.12Å; L78-L82 VanDerWaalsContact O-CB 3.23Å; L78-L82 WeakPolarHBondContact O-CB 3.4Å; L78-L82 WeakPolarHBondContact O-CG 3.35Å; L78-L82 PolarHBondContact O-N 3.17Å |
| 79 | A | 78.8 | Confident | 78 | Confident | 55 Ų | 55 | 102.8 Ų | 102.8 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.7 | -37.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E75 K76 L82 S83 | E75-A79 WeakPolarHBondContact O-CB 3.48Å; E75-A79 PolarHBondContact O-N 3.42Å; K76-A79 PolarHBondContact O-N 3.17Å; A79-L82 PolarHBondContact O-N 3.12Å; A79-S83 WeakPolarHBondContact O-CB 3.39Å; A79-S83 PolarHBondContact O-N 3.39Å; A79-S83 PolarHBondContact O-OG 2.93Å |
| 80 | E | 81.3 | Confident | 78.4 | Confident | 137 Ų | 137 | 99.5 Ų | 99.5 | 64% | 0.64 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -72.7 | -38.8 | 176.7 | -167.4 | 165.8 | -149.6 | 0 | 0 | 111.6 | K76 S83 G84 | K76-E80 VanDerWaalsContact O-CB 3.29Å; K76-E80 WeakPolarHBondContact O-CB 3.3Å; K76-E80 PolarHBondContact O-N 2.74Å; E80-S83 WeakPolarHBondContact CA-OG 3.49Å; E80-S83 PolarHBondContact O-N 2.72Å; E80-S83 PolarHBondContact O-OG 2.82Å; E80-G84 PolarHBondContact O-N 2.79Å |
| 81 | A | 82.5 | Confident | 79 | Confident | 62 Ų | 62 | 102.2 Ų | 102.2 | 51% | 0.512 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | N77 L85 | N77-A81 VanDerWaalsContact O-CB 3.23Å; N77-A81 WeakPolarHBondContact O-CB 3.07Å; N77-A81 PolarHBondContact O-N 2.89Å; A81-L85 WeakPolarHBondContact O-CB 3.48Å; A81-L85 PolarHBondContact O-N 3.48Å |
| 82 | L | 81.4 | Confident | 79.7 | Confident | 99 Ų | 99 | 101.2 Ų | 101.2 | 52% | 0.518 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.4 | -40.5 | 174.2 | -84.2 | 167.6 | 0 | 0 | 0 | 111.8 | L78 A79 L85 I86 | L78-L82 VanDerWaalsContact O-CB 3.23Å; L78-L82 WeakPolarHBondContact O-CB 3.4Å; L78-L82 WeakPolarHBondContact O-CG 3.35Å; L78-L82 PolarHBondContact O-N 3.17Å; A79-L82 PolarHBondContact O-N 3.12Å; L82-L85 PolarHBondContact O-N 3.26Å; L82-I86 VanDerWaalsContact O-CB 3.27Å; L82-I86 WeakPolarHBondContact O-CB 3.46Å; L82-I86 WeakPolarHBondContact O-CD1 3.41Å; L82-I86 WeakPolarHBondContact O-CG1 3.32Å; L82-I86 PolarHBondContact O-N 3.28Å |
| 83 | S | 82.3 | Confident | 80.2 | Confident | 62 Ų | 62 | 105 Ų | 105 | 43% | 0.434 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 176.2 | 62.3 | 0 | 0 | 0 | 0 | 111.3 | A79 E80 I86 E87 | A79-S83 WeakPolarHBondContact O-CB 3.39Å; A79-S83 PolarHBondContact O-N 3.39Å; A79-S83 PolarHBondContact O-OG 2.93Å; E80-S83 WeakPolarHBondContact CA-OG 3.49Å; E80-S83 PolarHBondContact O-N 2.72Å; E80-S83 PolarHBondContact O-OG 2.82Å; S83-I86 PolarHBondContact O-N 2.82Å; S83-E87 VanDerWaalsContact O-CB 3.24Å; S83-E87 WeakPolarHBondContact O-CB 3.49Å; S83-E87 PolarHBondContact O-N 3.13Å |
| 84 | G | 87.4 | Confident | 80.7 | Confident | 30 Ų | 30 | 110 Ų | 110 | 31% | 0.309 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -59.6 | -47.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | E80 I86 E87 E88 | E80-G84 PolarHBondContact O-N 2.79Å; G84-I86 PolarHBondContact O-N 3.45Å; G84-E87 PolarHBondContact O-N 2.97Å; G84-E88 WeakPolarHBondContact O-CB 3.46Å; G84-E88 WeakPolarHBondContact O-CG 3.34Å; G84-E88 PolarHBondContact O-N 3.06Å |
| 85 | L | 80.3 | Confident | 81.3 | Confident | 98 Ų | 98 | 107.9 Ų | 107.9 | 51% | 0.513 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.3 | -35.7 | 178.1 | -161.1 | 116 | 0 | 0 | 0 | 112.6 | A81 L82 K89 | A81-L85 WeakPolarHBondContact O-CB 3.48Å; A81-L85 PolarHBondContact O-N 3.48Å; L82-L85 PolarHBondContact O-N 3.26Å; L85-K89 VanDerWaalsContact O-CB 3.31Å; L85-K89 WeakPolarHBondContact O-CB 3.43Å; L85-K89 WeakPolarHBondContact O-CG 3.47Å; L85-K89 PolarHBondContact O-N 3.33Å |
| 86 | I | 85.5 | Confident | 81.5 | Confident | 99 Ų | 99 | 107.6 Ų | 107.6 | 51% | 0.508 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -68.8 | -42.5 | 174.2 | -72.2 | 163.9 | 0 | 0 | 0 | 110.5 | L82 S83 G84 K89 C90 | L82-I86 VanDerWaalsContact O-CB 3.27Å; L82-I86 WeakPolarHBondContact O-CB 3.46Å; L82-I86 WeakPolarHBondContact O-CD1 3.41Å; L82-I86 WeakPolarHBondContact O-CG1 3.32Å; L82-I86 PolarHBondContact O-N 3.28Å; S83-I86 PolarHBondContact O-N 2.82Å; G84-I86 PolarHBondContact O-N 3.45Å; I86-K89 PolarHBondContact O-N 2.98Å; I86-C90 VanDerWaalsContact O-CB 3.31Å; I86-C90 WeakPolarHBondContact O-CB 3.44Å; I86-C90 PolarHBondContact O-N 3.02Å; I86-C90 PolarHBondContact O-SG 2.84Å |
| 87 | E | 86.8 | Confident | 81.6 | Confident | 142 Ų | 142 | 102.7 Ų | 102.7 | 66% | 0.664 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.7 | -38.6 | 178.1 | -171.3 | 164.4 | -163.6 | 0 | 0 | 111.4 | S83 G84 C90 R91 | S83-E87 VanDerWaalsContact O-CB 3.24Å; S83-E87 WeakPolarHBondContact O-CB 3.49Å; S83-E87 PolarHBondContact O-N 3.13Å; G84-E87 PolarHBondContact O-N 2.97Å; E87-C90 PolarHBondContact O-N 3.27Å; E87-R91 WeakPolarHBondContact O-CB 3.44Å; E87-R91 PolarHBondContact O-N 2.94Å |
| 88 | E | 86.1 | Confident | 81.6 | Confident | 129 Ų | 129 | 101.9 Ų | 101.9 | 60% | 0.603 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.9 | -42.9 | 169.8 | -75.7 | -174.1 | 168.8 | 0 | 0 | 112.4 | G84 R91 L92 | G84-E88 WeakPolarHBondContact O-CB 3.46Å; G84-E88 WeakPolarHBondContact O-CG 3.34Å; G84-E88 PolarHBondContact O-N 3.06Å; E88-R91 PolarHBondContact O-N 3.49Å; E88-L92 VanDerWaalsContact O-CB 3.28Å; E88-L92 WeakPolarHBondContact O-CB 3.23Å; E88-L92 WeakPolarHBondContact O-CG 3.4Å; E88-L92 PolarHBondContact O-N 2.94Å |
| 89 | K | 82.6 | Confident | 81.6 | Confident | 129 Ų | 129 | 100.5 Ų | 100.5 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.5 | -40.9 | 175.1 | -73.2 | -75.5 | 179.6 | -176.9 | 0 | 112 | L85 I86 L92 L93 | L85-K89 VanDerWaalsContact O-CB 3.31Å; L85-K89 WeakPolarHBondContact O-CB 3.43Å; L85-K89 WeakPolarHBondContact O-CG 3.47Å; L85-K89 PolarHBondContact O-N 3.33Å; I86-K89 PolarHBondContact O-N 2.98Å; K89-L92 PolarHBondContact O-N 3.45Å; K89-L93 WeakPolarHBondContact O-CB 3.35Å; K89-L93 PolarHBondContact O-N 3.08Å |
| 90 | C | 78.4 | Confident | 81.2 | Confident | 73 Ų | 73 | 102.3 Ų | 102.3 | 49% | 0.493 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.1 | -42.2 | 174.8 | -74.4 | 0 | 0 | 0 | 0 | 111.6 | I86 E87 L93 E94 | I86-C90 VanDerWaalsContact O-CB 3.31Å; I86-C90 WeakPolarHBondContact O-CB 3.44Å; I86-C90 PolarHBondContact O-N 3.02Å; I86-C90 PolarHBondContact O-SG 2.84Å; E87-C90 PolarHBondContact O-N 3.27Å; C90-L93 CarbonylContact O-C 3.58Å; C90-L93 WeakPolarHBondContact O-CB 3.39Å; C90-L93 PolarHBondContact O-N 2.85Å; C90-E94 WeakPolarHBondContact O-CB 3.38Å; C90-E94 PolarHBondContact O-N 2.98Å |
| 91 | R | 83.3 | Confident | 80.8 | Confident | 161 Ų | 161 | 102.5 Ų | 102.5 | 61% | 0.608 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.3 | -32.3 | 176.5 | -171 | 178.3 | -177 | -166.9 | 2.1 | 112.5 | E87 E88 K95 | E87-R91 WeakPolarHBondContact O-CB 3.44Å; E87-R91 PolarHBondContact O-N 2.94Å; E88-R91 PolarHBondContact O-N 3.49Å; R91-K95 WeakPolarHBondContact O-CB 3.4Å; R91-K95 VanDerWaalsContact O-CG 3.27Å; R91-K95 WeakPolarHBondContact O-CG 3.36Å; R91-K95 PolarHBondContact O-N 3.36Å |
| 92 | L | 82.4 | Confident | 80.3 | Confident | 106 Ų | 106 | 105 Ų | 105 | 56% | 0.555 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.9 | -41.2 | 169.3 | -82.4 | 162.8 | 0 | 0 | 0 | 111.4 | E88 K89 K95 F96 | E88-L92 VanDerWaalsContact O-CB 3.28Å; E88-L92 WeakPolarHBondContact O-CB 3.23Å; E88-L92 WeakPolarHBondContact O-CG 3.4Å; E88-L92 PolarHBondContact O-N 2.94Å; K89-L92 PolarHBondContact O-N 3.45Å; L92-K95 PolarHBondContact O-N 3.12Å; L92-F96 VanDerWaalsContact O-CB 3.25Å; L92-F96 WeakPolarHBondContact O-CB 3.33Å; L92-F96 PolarHBondContact O-N 3.33Å |
| 93 | L | 78.7 | Confident | 79.4 | Confident | 115 Ų | 115 | 107.7 Ų | 107.7 | 60% | 0.602 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.2 | -38.5 | 173.2 | -95.3 | 158.3 | 0 | 0 | 0 | 112.6 | K89 C90 F96 S97 | K89-L93 WeakPolarHBondContact O-CB 3.35Å; K89-L93 PolarHBondContact O-N 3.08Å; C90-L93 CarbonylContact O-C 3.58Å; C90-L93 WeakPolarHBondContact O-CB 3.39Å; C90-L93 PolarHBondContact O-N 2.85Å; L93-F96 PolarHBondContact O-N 2.88Å; L93-S97 WeakPolarHBondContact O-CB 3.5Å; L93-S97 PolarHBondContact O-N 3.02Å |
| 94 | E | 83.4 | Confident | 78.4 | Confident | 135 Ų | 135 | 109.4 Ų | 109.4 | 63% | 0.631 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.2 | -46.5 | 175.8 | -173.3 | 174.8 | -144.6 | 0 | 0 | 110.5 | C90 F96 S97 L98 | C90-E94 WeakPolarHBondContact O-CB 3.38Å; C90-E94 PolarHBondContact O-N 2.98Å; E94-F96 VanDerWaalsContact C-N 3.34Å; E94-F96 PolarHBondContact O-N 3.05Å; E94-S97 CarbonylContact O-C 3.54Å; E94-S97 PolarHBondContact O-N 2.96Å; E94-S97 PolarHBondContact O-OG 2.9Å; E94-L98 WeakPolarHBondContact O-CB 3.36Å; E94-L98 PolarHBondContact O-N 3.36Å |
| 95 | K | 85.4 | Confident | 76.9 | Confident | 123 Ų | 123 | 109.9 Ų | 109.9 | 54% | 0.535 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.3 | -41.6 | 170.2 | -75.8 | 176.3 | 177.1 | -172.6 | 0 | 112.6 | R91 L92 S97 L98 V99 | R91-K95 WeakPolarHBondContact O-CB 3.4Å; R91-K95 VanDerWaalsContact O-CG 3.27Å; R91-K95 WeakPolarHBondContact O-CG 3.36Å; R91-K95 PolarHBondContact O-N 3.36Å; L92-K95 PolarHBondContact O-N 3.12Å; K95-S97 VanDerWaalsContact C-N 3.32Å; K95-L98 PolarHBondContact O-N 3.36Å; K95-V99 WeakPolarHBondContact O-CB 3.33Å; K95-V99 WeakPolarHBondContact O-CG2 3.45Å; K95-V99 PolarHBondContact O-N 3.3Å |
| 96 | F | 78.2 | Confident | 75.8 | Confident | 131 Ų | 131 | 113.1 Ų | 113.1 | 58% | 0.575 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.8 | -36.5 | 176.3 | -168.2 | -91 | 0 | 0 | 0 | 111.1 | L92 L93 E94 L98 Q100 | L92-F96 VanDerWaalsContact O-CB 3.25Å; L92-F96 WeakPolarHBondContact O-CB 3.33Å; L92-F96 PolarHBondContact O-N 3.33Å; L93-F96 PolarHBondContact O-N 2.88Å; E94-F96 VanDerWaalsContact C-N 3.34Å; E94-F96 PolarHBondContact O-N 3.05Å; F96-L98 VanDerWaalsContact C-N 3.34Å; F96-Q100 WeakPolarHBondContact O-CB 3.35Å; F96-Q100 PolarHBondContact O-N 2.98Å |
| 97 | S | 75.1 | Confident | 74.5 | Confident | 48 Ų | 48 | 114.8 Ų | 114.8 | 34% | 0.336 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.6 | -29.3 | 173.7 | 83.7 | 0 | 0 | 0 | 0 | 113 | L93 E94 K95 K101 | L93-S97 WeakPolarHBondContact O-CB 3.5Å; L93-S97 PolarHBondContact O-N 3.02Å; E94-S97 CarbonylContact O-C 3.54Å; E94-S97 PolarHBondContact O-N 2.96Å; E94-S97 PolarHBondContact O-OG 2.9Å; K95-S97 VanDerWaalsContact C-N 3.32Å; S97-K101 WeakPolarHBondContact O-CB 3.46Å; S97-K101 VanDerWaalsContact O-CG 3.23Å; S97-K101 WeakPolarHBondContact O-CG 2.93Å; S97-K101 PolarHBondContact O-N 3.5Å |
| 98 | L | 77.4 | Confident | 72.9 | Confident | 94 Ų | 94 | 113.2 Ų | 113.2 | 49% | 0.492 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -75.2 | -46.4 | 175.6 | -172.6 | 142.5 | 0 | 0 | 0 | 109.9 | E94 K95 F96 Q100 K101 E102 | E94-L98 WeakPolarHBondContact O-CB 3.36Å; E94-L98 PolarHBondContact O-N 3.36Å; K95-L98 PolarHBondContact O-N 3.36Å; F96-L98 VanDerWaalsContact C-N 3.34Å; L98-Q100 VanDerWaalsContact C-N 3.32Å; L98-Q100 PolarHBondContact O-N 2.81Å; L98-K101 PolarHBondContact O-N 3.49Å; L98-E102 HydrophobicContact CD2-CG 4.38Å; L98-E102 WeakPolarHBondContact CD2-OE1 3.33Å; L98-E102 WeakPolarHBondContact O-CB 3.33Å; L98-E102 WeakPolarHBondContact O-CG 3.31Å; L98-E102 PolarHBondContact O-N 3.43Å |
| 99 | V | 75.4 | Confident | 71.1 | Confident | 83 Ų | 83 | 113.9 Ų | 113.9 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63 | -35.8 | 171.6 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | K95 E102 Y103 | K95-V99 WeakPolarHBondContact O-CB 3.33Å; K95-V99 WeakPolarHBondContact O-CG2 3.45Å; K95-V99 PolarHBondContact O-N 3.3Å; V99-E102 PolarHBondContact O-N 3.15Å; V99-Y103 VanDerWaalsContact O-CB 3.24Å; V99-Y103 WeakPolarHBondContact O-CB 3.31Å; V99-Y103 PolarHBondContact O-N 3.41Å |
| 100 | Q | 71.4 | Confident | 69.4 | Low | 93 Ų | 93 | 112.2 Ų | 112.2 | 44% | 0.435 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -70.2 | -38.8 | 174.7 | -177.5 | 174.8 | -17.8 | 0 | 0 | 111.7 | F96 L98 Y103 E104 | F96-Q100 WeakPolarHBondContact O-CB 3.35Å; F96-Q100 PolarHBondContact O-N 2.98Å; L98-Q100 VanDerWaalsContact C-N 3.32Å; L98-Q100 PolarHBondContact O-N 2.81Å; Q100-Y103 PolarHBondContact O-N 2.99Å; Q100-E104 WeakPolarHBondContact CG-OE1 3.47Å; Q100-E104 PolarHBondContact NE2-OE1 2.99Å; Q100-E104 WeakPolarHBondContact O-CB 3.46Å; Q100-E104 WeakPolarHBondContact O-CG 3.46Å; Q100-E104 PolarHBondContact O-N 3.45Å |
| 101 | K | 72.3 | Confident | 68 | Low | 141 Ų | 141 | 114 Ų | 114 | 61% | 0.613 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.6 | -35.4 | 172 | -78.1 | 170.1 | -178.2 | 170.3 | 0 | 112.7 | S97 L98 A105 | S97-K101 WeakPolarHBondContact O-CB 3.46Å; S97-K101 VanDerWaalsContact O-CG 3.23Å; S97-K101 WeakPolarHBondContact O-CG 2.93Å; S97-K101 PolarHBondContact O-N 3.5Å; L98-K101 PolarHBondContact O-N 3.49Å; K101-A105 WeakPolarHBondContact O-CB 3.48Å; K101-A105 PolarHBondContact O-N 2.98Å |
| 102 | E | 71.8 | Confident | 65.9 | Low | 115 Ų | 115 | 112.7 Ų | 112.7 | 54% | 0.537 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.2 | -38.1 | 172.2 | -76 | 173.5 | 165.8 | 0 | 0 | 110.5 | L98 V99 A105 Y106 | L98-E102 HydrophobicContact CD2-CG 4.38Å; L98-E102 WeakPolarHBondContact CD2-OE1 3.33Å; L98-E102 WeakPolarHBondContact O-CB 3.33Å; L98-E102 WeakPolarHBondContact O-CG 3.31Å; L98-E102 PolarHBondContact O-N 3.43Å; V99-E102 PolarHBondContact O-N 3.15Å; E102-A105 PolarHBondContact O-N 2.96Å; E102-Y106 VanDerWaalsContact O-CB 3.32Å; E102-Y106 WeakPolarHBondContact O-CB 3.49Å; E102-Y106 PolarHBondContact O-N 2.78Å |
| 103 | Y | 62.9 | Low | 63.7 | Low | 155 Ų | 155 | 116.1 Ų | 116.1 | 61% | 0.608 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.7 | -44.6 | 174 | -171.1 | -84.9 | 0 | 0 | 0 | 112.2 | V99 Q100 A105 Y106 E107 | V99-Y103 VanDerWaalsContact O-CB 3.24Å; V99-Y103 WeakPolarHBondContact O-CB 3.31Å; V99-Y103 PolarHBondContact O-N 3.41Å; Q100-Y103 PolarHBondContact O-N 2.99Å; Y103-A105 VanDerWaalsContact C-N 3.28Å; Y103-A105 PolarHBondContact O-N 3.13Å; Y103-Y106 PolarHBondContact O-N 2.95Å; Y103-E107 WeakPolarHBondContact O-CB 3.36Å; Y103-E107 PolarHBondContact O-N 2.85Å |
| 104 | E | 61 | Low | 61.9 | Low | 98 Ų | 98 | 118.5 Ų | 118.5 | 46% | 0.458 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65 | -30.5 | 173.1 | -73.7 | 171.2 | -162.3 | 0 | 0 | 111.8 | Q100 V108 | Q100-E104 WeakPolarHBondContact CG-OE1 3.47Å; Q100-E104 PolarHBondContact NE2-OE1 2.99Å; Q100-E104 WeakPolarHBondContact O-CB 3.46Å; Q100-E104 WeakPolarHBondContact O-CG 3.46Å; Q100-E104 PolarHBondContact O-N 3.45Å; E104-V108 VanDerWaalsContact O-CG2 3.26Å; E104-V108 WeakPolarHBondContact O-CG2 3.31Å; E104-V108 PolarHBondContact O-N 3.28Å |
| 105 | A | 56.8 | Low | 59.8 | Low | 39 Ų | 39 | 116.6 Ų | 116.6 | 32% | 0.322 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -72.2 | -42.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K101 E102 Y103 E107 V108 E109 | K101-A105 WeakPolarHBondContact O-CB 3.48Å; K101-A105 PolarHBondContact O-N 2.98Å; E102-A105 PolarHBondContact O-N 2.96Å; Y103-A105 VanDerWaalsContact C-N 3.28Å; Y103-A105 PolarHBondContact O-N 3.13Å; A105-E107 PolarHBondContact O-N 2.89Å; A105-V108 CarbonylContact O-C 3.56Å; A105-V108 PolarHBondContact O-N 3.45Å; A105-V108 VanDerWaalsContact O-N 3.09Å; A105-E109 WeakPolarHBondContact O-CB 3.44Å; A105-E109 PolarHBondContact O-N 3.11Å |
| 106 | Y | 57.3 | Low | 57.7 | Low | 167 Ų | 167 | 115.2 Ų | 115.2 | 66% | 0.655 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.9 | -37.6 | 178.2 | -139.6 | -96.3 | 0 | 0 | 0 | 112.1 | E102 Y103 V108 E109 S110 | E102-Y106 VanDerWaalsContact O-CB 3.32Å; E102-Y106 WeakPolarHBondContact O-CB 3.49Å; E102-Y106 PolarHBondContact O-N 2.78Å; Y103-Y106 PolarHBondContact O-N 2.95Å; Y106-V108 PolarHBondContact O-N 3.29Å; Y106-E109 PolarHBondContact O-N 3.38Å; Y106-S110 VanDerWaalsContact O-CB 3.28Å; Y106-S110 WeakPolarHBondContact O-CB 3.46Å; Y106-S110 PolarHBondContact O-N 3.5Å |
| 107 | E | 57.2 | Low | 56.5 | Low | 133 Ų | 133 | 114.7 Ų | 114.7 | 62% | 0.621 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.2 | -20.8 | 174.7 | -164.3 | 169.7 | -146.8 | 0 | 0 | 112.3 | Y103 A105 | Y103-E107 WeakPolarHBondContact O-CB 3.36Å; Y103-E107 PolarHBondContact O-N 2.85Å; A105-E107 PolarHBondContact O-N 2.89Å |
| 108 | V | 54.3 | Low | 55.4 | Low | 109 Ų | 109 | 120.5 Ų | 120.5 | 66% | 0.661 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -91.2 | -35.9 | 173 | 170.2 | 0 | 0 | 0 | 0 | 112.3 | E104 A105 Y106 S111 | E104-V108 VanDerWaalsContact O-CG2 3.26Å; E104-V108 WeakPolarHBondContact O-CG2 3.31Å; E104-V108 PolarHBondContact O-N 3.28Å; A105-V108 CarbonylContact O-C 3.56Å; A105-V108 PolarHBondContact O-N 3.45Å; A105-V108 VanDerWaalsContact O-N 3.09Å; Y106-V108 PolarHBondContact O-N 3.29Å; V108-S111 PolarHBondContact O-OG 3.44Å |
| 109 | E | 47.2 | Very low | 54.2 | Low | 143 Ų | 143 | 123.1 Ų | 123.1 | 67% | 0.668 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -86.6 | -9.5 | -178.2 | -71.8 | -179 | 135.7 | 0 | 0 | 113.6 | A105 Y106 S111 L112 | A105-E109 WeakPolarHBondContact O-CB 3.44Å; A105-E109 PolarHBondContact O-N 3.11Å; Y106-E109 PolarHBondContact O-N 3.38Å; E109-S111 PolarHBondContact O-N 2.68Å; E109-L112 PolarHBondContact O-N 2.93Å |
| 110 | S | 47.3 | Very low | 53.2 | Low | 95 Ų | 95 | 125 Ų | 125 | 66% | 0.664 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 23.8 | 172.9 | 73 | 0 | 0 | 0 | 0 | 115.1 | Y106 | Y106-S110 VanDerWaalsContact O-CB 3.28Å; Y106-S110 WeakPolarHBondContact O-CB 3.46Å; Y106-S110 PolarHBondContact O-N 3.5Å |
| 111 | S | 48.3 | Very low | 52.6 | Low | 109 Ų | 109 | 123.6 Ų | 123.6 | 76% | 0.762 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.3 | 2.8 | 175.5 | 61.5 | 0 | 0 | 0 | 0 | 114.1 | V108 E109 | V108-S111 PolarHBondContact O-OG 3.44Å; E109-S111 PolarHBondContact O-N 2.68Å |
| 112 | L | 40.3 | Very low | 51.9 | Low | 135 Ų | 135 | 121 Ų | 121 | 71% | 0.707 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -146.5 | 113.2 | 176.8 | -156.8 | 139.1 | 0 | 0 | 0 | 116.1 | E109 | E109-L112 PolarHBondContact O-N 2.93Š|
| 113 | E | 36.1 | Very low | 51.5 | Low | 177 Ų | 177 | 121 Ų | 121 | 83% | 0.827 | 65% | 0.654 | S | S | * | * | trans | 69.8 | 121.6 | 159.6 | -66.7 | -170.9 | 140.3 | 0 | 0 | 122.4 | ||||
| 114 | D | 40.6 | Very low | 51.7 | Low | 165 Ų | 165 | 116.1 Ų | 116.1 | 88% | 0.882 | 65% | 0.646 | S | S | * | * | trans | -59.7 | 139.8 | 157.2 | -56.8 | -77.6 | 0 | 0 | 0 | 112.5 | ||||
| 115 | A | 39.4 | Very low | 52.2 | Low | 95 Ų | 95 | 117.9 Ų | 117.9 | 79% | 0.785 | 65% | 0.654 | S | S | * | * | 165.8 | 106.6 | 123.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 116 | S | 41.7 | Very low | 53.1 | Low | 95 Ų | 95 | 119.1 Ų | 119.1 | 66% | 0.664 | 66% | 0.66 | S | S | * | * | 177.6 | 79.2 | 127.1 | 46.1 | 0 | 0 | 0 | 0 | 112.5 | E118 | S116-E118 VanDerWaalsContact C-N 3.33Å; S116-E118 PolarHBondContact O-N 3.37Å | |||
| 117 | S | 53.8 | Low | 54.1 | Low | 119 Ų | 119 | 116.3 Ų | 116.3 | 83% | 0.832 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 77.3 | -179.7 | 59.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 118 | E | 50.2 | Low | 55.2 | Low | 170 Ų | 170 | 116 Ų | 116 | 79% | 0.794 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.3 | -28.3 | 154.4 | -132 | 176.5 | -177.6 | 0 | 0 | 113.6 | S116 | S116-E118 VanDerWaalsContact C-N 3.33Å; S116-E118 PolarHBondContact O-N 3.37Å |
| 119 | K | 53.4 | Low | 56.6 | Low | 149 Ų | 149 | 113.4 Ų | 113.4 | 65% | 0.648 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -41.5 | 174.7 | -81.8 | -174 | 172.7 | -175.6 | 0 | 113.5 | A121 T122 E123 | K119-A121 VanDerWaalsContact C-N 3.29Å; K119-A121 PolarHBondContact O-N 3.38Å; K119-T122 WeakPolarHBondContact O-CA 3.39Å; K119-T122 PolarHBondContact O-N 3.17Å; K119-T122 PolarHBondContact O-OG1 3.3Å; K119-E123 PolarHBondContact O-N 3.03Å |
| 120 | E | 53.7 | Low | 58.4 | Low | 122 Ų | 122 | 110.3 Ų | 110.3 | 57% | 0.57 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -57.8 | -37.8 | -173.1 | -167.4 | 173.5 | -157.8 | 0 | 0 | 112.8 | T122 E123 A124 | E120-T122 VanDerWaalsContact C-N 3.34Å; E120-T122 PolarHBondContact O-N 2.86Å; E120-E123 PolarHBondContact O-N 2.87Å; E120-A124 WeakPolarHBondContact O-CB 3.45Å; E120-A124 PolarHBondContact O-N 2.89Å |
| 121 | A | 58.5 | Low | 59.9 | Low | 65 Ų | 65 | 109.1 Ų | 109.1 | 54% | 0.537 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -65.8 | -33.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K119 Q125 | K119-A121 VanDerWaalsContact C-N 3.29Å; K119-A121 PolarHBondContact O-N 3.38Å; A121-Q125 WeakPolarHBondContact O-CB 3.33Å; A121-Q125 WeakPolarHBondContact O-CG 3.41Å; A121-Q125 PolarHBondContact O-N 2.98Å; A121-Q125 VanDerWaalsContact O-N 3.1Å |
| 122 | T | 58.5 | Low | 61.8 | Low | 85 Ų | 85 | 108.2 Ų | 108.2 | 52% | 0.521 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -78 | -34.2 | 177 | 64.8 | 0 | 0 | 0 | 0 | 112.3 | K119 E120 S126 | K119-T122 WeakPolarHBondContact O-CA 3.39Å; K119-T122 PolarHBondContact O-N 3.17Å; K119-T122 PolarHBondContact O-OG1 3.3Å; E120-T122 VanDerWaalsContact C-N 3.34Å; E120-T122 PolarHBondContact O-N 2.86Å; T122-S126 WeakPolarHBondContact O-CB 3.49Å; T122-S126 PolarHBondContact O-N 2.88Å |
| 123 | E | 62.2 | Low | 64.2 | Low | 115 Ų | 115 | 109.1 Ų | 109.1 | 54% | 0.537 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -71.8 | -43 | 174.6 | -72 | 176 | -175 | 0 | 0 | 110.8 | K119 E120 S126 L127 | K119-E123 PolarHBondContact O-N 3.03Å; E120-E123 PolarHBondContact O-N 2.87Å; E123-S126 PolarHBondContact O-N 3.29Å; E123-S126 VanDerWaalsContact O-N 3.13Å; E123-S126 PolarHBondContact O-OG 3.16Å; E123-L127 PolarHBondContact O-N 3.13Å |
| 124 | A | 67.7 | Low | 66.8 | Low | 54 Ų | 54 | 106 Ų | 106 | 45% | 0.446 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -59.4 | -46.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E120 S126 L127 E128 | E120-A124 WeakPolarHBondContact O-CB 3.45Å; E120-A124 PolarHBondContact O-N 2.89Å; A124-S126 VanDerWaalsContact C-N 3.3Å; A124-S126 PolarHBondContact O-N 2.94Å; A124-L127 PolarHBondContact O-N 3.05Å; A124-E128 WeakPolarHBondContact O-CB 3.4Å; A124-E128 PolarHBondContact O-N 3.16Å |
| 125 | Q | 71.9 | Confident | 69 | Low | 134 Ų | 134 | 103.1 Ų | 103.1 | 63% | 0.626 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.4 | -35.7 | 173.6 | -80.3 | -174.5 | -11.6 | 0 | 0 | 112.7 | A121 A129 | A121-Q125 WeakPolarHBondContact O-CB 3.33Å; A121-Q125 WeakPolarHBondContact O-CG 3.41Å; A121-Q125 PolarHBondContact O-N 2.98Å; A121-Q125 VanDerWaalsContact O-N 3.1Å; Q125-A129 WeakPolarHBondContact O-CB 3.45Å; Q125-A129 PolarHBondContact O-N 3.43Å |
| 126 | S | 75.5 | Confident | 71.5 | Confident | 65 Ų | 65 | 105.2 Ų | 105.2 | 46% | 0.455 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.5 | -40.1 | 176.2 | 81.4 | 0 | 0 | 0 | 0 | 112.1 | T122 E123 A124 A129 T130 | T122-S126 WeakPolarHBondContact O-CB 3.49Å; T122-S126 PolarHBondContact O-N 2.88Å; E123-S126 PolarHBondContact O-N 3.29Å; E123-S126 VanDerWaalsContact O-N 3.13Å; E123-S126 PolarHBondContact O-OG 3.16Å; A124-S126 VanDerWaalsContact C-N 3.3Å; A124-S126 PolarHBondContact O-N 2.94Å; S126-A129 PolarHBondContact O-N 2.59Å; S126-T130 WeakPolarHBondContact O-CG2 3.49Å; S126-T130 PolarHBondContact O-N 3.43Å |
| 127 | L | 78.1 | Confident | 73.8 | Confident | 108 Ų | 108 | 103.1 Ų | 103.1 | 57% | 0.565 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67 | -46.8 | 175.6 | -85 | 167.7 | 0 | 0 | 0 | 111.2 | E123 A124 A129 T130 C131 | E123-L127 PolarHBondContact O-N 3.13Å; A124-L127 PolarHBondContact O-N 3.05Å; L127-A129 VanDerWaalsContact C-N 3.32Å; L127-A129 PolarHBondContact O-N 2.95Å; L127-T130 WeakPolarHBondContact CA-OG1 3.42Å; L127-T130 CarbonylContact O-C 3.58Å; L127-T130 WeakPolarHBondContact O-CA 3.33Å; L127-T130 PolarHBondContact O-N 2.86Å; L127-T130 PolarHBondContact O-OG1 3.38Å; L127-C131 PolarHBondContact O-N 3.13Å; L127-C131 PolarHBondContact O-SG 3.3Å |
| 128 | E | 81.4 | Confident | 75.5 | Confident | 126 Ų | 126 | 101.3 Ų | 101.3 | 59% | 0.589 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -55.3 | -47.3 | 174.8 | -174.6 | 173.1 | -151.8 | 0 | 0 | 111 | A124 T130 C131 E132 | A124-E128 WeakPolarHBondContact O-CB 3.4Å; A124-E128 PolarHBondContact O-N 3.16Å; E128-T130 VanDerWaalsContact C-N 3.32Å; E128-T130 PolarHBondContact O-N 3.44Å; E128-C131 PolarHBondContact O-N 2.95Å; E128-E132 PolarHBondContact O-N 2.92Å |
| 129 | A | 83 | Confident | 77.5 | Confident | 55 Ų | 55 | 96.6 Ų | 96.6 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.3 | -35.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q125 S126 L127 K133 | Q125-A129 WeakPolarHBondContact O-CB 3.45Å; Q125-A129 PolarHBondContact O-N 3.43Å; S126-A129 PolarHBondContact O-N 2.59Å; L127-A129 VanDerWaalsContact C-N 3.32Å; L127-A129 PolarHBondContact O-N 2.95Å; A129-K133 VanDerWaalsContact O-CB 3.27Å; A129-K133 WeakPolarHBondContact O-CB 3.39Å; A129-K133 PolarHBondContact O-N 3.39Å |
| 130 | T | 84.1 | Confident | 79.5 | Confident | 78 Ų | 78 | 95.5 Ų | 95.5 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.6 | -37.6 | 173.1 | 61.5 | 0 | 0 | 0 | 0 | 113 | S126 L127 E128 K133 L134 | S126-T130 WeakPolarHBondContact O-CG2 3.49Å; S126-T130 PolarHBondContact O-N 3.43Å; L127-T130 WeakPolarHBondContact CA-OG1 3.42Å; L127-T130 CarbonylContact O-C 3.58Å; L127-T130 WeakPolarHBondContact O-CA 3.33Å; L127-T130 PolarHBondContact O-N 2.86Å; L127-T130 PolarHBondContact O-OG1 3.38Å; E128-T130 VanDerWaalsContact C-N 3.32Å; E128-T130 PolarHBondContact O-N 3.44Å; T130-K133 PolarHBondContact O-N 2.93Å; T130-L134 VanDerWaalsContact O-CB 3.3Å; T130-L134 WeakPolarHBondContact O-CB 3.38Å; T130-L134 PolarHBondContact O-N 2.89Å |
| 131 | C | 79.8 | Confident | 81.3 | Confident | 71 Ų | 71 | 93.9 Ų | 93.9 | 48% | 0.48 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.3 | -44.7 | 174.9 | -73.6 | 0 | 0 | 0 | 0 | 111.4 | L127 E128 K133 L134 N135 | L127-C131 PolarHBondContact O-N 3.13Å; L127-C131 PolarHBondContact O-SG 3.3Å; E128-C131 PolarHBondContact O-N 2.95Å; C131-K133 VanDerWaalsContact C-N 3.34Å; C131-K133 PolarHBondContact O-N 2.89Å; C131-L134 PolarHBondContact O-N 3.24Å; C131-N135 WeakPolarHBondContact O-CB 3.47Å; C131-N135 VanDerWaalsContact O-CG 3.25Å; C131-N135 PolarHBondContact O-N 3.03Å; C131-N135 PolarHBondContact O-ND2 3.43Å |
| 132 | E | 88.1 | Confident | 83 | Confident | 90 Ų | 90 | 96.2 Ų | 96.2 | 42% | 0.421 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 173.1 | -67.2 | -161.6 | 146 | 0 | 0 | 112 | E128 L134 N135 R136 | E128-E132 PolarHBondContact O-N 2.92Å; E132-L134 VanDerWaalsContact C-N 3.34Å; E132-N135 PolarHBondContact O-N 3.24Å; E132-R136 VanDerWaalsContact CB-NH1 3.25Å; E132-R136 VanDerWaalsContact O-CG 3.3Å; E132-R136 WeakPolarHBondContact O-CG 3.39Å; E132-R136 PolarHBondContact O-N 2.89Å; E132-R136 IonicContact OE1-NH2 2.78Å; E132-R136 IonicContact OE2-CZ 3.76Å; E132-R136 IonicContact OE2-NH1 2.62Å; E132-R136 PolarHBondContact OE2-NH1 3.03Å; E132-R136 IonicContact OE2-NH2 3.69Å; E132-R136 PolarHBondContact OE2-NH2 3.32Å |
| 133 | K | 91.1 | Very high | 84.6 | Confident | 153 Ų | 153 | 97.9 Ų | 97.9 | 67% | 0.665 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.9 | -41.3 | 177.9 | -175 | 178.1 | 179.5 | -178 | 0 | 111.4 | A129 T130 C131 R136 S137 | A129-K133 VanDerWaalsContact O-CB 3.27Å; A129-K133 WeakPolarHBondContact O-CB 3.39Å; A129-K133 PolarHBondContact O-N 3.39Å; T130-K133 PolarHBondContact O-N 2.93Å; C131-K133 VanDerWaalsContact C-N 3.34Å; C131-K133 PolarHBondContact O-N 2.89Å; K133-R136 PolarHBondContact O-N 3.48Å; K133-S137 PolarHBondContact O-N 3.47Å; K133-S137 PolarHBondContact O-OG 2.84Å |
| 134 | L | 89.8 | Confident | 86.2 | Confident | 112 Ų | 112 | 97.2 Ų | 97.2 | 59% | 0.586 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.3 | -45.5 | 175.6 | -172.2 | 132 | 0 | 0 | 0 | 110.8 | T130 C131 E132 R136 S137 N138 | T130-L134 VanDerWaalsContact O-CB 3.3Å; T130-L134 WeakPolarHBondContact O-CB 3.38Å; T130-L134 PolarHBondContact O-N 2.89Å; C131-L134 PolarHBondContact O-N 3.24Å; E132-L134 VanDerWaalsContact C-N 3.34Å; L134-R136 PolarHBondContact O-N 3.03Å; L134-S137 WeakPolarHBondContact CA-OG 3.46Å; L134-S137 CarbonylContact O-C 3.56Å; L134-S137 PolarHBondContact O-N 2.99Å; L134-S137 PolarHBondContact O-OG 3.32Å; L134-N138 WeakPolarHBondContact O-CB 3.42Å; L134-N138 PolarHBondContact O-N 2.88Å |
| 135 | N | 88 | Confident | 87.6 | Confident | 104 Ų | 104 | 99.2 Ų | 99.2 | 56% | 0.556 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.2 | -41.9 | 175 | -73.8 | -20.8 | 0 | 0 | 0 | 112.4 | C131 E132 N138 S139 | C131-N135 WeakPolarHBondContact O-CB 3.47Å; C131-N135 VanDerWaalsContact O-CG 3.25Å; C131-N135 PolarHBondContact O-N 3.03Å; C131-N135 PolarHBondContact O-ND2 3.43Å; E132-N135 PolarHBondContact O-N 3.24Å; N135-N138 PolarHBondContact O-N 3.49Å; N135-S139 PolarHBondContact O-N 3.29Å; N135-S139 PolarHBondContact O-OG 2.89Å |
| 136 | R | 90.9 | Very high | 88.7 | Confident | 140 Ų | 140 | 97.3 Ų | 97.3 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.5 | -51.4 | 172.5 | -72.6 | 172.7 | -172.4 | 112.9 | 6.5 | 110.8 | E132 K133 L134 N138 S139 E140 | E132-R136 VanDerWaalsContact CB-NH1 3.25Å; E132-R136 VanDerWaalsContact O-CG 3.3Å; E132-R136 WeakPolarHBondContact O-CG 3.39Å; E132-R136 PolarHBondContact O-N 2.89Å; E132-R136 IonicContact OE1-NH2 2.78Å; E132-R136 IonicContact OE2-CZ 3.76Å; E132-R136 IonicContact OE2-NH1 2.62Å; E132-R136 PolarHBondContact OE2-NH1 3.03Å; E132-R136 IonicContact OE2-NH2 3.69Å; E132-R136 PolarHBondContact OE2-NH2 3.32Å; K133-R136 PolarHBondContact O-N 3.48Å; L134-R136 PolarHBondContact O-N 3.03Å; R136-N138 VanDerWaalsContact C-N 3.29Å; R136-N138 PolarHBondContact O-N 2.7Å; R136-S139 PolarHBondContact O-N 2.92Å; R136-S139 PolarHBondContact O-OG 3.41Å; R136-E140 PolarHBondContact O-N 3.33Å |
| 137 | S | 90.1 | Very high | 89.6 | Confident | 51 Ų | 51 | 96.1 Ų | 96.1 | 36% | 0.357 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.7 | -31.4 | 177.6 | 61 | 0 | 0 | 0 | 0 | 113.8 | K133 L134 E140 L141 | K133-S137 PolarHBondContact O-N 3.47Å; K133-S137 PolarHBondContact O-OG 2.84Å; L134-S137 WeakPolarHBondContact CA-OG 3.46Å; L134-S137 CarbonylContact O-C 3.56Å; L134-S137 PolarHBondContact O-N 2.99Å; L134-S137 PolarHBondContact O-OG 3.32Å; S137-E140 PolarHBondContact O-N 2.92Å; S137-L141 WeakPolarHBondContact O-CB 3.34Å; S137-L141 VanDerWaalsContact O-CG 3.31Å; S137-L141 WeakPolarHBondContact O-CG 3.47Å; S137-L141 PolarHBondContact O-N 3.24Å |
| 138 | N | 89.6 | Confident | 90.4 | Very high | 81 Ų | 81 | 96.1 Ų | 96.1 | 43% | 0.433 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.2 | -40.4 | 177.3 | -155.7 | 49.2 | 0 | 0 | 0 | 110.8 | L134 N135 R136 E140 L141 E142 | L134-N138 WeakPolarHBondContact O-CB 3.42Å; L134-N138 PolarHBondContact O-N 2.88Å; N135-N138 PolarHBondContact O-N 3.49Å; R136-N138 VanDerWaalsContact C-N 3.29Å; R136-N138 PolarHBondContact O-N 2.7Å; N138-E140 VanDerWaalsContact C-N 3.32Å; N138-E140 PolarHBondContact O-N 2.8Å; N138-L141 PolarHBondContact O-N 3.01Å; N138-E142 WeakPolarHBondContact O-CG 3.35Å; N138-E142 PolarHBondContact O-N 3.26Å |
| 139 | S | 92.3 | Very high | 91.1 | Very high | 70 Ų | 70 | 94.1 Ų | 94.1 | 49% | 0.49 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.7 | -31.2 | 173 | 69.9 | 0 | 0 | 0 | 0 | 113.4 | N135 R136 H143 | N135-S139 PolarHBondContact O-N 3.29Å; N135-S139 PolarHBondContact O-OG 2.89Å; R136-S139 PolarHBondContact O-N 2.92Å; R136-S139 PolarHBondContact O-OG 3.41Å; S139-H143 PolarHBondContact O-N 3.23Å; S139-H143 VanDerWaalsContact O-N 3.11Å |
| 140 | E | 94.8 | Very high | 91.7 | Very high | 126 Ų | 126 | 97.8 Ų | 97.8 | 59% | 0.589 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -69.2 | -47.1 | 174 | -169.4 | 165.8 | -151.8 | 0 | 0 | 110.6 | R136 S137 N138 E142 H143 E144 | R136-E140 PolarHBondContact O-N 3.33Å; S137-E140 PolarHBondContact O-N 2.92Å; N138-E140 VanDerWaalsContact C-N 3.32Å; N138-E140 PolarHBondContact O-N 2.8Å; E140-E142 PolarHBondContact O-N 3.1Å; E140-H143 WeakPolarHBondContact O-CB 3.44Å; E140-H143 PolarHBondContact O-N 3.08Å; E140-H143 VanDerWaalsContact O-N 3.15Å; E140-E144 WeakPolarHBondContact O-CG 3.36Å; E140-E144 PolarHBondContact O-N 3.32Å |
| 141 | L | 92.6 | Very high | 92.2 | Very high | 89 Ų | 89 | 99.6 Ų | 99.6 | 47% | 0.466 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 173.3 | -73.8 | 169.3 | 0 | 0 | 0 | 112.9 | S137 N138 H143 E144 I145 | S137-L141 WeakPolarHBondContact O-CB 3.34Å; S137-L141 VanDerWaalsContact O-CG 3.31Å; S137-L141 WeakPolarHBondContact O-CG 3.47Å; S137-L141 PolarHBondContact O-N 3.24Å; N138-L141 PolarHBondContact O-N 3.01Å; L141-H143 VanDerWaalsContact C-N 3.31Å; L141-H143 PolarHBondContact O-N 3.42Å; L141-E144 PolarHBondContact O-N 2.92Å; L141-I145 WeakPolarHBondContact O-CB 3.37Å; L141-I145 WeakPolarHBondContact O-CD1 3.38Å; L141-I145 VanDerWaalsContact O-CG1 3.23Å; L141-I145 WeakPolarHBondContact O-CG1 3.37Å; L141-I145 PolarHBondContact O-N 3.06Å |
| 142 | E | 93.1 | Very high | 93 | Very high | 114 Ų | 114 | 100.7 Ų | 100.7 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.5 | -40.9 | 173.4 | -78.5 | 177.8 | -176.2 | 0 | 0 | 111.6 | N138 E140 I145 L146 | N138-E142 WeakPolarHBondContact O-CG 3.35Å; N138-E142 PolarHBondContact O-N 3.26Å; E140-E142 PolarHBondContact O-N 3.1Å; E142-I145 PolarHBondContact O-N 3.24Å; E142-L146 VanDerWaalsContact O-CG 3.32Å; E142-L146 WeakPolarHBondContact O-CG 3.35Å; E142-L146 PolarHBondContact O-N 3.35Å |
| 143 | H | 93.2 | Very high | 93.3 | Very high | 119 Ų | 119 | 102.3 Ų | 102.3 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.7 | -40.1 | 175.7 | -174.5 | -87.7 | 0 | 0 | 0 | 112.3 | S139 E140 L141 L146 C147 | S139-H143 PolarHBondContact O-N 3.23Å; S139-H143 VanDerWaalsContact O-N 3.11Å; E140-H143 WeakPolarHBondContact O-CB 3.44Å; E140-H143 PolarHBondContact O-N 3.08Å; E140-H143 VanDerWaalsContact O-N 3.15Å; L141-H143 VanDerWaalsContact C-N 3.31Å; L141-H143 PolarHBondContact O-N 3.42Å; H143-L146 PolarHBondContact O-N 2.88Å; H143-C147 PolarHBondContact CE1-SG 2.99Å; H143-C147 PolarHBondContact O-N 2.97Å; H143-C147 PolarHBondContact O-SG 3.44Å |
| 144 | E | 96.1 | Very high | 93.5 | Very high | 102 Ų | 102 | 100.1 Ų | 100.1 | 48% | 0.477 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 173.4 | -72.8 | -175.9 | 169.9 | 0 | 0 | 112 | E140 L141 L146 C147 L148 | E140-E144 WeakPolarHBondContact O-CG 3.36Å; E140-E144 PolarHBondContact O-N 3.32Å; L141-E144 PolarHBondContact O-N 2.92Å; E144-L146 VanDerWaalsContact C-N 3.31Å; E144-L146 PolarHBondContact O-N 2.94Å; E144-C147 WeakPolarHBondContact O-CB 3.44Å; E144-C147 PolarHBondContact O-N 3.5Å; E144-L148 WeakPolarHBondContact O-CG 3.48Å; E144-L148 PolarHBondContact O-N 3.38Å |
| 145 | I | 95.6 | Very high | 93.7 | Very high | 95 Ų | 95 | 100 Ų | 100 | 49% | 0.487 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.2 | -45.1 | 174.3 | -70.8 | 163.6 | 0 | 0 | 0 | 110.4 | L141 E142 C147 L148 E149 | L141-I145 WeakPolarHBondContact O-CB 3.37Å; L141-I145 WeakPolarHBondContact O-CD1 3.38Å; L141-I145 VanDerWaalsContact O-CG1 3.23Å; L141-I145 WeakPolarHBondContact O-CG1 3.37Å; L141-I145 PolarHBondContact O-N 3.06Å; E142-I145 PolarHBondContact O-N 3.24Å; I145-C147 VanDerWaalsContact C-N 3.27Å; I145-C147 PolarHBondContact O-N 3.25Å; I145-L148 PolarHBondContact O-N 2.89Å; I145-E149 WeakPolarHBondContact O-CB 2.87Å; I145-E149 WeakPolarHBondContact O-CG 3.47Å; I145-E149 PolarHBondContact O-N 3.5Å |
| 146 | L | 95.3 | Very high | 94.1 | Very high | 94 Ų | 94 | 101.4 Ų | 101.4 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.3 | -24.6 | 176.6 | -73.3 | 172.1 | 0 | 0 | 0 | 113.8 | E142 H143 E144 K150 | E142-L146 VanDerWaalsContact O-CG 3.32Å; E142-L146 WeakPolarHBondContact O-CG 3.35Å; E142-L146 PolarHBondContact O-N 3.35Å; H143-L146 PolarHBondContact O-N 2.88Å; E144-L146 VanDerWaalsContact C-N 3.31Å; E144-L146 PolarHBondContact O-N 2.94Å; L146-K150 WeakPolarHBondContact O-CD 3.46Å; L146-K150 WeakPolarHBondContact O-CE 3.39Å; L146-K150 VanDerWaalsContact O-CG 3.31Å; L146-K150 WeakPolarHBondContact O-CG 3.32Å |
| 147 | C | 93.9 | Very high | 94.2 | Very high | 41 Ų | 41 | 97.5 Ų | 97.5 | 28% | 0.277 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -77.6 | -50.2 | 172.4 | -66.1 | 0 | 0 | 0 | 0 | 110.9 | H143 E144 I145 E149 K150 E151 | H143-C147 PolarHBondContact CE1-SG 2.99Å; H143-C147 PolarHBondContact O-N 2.97Å; H143-C147 PolarHBondContact O-SG 3.44Å; E144-C147 WeakPolarHBondContact O-CB 3.44Å; E144-C147 PolarHBondContact O-N 3.5Å; I145-C147 VanDerWaalsContact C-N 3.27Å; I145-C147 PolarHBondContact O-N 3.25Å; C147-E149 VanDerWaalsContact C-N 3.26Å; C147-E149 PolarHBondContact O-N 3.36Å; C147-K150 WeakPolarHBondContact O-CB 3.48Å; C147-K150 PolarHBondContact O-N 3Å; C147-E151 PolarHBondContact O-N 3.1Å |
| 148 | L | 95 | Very high | 94.5 | Very high | 107 Ų | 107 | 99.2 Ų | 99.2 | 56% | 0.56 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.8 | -34.9 | 176.5 | -67.8 | 171.9 | 0 | 0 | 0 | 112.3 | E144 I145 K150 E151 L152 | E144-L148 WeakPolarHBondContact O-CG 3.48Å; E144-L148 PolarHBondContact O-N 3.38Å; I145-L148 PolarHBondContact O-N 2.89Å; L148-K150 VanDerWaalsContact C-N 3.33Å; L148-K150 PolarHBondContact O-N 3.05Å; L148-E151 PolarHBondContact O-N 3.16Å; L148-L152 VanDerWaalsContact O-CB 3.24Å; L148-L152 WeakPolarHBondContact O-CB 3.47Å; L148-L152 PolarHBondContact O-N 2.93Å |
| 149 | E | 96.1 | Very high | 94.6 | Very high | 84 Ų | 84 | 100.4 Ų | 100.4 | 39% | 0.393 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.5 | -35.4 | 172.5 | -90.1 | -157.4 | -162.8 | 0 | 0 | 113.6 | I145 C147 K153 | I145-E149 WeakPolarHBondContact O-CB 2.87Å; I145-E149 WeakPolarHBondContact O-CG 3.47Å; I145-E149 PolarHBondContact O-N 3.5Å; C147-E149 VanDerWaalsContact C-N 3.26Å; C147-E149 PolarHBondContact O-N 3.36Å; E149-K153 VanDerWaalsContact O-CD 3.3Å; E149-K153 WeakPolarHBondContact O-CD 3.35Å; E149-K153 WeakPolarHBondContact O-CG 3.5Å; E149-K153 PolarHBondContact O-N 3.14Å; E149-K153 VanDerWaalsContact O-N 3.13Å; E149-K153 IonicContact OE2-NZ 3.97Å; E149-K153 PolarHBondContact OE2-NZ 3.14Å |
| 150 | K | 95.6 | Very high | 94.7 | Very high | 132 Ų | 132 | 100.7 Ų | 100.7 | 57% | 0.574 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -71.9 | -46.8 | 177.2 | -70.4 | 164.5 | -171.8 | 165.7 | 0 | 110 | L146 C147 L148 L152 K153 E154 | L146-K150 WeakPolarHBondContact O-CD 3.46Å; L146-K150 WeakPolarHBondContact O-CE 3.39Å; L146-K150 VanDerWaalsContact O-CG 3.31Å; L146-K150 WeakPolarHBondContact O-CG 3.32Å; C147-K150 WeakPolarHBondContact O-CB 3.48Å; C147-K150 PolarHBondContact O-N 3Å; L148-K150 VanDerWaalsContact C-N 3.33Å; L148-K150 PolarHBondContact O-N 3.05Å; K150-L152 VanDerWaalsContact C-N 3.33Å; K150-L152 PolarHBondContact O-N 2.67Å; K150-K153 PolarHBondContact O-N 3Å; K150-K153 VanDerWaalsContact O-N 3.12Å; K150-E154 PolarHBondContact O-N 3.47Å |
| 151 | E | 96.1 | Very high | 94.7 | Very high | 116 Ų | 116 | 100.6 Ų | 100.6 | 54% | 0.542 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 174.8 | -67.7 | 179.7 | 179.9 | 0 | 0 | 111.4 | C147 L148 K153 E154 E155 | C147-E151 PolarHBondContact O-N 3.1Å; L148-E151 PolarHBondContact O-N 3.16Å; E151-K153 VanDerWaalsContact C-N 3.31Å; E151-K153 PolarHBondContact O-N 2.77Å; E151-E154 PolarHBondContact O-N 2.79Å; E151-E155 WeakPolarHBondContact O-CG 3.47Å; E151-E155 PolarHBondContact O-N 3.39Å |
| 152 | L | 95.3 | Very high | 94.8 | Very high | 95 Ų | 95 | 102.3 Ų | 102.3 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.6 | -36.5 | 175.9 | -176.2 | 69.8 | 0 | 0 | 0 | 112.9 | L148 K150 K156 | L148-L152 VanDerWaalsContact O-CB 3.24Å; L148-L152 WeakPolarHBondContact O-CB 3.47Å; L148-L152 PolarHBondContact O-N 2.93Å; K150-L152 VanDerWaalsContact C-N 3.33Å; K150-L152 PolarHBondContact O-N 2.67Å; L152-K156 HydrophobicContact CG-CD 4.41Å; L152-K156 WeakPolarHBondContact O-CB 3.37Å; L152-K156 WeakPolarHBondContact O-CD 3.44Å; L152-K156 WeakPolarHBondContact O-CG 3.45Å; L152-K156 PolarHBondContact O-N 3.38Å; L152-K156 VanDerWaalsContact O-N 3.12Å |
| 153 | K | 95.6 | Very high | 94.9 | Very high | 124 Ų | 124 | 101.1 Ų | 101.1 | 54% | 0.539 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.3 | -40.3 | 175.7 | -74 | 161.9 | -167.7 | 156.3 | 0 | 110.8 | E149 K150 E151 K156 S157 | E149-K153 VanDerWaalsContact O-CD 3.3Å; E149-K153 WeakPolarHBondContact O-CD 3.35Å; E149-K153 WeakPolarHBondContact O-CG 3.5Å; E149-K153 PolarHBondContact O-N 3.14Å; E149-K153 VanDerWaalsContact O-N 3.13Å; E149-K153 IonicContact OE2-NZ 3.97Å; E149-K153 PolarHBondContact OE2-NZ 3.14Å; K150-K153 PolarHBondContact O-N 3Å; K150-K153 VanDerWaalsContact O-N 3.12Å; E151-K153 VanDerWaalsContact C-N 3.31Å; E151-K153 PolarHBondContact O-N 2.77Å; K153-K156 PolarHBondContact O-N 3.39Å; K153-S157 PolarHBondContact O-N 2.97Å; K153-S157 VanDerWaalsContact O-N 3.09Å; K153-S157 PolarHBondContact O-OG 3.47Å |
| 154 | E | 95.5 | Very high | 95.1 | Very high | 106 Ų | 106 | 101.9 Ų | 101.9 | 50% | 0.495 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.2 | -47.8 | 176.6 | -164.2 | -172 | 130.4 | 0 | 0 | 112 | K150 E151 K156 S157 K158 | K150-E154 PolarHBondContact O-N 3.47Å; E151-E154 PolarHBondContact O-N 2.79Å; E154-K156 VanDerWaalsContact C-N 3.3Å; E154-K156 PolarHBondContact O-N 3.1Å; E154-S157 WeakPolarHBondContact CA-OG 3.38Å; E154-S157 PolarHBondContact O-N 3.29Å; E154-S157 VanDerWaalsContact O-N 3.09Å; E154-S157 PolarHBondContact O-OG 2.89Å; E154-K158 PolarHBondContact O-N 3.39Å; E154-K158 WeakPolarHBondContact OE1-CE 3.43Å; E154-K158 IonicContact OE1-NZ 2.74Å; E154-K158 PolarHBondContact OE1-NZ 3.11Å |
| 155 | E | 93.8 | Very high | 95.1 | Very high | 109 Ų | 109 | 102.4 Ų | 102.4 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -35.6 | 176.2 | -71.7 | -58.1 | 119.7 | 0 | 0 | 112.3 | E151 K158 H159 | E151-E155 WeakPolarHBondContact O-CG 3.47Å; E151-E155 PolarHBondContact O-N 3.39Å; E155-K158 PolarHBondContact O-N 2.98Å; E155-K158 VanDerWaalsContact OE1-CD 3.31Å; E155-K158 WeakPolarHBondContact OE1-CD 3.46Å; E155-K158 IonicContact OE1-NZ 2.79Å; E155-K158 PolarHBondContact OE1-NZ 2.96Å; E155-H159 WeakPolarHBondContact O-CB 3.46Å; E155-H159 PolarHBondContact O-N 3.26Å |
| 156 | K | 95.1 | Very high | 95.1 | Very high | 135 Ų | 135 | 103 Ų | 103 | 59% | 0.587 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.6 | -39.4 | 171.6 | -78.8 | 171.9 | -179.6 | 176.8 | 0 | 112.6 | L152 K153 E154 S160 | L152-K156 HydrophobicContact CG-CD 4.41Å; L152-K156 WeakPolarHBondContact O-CB 3.37Å; L152-K156 WeakPolarHBondContact O-CD 3.44Å; L152-K156 WeakPolarHBondContact O-CG 3.45Å; L152-K156 PolarHBondContact O-N 3.38Å; L152-K156 VanDerWaalsContact O-N 3.12Å; K153-K156 PolarHBondContact O-N 3.39Å; E154-K156 VanDerWaalsContact C-N 3.3Å; E154-K156 PolarHBondContact O-N 3.1Å; K156-S160 PolarHBondContact O-N 3.41Å; K156-S160 VanDerWaalsContact O-N 3.1Å |
| 157 | S | 93.8 | Very high | 95.2 | Very high | 58 Ų | 58 | 101.3 Ų | 101.3 | 41% | 0.406 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.3 | -45.9 | 173.7 | 45.4 | 0 | 0 | 0 | 0 | 112.2 | K153 E154 H159 S160 E161 | K153-S157 PolarHBondContact O-N 2.97Å; K153-S157 VanDerWaalsContact O-N 3.09Å; K153-S157 PolarHBondContact O-OG 3.47Å; E154-S157 WeakPolarHBondContact CA-OG 3.38Å; E154-S157 PolarHBondContact O-N 3.29Å; E154-S157 VanDerWaalsContact O-N 3.09Å; E154-S157 PolarHBondContact O-OG 2.89Å; S157-H159 VanDerWaalsContact C-N 3.31Å; S157-H159 PolarHBondContact O-N 3.46Å; S157-S160 WeakPolarHBondContact O-CB 3.49Å; S157-S160 PolarHBondContact O-N 3.17Å; S157-S160 VanDerWaalsContact O-N 3.13Å; S157-E161 PolarHBondContact O-N 3.42Å |
| 158 | K | 96.1 | Very high | 95.3 | Very high | 86 Ų | 86 | 103.7 Ų | 103.7 | 37% | 0.374 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.9 | -41.3 | 175.9 | -68.1 | 170.4 | -170.5 | 159.3 | 0 | 112.1 | E154 E155 S160 E161 Q162 | E154-K158 PolarHBondContact O-N 3.39Å; E154-K158 WeakPolarHBondContact OE1-CE 3.43Å; E154-K158 IonicContact OE1-NZ 2.74Å; E154-K158 PolarHBondContact OE1-NZ 3.11Å; E155-K158 PolarHBondContact O-N 2.98Å; E155-K158 VanDerWaalsContact OE1-CD 3.31Å; E155-K158 WeakPolarHBondContact OE1-CD 3.46Å; E155-K158 IonicContact OE1-NZ 2.79Å; E155-K158 PolarHBondContact OE1-NZ 2.96Å; K158-S160 VanDerWaalsContact C-N 3.34Å; K158-E161 PolarHBondContact O-N 2.74Å; K158-Q162 WeakPolarHBondContact O-CB 3.43Å; K158-Q162 PolarHBondContact O-N 3.28Å |
| 159 | H | 92.4 | Very high | 95.4 | Very high | 106 Ų | 106 | 103.4 Ų | 103.4 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 177.7 | -167.3 | 21.4 | 0 | 0 | 0 | 111.8 | E155 S157 Q162 D163 | E155-H159 WeakPolarHBondContact O-CB 3.46Å; E155-H159 PolarHBondContact O-N 3.26Å; S157-H159 VanDerWaalsContact C-N 3.31Å; S157-H159 PolarHBondContact O-N 3.46Å; H159-Q162 WeakPolarHBondContact O-CB 3.39Å; H159-Q162 PolarHBondContact O-N 2.98Å; H159-D163 IonicContact CE1-OD1 3.2Å; H159-D163 IonicContact CE1-OD2 3.75Å; H159-D163 IonicContact ND1-OD1 2.72Å; H159-D163 PolarHBondContact O-N 2.9Å |
| 160 | S | 93.2 | Very high | 95.5 | Very high | 77 Ų | 77 | 102.5 Ų | 102.5 | 54% | 0.538 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 174.3 | -169.3 | 0 | 0 | 0 | 0 | 112.8 | K156 S157 K158 Q162 D163 E164 | K156-S160 PolarHBondContact O-N 3.41Å; K156-S160 VanDerWaalsContact O-N 3.1Å; S157-S160 WeakPolarHBondContact O-CB 3.49Å; S157-S160 PolarHBondContact O-N 3.17Å; S157-S160 VanDerWaalsContact O-N 3.13Å; K158-S160 VanDerWaalsContact C-N 3.34Å; S160-Q162 VanDerWaalsContact C-N 3.3Å; S160-Q162 PolarHBondContact O-N 3.44Å; S160-D163 PolarHBondContact O-N 3.46Å; S160-E164 PolarHBondContact O-N 2.93Å; S160-E164 VanDerWaalsContact O-N 3.07Å |
| 161 | E | 95.9 | Very high | 95.6 | Very high | 124 Ų | 124 | 103.3 Ų | 103.3 | 58% | 0.579 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.5 | -39.4 | 173.5 | -69 | 176.1 | 179.5 | 0 | 0 | 111.2 | S157 K158 E164 L165 | S157-E161 PolarHBondContact O-N 3.42Å; K158-E161 PolarHBondContact O-N 2.74Å; E161-E164 PolarHBondContact O-N 3.46Å; E161-L165 WeakPolarHBondContact O-CG 3.45Å; E161-L165 PolarHBondContact O-N 3.01Å |
| 162 | Q | 94.9 | Very high | 95.7 | Very high | 124 Ų | 124 | 99.4 Ų | 99.4 | 58% | 0.579 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.9 | -35.8 | 178.9 | -154.5 | 172.3 | 45.1 | 0 | 0 | 112.4 | K158 H159 S160 M166 | K158-Q162 WeakPolarHBondContact O-CB 3.43Å; K158-Q162 PolarHBondContact O-N 3.28Å; H159-Q162 WeakPolarHBondContact O-CB 3.39Å; H159-Q162 PolarHBondContact O-N 2.98Å; S160-Q162 VanDerWaalsContact C-N 3.3Å; S160-Q162 PolarHBondContact O-N 3.44Å; Q162-M166 WeakPolarHBondContact O-CB 3.34Å; Q162-M166 VanDerWaalsContact O-CG 3.26Å; Q162-M166 WeakPolarHBondContact O-CG 3.31Å; Q162-M166 PolarHBondContact O-N 3.26Å |
| 163 | D | 94.6 | Very high | 95.7 | Very high | 90 Ų | 90 | 99.9 Ų | 99.9 | 48% | 0.481 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.2 | -38 | 174 | -78.1 | -15.5 | 0 | 0 | 0 | 112.1 | H159 S160 M166 A167 | H159-D163 IonicContact CE1-OD1 3.2Å; H159-D163 IonicContact CE1-OD2 3.75Å; H159-D163 IonicContact ND1-OD1 2.72Å; H159-D163 PolarHBondContact O-N 2.9Å; S160-D163 PolarHBondContact O-N 3.46Å; D163-M166 PolarHBondContact O-N 3.02Å; D163-A167 PolarHBondContact O-N 3.44Å |
| 164 | E | 96.4 | Very high | 95.8 | Very high | 134 Ų | 134 | 97.8 Ų | 97.8 | 63% | 0.626 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.5 | -47.4 | 173.2 | -174.5 | 170 | -165.1 | 0 | 0 | 111.2 | S160 E161 M166 A167 D168 | S160-E164 PolarHBondContact O-N 2.93Å; S160-E164 VanDerWaalsContact O-N 3.07Å; E161-E164 PolarHBondContact O-N 3.46Å; E164-M166 VanDerWaalsContact C-N 3.3Å; E164-M166 PolarHBondContact O-N 3.47Å; E164-A167 WeakPolarHBondContact O-CB 3.47Å; E164-A167 PolarHBondContact O-N 3.35Å; E164-A167 VanDerWaalsContact O-N 3.11Å; E164-D168 PolarHBondContact O-N 2.89Å |
| 165 | L | 97.1 | Very high | 95.9 | Very high | 113 Ų | 113 | 95.6 Ų | 95.6 | 59% | 0.592 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.3 | -39.2 | 173.4 | -70.6 | 173.1 | 0 | 0 | 0 | 112.3 | E161 D168 I169 | E161-L165 WeakPolarHBondContact O-CG 3.45Å; E161-L165 PolarHBondContact O-N 3.01Å; L165-D168 PolarHBondContact O-N 2.92Å; L165-I169 WeakPolarHBondContact O-CB 3.28Å; L165-I169 WeakPolarHBondContact O-CD1 3.28Å; L165-I169 VanDerWaalsContact O-CG1 3.23Å; L165-I169 WeakPolarHBondContact O-CG1 3.4Å; L165-I169 PolarHBondContact O-N 3.26Å |
| 166 | M | 95.4 | Very high | 96 | Very high | 107 Ų | 107 | 95.7 Ų | 95.7 | 53% | 0.527 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.7 | -35.8 | 175.2 | -81.5 | -68.5 | -64.8 | 0 | 0 | 112.7 | Q162 D163 E164 S170 | Q162-M166 WeakPolarHBondContact O-CB 3.34Å; Q162-M166 VanDerWaalsContact O-CG 3.26Å; Q162-M166 WeakPolarHBondContact O-CG 3.31Å; Q162-M166 PolarHBondContact O-N 3.26Å; D163-M166 PolarHBondContact O-N 3.02Å; E164-M166 VanDerWaalsContact C-N 3.3Å; E164-M166 PolarHBondContact O-N 3.47Å; M166-S170 VanDerWaalsContact O-CB 3.3Å; M166-S170 WeakPolarHBondContact O-CB 3.22Å; M166-S170 PolarHBondContact O-N 2.69Å; M166-S170 PolarHBondContact O-OG 2.86Å |
| 167 | A | 96.8 | Very high | 96.1 | Very high | 59 Ų | 59 | 94.8 Ų | 94.8 | 49% | 0.488 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.6 | -44.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D163 E164 S170 K171 | D163-A167 PolarHBondContact O-N 3.44Å; E164-A167 WeakPolarHBondContact O-CB 3.47Å; E164-A167 PolarHBondContact O-N 3.35Å; E164-A167 VanDerWaalsContact O-N 3.11Å; A167-S170 WeakPolarHBondContact O-CB 3.33Å; A167-S170 PolarHBondContact O-N 3.07Å; A167-K171 WeakPolarHBondContact O-CB 3.33Å; A167-K171 PolarHBondContact O-N 3.22Å |
| 168 | D | 97.1 | Very high | 96.2 | Very high | 92 Ų | 92 | 95.3 Ų | 95.3 | 49% | 0.492 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.2 | -41.1 | 177.7 | -93.2 | -14.2 | 0 | 0 | 0 | 112.9 | E164 L165 S170 K171 G172 | E164-D168 PolarHBondContact O-N 2.89Å; L165-D168 PolarHBondContact O-N 2.92Å; D168-S170 VanDerWaalsContact C-N 3.32Å; D168-S170 PolarHBondContact O-N 2.67Å; D168-K171 WeakPolarHBondContact O-CB 3.44Å; D168-K171 PolarHBondContact O-N 2.94Å; D168-G172 PolarHBondContact O-N 2.92Å |
| 169 | I | 97.4 | Very high | 96.2 | Very high | 100 Ų | 100 | 96 Ų | 96 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 171.7 | -70.8 | 165.5 | 0 | 0 | 0 | 110.4 | L165 K171 G172 I173 | L165-I169 WeakPolarHBondContact O-CB 3.28Å; L165-I169 WeakPolarHBondContact O-CD1 3.28Å; L165-I169 VanDerWaalsContact O-CG1 3.23Å; L165-I169 WeakPolarHBondContact O-CG1 3.4Å; L165-I169 PolarHBondContact O-N 3.26Å; I169-K171 VanDerWaalsContact C-N 3.34Å; I169-K171 PolarHBondContact O-N 3.49Å; I169-G172 PolarHBondContact O-N 2.9Å; I169-I173 HydrophobicContact CG2-CD1 3.79Å; I169-I173 HydrophobicContact CG2-CG1 4.45Å; I169-I173 VanDerWaalsContact O-CG1 3.31Å; I169-I173 WeakPolarHBondContact O-CG1 3.29Å; I169-I173 PolarHBondContact O-N 3Å |
| 170 | S | 97.3 | Very high | 96.3 | Very high | 65 Ų | 65 | 93.8 Ų | 93.8 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -40 | 178.8 | -61.9 | 0 | 0 | 0 | 0 | 112.3 | M166 A167 D168 Q174 | M166-S170 VanDerWaalsContact O-CB 3.3Å; M166-S170 WeakPolarHBondContact O-CB 3.22Å; M166-S170 PolarHBondContact O-N 2.69Å; M166-S170 PolarHBondContact O-OG 2.86Å; A167-S170 WeakPolarHBondContact O-CB 3.33Å; A167-S170 PolarHBondContact O-N 3.07Å; D168-S170 VanDerWaalsContact C-N 3.32Å; D168-S170 PolarHBondContact O-N 2.67Å; S170-Q174 WeakPolarHBondContact O-CB 3.46Å; S170-Q174 PolarHBondContact O-N 3.47Å |
| 171 | K | 97.8 | Very high | 96.4 | Very high | 150 Ų | 150 | 95.3 Ų | 95.3 | 65% | 0.652 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.8 | -43.1 | 174.6 | -178.6 | -178.4 | 172.8 | -169 | 0 | 111.9 | A167 D168 I169 Q174 S175 | A167-K171 WeakPolarHBondContact O-CB 3.33Å; A167-K171 PolarHBondContact O-N 3.22Å; D168-K171 WeakPolarHBondContact O-CB 3.44Å; D168-K171 PolarHBondContact O-N 2.94Å; I169-K171 VanDerWaalsContact C-N 3.34Å; I169-K171 PolarHBondContact O-N 3.49Å; K171-Q174 PolarHBondContact O-N 2.96Å; K171-S175 PolarHBondContact O-N 3.42Å |
| 172 | G | 97.7 | Very high | 96.4 | Very high | 34 Ų | 34 | 92.8 Ų | 92.8 | 35% | 0.351 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D168 I169 Q174 S175 L176 | D168-G172 PolarHBondContact O-N 2.92Å; I169-G172 PolarHBondContact O-N 2.9Å; G172-Q174 VanDerWaalsContact C-N 3.28Å; G172-Q174 PolarHBondContact O-N 3.36Å; G172-S175 PolarHBondContact O-N 3.46Å; G172-L176 WeakPolarHBondContact O-CG 3.34Å; G172-L176 PolarHBondContact O-N 3.36Å |
| 173 | I | 96.5 | Very high | 96.4 | Very high | 104 Ų | 104 | 91.2 Ų | 91.2 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.3 | -41.2 | 174.4 | -69.9 | 166.9 | 0 | 0 | 0 | 111 | I169 K177 | I169-I173 HydrophobicContact CG2-CD1 3.79Å; I169-I173 HydrophobicContact CG2-CG1 4.45Å; I169-I173 VanDerWaalsContact O-CG1 3.31Å; I169-I173 WeakPolarHBondContact O-CG1 3.29Å; I169-I173 PolarHBondContact O-N 3Å; I173-K177 WeakPolarHBondContact O-CB 3.29Å; I173-K177 PolarHBondContact O-N 2.93Å |
| 174 | Q | 97.3 | Very high | 96.5 | Very high | 80 Ų | 80 | 93.6 Ų | 93.6 | 37% | 0.374 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.4 | -39.8 | 179.4 | -172.7 | 53.2 | 42.5 | 0 | 0 | 112.3 | S170 K171 G172 K177 D178 | S170-Q174 WeakPolarHBondContact O-CB 3.46Å; S170-Q174 PolarHBondContact O-N 3.47Å; K171-Q174 PolarHBondContact O-N 2.96Å; G172-Q174 VanDerWaalsContact C-N 3.28Å; G172-Q174 PolarHBondContact O-N 3.36Å; Q174-K177 PolarHBondContact O-N 3.44Å; Q174-D178 PolarHBondContact NE2-OD1 3.22Å; Q174-D178 VanDerWaalsContact NE2-OD1 3.11Å; Q174-D178 PolarHBondContact NE2-OD2 2.96Å; Q174-D178 PolarHBondContact O-N 3.32Å |
| 175 | S | 97.4 | Very high | 96.4 | Very high | 61 Ų | 61 | 91 Ų | 91 | 43% | 0.427 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.4 | -54.3 | 172.7 | -165.6 | 0 | 0 | 0 | 0 | 111.5 | K171 G172 K177 D178 E179 | K171-S175 PolarHBondContact O-N 3.42Å; G172-S175 PolarHBondContact O-N 3.46Å; S175-K177 PolarHBondContact O-N 2.98Å; S175-D178 PolarHBondContact O-N 3.42Å; S175-E179 WeakPolarHBondContact O-CG 3.35Å; S175-E179 PolarHBondContact O-N 2.81Å; S175-E179 PolarHBondContact OG-OE1 2.84Å |
| 176 | L | 95.9 | Very high | 96.3 | Very high | 111 Ų | 111 | 91.2 Ų | 91.2 | 58% | 0.581 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.4 | -34.6 | 179.5 | -69.2 | 171.2 | 0 | 0 | 0 | 112.5 | G172 S180 | G172-L176 WeakPolarHBondContact O-CG 3.34Å; G172-L176 PolarHBondContact O-N 3.36Å; L176-S180 VanDerWaalsContact O-CB 3.23Å; L176-S180 WeakPolarHBondContact O-CB 3.43Å; L176-S180 PolarHBondContact O-N 3.2Å |
| 177 | K | 97.3 | Very high | 96.3 | Very high | 116 Ų | 116 | 90.3 Ų | 90.3 | 50% | 0.504 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.3 | -36.5 | 175.5 | -177.4 | 179 | -178.9 | -177 | 0 | 112.2 | I173 Q174 S175 K181 | I173-K177 WeakPolarHBondContact O-CB 3.29Å; I173-K177 PolarHBondContact O-N 2.93Å; Q174-K177 PolarHBondContact O-N 3.44Å; S175-K177 PolarHBondContact O-N 2.98Å; K177-K181 WeakPolarHBondContact O-CG 3.44Å; K177-K181 PolarHBondContact O-N 2.95Å; K177-K181 VanDerWaalsContact O-N 3.13Å |
| 178 | D | 95.1 | Very high | 96.2 | Very high | 69 Ų | 69 | 89.9 Ų | 89.9 | 37% | 0.369 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -79.8 | -37.2 | 178.5 | -68.2 | -26 | 0 | 0 | 0 | 111.9 | Q174 S175 S180 K181 S182 | Q174-D178 PolarHBondContact NE2-OD1 3.22Å; Q174-D178 VanDerWaalsContact NE2-OD1 3.11Å; Q174-D178 PolarHBondContact NE2-OD2 2.96Å; Q174-D178 PolarHBondContact O-N 3.32Å; S175-D178 PolarHBondContact O-N 3.42Å; D178-S180 VanDerWaalsContact C-N 3.34Å; D178-S180 PolarHBondContact O-N 3.48Å; D178-K181 WeakPolarHBondContact O-CB 3.47Å; D178-K181 PolarHBondContact O-N 3.12Å; D178-K181 VanDerWaalsContact O-N 3.15Å; D178-K181 WeakPolarHBondContact OD1-CE 3.37Å; D178-K181 IonicContact OD1-NZ 3.3Å; D178-K181 PolarHBondContact OD1-NZ 2.93Å; D178-S182 PolarHBondContact O-N 3.46Å |
| 179 | E | 96.4 | Very high | 96.1 | Very high | 99 Ų | 99 | 92 Ų | 92 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -55.7 | -48.6 | 165.9 | -72.2 | 164.2 | -132.9 | 0 | 0 | 110.7 | S175 K181 S182 L183 | S175-E179 WeakPolarHBondContact O-CG 3.35Å; S175-E179 PolarHBondContact O-N 2.81Å; S175-E179 PolarHBondContact OG-OE1 2.84Å; E179-K181 VanDerWaalsContact C-N 3.29Å; E179-K181 PolarHBondContact O-N 2.99Å; E179-S182 WeakPolarHBondContact CA-OG 3.48Å; E179-S182 CarbonylContact O-C 3.54Å; E179-S182 WeakPolarHBondContact O-CA 3.44Å; E179-S182 PolarHBondContact O-N 2.97Å; E179-S182 PolarHBondContact O-OG 3.21Å; E179-L183 PolarHBondContact O-N 3.21Å |
| 180 | S | 94.2 | Very high | 96 | Very high | 60 Ų | 60 | 89.8 Ų | 89.8 | 42% | 0.42 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.3 | -37.1 | 175.4 | -176.5 | 0 | 0 | 0 | 0 | 113 | L176 D178 K184 | L176-S180 VanDerWaalsContact O-CB 3.23Å; L176-S180 WeakPolarHBondContact O-CB 3.43Å; L176-S180 PolarHBondContact O-N 3.2Å; D178-S180 VanDerWaalsContact C-N 3.34Å; D178-S180 PolarHBondContact O-N 3.48Å; S180-K184 WeakPolarHBondContact O-CG 3.39Å; S180-K184 PolarHBondContact O-N 2.98Å |
| 181 | K | 96.3 | Very high | 96 | Very high | 110 Ų | 110 | 93.2 Ų | 93.2 | 48% | 0.478 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 172.1 | -68.6 | 168 | -166.5 | 166.3 | 0 | 111.7 | K177 D178 E179 L183 P185 | K177-K181 WeakPolarHBondContact O-CG 3.44Å; K177-K181 PolarHBondContact O-N 2.95Å; K177-K181 VanDerWaalsContact O-N 3.13Å; D178-K181 WeakPolarHBondContact O-CB 3.47Å; D178-K181 PolarHBondContact O-N 3.12Å; D178-K181 VanDerWaalsContact O-N 3.15Å; D178-K181 WeakPolarHBondContact OD1-CE 3.37Å; D178-K181 IonicContact OD1-NZ 3.3Å; D178-K181 PolarHBondContact OD1-NZ 2.93Å; E179-K181 VanDerWaalsContact C-N 3.29Å; E179-K181 PolarHBondContact O-N 2.99Å; K181-L183 VanDerWaalsContact C-N 3.35Å; K181-P185 WeakPolarHBondContact O-CD 3.32Å |
| 182 | S | 94.8 | Very high | 95.8 | Very high | 70 Ų | 70 | 92.4 Ų | 92.4 | 49% | 0.49 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.2 | -26.5 | 178.7 | 70.6 | 0 | 0 | 0 | 0 | 114 | D178 E179 P185 | D178-S182 PolarHBondContact O-N 3.46Å; E179-S182 WeakPolarHBondContact CA-OG 3.48Å; E179-S182 CarbonylContact O-C 3.54Å; E179-S182 WeakPolarHBondContact O-CA 3.44Å; E179-S182 PolarHBondContact O-N 2.97Å; E179-S182 PolarHBondContact O-OG 3.21Å; S182-P185 VanDerWaalsContact O-CD 3.24Å; S182-P185 WeakPolarHBondContact O-CD 3.49Å; S182-P185 WeakPolarHBondContact O-CG 3.34Å |
| 183 | L | 96 | Very high | 95.7 | Very high | 92 Ų | 92 | 93.1 Ų | 93.1 | 48% | 0.482 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -76.3 | -30.1 | 177.7 | -171.3 | 64.6 | 0 | 0 | 0 | 112.1 | E179 K181 Q186 V187 | E179-L183 PolarHBondContact O-N 3.21Å; K181-L183 VanDerWaalsContact C-N 3.35Å; L183-Q186 WeakPolarHBondContact O-CB 3.4Å; L183-Q186 PolarHBondContact O-N 3.43Å; L183-Q186 VanDerWaalsContact O-N 3.15Å; L183-V187 HydrophobicContact CG-CG2 4.17Å; L183-V187 WeakPolarHBondContact O-CG2 3.41Å; L183-V187 PolarHBondContact O-N 3.27Å |
| 184 | K | 95.4 | Very high | 95.7 | Very high | 139 Ų | 139 | 92.7 Ų | 92.7 | 60% | 0.604 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -53 | -49.3 | 177.4 | -77 | 171.8 | -174.3 | -176.9 | 0 | 114.8 | S180 V187 A188 | S180-K184 WeakPolarHBondContact O-CG 3.39Å; S180-K184 PolarHBondContact O-N 2.98Å; K184-V187 PolarHBondContact O-N 3.43Å; K184-A188 PolarHBondContact O-N 2.95Å |
| 185 | P | 94.8 | Very high | 95.7 | Very high | 79 Ų | 79 | 94.5 Ų | 94.5 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 175.7 | 24.4 | -34 | 0 | 0 | 0 | 112.6 | K181 S182 V187 A188 E189 | K181-P185 WeakPolarHBondContact O-CD 3.32Å; S182-P185 VanDerWaalsContact O-CD 3.24Å; S182-P185 WeakPolarHBondContact O-CD 3.49Å; S182-P185 WeakPolarHBondContact O-CG 3.34Å; P185-V187 PolarHBondContact O-N 2.97Å; P185-A188 WeakPolarHBondContact O-CB 3.45Å; P185-A188 PolarHBondContact O-N 2.95Å; P185-A188 VanDerWaalsContact O-N 3.16Å; P185-E189 WeakPolarHBondContact O-CB 3.43Å; P185-E189 PolarHBondContact O-N 2.96Å |
| 186 | Q | 94.6 | Very high | 95.5 | Very high | 119 Ų | 119 | 98.9 Ų | 98.9 | 56% | 0.556 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63 | -41.1 | 175.1 | -63.9 | -178 | -5.8 | 0 | 0 | 111.8 | L183 A188 E189 A190 | L183-Q186 WeakPolarHBondContact O-CB 3.4Å; L183-Q186 PolarHBondContact O-N 3.43Å; L183-Q186 VanDerWaalsContact O-N 3.15Å; Q186-A188 VanDerWaalsContact C-N 3.33Å; Q186-A188 PolarHBondContact O-N 2.86Å; Q186-E189 PolarHBondContact O-N 3Å; Q186-A190 VanDerWaalsContact O-CB 3.31Å; Q186-A190 WeakPolarHBondContact O-CB 3.49Å; Q186-A190 PolarHBondContact O-N 3.22Å |
| 187 | V | 95.9 | Very high | 95.4 | Very high | 87 Ų | 87 | 100.4 Ų | 100.4 | 53% | 0.527 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.2 | -36.5 | 173.9 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | L183 K184 P185 K191 | L183-V187 HydrophobicContact CG-CG2 4.17Å; L183-V187 WeakPolarHBondContact O-CG2 3.41Å; L183-V187 PolarHBondContact O-N 3.27Å; K184-V187 PolarHBondContact O-N 3.43Å; P185-V187 PolarHBondContact O-N 2.97Å; V187-K191 VanDerWaalsContact O-CB 3.24Å; V187-K191 WeakPolarHBondContact O-CB 3.46Å; V187-K191 PolarHBondContact O-N 2.91Å |
| 188 | A | 94.7 | Very high | 95.3 | Very high | 51 Ų | 51 | 99.4 Ų | 99.4 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.8 | -42.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | K184 P185 Q186 K191 M192 | K184-A188 PolarHBondContact O-N 2.95Å; P185-A188 WeakPolarHBondContact O-CB 3.45Å; P185-A188 PolarHBondContact O-N 2.95Å; P185-A188 VanDerWaalsContact O-N 3.16Å; Q186-A188 VanDerWaalsContact C-N 3.33Å; Q186-A188 PolarHBondContact O-N 2.86Å; A188-K191 PolarHBondContact O-N 3.44Å; A188-M192 WeakPolarHBondContact O-CG 3.41Å; A188-M192 PolarHBondContact O-N 3.36Å |
| 189 | E | 95.2 | Very high | 95.2 | Very high | 135 Ų | 135 | 101 Ų | 101 | 63% | 0.631 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.4 | -48.4 | 175 | -175.6 | 175.8 | -175.3 | 0 | 0 | 111.5 | P185 Q186 K191 M192 T193 | P185-E189 WeakPolarHBondContact O-CB 3.43Å; P185-E189 PolarHBondContact O-N 2.96Å; Q186-E189 PolarHBondContact O-N 3Å; E189-K191 VanDerWaalsContact C-N 3.25Å; E189-K191 PolarHBondContact O-N 3.14Å; E189-M192 WeakPolarHBondContact O-CA 3.49Å; E189-M192 WeakPolarHBondContact O-CB 3.34Å; E189-M192 PolarHBondContact O-N 3.38Å; E189-T193 PolarHBondContact O-N 3.45Å; E189-T193 PolarHBondContact O-OG1 3.11Å |
| 190 | A | 95.3 | Very high | 95.1 | Very high | 55 Ų | 55 | 100.2 Ų | 100.2 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.3 | -36.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q186 T193 L194 | Q186-A190 VanDerWaalsContact O-CB 3.31Å; Q186-A190 WeakPolarHBondContact O-CB 3.49Å; Q186-A190 PolarHBondContact O-N 3.22Å; A190-T193 WeakPolarHBondContact CA-OG1 3.34Å; A190-T193 PolarHBondContact O-OG1 2.85Å; A190-L194 VanDerWaalsContact O-CB 3.29Å; A190-L194 WeakPolarHBondContact O-CB 3.46Å; A190-L194 PolarHBondContact O-N 3.38Å |
| 191 | K | 97.3 | Very high | 95.2 | Very high | 136 Ų | 136 | 102.2 Ų | 102.2 | 59% | 0.591 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70.5 | -32.4 | 174.9 | -169.4 | 171.4 | -174.3 | 173.3 | 0 | 112.5 | V187 A188 E189 K195 | V187-K191 VanDerWaalsContact O-CB 3.24Å; V187-K191 WeakPolarHBondContact O-CB 3.46Å; V187-K191 PolarHBondContact O-N 2.91Å; A188-K191 PolarHBondContact O-N 3.44Å; E189-K191 VanDerWaalsContact C-N 3.25Å; E189-K191 PolarHBondContact O-N 3.14Å; K191-K195 WeakPolarHBondContact O-CG 3.49Å; K191-K195 PolarHBondContact O-N 3.14Å |
| 192 | M | 94.3 | Very high | 95 | Very high | 133 Ų | 133 | 102.8 Ų | 102.8 | 66% | 0.655 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -73.2 | -40.3 | 173.8 | -75.2 | -176.6 | 65.6 | 0 | 0 | 112.4 | A188 E189 K195 R196 | A188-M192 WeakPolarHBondContact O-CG 3.41Å; A188-M192 PolarHBondContact O-N 3.36Å; E189-M192 WeakPolarHBondContact O-CA 3.49Å; E189-M192 WeakPolarHBondContact O-CB 3.34Å; E189-M192 PolarHBondContact O-N 3.38Å; M192-K195 PolarHBondContact O-N 2.93Å; M192-R196 PolarHBondContact O-N 3.03Å; M192-R196 VanDerWaalsContact O-N 3.1Å |
| 193 | T | 95.8 | Very high | 95.1 | Very high | 49 Ų | 49 | 105.7 Ų | 105.7 | 30% | 0.301 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.7 | -43.1 | 175.1 | 54.2 | 0 | 0 | 0 | 0 | 111.1 | E189 A190 K195 R196 F197 | E189-T193 PolarHBondContact O-N 3.45Å; E189-T193 PolarHBondContact O-OG1 3.11Å; A190-T193 WeakPolarHBondContact CA-OG1 3.34Å; A190-T193 PolarHBondContact O-OG1 2.85Å; T193-K195 PolarHBondContact O-N 3.27Å; T193-R196 WeakPolarHBondContact O-CA 3.31Å; T193-R196 WeakPolarHBondContact O-CB 3.28Å; T193-R196 PolarHBondContact O-N 3.38Å; T193-F197 WeakPolarHBondContact O-CD2 3.46Å; T193-F197 PolarHBondContact O-N 3.29Å |
| 194 | L | 96.1 | Very high | 95.1 | Very high | 96 Ų | 96 | 106.3 Ų | 106.3 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -56.2 | -46.1 | 173.5 | -177.8 | 65.2 | 0 | 0 | 0 | 112.2 | A190 R196 F197 Q198 | A190-L194 VanDerWaalsContact O-CB 3.29Å; A190-L194 WeakPolarHBondContact O-CB 3.46Å; A190-L194 PolarHBondContact O-N 3.38Å; L194-R196 VanDerWaalsContact C-N 3.29Å; L194-R196 PolarHBondContact O-N 3.19Å; L194-F197 PolarHBondContact O-N 3.49Å; L194-Q198 WeakPolarHBondContact O-CG 3.49Å; L194-Q198 PolarHBondContact O-N 3.32Å |
| 195 | K | 96.1 | Very high | 95.2 | Very high | 117 Ų | 117 | 105.5 Ų | 105.5 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60 | -37.6 | 175 | -80.4 | -176.3 | 172.6 | -165 | 0 | 113 | K191 M192 T193 Q198 M199 | K191-K195 WeakPolarHBondContact O-CG 3.49Å; K191-K195 PolarHBondContact O-N 3.14Å; M192-K195 PolarHBondContact O-N 2.93Å; T193-K195 PolarHBondContact O-N 3.27Å; K195-Q198 PolarHBondContact O-N 3.36Å; K195-M199 HydrophobicContact CB-CE 4.23Å; K195-M199 VanDerWaalsContact O-CE 3.22Å; K195-M199 WeakPolarHBondContact O-CE 3.37Å; K195-M199 PolarHBondContact O-N 2.87Å |
| 196 | R | 94.8 | Very high | 95.3 | Very high | 153 Ų | 153 | 106.7 Ų | 106.7 | 58% | 0.577 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.2 | -43 | 174.9 | -168.6 | -171.1 | -61.4 | 153.2 | 1.7 | 111.1 | M192 T193 L194 M199 N200 | M192-R196 PolarHBondContact O-N 3.03Å; M192-R196 VanDerWaalsContact O-N 3.1Å; T193-R196 WeakPolarHBondContact O-CA 3.31Å; T193-R196 WeakPolarHBondContact O-CB 3.28Å; T193-R196 PolarHBondContact O-N 3.38Å; L194-R196 VanDerWaalsContact C-N 3.29Å; L194-R196 PolarHBondContact O-N 3.19Å; R196-M199 PolarHBondContact O-N 3.11Å; R196-N200 WeakPolarHBondContact O-CB 3.34Å; R196-N200 PolarHBondContact O-N 2.89Å; R196-N200 PolarHBondContact O-OD1 3.21Å |
| 197 | F | 93.6 | Very high | 95.4 | Very high | 143 Ų | 143 | 103.7 Ų | 103.7 | 63% | 0.627 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.9 | -42.6 | 174.6 | -75.7 | -66.6 | 0 | 0 | 0 | 112.2 | T193 L194 N200 E201 | T193-F197 WeakPolarHBondContact O-CD2 3.46Å; T193-F197 PolarHBondContact O-N 3.29Å; L194-F197 PolarHBondContact O-N 3.49Å; F197-N200 PolarHBondContact O-N 3.04Å; F197-E201 WeakPolarHBondContact O-CB 3.3Å; F197-E201 PolarHBondContact O-N 3.29Å |
| 198 | Q | 94.8 | Very high | 95.5 | Very high | 95 Ų | 95 | 103.9 Ų | 103.9 | 44% | 0.444 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.1 | -48.1 | 176.1 | -72.2 | 172.7 | -26.4 | 0 | 0 | 112.4 | L194 K195 N200 E201 E202 | L194-Q198 WeakPolarHBondContact O-CG 3.49Å; L194-Q198 PolarHBondContact O-N 3.32Å; K195-Q198 PolarHBondContact O-N 3.36Å; Q198-N200 VanDerWaalsContact C-N 3.33Å; Q198-N200 PolarHBondContact O-N 2.92Å; Q198-E201 WeakPolarHBondContact O-CB 3.43Å; Q198-E201 PolarHBondContact O-N 3.45Å; Q198-E202 PolarHBondContact O-N 2.92Å |
| 199 | M | 93.2 | Very high | 95.6 | Very high | 104 Ų | 104 | 106.2 Ų | 106.2 | 51% | 0.512 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.7 | -38.3 | 176 | -74.2 | -179.9 | -84.2 | 0 | 0 | 112.5 | K195 R196 Q203 | K195-M199 HydrophobicContact CB-CE 4.23Å; K195-M199 VanDerWaalsContact O-CE 3.22Å; K195-M199 WeakPolarHBondContact O-CE 3.37Å; K195-M199 PolarHBondContact O-N 2.87Å; R196-M199 PolarHBondContact O-N 3.11Å; M199-Q203 WeakPolarHBondContact O-CG 3.48Å; M199-Q203 PolarHBondContact O-N 3.44Å; M199-Q203 VanDerWaalsContact O-N 3.07Å |
| 200 | N | 94.9 | Very high | 95.7 | Very high | 82 Ų | 82 | 103.7 Ų | 103.7 | 44% | 0.439 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.1 | -35.2 | 175.5 | -69.4 | 2.7 | 0 | 0 | 0 | 112.1 | R196 F197 Q198 Q203 L204 | R196-N200 WeakPolarHBondContact O-CB 3.34Å; R196-N200 PolarHBondContact O-N 2.89Å; R196-N200 PolarHBondContact O-OD1 3.21Å; F197-N200 PolarHBondContact O-N 3.04Å; Q198-N200 VanDerWaalsContact C-N 3.33Å; Q198-N200 PolarHBondContact O-N 2.92Å; N200-Q203 PolarHBondContact O-N 3.46Å; N200-L204 VanDerWaalsContact O-CB 3.31Å; N200-L204 WeakPolarHBondContact O-CB 3.31Å; N200-L204 PolarHBondContact O-N 3.02Å |
| 201 | E | 94.7 | Very high | 95.8 | Very high | 101 Ų | 101 | 103.5 Ų | 103.5 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.2 | -42 | 176.3 | -170 | -166.9 | 149.8 | 0 | 0 | 111.3 | F197 Q198 L204 K205 | F197-E201 WeakPolarHBondContact O-CB 3.3Å; F197-E201 PolarHBondContact O-N 3.29Å; Q198-E201 WeakPolarHBondContact O-CB 3.43Å; Q198-E201 PolarHBondContact O-N 3.45Å; E201-L204 PolarHBondContact O-N 2.95Å; E201-K205 WeakPolarHBondContact O-CG 3.25Å; E201-K205 PolarHBondContact O-N 3.47Å; E201-K205 VanDerWaalsContact OE1-CE 3.22Å; E201-K205 WeakPolarHBondContact OE1-CE 3.37Å; E201-K205 IonicContact OE1-NZ 3.59Å; E201-K205 PolarHBondContact OE1-NZ 3.27Å |
| 202 | E | 93.9 | Very high | 95.8 | Very high | 123 Ų | 123 | 101.9 Ų | 101.9 | 58% | 0.575 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.7 | -46.1 | 173.6 | -71.4 | 175.1 | 177.9 | 0 | 0 | 111.7 | Q198 L204 K205 I206 | Q198-E202 PolarHBondContact O-N 2.92Å; E202-L204 VanDerWaalsContact C-N 3.33Å; E202-L204 PolarHBondContact O-N 3.46Å; E202-K205 PolarHBondContact O-N 3.01Å; E202-I206 WeakPolarHBondContact O-CG1 3.34Å; E202-I206 PolarHBondContact O-N 2.87Å; E202-I206 VanDerWaalsContact O-N 3.09Å |
| 203 | Q | 95.4 | Very high | 95.9 | Very high | 130 Ų | 130 | 99 Ų | 99 | 61% | 0.607 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.9 | -41 | 174.9 | -73.1 | 179.2 | 5.1 | 0 | 0 | 112.4 | M199 N200 I206 A207 | M199-Q203 WeakPolarHBondContact O-CG 3.48Å; M199-Q203 PolarHBondContact O-N 3.44Å; M199-Q203 VanDerWaalsContact O-N 3.07Å; N200-Q203 PolarHBondContact O-N 3.46Å; Q203-I206 PolarHBondContact O-N 3.18Å; Q203-A207 PolarHBondContact O-N 3.41Å |
| 204 | L | 96.6 | Very high | 96 | Very high | 106 Ų | 106 | 102.5 Ų | 102.5 | 56% | 0.555 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.4 | -38.5 | 177.6 | -176.7 | 61.7 | 0 | 0 | 0 | 111.9 | N200 E201 E202 A207 I208 | N200-L204 VanDerWaalsContact O-CB 3.31Å; N200-L204 WeakPolarHBondContact O-CB 3.31Å; N200-L204 PolarHBondContact O-N 3.02Å; E201-L204 PolarHBondContact O-N 2.95Å; E202-L204 VanDerWaalsContact C-N 3.33Å; E202-L204 PolarHBondContact O-N 3.46Å; L204-A207 PolarHBondContact O-N 3.16Å; L204-I208 HydrophobicContact CD1-CD1 4.2Å; L204-I208 HydrophobicContact CD1-CG1 4.37Å; L204-I208 HydrophobicContact CG-CD1 3.91Å; L204-I208 HydrophobicContact CG-CG1 4.5Å; L204-I208 WeakPolarHBondContact O-CB 3.48Å; L204-I208 VanDerWaalsContact O-CG1 3.25Å; L204-I208 WeakPolarHBondContact O-CG1 3.45Å; L204-I208 PolarHBondContact O-N 2.98Å |
| 205 | K | 97.6 | Very high | 96 | Very high | 121 Ų | 121 | 101.6 Ų | 101.6 | 53% | 0.526 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 174.1 | -76.1 | 169.3 | -174.9 | 166.2 | 0 | 112.1 | E201 E202 I208 Q209 | E201-K205 WeakPolarHBondContact O-CG 3.25Å; E201-K205 PolarHBondContact O-N 3.47Å; E201-K205 VanDerWaalsContact OE1-CE 3.22Å; E201-K205 WeakPolarHBondContact OE1-CE 3.37Å; E201-K205 IonicContact OE1-NZ 3.59Å; E201-K205 PolarHBondContact OE1-NZ 3.27Å; E202-K205 PolarHBondContact O-N 3.01Å; K205-I208 PolarHBondContact O-N 3.17Å; K205-Q209 WeakPolarHBondContact O-CB 3.21Å; K205-Q209 PolarHBondContact O-N 3.47Å |
| 206 | I | 96.5 | Very high | 96 | Very high | 104 Ų | 104 | 98.9 Ų | 98.9 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.1 | -51.8 | 175.3 | -65.2 | 165.2 | 0 | 0 | 0 | 109.8 | E202 Q203 I208 Q209 D210 | E202-I206 WeakPolarHBondContact O-CG1 3.34Å; E202-I206 PolarHBondContact O-N 2.87Å; E202-I206 VanDerWaalsContact O-N 3.09Å; Q203-I206 PolarHBondContact O-N 3.18Å; I206-I208 VanDerWaalsContact C-N 3.3Å; I206-I208 PolarHBondContact O-N 3.04Å; I206-Q209 WeakPolarHBondContact O-CB 3.4Å; I206-Q209 PolarHBondContact O-N 3.07Å; I206-D210 WeakPolarHBondContact CG2-OD2 3.29Å; I206-D210 PolarHBondContact O-N 2.92Å |
| 207 | A | 97.5 | Very high | 96.1 | Very high | 56 Ų | 56 | 97.8 Ų | 97.8 | 46% | 0.463 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60 | -36 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q203 L204 A211 | Q203-A207 PolarHBondContact O-N 3.41Å; L204-A207 PolarHBondContact O-N 3.16Å; A207-A211 WeakPolarHBondContact O-CB 3.5Å; A207-A211 PolarHBondContact O-N 3.46Å |
| 208 | I | 97.1 | Very high | 96.2 | Very high | 91 Ų | 91 | 96.4 Ų | 96.4 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.8 | -43.1 | 173.1 | -71.3 | 166.6 | 0 | 0 | 0 | 110.8 | L204 K205 I206 A211 L212 | L204-I208 HydrophobicContact CD1-CD1 4.2Å; L204-I208 HydrophobicContact CD1-CG1 4.37Å; L204-I208 HydrophobicContact CG-CD1 3.91Å; L204-I208 HydrophobicContact CG-CG1 4.5Å; L204-I208 WeakPolarHBondContact O-CB 3.48Å; L204-I208 VanDerWaalsContact O-CG1 3.25Å; L204-I208 WeakPolarHBondContact O-CG1 3.45Å; L204-I208 PolarHBondContact O-N 2.98Å; K205-I208 PolarHBondContact O-N 3.17Å; I206-I208 VanDerWaalsContact C-N 3.3Å; I206-I208 PolarHBondContact O-N 3.04Å; I208-A211 PolarHBondContact O-N 3.24Å; I208-L212 HydrophobicContact CG2-CD1 4.09Å; I208-L212 WeakPolarHBondContact O-CB 3.42Å; I208-L212 VanDerWaalsContact O-CG 3.29Å; I208-L212 WeakPolarHBondContact O-CG 3.49Å; I208-L212 PolarHBondContact O-N 3.21Å |
| 209 | Q | 97.8 | Very high | 96.3 | Very high | 101 Ų | 101 | 99.3 Ų | 99.3 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 178.7 | -173.1 | 59.5 | 58.3 | 0 | 0 | 111.8 | K205 I206 L212 N213 | K205-Q209 WeakPolarHBondContact O-CB 3.21Å; K205-Q209 PolarHBondContact O-N 3.47Å; I206-Q209 WeakPolarHBondContact O-CB 3.4Å; I206-Q209 PolarHBondContact O-N 3.07Å; Q209-L212 PolarHBondContact O-N 2.97Å; Q209-N213 PolarHBondContact NE2-OD1 2.9Å; Q209-N213 PolarHBondContact O-N 2.95Å; Q209-N213 PolarHBondContact O-ND2 3.11Å; Q209-N213 PolarHBondContact O-OD1 3.49Å |
| 210 | D | 96.7 | Very high | 96.5 | Very high | 81 Ų | 81 | 99.4 Ų | 99.4 | 43% | 0.433 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -46.7 | 176 | -67.1 | -26.4 | 0 | 0 | 0 | 111 | I206 L212 N213 E214 | I206-D210 WeakPolarHBondContact CG2-OD2 3.29Å; I206-D210 PolarHBondContact O-N 2.92Å; D210-L212 VanDerWaalsContact C-N 3.29Å; D210-L212 PolarHBondContact O-N 2.8Å; D210-N213 WeakPolarHBondContact O-CB 3.49Å; D210-N213 PolarHBondContact O-N 3.48Å; D210-N213 VanDerWaalsContact O-N 3.08Å; D210-E214 WeakPolarHBondContact O-CG 3.42Å; D210-E214 PolarHBondContact O-N 3.31Å |
| 211 | A | 97.4 | Very high | 96.5 | Very high | 52 Ų | 52 | 97.6 Ų | 97.6 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -33.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A207 I208 N215 | A207-A211 WeakPolarHBondContact O-CB 3.5Å; A207-A211 PolarHBondContact O-N 3.46Å; I208-A211 PolarHBondContact O-N 3.24Å; A211-N215 WeakPolarHBondContact O-CB 3.45Å; A211-N215 PolarHBondContact O-N 3.38Å |
| 212 | L | 97.7 | Very high | 96.6 | Very high | 101 Ų | 101 | 98.5 Ų | 98.5 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.6 | -39.6 | 172.6 | -74.7 | 171.3 | 0 | 0 | 0 | 111.9 | I208 Q209 D210 N215 S216 | I208-L212 HydrophobicContact CG2-CD1 4.09Å; I208-L212 WeakPolarHBondContact O-CB 3.42Å; I208-L212 VanDerWaalsContact O-CG 3.29Å; I208-L212 WeakPolarHBondContact O-CG 3.49Å; I208-L212 PolarHBondContact O-N 3.21Å; Q209-L212 PolarHBondContact O-N 2.97Å; D210-L212 VanDerWaalsContact C-N 3.29Å; D210-L212 PolarHBondContact O-N 2.8Å; L212-N215 PolarHBondContact O-N 2.74Å; L212-S216 PolarHBondContact O-N 3.41Å |
| 213 | N | 96.6 | Very high | 96.7 | Very high | 73 Ų | 73 | 99 Ų | 99 | 39% | 0.39 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.1 | -46 | 176.4 | -62.7 | -23 | 0 | 0 | 0 | 110.9 | Q209 D210 N215 S216 Q217 | Q209-N213 PolarHBondContact NE2-OD1 2.9Å; Q209-N213 PolarHBondContact O-N 2.95Å; Q209-N213 PolarHBondContact O-ND2 3.11Å; Q209-N213 PolarHBondContact O-OD1 3.49Å; D210-N213 WeakPolarHBondContact O-CB 3.49Å; D210-N213 PolarHBondContact O-N 3.48Å; D210-N213 VanDerWaalsContact O-N 3.08Å; N213-N215 VanDerWaalsContact C-N 3.34Å; N213-N215 PolarHBondContact O-N 2.99Å; N213-S216 WeakPolarHBondContact O-CB 3.25Å; N213-S216 PolarHBondContact O-N 3.35Å; N213-Q217 PolarHBondContact O-N 2.83Å |
| 214 | E | 96.8 | Very high | 96.8 | Very high | 122 Ų | 122 | 98.1 Ų | 98.1 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.5 | -43.6 | 173.1 | -71.7 | 179.5 | -178.2 | 0 | 0 | 111.6 | D210 S216 Q217 L218 | D210-E214 WeakPolarHBondContact O-CG 3.42Å; D210-E214 PolarHBondContact O-N 3.31Å; E214-S216 VanDerWaalsContact C-N 3.3Å; E214-S216 PolarHBondContact O-N 2.81Å; E214-Q217 PolarHBondContact O-N 3.06Å; E214-L218 WeakPolarHBondContact O-CB 3.25Å; E214-L218 WeakPolarHBondContact O-CG 3.44Å; E214-L218 PolarHBondContact O-N 3.17Å |
| 215 | N | 96.7 | Very high | 96.7 | Very high | 78 Ų | 78 | 98.2 Ų | 98.2 | 42% | 0.417 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.3 | -37.1 | 176.5 | -156.6 | -74.8 | 0 | 0 | 0 | 112.1 | A211 L212 N213 L218 R219 | A211-N215 WeakPolarHBondContact O-CB 3.45Å; A211-N215 PolarHBondContact O-N 3.38Å; L212-N215 PolarHBondContact O-N 2.74Å; N213-N215 VanDerWaalsContact C-N 3.34Å; N213-N215 PolarHBondContact O-N 2.99Å; N215-L218 PolarHBondContact O-N 3.23Å; N215-R219 VanDerWaalsContact O-CG 3.31Å; N215-R219 WeakPolarHBondContact O-CG 3.49Å; N215-R219 PolarHBondContact O-N 3.13Å; N215-R219 PolarHBondContact OD1-NE 3.34Å |
| 216 | S | 95.9 | Very high | 96.7 | Very high | 59 Ų | 59 | 97.4 Ų | 97.4 | 41% | 0.413 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 174.2 | -162.2 | 0 | 0 | 0 | 0 | 111.5 | L212 N213 E214 L218 R219 E220 | L212-S216 PolarHBondContact O-N 3.41Å; N213-S216 WeakPolarHBondContact O-CB 3.25Å; N213-S216 PolarHBondContact O-N 3.35Å; E214-S216 VanDerWaalsContact C-N 3.3Å; E214-S216 PolarHBondContact O-N 2.81Å; S216-L218 PolarHBondContact O-N 3.46Å; S216-R219 PolarHBondContact O-N 2.95Å; S216-E220 PolarHBondContact O-N 3.42Å |
| 217 | Q | 96.8 | Very high | 96.7 | Very high | 131 Ų | 131 | 98.2 Ų | 98.2 | 61% | 0.612 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.6 | -41.1 | 177.1 | -67.5 | 176.8 | 6.1 | 0 | 0 | 111.9 | N213 E214 R219 E220 S221 | N213-Q217 PolarHBondContact O-N 2.83Å; E214-Q217 PolarHBondContact O-N 3.06Å; Q217-R219 VanDerWaalsContact C-N 3.34Å; Q217-R219 PolarHBondContact O-N 3.38Å; Q217-E220 PolarHBondContact O-N 2.86Å; Q217-S221 PolarHBondContact O-N 3.12Å; Q217-S221 PolarHBondContact O-OG 3.47Å |
| 218 | L | 96.6 | Very high | 96.6 | Very high | 113 Ų | 113 | 100.7 Ų | 100.7 | 59% | 0.592 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.6 | -33.4 | 175.6 | -71.1 | 172.2 | 0 | 0 | 0 | 112.9 | E214 N215 S216 S221 Q222 | E214-L218 WeakPolarHBondContact O-CB 3.25Å; E214-L218 WeakPolarHBondContact O-CG 3.44Å; E214-L218 PolarHBondContact O-N 3.17Å; N215-L218 PolarHBondContact O-N 3.23Å; S216-L218 PolarHBondContact O-N 3.46Å; L218-S221 PolarHBondContact O-OG 2.58Å; L218-S221 VanDerWaalsContact O-OG 3.11Å; L218-Q222 VanDerWaalsContact O-CB 3.28Å; L218-Q222 WeakPolarHBondContact O-CB 3.3Å; L218-Q222 PolarHBondContact O-N 3.44Å |
| 219 | R | 96.4 | Very high | 96.5 | Very high | 156 Ų | 156 | 99 Ų | 99 | 59% | 0.589 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -70 | -32.4 | 172 | -74.5 | 173.5 | -179.9 | -146.6 | -5.9 | 112.4 | N215 S216 Q217 K223 | N215-R219 VanDerWaalsContact O-CG 3.31Å; N215-R219 WeakPolarHBondContact O-CG 3.49Å; N215-R219 PolarHBondContact O-N 3.13Å; N215-R219 PolarHBondContact OD1-NE 3.34Å; S216-R219 PolarHBondContact O-N 2.95Å; Q217-R219 VanDerWaalsContact C-N 3.34Å; Q217-R219 PolarHBondContact O-N 3.38Å; R219-K223 WeakPolarHBondContact O-CG 3.31Å; R219-K223 PolarHBondContact O-N 3.18Å |
| 220 | E | 96.8 | Very high | 96.5 | Very high | 106 Ų | 106 | 100.2 Ų | 100.2 | 50% | 0.495 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.7 | -44.7 | 175.2 | -73.9 | 171.5 | -165.8 | 0 | 0 | 111.4 | S216 Q217 Q222 K223 Q224 | S216-E220 PolarHBondContact O-N 3.42Å; Q217-E220 PolarHBondContact O-N 2.86Å; E220-Q222 VanDerWaalsContact C-N 3.35Å; E220-Q222 PolarHBondContact O-N 3.1Å; E220-K223 WeakPolarHBondContact O-CB 3.38Å; E220-K223 PolarHBondContact O-N 3.38Å; E220-Q224 WeakPolarHBondContact O-CG 3.46Å; E220-Q224 PolarHBondContact O-N 3.17Å |
| 221 | S | 95.6 | Very high | 96.5 | Very high | 45 Ų | 45 | 99.9 Ų | 99.9 | 32% | 0.315 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.7 | -36.1 | 174.2 | 67.7 | 0 | 0 | 0 | 0 | 112.4 | Q217 L218 K223 Q224 L225 | Q217-S221 PolarHBondContact O-N 3.12Å; Q217-S221 PolarHBondContact O-OG 3.47Å; L218-S221 PolarHBondContact O-OG 2.58Å; L218-S221 VanDerWaalsContact O-OG 3.11Å; S221-K223 VanDerWaalsContact C-N 3.32Å; S221-K223 PolarHBondContact O-N 3.46Å; S221-Q224 PolarHBondContact O-N 3.03Å; S221-L225 WeakPolarHBondContact O-CG 3.46Å; S221-L225 PolarHBondContact O-N 2.89Å |
| 222 | Q | 95.6 | Very high | 96.4 | Very high | 119 Ų | 119 | 105.1 Ų | 105.1 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.1 | -41.5 | 171.4 | -173.7 | -174.8 | 13.4 | 0 | 0 | 112.1 | L218 E220 L226 | L218-Q222 VanDerWaalsContact O-CB 3.28Å; L218-Q222 WeakPolarHBondContact O-CB 3.3Å; L218-Q222 PolarHBondContact O-N 3.44Å; E220-Q222 VanDerWaalsContact C-N 3.35Å; E220-Q222 PolarHBondContact O-N 3.1Å; Q222-L226 HydrophobicContact CG-CD1 4.35Å; Q222-L226 WeakPolarHBondContact O-CG 3.49Å; Q222-L226 PolarHBondContact O-N 3.01Å |
| 223 | K | 97.1 | Very high | 96.4 | Very high | 135 Ų | 135 | 108 Ų | 108 | 59% | 0.587 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.4 | -41 | 175.8 | -73.7 | 169.8 | -178.8 | 177.4 | 0 | 112 | R219 E220 S221 L226 Q227 | R219-K223 WeakPolarHBondContact O-CG 3.31Å; R219-K223 PolarHBondContact O-N 3.18Å; E220-K223 WeakPolarHBondContact O-CB 3.38Å; E220-K223 PolarHBondContact O-N 3.38Å; S221-K223 VanDerWaalsContact C-N 3.32Å; S221-K223 PolarHBondContact O-N 3.46Å; K223-L226 PolarHBondContact O-N 3.06Å; K223-Q227 WeakPolarHBondContact O-CG 3.36Å; K223-Q227 PolarHBondContact O-N 3.46Å |
| 224 | Q | 96.6 | Very high | 96.4 | Very high | 111 Ų | 111 | 110.9 Ų | 110.9 | 52% | 0.519 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.9 | -48.6 | 176.4 | -70.4 | 169.3 | -9.7 | 0 | 0 | 111 | E220 S221 L226 Q227 E228 | E220-Q224 WeakPolarHBondContact O-CG 3.46Å; E220-Q224 PolarHBondContact O-N 3.17Å; S221-Q224 PolarHBondContact O-N 3.03Å; Q224-L226 VanDerWaalsContact C-N 3.29Å; Q224-L226 PolarHBondContact O-N 3.23Å; Q224-Q227 WeakPolarHBondContact O-CB 3.47Å; Q224-Q227 PolarHBondContact O-N 2.89Å; Q224-Q227 VanDerWaalsContact O-N 3.11Å; Q224-E228 WeakPolarHBondContact O-CG 3.29Å; Q224-E228 PolarHBondContact O-N 3.47Å |
| 225 | L | 95.4 | Very high | 96.4 | Very high | 107 Ų | 107 | 109.5 Ų | 109.5 | 56% | 0.56 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62 | -33.7 | 177.1 | -70.3 | 171.5 | 0 | 0 | 0 | 113.1 | S221 A229 | S221-L225 WeakPolarHBondContact O-CG 3.46Å; S221-L225 PolarHBondContact O-N 2.89Å; L225-A229 WeakPolarHBondContact O-CB 3.41Å; L225-A229 PolarHBondContact O-N 2.94Å |
| 226 | L | 96.8 | Very high | 96.4 | Very high | 104 Ų | 104 | 110.2 Ų | 110.2 | 55% | 0.545 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.9 | -43.2 | 172.6 | -76.3 | 168.4 | 0 | 0 | 0 | 111.9 | Q222 K223 Q224 A229 E230 | Q222-L226 HydrophobicContact CG-CD1 4.35Å; Q222-L226 WeakPolarHBondContact O-CG 3.49Å; Q222-L226 PolarHBondContact O-N 3.01Å; K223-L226 PolarHBondContact O-N 3.06Å; Q224-L226 VanDerWaalsContact C-N 3.29Å; Q224-L226 PolarHBondContact O-N 3.23Å; L226-A229 PolarHBondContact O-N 2.99Å; L226-E230 WeakPolarHBondContact O-CG 3.22Å; L226-E230 PolarHBondContact O-N 3.41Å |
| 227 | Q | 96.3 | Very high | 96.4 | Very high | 122 Ų | 122 | 110.1 Ų | 110.1 | 57% | 0.57 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.9 | -41.8 | 175 | -72 | 177.2 | -24.1 | 0 | 0 | 111.8 | K223 Q224 A229 E230 V231 | K223-Q227 WeakPolarHBondContact O-CG 3.36Å; K223-Q227 PolarHBondContact O-N 3.46Å; Q224-Q227 WeakPolarHBondContact O-CB 3.47Å; Q224-Q227 PolarHBondContact O-N 2.89Å; Q224-Q227 VanDerWaalsContact O-N 3.11Å; Q227-A229 VanDerWaalsContact C-N 3.35Å; Q227-A229 PolarHBondContact O-N 3.07Å; Q227-E230 PolarHBondContact O-N 3.03Å; Q227-V231 WeakPolarHBondContact O-CG2 3.34Å; Q227-V231 PolarHBondContact O-N 2.95Å |
| 228 | E | 96.3 | Very high | 96.4 | Very high | 107 Ų | 107 | 107.9 Ų | 107.9 | 50% | 0.5 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 173.5 | -72.5 | 177.2 | -164 | 0 | 0 | 111.4 | Q224 E230 V231 W232 | Q224-E228 WeakPolarHBondContact O-CG 3.29Å; Q224-E228 PolarHBondContact O-N 3.47Å; E228-E230 VanDerWaalsContact C-N 3.32Å; E228-E230 PolarHBondContact O-N 3.3Å; E228-V231 PolarHBondContact O-N 3.48Å; E228-W232 PolarHBondContact O-N 3Å |
| 229 | A | 95.2 | Very high | 96.4 | Very high | 56 Ų | 56 | 107.6 Ų | 107.6 | 46% | 0.463 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.7 | -34.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L225 L226 Q227 K233 | L225-A229 WeakPolarHBondContact O-CB 3.41Å; L225-A229 PolarHBondContact O-N 2.94Å; L226-A229 PolarHBondContact O-N 2.99Å; Q227-A229 VanDerWaalsContact C-N 3.35Å; Q227-A229 PolarHBondContact O-N 3.07Å; A229-K233 WeakPolarHBondContact O-CB 3.41Å; A229-K233 PolarHBondContact O-N 2.7Å |
| 230 | E | 96.6 | Very high | 96.4 | Very high | 127 Ų | 127 | 104.3 Ų | 104.3 | 59% | 0.593 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65 | -44.8 | 171.6 | -73.5 | 177.5 | 164.7 | 0 | 0 | 111.6 | L226 Q227 E228 K233 E234 | L226-E230 WeakPolarHBondContact O-CG 3.22Å; L226-E230 PolarHBondContact O-N 3.41Å; Q227-E230 PolarHBondContact O-N 3.03Å; E228-E230 VanDerWaalsContact C-N 3.32Å; E228-E230 PolarHBondContact O-N 3.3Å; E230-K233 WeakPolarHBondContact O-CB 3.39Å; E230-K233 PolarHBondContact O-N 2.83Å; E230-E234 PolarHBondContact O-N 2.79Å |
| 231 | V | 97.5 | Very high | 96.5 | Very high | 73 Ų | 73 | 104.7 Ų | 104.7 | 44% | 0.442 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 175 | 173 | 0 | 0 | 0 | 0 | 111.7 | Q227 E228 K233 E234 Q235 | Q227-V231 WeakPolarHBondContact O-CG2 3.34Å; Q227-V231 PolarHBondContact O-N 2.95Å; E228-V231 PolarHBondContact O-N 3.48Å; V231-K233 VanDerWaalsContact C-N 3.31Å; V231-K233 PolarHBondContact O-N 3.29Å; V231-E234 PolarHBondContact O-N 3.45Å; V231-Q235 WeakPolarHBondContact O-CG 3.38Å; V231-Q235 PolarHBondContact O-N 2.91Å |
| 232 | W | 96.1 | Very high | 96.5 | Very high | 162 Ų | 162 | 107.5 Ų | 107.5 | 61% | 0.614 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.7 | -38.8 | 174.8 | -79.4 | 114 | 0 | 0 | 0 | 112.1 | E228 Q235 V236 | E228-W232 PolarHBondContact O-N 3Å; W232-Q235 VanDerWaalsContact CZ3-OE1 3.29Å; W232-Q235 PolarHBondContact O-N 3.43Å; W232-V236 WeakPolarHBondContact O-CB 3.17Å; W232-V236 VanDerWaalsContact O-CG2 3.31Å; W232-V236 WeakPolarHBondContact O-CG2 3.42Å; W232-V236 PolarHBondContact O-N 3.38Å |
| 233 | K | 97.1 | Very high | 96.6 | Very high | 161 Ų | 161 | 108.4 Ų | 108.4 | 70% | 0.7 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.2 | -40.5 | 174.5 | 179.1 | -172.7 | 174.4 | -169.8 | 0 | 111.8 | A229 E230 V231 S237 | A229-K233 WeakPolarHBondContact O-CB 3.41Å; A229-K233 PolarHBondContact O-N 2.7Å; E230-K233 WeakPolarHBondContact O-CB 3.39Å; E230-K233 PolarHBondContact O-N 2.83Å; V231-K233 VanDerWaalsContact C-N 3.31Å; V231-K233 PolarHBondContact O-N 3.29Å; K233-S237 WeakPolarHBondContact O-CB 3.47Å; K233-S237 PolarHBondContact O-N 3.3Å |
| 234 | E | 96.6 | Very high | 96.6 | Very high | 134 Ų | 134 | 106.2 Ų | 106.2 | 63% | 0.626 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.9 | -47.8 | 173.4 | -71.4 | -174.7 | 167.5 | 0 | 0 | 111.5 | E230 V231 V236 S237 E238 | E230-E234 PolarHBondContact O-N 2.79Å; V231-E234 PolarHBondContact O-N 3.45Å; E234-V236 PolarHBondContact O-N 3.14Å; E234-S237 WeakPolarHBondContact O-CA 3.3Å; E234-S237 WeakPolarHBondContact O-CB 3.32Å; E234-S237 PolarHBondContact O-N 3.34Å; E234-S237 VanDerWaalsContact O-N 3.07Å; E234-S237 PolarHBondContact O-OG 3.11Å; E234-E238 PolarHBondContact O-N 3.37Å |
| 235 | Q | 96.4 | Very high | 96.5 | Very high | 94 Ų | 94 | 105.2 Ų | 105.2 | 44% | 0.439 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.4 | -43.4 | 177 | -70.2 | -179.2 | 9.5 | 0 | 0 | 112.6 | V231 W232 S237 E238 L239 | V231-Q235 WeakPolarHBondContact O-CG 3.38Å; V231-Q235 PolarHBondContact O-N 2.91Å; W232-Q235 VanDerWaalsContact CZ3-OE1 3.29Å; W232-Q235 PolarHBondContact O-N 3.43Å; Q235-S237 VanDerWaalsContact C-N 3.31Å; Q235-S237 PolarHBondContact O-N 2.7Å; Q235-E238 PolarHBondContact O-N 2.62Å; Q235-L239 WeakPolarHBondContact O-CG 3.46Å; Q235-L239 PolarHBondContact O-N 3.31Å |
| 236 | V | 96.6 | Very high | 96.5 | Very high | 93 Ų | 93 | 106.9 Ų | 106.9 | 56% | 0.564 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63 | -38.8 | 174.3 | 169 | 0 | 0 | 0 | 0 | 111.1 | W232 E234 E238 N240 | W232-V236 WeakPolarHBondContact O-CB 3.17Å; W232-V236 VanDerWaalsContact O-CG2 3.31Å; W232-V236 WeakPolarHBondContact O-CG2 3.42Å; W232-V236 PolarHBondContact O-N 3.38Å; E234-V236 PolarHBondContact O-N 3.14Å; V236-E238 VanDerWaalsContact C-N 3.34Å; V236-E238 PolarHBondContact O-N 2.79Å; V236-N240 WeakPolarHBondContact O-CB 3.38Å; V236-N240 PolarHBondContact O-N 2.95Å |
| 237 | S | 95.6 | Very high | 96.5 | Very high | 56 Ų | 56 | 105.7 Ų | 105.7 | 39% | 0.392 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.8 | -37.6 | 176 | 84.1 | 0 | 0 | 0 | 0 | 112.4 | K233 E234 Q235 N240 K241 | K233-S237 WeakPolarHBondContact O-CB 3.47Å; K233-S237 PolarHBondContact O-N 3.3Å; E234-S237 WeakPolarHBondContact O-CA 3.3Å; E234-S237 WeakPolarHBondContact O-CB 3.32Å; E234-S237 PolarHBondContact O-N 3.34Å; E234-S237 VanDerWaalsContact O-N 3.07Å; E234-S237 PolarHBondContact O-OG 3.11Å; Q235-S237 VanDerWaalsContact C-N 3.31Å; Q235-S237 PolarHBondContact O-N 2.7Å; S237-N240 PolarHBondContact O-N 3.32Å; S237-K241 WeakPolarHBondContact O-CG 3.46Å; S237-K241 PolarHBondContact O-N 3.33Å; S237-K241 VanDerWaalsContact O-N 3.1Å |
| 238 | E | 97.4 | Very high | 96.6 | Very high | 84 Ų | 84 | 104.8 Ų | 104.8 | 39% | 0.393 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.1 | -44.7 | 178.6 | -168 | 57.3 | -143.6 | 0 | 0 | 111.7 | E234 Q235 V236 N240 K241 Q242 | E234-E238 PolarHBondContact O-N 3.37Å; Q235-E238 PolarHBondContact O-N 2.62Å; V236-E238 VanDerWaalsContact C-N 3.34Å; V236-E238 PolarHBondContact O-N 2.79Å; E238-N240 PolarHBondContact O-N 3.22Å; E238-K241 WeakPolarHBondContact O-CB 3.14Å; E238-K241 PolarHBondContact O-N 2.97Å; E238-K241 VanDerWaalsContact O-N 3.11Å; E238-K241 WeakPolarHBondContact OE2-CD 3.43Å; E238-K241 WeakPolarHBondContact OE2-CE 3.42Å; E238-K241 IonicContact OE2-NZ 2.68Å; E238-K241 PolarHBondContact OE2-NZ 3.03Å; E238-Q242 WeakPolarHBondContact O-CG 3.29Å; E238-Q242 PolarHBondContact O-N 3.08Å |
| 239 | L | 96.5 | Very high | 96.5 | Very high | 108 Ų | 108 | 103.2 Ų | 103.2 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -57.4 | -36.2 | 170.9 | -75.3 | 171.8 | 0 | 0 | 0 | 111.9 | Q235 Q242 K243 | Q235-L239 WeakPolarHBondContact O-CG 3.46Å; Q235-L239 PolarHBondContact O-N 3.31Å; L239-Q242 PolarHBondContact O-N 3.15Å; L239-K243 WeakPolarHBondContact O-CB 3.37Å; L239-K243 PolarHBondContact O-N 3.38Å |
| 240 | N | 97.1 | Very high | 96.6 | Very high | 87 Ų | 87 | 104.6 Ų | 104.6 | 47% | 0.465 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.1 | -35.2 | 177 | -162.5 | 40.9 | 0 | 0 | 0 | 112.4 | V236 S237 E238 K243 I244 | V236-N240 WeakPolarHBondContact O-CB 3.38Å; V236-N240 PolarHBondContact O-N 2.95Å; S237-N240 PolarHBondContact O-N 3.32Å; E238-N240 PolarHBondContact O-N 3.22Å; N240-K243 PolarHBondContact O-N 3.12Å; N240-I244 WeakPolarHBondContact O-CG1 3.5Å; N240-I244 PolarHBondContact O-N 3.41Å; N240-I244 VanDerWaalsContact O-N 3.08Å |
| 241 | K | 97.6 | Very high | 96.6 | Very high | 113 Ų | 113 | 102.1 Ų | 102.1 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 169.7 | -64.1 | 172.5 | -154.7 | 160.2 | 0 | 111 | S237 E238 K243 I244 T245 | S237-K241 WeakPolarHBondContact O-CG 3.46Å; S237-K241 PolarHBondContact O-N 3.33Å; S237-K241 VanDerWaalsContact O-N 3.1Å; E238-K241 WeakPolarHBondContact O-CB 3.14Å; E238-K241 PolarHBondContact O-N 2.97Å; E238-K241 VanDerWaalsContact O-N 3.11Å; E238-K241 WeakPolarHBondContact OE2-CD 3.43Å; E238-K241 WeakPolarHBondContact OE2-CE 3.42Å; E238-K241 IonicContact OE2-NZ 2.68Å; E238-K241 PolarHBondContact OE2-NZ 3.03Å; K241-K243 VanDerWaalsContact C-N 3.31Å; K241-K243 PolarHBondContact O-N 3.01Å; K241-I244 PolarHBondContact O-N 2.99Å; K241-I244 VanDerWaalsContact O-N 3.14Å; K241-T245 PolarHBondContact O-N 3.4Å; K241-T245 PolarHBondContact O-OG1 3.44Å |
| 242 | Q | 96.3 | Very high | 96.5 | Very high | 105 Ų | 105 | 104.4 Ų | 104.4 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.8 | -44.9 | 177.7 | -68.7 | 178.5 | 8.9 | 0 | 0 | 111.2 | E238 L239 I244 T245 F246 | E238-Q242 WeakPolarHBondContact O-CG 3.29Å; E238-Q242 PolarHBondContact O-N 3.08Å; L239-Q242 PolarHBondContact O-N 3.15Å; Q242-I244 PolarHBondContact O-N 2.94Å; Q242-T245 WeakPolarHBondContact CA-OG1 3.31Å; Q242-T245 PolarHBondContact O-N 2.91Å; Q242-T245 PolarHBondContact O-OG1 3.39Å; Q242-F246 WeakPolarHBondContact O-CB 3.4Å; Q242-F246 PolarHBondContact O-N 3.04Å |
| 243 | K | 97.3 | Very high | 96.4 | Very high | 137 Ų | 137 | 99.1 Ų | 99.1 | 60% | 0.596 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -55.8 | -46.2 | 174.1 | -178.1 | -174 | 174.3 | -173.8 | 0 | 112.5 | L239 N240 K241 F246 E247 | L239-K243 WeakPolarHBondContact O-CB 3.37Å; L239-K243 PolarHBondContact O-N 3.38Å; N240-K243 PolarHBondContact O-N 3.12Å; K241-K243 VanDerWaalsContact C-N 3.31Å; K241-K243 PolarHBondContact O-N 3.01Å; K243-F246 PolarHBondContact O-N 3.06Å; K243-E247 PolarHBondContact O-N 3.05Å |
| 244 | I | 96.9 | Very high | 96.3 | Very high | 89 Ų | 89 | 96.2 Ų | 96.2 | 46% | 0.456 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.2 | -49.6 | 177.7 | -67.2 | 162.6 | 0 | 0 | 0 | 110.2 | N240 K241 Q242 F246 E247 D248 | N240-I244 WeakPolarHBondContact O-CG1 3.5Å; N240-I244 PolarHBondContact O-N 3.41Å; N240-I244 VanDerWaalsContact O-N 3.08Å; K241-I244 PolarHBondContact O-N 2.99Å; K241-I244 VanDerWaalsContact O-N 3.14Å; Q242-I244 PolarHBondContact O-N 2.94Å; I244-F246 PolarHBondContact O-N 3.39Å; I244-E247 PolarHBondContact O-N 3.25Å; I244-E247 VanDerWaalsContact O-N 3.1Å; I244-D248 PolarHBondContact O-N 3.27Å |
| 245 | T | 95.8 | Very high | 96.2 | Very high | 91 Ų | 91 | 96.2 Ų | 96.2 | 56% | 0.558 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.8 | -29.7 | 179.2 | 59.2 | 0 | 0 | 0 | 0 | 113.6 | K241 Q242 S249 | K241-T245 PolarHBondContact O-N 3.4Å; K241-T245 PolarHBondContact O-OG1 3.44Å; Q242-T245 WeakPolarHBondContact CA-OG1 3.31Å; Q242-T245 PolarHBondContact O-N 2.91Å; Q242-T245 PolarHBondContact O-OG1 3.39Å; T245-S249 WeakPolarHBondContact O-CB 3.22Å; T245-S249 PolarHBondContact O-N 3.48Å; T245-S249 VanDerWaalsContact O-N 3.13Å |
| 246 | F | 95.3 | Very high | 96.2 | Very high | 142 Ų | 142 | 94.8 Ų | 94.8 | 62% | 0.623 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -72.1 | -42.3 | 173.8 | 179.8 | -94.3 | 0 | 0 | 0 | 111.8 | Q242 K243 I244 S249 K250 | Q242-F246 WeakPolarHBondContact O-CB 3.4Å; Q242-F246 PolarHBondContact O-N 3.04Å; K243-F246 PolarHBondContact O-N 3.06Å; I244-F246 PolarHBondContact O-N 3.39Å; F246-S249 WeakPolarHBondContact O-CB 3.48Å; F246-S249 PolarHBondContact O-N 2.99Å; F246-K250 WeakPolarHBondContact O-CB 3.48Å; F246-K250 PolarHBondContact O-N 2.75Å |
| 247 | E | 96.9 | Very high | 96 | Very high | 79 Ų | 79 | 95.5 Ų | 95.5 | 37% | 0.369 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 176.3 | -158.3 | 68.9 | -146.4 | 0 | 0 | 111.1 | K243 I244 S249 K250 V251 | K243-E247 PolarHBondContact O-N 3.05Å; I244-E247 PolarHBondContact O-N 3.25Å; I244-E247 VanDerWaalsContact O-N 3.1Å; E247-S249 VanDerWaalsContact C-N 3.34Å; E247-S249 PolarHBondContact O-N 2.95Å; E247-K250 WeakPolarHBondContact O-CB 3.47Å; E247-K250 PolarHBondContact O-N 2.88Å; E247-K250 IonicContact OE1-NZ 2.72Å; E247-K250 PolarHBondContact OE1-NZ 2.88Å; E247-V251 WeakPolarHBondContact O-CG2 3.26Å; E247-V251 PolarHBondContact O-N 3.4Å |
| 248 | D | 96.7 | Very high | 95.9 | Very high | 102 Ų | 102 | 97.3 Ų | 97.3 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 173.1 | -69.1 | -28.4 | 0 | 0 | 0 | 111.8 | I244 V251 H252 | I244-D248 PolarHBondContact O-N 3.27Å; D248-V251 PolarHBondContact O-N 3.07Å; D248-H252 WeakPolarHBondContact O-CB 3.5Å; D248-H252 PolarHBondContact O-N 3.17Å |
| 249 | S | 95.8 | Very high | 95.8 | Very high | 74 Ų | 74 | 95.4 Ų | 95.4 | 52% | 0.517 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 176 | -176.1 | 0 | 0 | 0 | 0 | 112.2 | T245 F246 E247 H252 A253 | T245-S249 WeakPolarHBondContact O-CB 3.22Å; T245-S249 PolarHBondContact O-N 3.48Å; T245-S249 VanDerWaalsContact O-N 3.13Å; F246-S249 WeakPolarHBondContact O-CB 3.48Å; F246-S249 PolarHBondContact O-N 2.99Å; E247-S249 VanDerWaalsContact C-N 3.34Å; E247-S249 PolarHBondContact O-N 2.95Å; S249-H252 PolarHBondContact O-N 3.05Å; S249-A253 WeakPolarHBondContact O-CB 3.27Å; S249-A253 PolarHBondContact O-N 3.09Å |
| 250 | K | 96 | Very high | 95.7 | Very high | 85 Ų | 85 | 96.3 Ų | 96.3 | 37% | 0.37 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -48.6 | 174.6 | 174.1 | -169.9 | 151.5 | -153.3 | 0 | 111.3 | F246 E247 H252 A253 E254 | F246-K250 WeakPolarHBondContact O-CB 3.48Å; F246-K250 PolarHBondContact O-N 2.75Å; E247-K250 WeakPolarHBondContact O-CB 3.47Å; E247-K250 PolarHBondContact O-N 2.88Å; E247-K250 IonicContact OE1-NZ 2.72Å; E247-K250 PolarHBondContact OE1-NZ 2.88Å; K250-H252 VanDerWaalsContact C-N 3.28Å; K250-H252 PolarHBondContact O-N 3.48Å; K250-A253 WeakPolarHBondContact O-CB 3.49Å; K250-A253 PolarHBondContact O-N 2.96Å; K250-A253 VanDerWaalsContact O-N 3.11Å; K250-E254 WeakPolarHBondContact CE-OE1 3.43Å; K250-E254 IonicContact NZ-OE1 2.9Å; K250-E254 WeakPolarHBondContact O-CG 3.48Å; K250-E254 PolarHBondContact O-N 3.48Å |
| 251 | V | 96.7 | Very high | 95.6 | Very high | 75 Ų | 75 | 98.6 Ų | 98.6 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.4 | -41.2 | 176.9 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | E247 D248 E254 Q255 | E247-V251 WeakPolarHBondContact O-CG2 3.26Å; E247-V251 PolarHBondContact O-N 3.4Å; D248-V251 PolarHBondContact O-N 3.07Å; V251-E254 PolarHBondContact O-N 3.45Å; V251-Q255 WeakPolarHBondContact O-CB 3.24Å; V251-Q255 PolarHBondContact O-N 2.93Å |
| 252 | H | 95.9 | Very high | 95.4 | Very high | 122 Ų | 122 | 97.1 Ų | 97.1 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62 | -43.9 | 173.9 | -177.3 | 62.1 | 0 | 0 | 0 | 112.4 | D248 S249 K250 Q255 V256 | D248-H252 WeakPolarHBondContact O-CB 3.5Å; D248-H252 PolarHBondContact O-N 3.17Å; S249-H252 PolarHBondContact O-N 3.05Å; K250-H252 VanDerWaalsContact C-N 3.28Å; K250-H252 PolarHBondContact O-N 3.48Å; H252-Q255 PolarHBondContact O-N 3.37Å; H252-V256 WeakPolarHBondContact O-CG2 3.45Å; H252-V256 PolarHBondContact O-N 2.62Å |
| 253 | A | 93.6 | Very high | 95.2 | Very high | 50 Ų | 50 | 97.6 Ų | 97.6 | 41% | 0.413 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S249 K250 Q255 V256 L257 | S249-A253 WeakPolarHBondContact O-CB 3.27Å; S249-A253 PolarHBondContact O-N 3.09Å; K250-A253 WeakPolarHBondContact O-CB 3.49Å; K250-A253 PolarHBondContact O-N 2.96Å; K250-A253 VanDerWaalsContact O-N 3.11Å; A253-Q255 VanDerWaalsContact C-N 3.31Å; A253-Q255 PolarHBondContact O-N 2.88Å; A253-V256 PolarHBondContact O-N 2.95Å; A253-L257 WeakPolarHBondContact O-CG 3.38Å; A253-L257 PolarHBondContact O-N 3.24Å |
| 254 | E | 94.8 | Very high | 94.9 | Very high | 101 Ų | 101 | 95.9 Ų | 95.9 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.6 | -41.2 | 173.1 | -74.1 | 176.4 | -177 | 0 | 0 | 111.4 | K250 V251 L257 N258 | K250-E254 WeakPolarHBondContact CE-OE1 3.43Å; K250-E254 IonicContact NZ-OE1 2.9Å; K250-E254 WeakPolarHBondContact O-CG 3.48Å; K250-E254 PolarHBondContact O-N 3.48Å; V251-E254 PolarHBondContact O-N 3.45Å; E254-L257 PolarHBondContact O-N 2.94Å; E254-N258 WeakPolarHBondContact O-CB 3.24Å; E254-N258 PolarHBondContact O-N 3.26Å |
| 255 | Q | 94.8 | Very high | 94.7 | Very high | 133 Ų | 133 | 97.6 Ų | 97.6 | 62% | 0.621 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.9 | -39.4 | 177.1 | -160.3 | 175.1 | 35.6 | 0 | 0 | 112.3 | V251 H252 A253 G259 | V251-Q255 WeakPolarHBondContact O-CB 3.24Å; V251-Q255 PolarHBondContact O-N 2.93Å; H252-Q255 PolarHBondContact O-N 3.37Å; A253-Q255 VanDerWaalsContact C-N 3.31Å; A253-Q255 PolarHBondContact O-N 2.88Å; Q255-G259 PolarHBondContact O-N 3.32Å |
| 256 | V | 95.9 | Very high | 94.6 | Very high | 65 Ų | 65 | 97.3 Ų | 97.3 | 39% | 0.394 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 172.8 | 169.8 | 0 | 0 | 0 | 0 | 111.6 | H252 A253 G259 K260 | H252-V256 WeakPolarHBondContact O-CG2 3.45Å; H252-V256 PolarHBondContact O-N 2.62Å; A253-V256 PolarHBondContact O-N 2.95Å; V256-G259 PolarHBondContact O-N 3.39Å; V256-K260 WeakPolarHBondContact O-CG 3.46Å; V256-K260 PolarHBondContact O-N 3.09Å |
| 257 | L | 93.9 | Very high | 94.3 | Very high | 107 Ų | 107 | 94.5 Ų | 94.5 | 56% | 0.56 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.3 | -46.8 | 176 | -74 | 170.9 | 0 | 0 | 0 | 111.5 | A253 E254 G259 K260 E261 | A253-L257 WeakPolarHBondContact O-CG 3.38Å; A253-L257 PolarHBondContact O-N 3.24Å; E254-L257 PolarHBondContact O-N 2.94Å; L257-G259 VanDerWaalsContact C-N 3.29Å; L257-G259 PolarHBondContact O-N 3.36Å; L257-K260 CarbonylContact O-C 3.56Å; L257-K260 WeakPolarHBondContact O-CA 3.22Å; L257-K260 WeakPolarHBondContact O-CB 3.47Å; L257-K260 PolarHBondContact O-N 2.84Å; L257-E261 PolarHBondContact O-N 3.2Å |
| 258 | N | 93.5 | Very high | 94 | Very high | 95 Ų | 95 | 94.6 Ų | 94.6 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.2 | -40.1 | 174.5 | -170.2 | -2.8 | 0 | 0 | 0 | 111.3 | E254 K260 E261 N262 | E254-N258 WeakPolarHBondContact O-CB 3.24Å; E254-N258 PolarHBondContact O-N 3.26Å; N258-K260 PolarHBondContact O-N 3.28Å; N258-E261 PolarHBondContact O-N 3.27Å; N258-N262 PolarHBondContact O-N 2.91Å; N258-N262 PolarHBondContact O-ND2 3.49Å; N258-N262 PolarHBondContact OD1-ND2 3.07Å |
| 259 | G | 95 | Very high | 93.6 | Very high | 44 Ų | 44 | 94.2 Ų | 94.2 | 45% | 0.454 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.2 | -44 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q255 V256 L257 H263 | Q255-G259 PolarHBondContact O-N 3.32Å; V256-G259 PolarHBondContact O-N 3.39Å; L257-G259 VanDerWaalsContact C-N 3.29Å; L257-G259 PolarHBondContact O-N 3.36Å; G259-H263 PolarHBondContact O-N 3.03Å; G259-H263 VanDerWaalsContact O-N 3.12Å |
| 260 | K | 94.6 | Very high | 93 | Very high | 126 Ų | 126 | 99.3 Ų | 99.3 | 55% | 0.548 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.7 | -39.7 | 174.8 | -70.8 | 176 | -179.7 | 179.1 | 0 | 112.4 | V256 L257 N258 H263 I264 | V256-K260 WeakPolarHBondContact O-CG 3.46Å; V256-K260 PolarHBondContact O-N 3.09Å; L257-K260 CarbonylContact O-C 3.56Å; L257-K260 WeakPolarHBondContact O-CA 3.22Å; L257-K260 WeakPolarHBondContact O-CB 3.47Å; L257-K260 PolarHBondContact O-N 2.84Å; N258-K260 PolarHBondContact O-N 3.28Å; K260-H263 WeakPolarHBondContact O-CB 3.49Å; K260-H263 PolarHBondContact O-N 3.17Å; K260-H263 VanDerWaalsContact O-N 3.17Å; K260-I264 WeakPolarHBondContact O-CG1 3.46Å; K260-I264 PolarHBondContact O-N 2.98Å |
| 261 | E | 93.7 | Very high | 92.5 | Very high | 136 Ų | 136 | 100.6 Ų | 100.6 | 64% | 0.636 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.6 | -42.2 | 178.6 | -176 | 137 | -144 | 0 | 0 | 111.8 | L257 N258 H263 I264 K265 | L257-E261 PolarHBondContact O-N 3.2Å; N258-E261 PolarHBondContact O-N 3.27Å; E261-H263 VanDerWaalsContact C-N 3.29Å; E261-H263 PolarHBondContact O-N 2.95Å; E261-I264 PolarHBondContact O-N 3.44Å; E261-K265 WeakPolarHBondContact O-CB 3.42Å; E261-K265 PolarHBondContact O-N 3.36Å |
| 262 | N | 93.4 | Very high | 91.8 | Very high | 81 Ų | 81 | 101.6 Ų | 101.6 | 43% | 0.433 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62 | -36.2 | 171 | -71.8 | -60.3 | 0 | 0 | 0 | 112.2 | N258 T266 | N258-N262 PolarHBondContact O-N 2.91Å; N258-N262 PolarHBondContact O-ND2 3.49Å; N258-N262 PolarHBondContact OD1-ND2 3.07Å; N262-T266 WeakPolarHBondContact O-CB 3.44Å; N262-T266 PolarHBondContact O-N 3.09Å; N262-T266 PolarHBondContact O-OG1 3.49Å |
| 263 | H | 92.7 | Very high | 91.1 | Very high | 115 Ų | 115 | 102.2 Ų | 102.2 | 53% | 0.532 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.9 | -44.8 | 173.9 | -172.8 | 64.9 | 0 | 0 | 0 | 112.3 | G259 K260 E261 K265 T266 L267 | G259-H263 PolarHBondContact O-N 3.03Å; G259-H263 VanDerWaalsContact O-N 3.12Å; K260-H263 WeakPolarHBondContact O-CB 3.49Å; K260-H263 PolarHBondContact O-N 3.17Å; K260-H263 VanDerWaalsContact O-N 3.17Å; E261-H263 VanDerWaalsContact C-N 3.29Å; E261-H263 PolarHBondContact O-N 2.95Å; H263-K265 VanDerWaalsContact C-N 3.35Å; H263-K265 PolarHBondContact O-N 3.24Å; H263-T266 PolarHBondContact O-N 3.3Å; H263-L267 WeakPolarHBondContact O-CG 3.16Å; H263-L267 PolarHBondContact O-N 2.92Å |
| 264 | I | 92.1 | Very high | 90.2 | Very high | 102 Ų | 102 | 105.5 Ų | 105.5 | 52% | 0.523 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.5 | -48.7 | 173.5 | -70.3 | 164.3 | 0 | 0 | 0 | 109.8 | K260 E261 T266 L267 T268 | K260-I264 WeakPolarHBondContact O-CG1 3.46Å; K260-I264 PolarHBondContact O-N 2.98Å; E261-I264 PolarHBondContact O-N 3.44Å; I264-T266 VanDerWaalsContact C-N 3.32Å; I264-T266 PolarHBondContact O-N 2.93Å; I264-L267 WeakPolarHBondContact O-CB 3.49Å; I264-L267 PolarHBondContact O-N 2.91Å; I264-L267 VanDerWaalsContact O-N 3.11Å; I264-T268 PolarHBondContact O-N 3.46Å; I264-T268 PolarHBondContact O-OG1 3.13Å |
| 265 | K | 92.2 | Very high | 89.2 | Confident | 124 Ų | 124 | 107.7 Ų | 107.7 | 54% | 0.539 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -56.6 | -44.6 | 176.9 | -172.8 | 177.2 | 178.2 | -179.3 | 0 | 112.1 | E261 H263 L267 T268 E269 | E261-K265 WeakPolarHBondContact O-CB 3.42Å; E261-K265 PolarHBondContact O-N 3.36Å; H263-K265 VanDerWaalsContact C-N 3.35Å; H263-K265 PolarHBondContact O-N 3.24Å; K265-L267 PolarHBondContact O-N 3.08Å; K265-T268 PolarHBondContact O-N 3.04Å; K265-E269 WeakPolarHBondContact O-CG 3.26Å; K265-E269 PolarHBondContact O-N 2.9Å |
| 266 | T | 93 | Very high | 88 | Confident | 85 Ų | 85 | 105.4 Ų | 105.4 | 52% | 0.521 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 176.5 | -50.6 | 0 | 0 | 0 | 0 | 112.2 | N262 H263 I264 R270 | N262-T266 WeakPolarHBondContact O-CB 3.44Å; N262-T266 PolarHBondContact O-N 3.09Å; N262-T266 PolarHBondContact O-OG1 3.49Å; H263-T266 PolarHBondContact O-N 3.3Å; I264-T266 VanDerWaalsContact C-N 3.32Å; I264-T266 PolarHBondContact O-N 2.93Å; T266-R270 WeakPolarHBondContact O-CB 3.47Å; T266-R270 PolarHBondContact O-N 3.23Å; T266-R270 VanDerWaalsContact O-N 3.08Å |
| 267 | L | 89.9 | Confident | 86.5 | Confident | 83 Ų | 83 | 107.8 Ų | 107.8 | 44% | 0.435 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.4 | -43.1 | 174.1 | -74.3 | 172.8 | 0 | 0 | 0 | 111.6 | H263 I264 K265 R270 L271 | H263-L267 WeakPolarHBondContact O-CG 3.16Å; H263-L267 PolarHBondContact O-N 2.92Å; I264-L267 WeakPolarHBondContact O-CB 3.49Å; I264-L267 PolarHBondContact O-N 2.91Å; I264-L267 VanDerWaalsContact O-N 3.11Å; K265-L267 PolarHBondContact O-N 3.08Å; L267-R270 PolarHBondContact O-N 3.35Å; L267-L271 WeakPolarHBondContact O-CB 3.32Å; L267-L271 PolarHBondContact O-N 3.44Å |
| 268 | T | 88.9 | Confident | 84.6 | Confident | 81 Ų | 81 | 104.2 Ų | 104.2 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 176 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | I264 K265 R270 L271 Q272 | I264-T268 PolarHBondContact O-N 3.46Å; I264-T268 PolarHBondContact O-OG1 3.13Å; K265-T268 PolarHBondContact O-N 3.04Å; T268-R270 VanDerWaalsContact C-N 3.29Å; T268-R270 PolarHBondContact O-N 3.42Å; T268-L271 PolarHBondContact O-N 2.93Å; T268-Q272 WeakPolarHBondContact O-CB 3.4Å; T268-Q272 PolarHBondContact O-N 2.99Å |
| 269 | E | 88.9 | Confident | 82.6 | Confident | 94 Ų | 94 | 102.7 Ų | 102.7 | 44% | 0.439 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -34.6 | 173.9 | -74 | 175.2 | -158.6 | 0 | 0 | 112.6 | K265 K273 | K265-E269 WeakPolarHBondContact O-CG 3.26Å; K265-E269 PolarHBondContact O-N 2.9Å; E269-K273 WeakPolarHBondContact O-CG 3.35Å; E269-K273 PolarHBondContact O-N 3.18Å; E269-K273 VanDerWaalsContact O-N 3.14Å |
| 270 | R | 84 | Confident | 80.4 | Confident | 181 Ų | 181 | 108 Ų | 108 | 68% | 0.683 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -73.3 | -37.4 | 175.1 | -171.7 | 175.6 | -177.5 | 165.6 | 0.9 | 112.4 | T266 L267 T268 M274 | T266-R270 WeakPolarHBondContact O-CB 3.47Å; T266-R270 PolarHBondContact O-N 3.23Å; T266-R270 VanDerWaalsContact O-N 3.08Å; L267-R270 PolarHBondContact O-N 3.35Å; T268-R270 VanDerWaalsContact C-N 3.29Å; T268-R270 PolarHBondContact O-N 3.42Å; R270-M274 PolarHBondContact O-N 3.45Å; R270-M274 VanDerWaalsContact O-N 3.14Å |
| 271 | L | 85 | Confident | 78.1 | Confident | 113 Ų | 113 | 109.5 Ų | 109.5 | 59% | 0.592 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.7 | -42.9 | 172.2 | -98 | 160 | 0 | 0 | 0 | 111.4 | L267 T268 M274 K275 | L267-L271 WeakPolarHBondContact O-CB 3.32Å; L267-L271 PolarHBondContact O-N 3.44Å; T268-L271 PolarHBondContact O-N 2.93Å; L271-M274 CarbonylContact O-C 3.59Å; L271-M274 WeakPolarHBondContact O-CA 3.23Å; L271-M274 WeakPolarHBondContact O-CB 3.41Å; L271-M274 PolarHBondContact O-N 3.37Å; L271-M274 VanDerWaalsContact O-N 3.11Å; L271-K275 PolarHBondContact O-N 3.07Å |
| 272 | Q | 82.7 | Confident | 75.7 | Confident | 95 Ų | 95 | 111.3 Ų | 111.3 | 44% | 0.444 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.4 | -50.5 | 176 | -173.2 | 62.4 | 47.5 | 0 | 0 | 110.7 | T268 M274 K275 D276 | T268-Q272 WeakPolarHBondContact O-CB 3.4Å; T268-Q272 PolarHBondContact O-N 2.99Å; Q272-M274 PolarHBondContact O-N 3.06Å; Q272-M274 VanDerWaalsContact O-N 3.15Å; Q272-K275 CarbonylContact O-C 3.52Å; Q272-K275 WeakPolarHBondContact O-CA 3.5Å; Q272-K275 WeakPolarHBondContact O-CB 3.41Å; Q272-K275 PolarHBondContact O-N 2.95Å; Q272-D276 PolarHBondContact NE2-OD1 3.49Å; Q272-D276 PolarHBondContact O-N 3.4Å |
| 273 | K | 81.2 | Confident | 73.2 | Confident | 135 Ų | 135 | 115.7 Ų | 115.7 | 59% | 0.587 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -57.4 | -30.8 | 174.6 | -71.6 | 166.9 | -176.4 | 168.9 | 0 | 113.5 | E269 L277 | E269-K273 WeakPolarHBondContact O-CG 3.35Å; E269-K273 PolarHBondContact O-N 3.18Å; E269-K273 VanDerWaalsContact O-N 3.14Å; K273-L277 WeakPolarHBondContact O-CG 3.46Å; K273-L277 PolarHBondContact O-N 2.85Å |
| 274 | M | 73.2 | Confident | 70.6 | Confident | 120 Ų | 120 | 117.2 Ų | 117.2 | 59% | 0.591 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -76.1 | -34.3 | 175.3 | -161.5 | -175.3 | -51.9 | 0 | 0 | 112.2 | R270 L271 Q272 L277 G278 | R270-M274 PolarHBondContact O-N 3.45Å; R270-M274 VanDerWaalsContact O-N 3.14Å; L271-M274 CarbonylContact O-C 3.59Å; L271-M274 WeakPolarHBondContact O-CA 3.23Å; L271-M274 WeakPolarHBondContact O-CB 3.41Å; L271-M274 PolarHBondContact O-N 3.37Å; L271-M274 VanDerWaalsContact O-N 3.11Å; Q272-M274 PolarHBondContact O-N 3.06Å; Q272-M274 VanDerWaalsContact O-N 3.15Å; M274-L277 PolarHBondContact O-N 3.35Å; M274-G278 PolarHBondContact O-N 3.31Å; M274-G278 VanDerWaalsContact O-N 3.1Å |
| 275 | K | 73.8 | Confident | 68.3 | Low | 147 Ų | 147 | 120 Ų | 120 | 64% | 0.639 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.6 | -39.6 | 172 | -174 | -177.1 | 177.1 | -176.1 | 0 | 111.7 | L271 Q272 L277 G278 A279 | L271-K275 PolarHBondContact O-N 3.07Å; Q272-K275 CarbonylContact O-C 3.52Å; Q272-K275 WeakPolarHBondContact O-CA 3.5Å; Q272-K275 WeakPolarHBondContact O-CB 3.41Å; Q272-K275 PolarHBondContact O-N 2.95Å; K275-L277 VanDerWaalsContact C-N 3.28Å; K275-L277 PolarHBondContact O-N 3.32Å; K275-G278 CarbonylContact O-C 3.57Å; K275-G278 WeakPolarHBondContact O-CA 3.4Å; K275-G278 PolarHBondContact O-N 3.31Å; K275-A279 PolarHBondContact O-N 2.95Å |
| 276 | D | 69.8 | Low | 65.9 | Low | 84 Ų | 84 | 120.7 Ų | 120.7 | 45% | 0.449 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -65.2 | -34 | 176.9 | -53.6 | -27.5 | 0 | 0 | 0 | 110.9 | Q272 G278 A279 M280 | Q272-D276 PolarHBondContact NE2-OD1 3.49Å; Q272-D276 PolarHBondContact O-N 3.4Å; D276-G278 VanDerWaalsContact C-N 3.34Å; D276-A279 PolarHBondContact O-N 3.1Å; D276-M280 PolarHBondContact O-N 3.02Å; D276-M280 VanDerWaalsContact O-N 3.1Å |
| 277 | L | 65.6 | Low | 63 | Low | 116 Ų | 116 | 124.2 Ų | 124.2 | 61% | 0.607 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.8 | -28.7 | 168 | -74 | 167.7 | 0 | 0 | 0 | 113.4 | K273 M274 K275 L281 | K273-L277 WeakPolarHBondContact O-CG 3.46Å; K273-L277 PolarHBondContact O-N 2.85Å; M274-L277 PolarHBondContact O-N 3.35Å; K275-L277 VanDerWaalsContact C-N 3.28Å; K275-L277 PolarHBondContact O-N 3.32Å; L277-L281 PolarHBondContact O-N 2.96Å |
| 278 | G | 53.3 | Low | 60.3 | Low | 31 Ų | 31 | 127 Ų | 127 | 32% | 0.32 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -69 | -43.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M274 K275 D276 M280 L281 E282 | M274-G278 PolarHBondContact O-N 3.31Å; M274-G278 VanDerWaalsContact O-N 3.1Å; K275-G278 CarbonylContact O-C 3.57Å; K275-G278 WeakPolarHBondContact O-CA 3.4Å; K275-G278 PolarHBondContact O-N 3.31Å; D276-G278 VanDerWaalsContact C-N 3.34Å; G278-M280 PolarHBondContact O-N 2.86Å; G278-L281 CarbonylContact O-C 3.55Å; G278-L281 WeakPolarHBondContact O-CA 3.34Å; G278-L281 WeakPolarHBondContact O-CB 3.43Å; G278-L281 PolarHBondContact O-N 2.95Å; G278-E282 PolarHBondContact O-N 3.45Å |
| 279 | A | 52 | Low | 57.9 | Low | 63 Ų | 63 | 126.6 Ų | 126.6 | 52% | 0.521 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -63.1 | -30.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K275 D276 L281 E282 | K275-A279 PolarHBondContact O-N 2.95Å; D276-A279 PolarHBondContact O-N 3.1Å; A279-L281 PolarHBondContact O-N 3.1Å; A279-E282 PolarHBondContact O-N 2.88Å |
| 280 | M | 48.3 | Very low | 55.7 | Low | 155 Ų | 155 | 128.6 Ų | 128.6 | 76% | 0.764 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -4.2 | 172 | -164.3 | 175.3 | 172.1 | 0 | 0 | 113.8 | D276 G278 | D276-M280 PolarHBondContact O-N 3.02Å; D276-M280 VanDerWaalsContact O-N 3.1Å; G278-M280 PolarHBondContact O-N 2.86Å |
| 281 | L | 46.6 | Very low | 53.7 | Low | 158 Ų | 158 | 127.9 Ų | 127.9 | 83% | 0.827 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | -8.9 | 172.7 | -164.5 | 67.6 | 0 | 0 | 0 | 112.2 | L277 G278 A279 | L277-L281 PolarHBondContact O-N 2.96Å; G278-L281 CarbonylContact O-C 3.55Å; G278-L281 WeakPolarHBondContact O-CA 3.34Å; G278-L281 WeakPolarHBondContact O-CB 3.43Å; G278-L281 PolarHBondContact O-N 2.95Å; A279-L281 PolarHBondContact O-N 3.1Å |
| 282 | E | 42.3 | Very low | 51.2 | Low | 174 Ų | 174 | 130.6 Ų | 130.6 | 81% | 0.813 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -110.9 | 39.7 | 179.6 | -160.2 | 166.6 | -170.1 | 0 | 0 | 110.6 | G278 A279 | G278-E282 PolarHBondContact O-N 3.45Å; A279-E282 PolarHBondContact O-N 2.88Å |
| 283 | E | 40.9 | Very low | 48.9 | Very low | 173 Ų | 173 | 134.7 Ų | 134.7 | 81% | 0.808 | 71% | 0.71 | S | S | * | * | trans | -120.8 | 50.1 | 171.5 | -161.7 | 172.7 | -145.6 | 0 | 0 | 110.4 | ||||
| 284 | D | 39.7 | Very low | 46.5 | Very low | 148 Ų | 148 | 135.7 Ų | 135.7 | 79% | 0.791 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -155.3 | 84.8 | 157.1 | -143.4 | 2.2 | 0 | 0 | 0 | 110.7 | ||
| 285 | I | 43.3 | Very low | 44.4 | Very low | 161 Ų | 161 | 137.2 Ų | 137.2 | 83% | 0.826 | 73% | 0.725 | S | S | * | * | trans | 176 | 91.6 | 140.2 | -83 | 150.1 | 0 | 0 | 0 | 105.5 | ||||
| 286 | T | 40.7 | Very low | 42.1 | Very low | 138 Ų | 138 | 136 Ų | 136 | 85% | 0.847 | 73% | 0.725 | S | S | * | * | trans | -68.2 | 132.1 | 154.2 | 49.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 287 | D | 32.7 | Very low | 40.2 | Very low | 158 Ų | 158 | 137.1 Ų | 137.1 | 85% | 0.845 | 74% | 0.74 | S | S | * | * | trans | -148.5 | 136.6 | 136.6 | -149.5 | 6.7 | 0 | 0 | 0 | 112.1 | ||||
| 288 | D | 32.8 | Very low | 38.5 | Very low | 143 Ų | 143 | 141 Ų | 141 | 77% | 0.765 | 76% | 0.755 | S | S | * | * | trans | -93.4 | 140.4 | 179.2 | 177.6 | 19 | 0 | 0 | 0 | 108.8 | ||||
| 289 | G | 40 | Very low | 37.5 | Very low | 71 Ų | 71 | 145.4 Ų | 145.4 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | trans | -151.1 | 24.5 | -161.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L291 | G289-L291 PolarHBondContact O-N 3.32Š| ||
| 290 | N | 42.8 | Very low | 36.4 | Very low | 136 Ų | 136 | 151 Ų | 151 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -69.1 | 108.4 | 170.1 | 176.9 | 45.7 | 0 | 0 | 0 | 110.9 | ||||
| 291 | L | 40.7 | Very low | 35.6 | Very low | 166 Ų | 166 | 151.6 Ų | 151.6 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | -140.8 | 113.2 | 165.8 | -98.6 | 174 | 0 | 0 | 0 | 112.4 | G289 | G289-L291 PolarHBondContact O-N 3.32Š| ||
| 292 | E | 33.7 | Very low | 34.9 | Very low | 170 Ų | 170 | 147.2 Ų | 147.2 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -58.4 | 145 | 159.9 | -59.6 | 167.2 | 133.7 | 0 | 0 | 110 | ||||
| 293 | F | 32.7 | Very low | 34.4 | Very low | 181 Ų | 181 | 143.1 Ų | 143.1 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -135.1 | 80.1 | 163.3 | -158.1 | -95 | 0 | 0 | 0 | 111.2 | M295 | F293-M295 HydrophobicContact CD1-CB 4.32Å; F293-M295 HydrophobicContact CE1-CB 3.72Å; F293-M295 HydrophobicContact CE1-SD 4.07Å; F293-M295 HydrophobicContact CZ-CB 4.37Å; F293-M295 HydrophobicContact CZ-SD 3.94Å | ||
| 294 | E | 31.3 | Very low | 34.3 | Very low | 156 Ų | 156 | 142 Ų | 142 | 73% | 0.729 | 79% | 0.791 | S | S | * | * | trans | -69.7 | 129.3 | 160.8 | -177.5 | -175.8 | -168.9 | 0 | 0 | 109.4 | N296 | E294-N296 PolarHBondContact OE1-ND2 2.93Š| ||
| 295 | M | 28.9 | Very low | 34 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | trans | -149.5 | 96 | 160.2 | -161.4 | 154.5 | -179.3 | 0 | 0 | 112.7 | F293 | F293-M295 HydrophobicContact CD1-CB 4.32Å; F293-M295 HydrophobicContact CE1-CB 3.72Å; F293-M295 HydrophobicContact CE1-SD 4.07Å; F293-M295 HydrophobicContact CZ-CB 4.37Å; F293-M295 HydrophobicContact CZ-SD 3.94Å | ||
| 296 | N | 26.2 | Very low | 33.9 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 64% | 0.642 | 79% | 0.793 | S | S | * | * | trans | -61.1 | 147.8 | 164.7 | -60.6 | -65.6 | 0 | 0 | 0 | 111.2 | E294 | E294-N296 PolarHBondContact OE1-ND2 2.93Š| ||
| 297 | S | 30.2 | Very low | 34.1 | Very low | 109 Ų | 109 | 141 Ų | 141 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | 172.6 | 118.4 | 125.5 | 56.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 298 | E | 29 | Very low | 35.1 | Very low | 197 Ų | 197 | 138.4 Ų | 138.4 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | trans | -71.5 | 141.3 | 144.2 | -59.1 | 175.8 | 131 | 0 | 0 | 108.4 | ||||
| 299 | S | 33.3 | Very low | 36.3 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -166.4 | 150.7 | 154.8 | -167 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 300 | E | 29 | Very low | 36.9 | Very low | 180 Ų | 180 | 139.6 Ų | 139.6 | 84% | 0.841 | 76% | 0.759 | S | S | * | * | trans | -75.2 | 159.9 | -173.8 | -81.7 | 173.9 | 107 | 0 | 0 | 117.8 | ||||
| 301 | D | 30.2 | Very low | 37.5 | Very low | 169 Ų | 169 | 142.4 Ų | 142.4 | 90% | 0.904 | 76% | 0.76 | S | S | * | * | trans | 65.9 | 157.6 | 139.4 | -159.2 | 34.4 | 0 | 0 | 0 | 122.1 | ||||
| 302 | G | 31.7 | Very low | 38.4 | Very low | 66 Ų | 66 | 137.1 Ų | 137.1 | 68% | 0.68 | 74% | 0.74 | S | S | * | * | trans | 134.3 | 115.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 303 | A | 33.1 | Very low | 40.1 | Very low | 87 Ų | 87 | 134 Ų | 134 | 72% | 0.719 | 73% | 0.728 | S | S | * | * | trans | -93.4 | 156.4 | -167.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 304 | N | 37.3 | Very low | 41.7 | Very low | 151 Ų | 151 | 132.5 Ų | 132.5 | 81% | 0.807 | 72% | 0.722 | S | S | * | * | trans | 53 | 111.5 | 150.8 | -63.9 | -24.3 | 0 | 0 | 0 | 121.5 | ||||
| 305 | L | 35.3 | Very low | 43.7 | Very low | 173 Ų | 173 | 132.3 Ų | 132.3 | 91% | 0.906 | 72% | 0.718 | S | S | * | * | -165.5 | 151.8 | 111.1 | -103.2 | 157.9 | 0 | 0 | 0 | 111.4 | |||||
| 306 | D | 41.3 | Very low | 45.8 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 77% | 0.765 | 71% | 0.712 | S | S | * | * | trans | -75.9 | 136.7 | -157.9 | -71.3 | -69.6 | 0 | 0 | 0 | 116.9 | ||||
| 307 | N | 44 | Very low | 48.1 | Very low | 108 Ų | 108 | 129 Ų | 129 | 58% | 0.578 | 70% | 0.702 | S | S | * | * | trans | -160.7 | 102.7 | 147.1 | -133.7 | -55.1 | 0 | 0 | 0 | 112.3 | P309 | N307-P309 WeakPolarHBondContact OD1-CD 3.44Š| ||
| 308 | P | 54.6 | Low | 50.2 | Low | 104 Ų | 104 | 132.9 Ų | 132.9 | 68% | 0.675 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -60.9 | -39.6 | -172 | 17.3 | -25.9 | 0 | 0 | 0 | 117.2 | K310 R311 A312 | P308-K310 PolarHBondContact O-N 3.43Å; P308-R311 PolarHBondContact O-N 3.02Å; P308-A312 PolarHBondContact O-N 3.27Å |
| 309 | P | 57.7 | Low | 52.4 | Low | 85 Ų | 85 | 126 Ų | 126 | 55% | 0.552 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -69.7 | -31.7 | -175 | 26.7 | -34.7 | 0 | 0 | 0 | 113.1 | N307 R311 A312 L313 | N307-P309 WeakPolarHBondContact OD1-CD 3.44Å; P309-R311 VanDerWaalsContact C-N 3.3Å; P309-R311 PolarHBondContact O-N 3.34Å; P309-A312 PolarHBondContact O-N 3.5Å; P309-L313 WeakPolarHBondContact O-CB 3.32Å; P309-L313 PolarHBondContact O-N 3.37Å |
| 310 | K | 52.3 | Low | 54.6 | Low | 154 Ų | 154 | 122.5 Ų | 122.5 | 67% | 0.67 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -67.2 | -28.5 | 177.9 | -98.4 | 178.3 | 175.8 | 174.3 | 0 | 112.8 | P308 K314 | P308-K310 PolarHBondContact O-N 3.43Å; K310-K314 WeakPolarHBondContact O-CB 3.22Å; K310-K314 WeakPolarHBondContact O-CG 3.34Å; K310-K314 PolarHBondContact O-N 3.37Å; K310-K314 VanDerWaalsContact O-N 3.11Å |
| 311 | R | 55.1 | Low | 57 | Low | 195 Ų | 195 | 120.9 Ų | 120.9 | 74% | 0.736 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -76.6 | -38.7 | 178.2 | -148.4 | 177.2 | -160.5 | 169.5 | 6.2 | 111.5 | P308 P309 K315 | P308-R311 PolarHBondContact O-N 3.02Å; P309-R311 VanDerWaalsContact C-N 3.3Å; P309-R311 PolarHBondContact O-N 3.34Å; R311-K315 WeakPolarHBondContact O-CG 3.48Å; R311-K315 PolarHBondContact O-N 3.47Å; R311-K315 VanDerWaalsContact O-N 3.15Å |
| 312 | A | 59.6 | Low | 59.5 | Low | 55 Ų | 55 | 118.5 Ų | 118.5 | 46% | 0.455 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -64.8 | -46.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | P308 P309 K314 K315 L316 | P308-A312 PolarHBondContact O-N 3.27Å; P309-A312 PolarHBondContact O-N 3.5Å; A312-K314 PolarHBondContact O-N 2.91Å; A312-K315 PolarHBondContact O-N 3.16Å; A312-K315 VanDerWaalsContact O-N 3.17Å; A312-L316 PolarHBondContact O-N 2.99Å |
| 313 | L | 68.3 | Low | 61.9 | Low | 104 Ų | 104 | 119.9 Ų | 119.9 | 55% | 0.545 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -61.8 | -43.3 | 178.1 | -172.6 | 66.2 | 0 | 0 | 0 | 112.5 | P309 K315 L316 I317 | P309-L313 WeakPolarHBondContact O-CB 3.32Å; P309-L313 PolarHBondContact O-N 3.37Å; L313-K315 VanDerWaalsContact C-N 3.32Å; L313-K315 PolarHBondContact O-N 2.82Å; L313-L316 PolarHBondContact O-N 3.24Å; L313-I317 HydrophobicContact CD1-CD1 4.32Å; L313-I317 HydrophobicContact CG-CD1 3.93Å; L313-I317 WeakPolarHBondContact O-CG1 3.42Å; L313-I317 PolarHBondContact O-N 2.86Å |
| 314 | K | 67.5 | Low | 64.2 | Low | 151 Ų | 151 | 120.5 Ų | 120.5 | 66% | 0.657 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.8 | -33.8 | 174.8 | -77.6 | -176.5 | 176.2 | -172.1 | 0 | 113 | K310 A312 R318 | K310-K314 WeakPolarHBondContact O-CB 3.22Å; K310-K314 WeakPolarHBondContact O-CG 3.34Å; K310-K314 PolarHBondContact O-N 3.37Å; K310-K314 VanDerWaalsContact O-N 3.11Å; A312-K314 PolarHBondContact O-N 2.91Å; K314-R318 WeakPolarHBondContact O-CG 3.31Å; K314-R318 PolarHBondContact O-N 2.71Å; K314-R318 VanDerWaalsContact O-N 3.13Å |
| 315 | K | 72.8 | Confident | 66.3 | Low | 151 Ų | 151 | 116.1 Ų | 116.1 | 66% | 0.657 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.2 | -43.5 | 172.7 | -76 | -178.4 | 176.4 | -169.6 | 0 | 111.7 | R311 A312 L313 R318 A319 | R311-K315 WeakPolarHBondContact O-CG 3.48Å; R311-K315 PolarHBondContact O-N 3.47Å; R311-K315 VanDerWaalsContact O-N 3.15Å; A312-K315 PolarHBondContact O-N 3.16Å; A312-K315 VanDerWaalsContact O-N 3.17Å; L313-K315 VanDerWaalsContact C-N 3.32Å; L313-K315 PolarHBondContact O-N 2.82Å; K315-R318 PolarHBondContact O-N 2.99Å; K315-A319 VanDerWaalsContact O-CB 3.31Å; K315-A319 WeakPolarHBondContact O-CB 3.2Å; K315-A319 PolarHBondContact O-N 2.94Å |
| 316 | L | 72.4 | Confident | 68.6 | Low | 119 Ų | 119 | 112.6 Ų | 112.6 | 62% | 0.623 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.3 | -42.2 | 175.6 | -94.5 | 162.2 | 0 | 0 | 0 | 112.6 | A312 L313 A319 A320 | A312-L316 PolarHBondContact O-N 2.99Å; L313-L316 PolarHBondContact O-N 3.24Å; L316-A319 PolarHBondContact O-N 2.8Å; L316-A320 VanDerWaalsContact O-CB 3.31Å; L316-A320 WeakPolarHBondContact O-CB 3.23Å; L316-A320 PolarHBondContact O-N 2.84Å |
| 317 | I | 75.8 | Confident | 70.6 | Confident | 84 Ų | 84 | 109.5 Ų | 109.5 | 43% | 0.431 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.5 | -40.1 | 176.1 | -68.3 | 166.1 | 0 | 0 | 0 | 111.2 | L313 K321 | L313-I317 HydrophobicContact CD1-CD1 4.32Å; L313-I317 HydrophobicContact CG-CD1 3.93Å; L313-I317 WeakPolarHBondContact O-CG1 3.42Å; L313-I317 PolarHBondContact O-N 2.86Å; I317-K321 WeakPolarHBondContact O-CB 3.3Å; I317-K321 WeakPolarHBondContact O-CG 3.48Å; I317-K321 PolarHBondContact O-N 3.15Å |
| 318 | R | 73.8 | Confident | 72.6 | Confident | 191 Ų | 191 | 108.4 Ų | 108.4 | 72% | 0.721 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.1 | -41.3 | 173.1 | -77.1 | -177.4 | 176.2 | -176.3 | -2.5 | 111.8 | K314 K315 L322 | K314-R318 WeakPolarHBondContact O-CG 3.31Å; K314-R318 PolarHBondContact O-N 2.71Å; K314-R318 VanDerWaalsContact O-N 3.13Å; K315-R318 PolarHBondContact O-N 2.99Å; R318-L322 WeakPolarHBondContact O-CB 3.33Å; R318-L322 VanDerWaalsContact O-CG 3.23Å; R318-L322 WeakPolarHBondContact O-CG 3.5Å; R318-L322 PolarHBondContact O-N 2.95Å |
| 319 | A | 76.1 | Confident | 74.1 | Confident | 53 Ų | 53 | 108.5 Ų | 108.5 | 44% | 0.438 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.2 | -42.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K315 L316 L322 N323 | K315-A319 VanDerWaalsContact O-CB 3.31Å; K315-A319 WeakPolarHBondContact O-CB 3.2Å; K315-A319 PolarHBondContact O-N 2.94Å; L316-A319 PolarHBondContact O-N 2.8Å; A319-L322 PolarHBondContact O-N 3.4Å; A319-N323 WeakPolarHBondContact O-CB 3.45Å; A319-N323 PolarHBondContact O-N 3.48Å |
| 320 | A | 78.5 | Confident | 75.5 | Confident | 49 Ų | 49 | 108.2 Ų | 108.2 | 41% | 0.405 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.2 | -52 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L316 L322 N323 D324 | L316-A320 VanDerWaalsContact O-CB 3.31Å; L316-A320 WeakPolarHBondContact O-CB 3.23Å; L316-A320 PolarHBondContact O-N 2.84Å; A320-L322 VanDerWaalsContact C-N 3.27Å; A320-L322 PolarHBondContact O-N 2.94Å; A320-N323 CarbonylContact O-C 3.6Å; A320-N323 WeakPolarHBondContact O-CA 3.43Å; A320-N323 WeakPolarHBondContact O-CB 3.49Å; A320-N323 PolarHBondContact O-N 3.29Å; A320-D324 PolarHBondContact O-N 3.21Å |
| 321 | K | 80.3 | Confident | 77.1 | Confident | 147 Ų | 147 | 102.7 Ų | 102.7 | 64% | 0.639 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -57 | -39.4 | 175 | -74.8 | -171.5 | 174 | -158 | 0 | 113.1 | I317 N323 D324 S325 | I317-K321 WeakPolarHBondContact O-CB 3.3Å; I317-K321 WeakPolarHBondContact O-CG 3.48Å; I317-K321 PolarHBondContact O-N 3.15Å; K321-N323 VanDerWaalsContact C-N 3.35Å; K321-D324 PolarHBondContact O-N 3.04Å; K321-S325 PolarHBondContact O-N 3.05Å; K321-S325 PolarHBondContact O-OG 3.37Å |
| 322 | L | 81.4 | Confident | 78.7 | Confident | 119 Ų | 119 | 99 Ų | 99 | 62% | 0.623 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.8 | -36.7 | 175 | -75.5 | 169.7 | 0 | 0 | 0 | 111.8 | R318 A319 A320 S325 L326 | R318-L322 WeakPolarHBondContact O-CB 3.33Å; R318-L322 VanDerWaalsContact O-CG 3.23Å; R318-L322 WeakPolarHBondContact O-CG 3.5Å; R318-L322 PolarHBondContact O-N 2.95Å; A319-L322 PolarHBondContact O-N 3.4Å; A320-L322 VanDerWaalsContact C-N 3.27Å; A320-L322 PolarHBondContact O-N 2.94Å; L322-S325 WeakPolarHBondContact CA-OG 3.31Å; L322-S325 PolarHBondContact O-N 2.89Å; L322-S325 PolarHBondContact O-OG 3.44Å; L322-L326 VanDerWaalsContact O-CB 3.25Å; L322-L326 WeakPolarHBondContact O-CB 3.42Å; L322-L326 PolarHBondContact O-N 3.29Å |
| 323 | N | 81.9 | Confident | 80.2 | Confident | 95 Ų | 95 | 102.4 Ų | 102.4 | 51% | 0.508 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.1 | -36.5 | 176.8 | -147.6 | 48.8 | 0 | 0 | 0 | 111.9 | A319 A320 K321 L326 T327 | A319-N323 WeakPolarHBondContact O-CB 3.45Å; A319-N323 PolarHBondContact O-N 3.48Å; A320-N323 CarbonylContact O-C 3.6Å; A320-N323 WeakPolarHBondContact O-CA 3.43Å; A320-N323 WeakPolarHBondContact O-CB 3.49Å; A320-N323 PolarHBondContact O-N 3.29Å; K321-N323 VanDerWaalsContact C-N 3.35Å; N323-L326 PolarHBondContact O-N 3.38Å; N323-T327 WeakPolarHBondContact O-CG2 3.38Å; N323-T327 PolarHBondContact O-N 3.03Å; N323-T327 PolarHBondContact O-OG1 3.36Å |
| 324 | D | 81.6 | Confident | 81.2 | Confident | 99 Ų | 99 | 101 Ų | 101 | 53% | 0.529 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.8 | -46.4 | 172.5 | -59.3 | -27.2 | 0 | 0 | 0 | 109.6 | A320 K321 L326 T327 T328 | A320-D324 PolarHBondContact O-N 3.21Å; K321-D324 PolarHBondContact O-N 3.04Å; D324-L326 VanDerWaalsContact C-N 3.32Å; D324-L326 PolarHBondContact O-N 2.9Å; D324-T327 PolarHBondContact O-N 3.43Å; D324-T327 PolarHBondContact O-OG1 2.87Å; D324-T328 PolarHBondContact O-N 3.26Å; D324-T328 PolarHBondContact O-OG1 3.47Å |
| 325 | S | 81.3 | Confident | 82.4 | Confident | 59 Ų | 59 | 98.5 Ų | 98.5 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.7 | -29.4 | 173.9 | 62 | 0 | 0 | 0 | 0 | 114 | K321 L322 T328 L329 | K321-S325 PolarHBondContact O-N 3.05Å; K321-S325 PolarHBondContact O-OG 3.37Å; L322-S325 WeakPolarHBondContact CA-OG 3.31Å; L322-S325 PolarHBondContact O-N 2.89Å; L322-S325 PolarHBondContact O-OG 3.44Å; S325-T328 WeakPolarHBondContact CA-OG1 3.48Å; S325-T328 PolarHBondContact O-OG1 3.13Å; S325-T328 VanDerWaalsContact O-OG1 3.06Å; S325-L329 WeakPolarHBondContact O-CB 3.09Å; S325-L329 PolarHBondContact O-N 3.28Å; S325-L329 VanDerWaalsContact O-N 3.11Å |
| 326 | L | 85 | Confident | 83.3 | Confident | 99 Ų | 99 | 96.5 Ų | 96.5 | 52% | 0.518 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -71.5 | -41.9 | 176.5 | -168.9 | 83.7 | 0 | 0 | 0 | 110.6 | L322 N323 D324 L329 E330 | L322-L326 VanDerWaalsContact O-CB 3.25Å; L322-L326 WeakPolarHBondContact O-CB 3.42Å; L322-L326 PolarHBondContact O-N 3.29Å; N323-L326 PolarHBondContact O-N 3.38Å; D324-L326 VanDerWaalsContact C-N 3.32Å; D324-L326 PolarHBondContact O-N 2.9Å; L326-L329 PolarHBondContact O-N 3.21Å; L326-E330 WeakPolarHBondContact O-CB 3.38Å; L326-E330 PolarHBondContact O-N 3.35Å |
| 327 | T | 83.1 | Confident | 84.1 | Confident | 79 Ų | 79 | 99.2 Ų | 99.2 | 49% | 0.485 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72.9 | -34 | -179.8 | 51.4 | 0 | 0 | 0 | 0 | 112.5 | N323 D324 G331 | N323-T327 WeakPolarHBondContact O-CG2 3.38Å; N323-T327 PolarHBondContact O-N 3.03Å; N323-T327 PolarHBondContact O-OG1 3.36Å; D324-T327 PolarHBondContact O-N 3.43Å; D324-T327 PolarHBondContact O-OG1 2.87Å; T327-G331 PolarHBondContact O-N 2.91Å |
| 328 | T | 84.8 | Confident | 84.9 | Confident | 84 Ų | 84 | 99.4 Ų | 99.4 | 52% | 0.515 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.6 | -46.4 | 169.7 | 52.9 | 0 | 0 | 0 | 0 | 111.9 | D324 S325 E330 G331 E332 | D324-T328 PolarHBondContact O-N 3.26Å; D324-T328 PolarHBondContact O-OG1 3.47Å; S325-T328 WeakPolarHBondContact CA-OG1 3.48Å; S325-T328 PolarHBondContact O-OG1 3.13Å; S325-T328 VanDerWaalsContact O-OG1 3.06Å; T328-E330 VanDerWaalsContact C-N 3.31Å; T328-E330 PolarHBondContact O-N 3.27Å; T328-G331 WeakPolarHBondContact O-CA 3.26Å; T328-G331 PolarHBondContact O-N 2.91Å; T328-E332 PolarHBondContact O-N 2.96Å |
| 329 | L | 87.5 | Confident | 85.8 | Confident | 107 Ų | 107 | 94.5 Ų | 94.5 | 56% | 0.56 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.8 | -30.3 | 178.5 | -171.8 | 146.7 | 0 | 0 | 0 | 112.4 | S325 L326 R333 | S325-L329 WeakPolarHBondContact O-CB 3.09Å; S325-L329 PolarHBondContact O-N 3.28Å; S325-L329 VanDerWaalsContact O-N 3.11Å; L326-L329 PolarHBondContact O-N 3.21Å; L329-R333 VanDerWaalsContact O-CB 3.32Å; L329-R333 WeakPolarHBondContact O-CB 3.42Å; L329-R333 PolarHBondContact O-N 3Å |
| 330 | E | 85.4 | Confident | 86.6 | Confident | 79 Ų | 79 | 97.2 Ų | 97.2 | 37% | 0.369 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68 | -36.4 | 169.6 | 175.4 | 138.5 | -121 | 0 | 0 | 111.9 | L326 T328 R333 N334 | L326-E330 WeakPolarHBondContact O-CB 3.38Å; L326-E330 PolarHBondContact O-N 3.35Å; T328-E330 VanDerWaalsContact C-N 3.31Å; T328-E330 PolarHBondContact O-N 3.27Å; E330-R333 IonicContact OE1-CZ 2.65Å; E330-R333 IonicContact OE1-NH1 3.45Å; E330-R333 PolarHBondContact OE1-NH1 2.99Å; E330-R333 IonicContact OE1-NH2 2.74Å; E330-R333 PolarHBondContact OE1-NH2 3.04Å; E330-N334 PolarHBondContact O-N 2.65Å; E330-N334 VanDerWaalsContact O-N 3.12Å; E330-N334 PolarHBondContact O-ND2 3.11Å; E330-N334 VanDerWaalsContact O-ND2 3.17Å; E330-N334 PolarHBondContact O-OD1 3.26Å |
| 331 | G | 87.3 | Confident | 87.3 | Confident | 37 Ų | 37 | 97.8 Ų | 97.8 | 38% | 0.381 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.9 | -52.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T327 T328 R333 N334 E335 | T327-G331 PolarHBondContact O-N 2.91Å; T328-G331 WeakPolarHBondContact O-CA 3.26Å; T328-G331 PolarHBondContact O-N 2.91Å; G331-R333 VanDerWaalsContact C-N 3.33Å; G331-R333 PolarHBondContact O-N 3.15Å; G331-N334 PolarHBondContact O-N 3.27Å; G331-N334 VanDerWaalsContact O-N 3.1Å; G331-E335 PolarHBondContact O-N 2.9Å |
| 332 | E | 88.8 | Confident | 87.9 | Confident | 119 Ų | 119 | 96.5 Ų | 96.5 | 56% | 0.556 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -57.9 | -41.8 | 176.3 | -69.9 | 171.7 | -178.9 | 0 | 0 | 112.2 | T328 N334 E335 L336 | T328-E332 PolarHBondContact O-N 2.96Å; E332-N334 VanDerWaalsContact C-N 3.32Å; E332-N334 PolarHBondContact O-N 2.73Å; E332-E335 PolarHBondContact O-N 3.03Å; E332-L336 WeakPolarHBondContact O-CB 3.49Å; E332-L336 VanDerWaalsContact O-CG 3.3Å; E332-L336 WeakPolarHBondContact O-CG 3.46Å; E332-L336 PolarHBondContact O-N 3.47Å |
| 333 | R | 89.9 | Confident | 88.5 | Confident | 125 Ų | 125 | 95 Ų | 95 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.6 | -40.8 | 175.1 | -175.3 | -156.5 | 68.3 | -149.6 | -2.9 | 112 | L329 E330 G331 Y337 | L329-R333 VanDerWaalsContact O-CB 3.32Å; L329-R333 WeakPolarHBondContact O-CB 3.42Å; L329-R333 PolarHBondContact O-N 3Å; E330-R333 IonicContact OE1-CZ 2.65Å; E330-R333 IonicContact OE1-NH1 3.45Å; E330-R333 PolarHBondContact OE1-NH1 2.99Å; E330-R333 IonicContact OE1-NH2 2.74Å; E330-R333 PolarHBondContact OE1-NH2 3.04Å; G331-R333 VanDerWaalsContact C-N 3.33Å; G331-R333 PolarHBondContact O-N 3.15Å; R333-Y337 WeakPolarHBondContact O-CB 3.4Å; R333-Y337 PolarHBondContact O-N 3.36Å |
| 334 | N | 90.9 | Very high | 89 | Confident | 76 Ų | 76 | 93.7 Ų | 93.7 | 41% | 0.406 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.8 | -39.1 | 179.5 | -64.6 | -19.8 | 0 | 0 | 0 | 111.4 | E330 G331 E332 Y337 I338 | E330-N334 PolarHBondContact O-N 2.65Å; E330-N334 VanDerWaalsContact O-N 3.12Å; E330-N334 PolarHBondContact O-ND2 3.11Å; E330-N334 VanDerWaalsContact O-ND2 3.17Å; E330-N334 PolarHBondContact O-OD1 3.26Å; G331-N334 PolarHBondContact O-N 3.27Å; G331-N334 VanDerWaalsContact O-N 3.1Å; E332-N334 VanDerWaalsContact C-N 3.32Å; E332-N334 PolarHBondContact O-N 2.73Å; N334-Y337 WeakPolarHBondContact O-CB 3.38Å; N334-Y337 PolarHBondContact O-N 3.44Å; N334-I338 WeakPolarHBondContact O-CG1 3.47Å; N334-I338 PolarHBondContact O-N 3Å; N334-I338 VanDerWaalsContact O-N 3.08Å |
| 335 | E | 91.3 | Very high | 89.6 | Confident | 98 Ų | 98 | 93.2 Ų | 93.2 | 46% | 0.458 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.1 | -48.1 | 173.2 | -179.5 | 59.6 | -154.1 | 0 | 0 | 111.4 | G331 E332 Y337 I338 Q339 | G331-E335 PolarHBondContact O-N 2.9Å; E332-E335 PolarHBondContact O-N 3.03Å; E335-Y337 PolarHBondContact O-N 3.34Å; E335-I338 PolarHBondContact O-N 3.07Å; E335-I338 VanDerWaalsContact O-N 3.12Å; E335-Q339 WeakPolarHBondContact O-CG 3.49Å; E335-Q339 PolarHBondContact O-N 3.39Å; E335-Q339 PolarHBondContact OE1-NE2 2.95Å |
| 336 | L | 91.6 | Very high | 90.2 | Very high | 109 Ų | 109 | 94.1 Ų | 94.1 | 57% | 0.571 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.9 | -32.6 | 173.7 | -73.4 | 172.5 | 0 | 0 | 0 | 112.6 | E332 L340 | E332-L336 WeakPolarHBondContact O-CB 3.49Å; E332-L336 VanDerWaalsContact O-CG 3.3Å; E332-L336 WeakPolarHBondContact O-CG 3.46Å; E332-L336 PolarHBondContact O-N 3.47Å; L336-L340 WeakPolarHBondContact O-CB 3.48Å; L336-L340 PolarHBondContact O-N 3.41Å |
| 337 | Y | 90.6 | Very high | 90.7 | Very high | 176 Ų | 176 | 94.2 Ų | 94.2 | 69% | 0.69 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -69.5 | -37.6 | 176 | -167.9 | -88.6 | 0 | 0 | 0 | 112.2 | R333 N334 E335 S341 | R333-Y337 WeakPolarHBondContact O-CB 3.4Å; R333-Y337 PolarHBondContact O-N 3.36Å; N334-Y337 WeakPolarHBondContact O-CB 3.38Å; N334-Y337 PolarHBondContact O-N 3.44Å; E335-Y337 PolarHBondContact O-N 3.34Å; Y337-S341 PolarHBondContact O-N 3.24Å; Y337-S341 VanDerWaalsContact O-N 3.12Å |
| 338 | I | 91.6 | Very high | 91.3 | Very high | 87 Ų | 87 | 94.7 Ų | 94.7 | 45% | 0.446 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.3 | -52 | 173.4 | -65.7 | 165.8 | 0 | 0 | 0 | 109.7 | N334 E335 L340 S341 E342 | N334-I338 WeakPolarHBondContact O-CG1 3.47Å; N334-I338 PolarHBondContact O-N 3Å; N334-I338 VanDerWaalsContact O-N 3.08Å; E335-I338 PolarHBondContact O-N 3.07Å; E335-I338 VanDerWaalsContact O-N 3.12Å; I338-L340 VanDerWaalsContact C-N 3.32Å; I338-L340 PolarHBondContact O-N 2.9Å; I338-S341 WeakPolarHBondContact O-CA 3.37Å; I338-S341 VanDerWaalsContact O-CB 3.32Å; I338-S341 WeakPolarHBondContact O-CB 3.49Å; I338-S341 PolarHBondContact O-N 3.41Å; I338-E342 PolarHBondContact O-N 3.13Å |
| 339 | Q | 93.3 | Very high | 91.9 | Very high | 88 Ų | 88 | 96 Ų | 96 | 41% | 0.411 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.9 | -39.7 | 179.2 | -67 | 177.8 | 12.1 | 0 | 0 | 112.2 | E335 S341 E342 V343 | E335-Q339 WeakPolarHBondContact O-CG 3.49Å; E335-Q339 PolarHBondContact O-N 3.39Å; E335-Q339 PolarHBondContact OE1-NE2 2.95Å; Q339-S341 VanDerWaalsContact C-N 3.31Å; Q339-S341 PolarHBondContact O-N 3.12Å; Q339-E342 PolarHBondContact O-N 2.99Å; Q339-V343 WeakPolarHBondContact O-CB 3.31Å; Q339-V343 VanDerWaalsContact O-CG2 3.3Å; Q339-V343 WeakPolarHBondContact O-CG2 3.3Å; Q339-V343 PolarHBondContact O-N 3.37Å |
| 340 | L | 92.5 | Very high | 92.3 | Very high | 110 Ų | 110 | 96.1 Ų | 96.1 | 58% | 0.576 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.1 | -37.2 | 175.3 | -165.1 | 75.9 | 0 | 0 | 0 | 111.7 | L336 I338 V343 D344 | L336-L340 WeakPolarHBondContact O-CB 3.48Å; L336-L340 PolarHBondContact O-N 3.41Å; I338-L340 VanDerWaalsContact C-N 3.32Å; I338-L340 PolarHBondContact O-N 2.9Å; L340-V343 PolarHBondContact O-N 2.92Å; L340-D344 PolarHBondContact O-N 3.36Å |
| 341 | S | 92.8 | Very high | 92.8 | Very high | 61 Ų | 61 | 97.9 Ų | 97.9 | 43% | 0.427 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 174.7 | -166.4 | 0 | 0 | 0 | 0 | 112.1 | Y337 I338 Q339 D344 E345 | Y337-S341 PolarHBondContact O-N 3.24Å; Y337-S341 VanDerWaalsContact O-N 3.12Å; I338-S341 WeakPolarHBondContact O-CA 3.37Å; I338-S341 VanDerWaalsContact O-CB 3.32Å; I338-S341 WeakPolarHBondContact O-CB 3.49Å; I338-S341 PolarHBondContact O-N 3.41Å; Q339-S341 VanDerWaalsContact C-N 3.31Å; Q339-S341 PolarHBondContact O-N 3.12Å; S341-D344 PolarHBondContact O-N 3.32Å; S341-E345 PolarHBondContact O-N 3.42Å |
| 342 | E | 93.8 | Very high | 93.2 | Very high | 121 Ų | 121 | 101.7 Ų | 101.7 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.1 | -39.2 | 176.2 | -68 | 177.7 | 174.7 | 0 | 0 | 111.9 | I338 Q339 E345 T346 | I338-E342 PolarHBondContact O-N 3.13Å; Q339-E342 PolarHBondContact O-N 2.99Å; E342-E345 PolarHBondContact O-N 3.28Å; E342-T346 WeakPolarHBondContact O-CG2 3.39Å; E342-T346 PolarHBondContact O-N 3.07Å; E342-T346 PolarHBondContact O-OG1 3.11Å |
| 343 | V | 93.3 | Very high | 93.5 | Very high | 86 Ų | 86 | 101.7 Ų | 101.7 | 52% | 0.521 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.1 | -38.1 | 173.2 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | Q339 L340 T346 K347 | Q339-V343 WeakPolarHBondContact O-CB 3.31Å; Q339-V343 VanDerWaalsContact O-CG2 3.3Å; Q339-V343 WeakPolarHBondContact O-CG2 3.3Å; Q339-V343 PolarHBondContact O-N 3.37Å; L340-V343 PolarHBondContact O-N 2.92Å; V343-T346 WeakPolarHBondContact CA-OG1 3.41Å; V343-T346 PolarHBondContact O-OG1 2.93Å; V343-T346 VanDerWaalsContact O-OG1 3.13Å; V343-K347 WeakPolarHBondContact O-CB 3.41Å; V343-K347 PolarHBondContact O-N 2.94Å |
| 344 | D | 92.8 | Very high | 93.9 | Very high | 68 Ų | 68 | 99.5 Ų | 99.5 | 36% | 0.364 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -74.5 | -30.4 | 177.1 | -99.8 | -22.7 | 0 | 0 | 0 | 113.1 | L340 S341 K347 K348 | L340-D344 PolarHBondContact O-N 3.36Å; S341-D344 PolarHBondContact O-N 3.32Å; D344-K347 IonicContact OD1-NZ 3.15Å; D344-K347 PolarHBondContact OD1-NZ 2.71Å; D344-K348 WeakPolarHBondContact O-CG 3.49Å; D344-K348 PolarHBondContact O-N 3.02Å; D344-K348 VanDerWaalsContact O-N 3.13Å |
| 345 | E | 94.6 | Very high | 94.2 | Very high | 89 Ų | 89 | 101.9 Ų | 101.9 | 42% | 0.416 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.8 | -51.8 | 170.4 | -67.4 | -49.5 | 147.4 | 0 | 0 | 112 | S341 E342 K347 K348 E349 | S341-E345 PolarHBondContact O-N 3.42Å; E342-E345 PolarHBondContact O-N 3.28Å; E345-K347 PolarHBondContact O-N 2.92Å; E345-K347 VanDerWaalsContact O-N 3.15Å; E345-K348 WeakPolarHBondContact O-CA 3.21Å; E345-K348 WeakPolarHBondContact O-CB 3.41Å; E345-K348 PolarHBondContact O-N 3.01Å; E345-K348 IonicContact OE1-NZ 2.85Å; E345-K348 PolarHBondContact OE1-NZ 3.08Å; E345-K348 WeakPolarHBondContact OE2-CD 3.47Å; E345-K348 WeakPolarHBondContact OE2-CE 3.21Å; E345-K348 IonicContact OE2-NZ 3.08Å; E345-K348 PolarHBondContact OE2-NZ 3.39Å; E345-E349 PolarHBondContact O-N 3.45Å |
| 346 | T | 94.4 | Very high | 94.4 | Very high | 78 Ų | 78 | 101.8 Ų | 101.8 | 48% | 0.479 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.7 | -31.1 | 177.6 | 52.6 | 0 | 0 | 0 | 0 | 112.1 | E342 V343 E349 L350 | E342-T346 WeakPolarHBondContact O-CG2 3.39Å; E342-T346 PolarHBondContact O-N 3.07Å; E342-T346 PolarHBondContact O-OG1 3.11Å; V343-T346 WeakPolarHBondContact CA-OG1 3.41Å; V343-T346 PolarHBondContact O-OG1 2.93Å; V343-T346 VanDerWaalsContact O-OG1 3.13Å; T346-E349 PolarHBondContact O-N 3Å; T346-L350 WeakPolarHBondContact O-CB 3.44Å; T346-L350 PolarHBondContact O-N 3.36Å |
| 347 | K | 95.3 | Very high | 94.7 | Very high | 102 Ų | 102 | 102.4 Ų | 102.4 | 44% | 0.443 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.3 | -24.9 | 171.2 | 178.3 | 175.9 | 152.8 | -149.4 | 0 | 113.8 | V343 D344 E345 R351 | V343-K347 WeakPolarHBondContact O-CB 3.41Å; V343-K347 PolarHBondContact O-N 2.94Å; D344-K347 IonicContact OD1-NZ 3.15Å; D344-K347 PolarHBondContact OD1-NZ 2.71Å; E345-K347 PolarHBondContact O-N 2.92Å; E345-K347 VanDerWaalsContact O-N 3.15Å; K347-R351 WeakPolarHBondContact O-CG 3.37Å; K347-R351 PolarHBondContact O-N 3.14Å; K347-R351 PolarHBondContact O-NE 2.84Å |
| 348 | K | 95.3 | Very high | 95 | Very high | 89 Ų | 89 | 99.5 Ų | 99.5 | 39% | 0.387 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -72.4 | -49.5 | 167.1 | -68.6 | 170.4 | -152.6 | 165.1 | 0 | 110.1 | D344 E345 L350 R351 E352 | D344-K348 WeakPolarHBondContact O-CG 3.49Å; D344-K348 PolarHBondContact O-N 3.02Å; D344-K348 VanDerWaalsContact O-N 3.13Å; E345-K348 WeakPolarHBondContact O-CA 3.21Å; E345-K348 WeakPolarHBondContact O-CB 3.41Å; E345-K348 PolarHBondContact O-N 3.01Å; E345-K348 IonicContact OE1-NZ 2.85Å; E345-K348 PolarHBondContact OE1-NZ 3.08Å; E345-K348 WeakPolarHBondContact OE2-CD 3.47Å; E345-K348 WeakPolarHBondContact OE2-CE 3.21Å; E345-K348 IonicContact OE2-NZ 3.08Å; E345-K348 PolarHBondContact OE2-NZ 3.39Å; K348-L350 VanDerWaalsContact C-N 3.34Å; K348-L350 PolarHBondContact O-N 3.08Å; K348-R351 CarbonylContact O-C 3.6Å; K348-R351 WeakPolarHBondContact O-CA 3.32Å; K348-R351 WeakPolarHBondContact O-CB 3.5Å; K348-R351 PolarHBondContact O-N 3.49Å; K348-E352 PolarHBondContact O-N 2.87Å |
| 349 | E | 96.3 | Very high | 95.2 | Very high | 112 Ų | 112 | 99.4 Ų | 99.4 | 52% | 0.523 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -54.2 | -48.7 | 177.6 | -64.8 | 177 | 159.1 | 0 | 0 | 111.4 | E345 T346 R351 E352 H353 | E345-E349 PolarHBondContact O-N 3.45Å; T346-E349 PolarHBondContact O-N 3Å; E349-R351 VanDerWaalsContact C-N 3.29Å; E349-R351 PolarHBondContact O-N 2.98Å; E349-E352 PolarHBondContact O-N 3.41Å; E349-H353 PolarHBondContact O-CD2 3.37Å; E349-H353 PolarHBondContact O-N 2.85Å |
| 350 | L | 96.3 | Very high | 95.4 | Very high | 109 Ų | 109 | 100.7 Ų | 100.7 | 57% | 0.571 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.7 | -37.2 | 176.5 | -176.5 | 63 | 0 | 0 | 0 | 112.5 | T346 K348 H353 I354 | T346-L350 WeakPolarHBondContact O-CB 3.44Å; T346-L350 PolarHBondContact O-N 3.36Å; K348-L350 VanDerWaalsContact C-N 3.34Å; K348-L350 PolarHBondContact O-N 3.08Å; L350-H353 PolarHBondContact O-N 2.89Å; L350-I354 HydrophobicContact CG-CD1 4.16Å; L350-I354 WeakPolarHBondContact O-CD1 3.48Å; L350-I354 VanDerWaalsContact O-CG1 3.23Å; L350-I354 WeakPolarHBondContact O-CG1 3.46Å; L350-I354 PolarHBondContact O-N 3.25Å |
| 351 | R | 95.4 | Very high | 95.6 | Very high | 116 Ų | 116 | 100.8 Ų | 100.8 | 44% | 0.438 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.4 | -31.8 | 175 | -79 | 177.1 | -70.3 | -175.9 | -1.8 | 112.3 | K347 K348 E349 K355 | K347-R351 WeakPolarHBondContact O-CG 3.37Å; K347-R351 PolarHBondContact O-N 3.14Å; K347-R351 PolarHBondContact O-NE 2.84Å; K348-R351 CarbonylContact O-C 3.6Å; K348-R351 WeakPolarHBondContact O-CA 3.32Å; K348-R351 WeakPolarHBondContact O-CB 3.5Å; K348-R351 PolarHBondContact O-N 3.49Å; E349-R351 VanDerWaalsContact C-N 3.29Å; E349-R351 PolarHBondContact O-N 2.98Å; R351-K355 VanDerWaalsContact O-CG 3.31Å; R351-K355 WeakPolarHBondContact O-CG 3.41Å; R351-K355 PolarHBondContact O-N 3.44Å; R351-K355 VanDerWaalsContact O-N 3.13Å |
| 352 | E | 95.9 | Very high | 95.8 | Very high | 117 Ų | 117 | 100.6 Ų | 100.6 | 55% | 0.547 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.4 | -43.4 | 173.3 | -68.3 | -174.5 | 174.8 | 0 | 0 | 111.4 | K348 E349 I354 K355 N356 | K348-E352 PolarHBondContact O-N 2.87Å; E349-E352 PolarHBondContact O-N 3.41Å; E352-I354 VanDerWaalsContact C-N 3.33Å; E352-I354 PolarHBondContact O-N 3.41Å; E352-K355 PolarHBondContact O-N 2.95Å; E352-K355 VanDerWaalsContact O-N 3.16Å; E352-N356 WeakPolarHBondContact O-CB 3.24Å; E352-N356 PolarHBondContact O-N 2.67Å; E352-N356 PolarHBondContact O-OD1 3.08Å |
| 353 | H | 96.6 | Very high | 96 | Very high | 119 Ų | 119 | 97.7 Ų | 97.7 | 55% | 0.551 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -57.5 | -42.9 | 171.3 | -73.9 | -63.3 | 0 | 0 | 0 | 112.6 | E349 L350 N356 L357 | E349-H353 PolarHBondContact O-CD2 3.37Å; E349-H353 PolarHBondContact O-N 2.85Å; L350-H353 PolarHBondContact O-N 2.89Å; H353-N356 PolarHBondContact O-N 2.69Å; H353-L357 WeakPolarHBondContact O-CB 3.39Å; H353-L357 WeakPolarHBondContact O-CG 3.49Å; H353-L357 PolarHBondContact O-N 2.96Å |
| 354 | I | 96.3 | Very high | 96.1 | Very high | 79 Ų | 79 | 98.4 Ų | 98.4 | 41% | 0.405 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 175.3 | -71.3 | 163.9 | 0 | 0 | 0 | 111.4 | L350 E352 L357 Q358 | L350-I354 HydrophobicContact CG-CD1 4.16Å; L350-I354 WeakPolarHBondContact O-CD1 3.48Å; L350-I354 VanDerWaalsContact O-CG1 3.23Å; L350-I354 WeakPolarHBondContact O-CG1 3.46Å; L350-I354 PolarHBondContact O-N 3.25Å; E352-I354 VanDerWaalsContact C-N 3.33Å; E352-I354 PolarHBondContact O-N 3.41Å; I354-L357 PolarHBondContact O-N 3.22Å; I354-Q358 VanDerWaalsContact O-CG 3.31Å; I354-Q358 WeakPolarHBondContact O-CG 3.48Å; I354-Q358 PolarHBondContact O-N 3.37Å |
| 355 | K | 97.4 | Very high | 96.3 | Very high | 126 Ų | 126 | 100.9 Ų | 100.9 | 55% | 0.548 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 176.4 | -74 | 169.6 | -178.1 | 176.7 | 0 | 111.8 | R351 E352 L357 Q358 T359 | R351-K355 VanDerWaalsContact O-CG 3.31Å; R351-K355 WeakPolarHBondContact O-CG 3.41Å; R351-K355 PolarHBondContact O-N 3.44Å; R351-K355 VanDerWaalsContact O-N 3.13Å; E352-K355 PolarHBondContact O-N 2.95Å; E352-K355 VanDerWaalsContact O-N 3.16Å; K355-L357 PolarHBondContact O-N 3.49Å; K355-Q358 WeakPolarHBondContact O-CB 3.45Å; K355-Q358 PolarHBondContact O-N 2.98Å; K355-Q358 VanDerWaalsContact O-N 3.16Å; K355-T359 PolarHBondContact O-N 3.27Å; K355-T359 PolarHBondContact O-OG1 2.92Å |
| 356 | N | 96.9 | Very high | 96.4 | Very high | 96 Ų | 96 | 100 Ų | 100 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 179.7 | -65.9 | -8.3 | 0 | 0 | 0 | 110.9 | E352 H353 Q358 T359 E360 | E352-N356 WeakPolarHBondContact O-CB 3.24Å; E352-N356 PolarHBondContact O-N 2.67Å; E352-N356 PolarHBondContact O-OD1 3.08Å; H353-N356 PolarHBondContact O-N 2.69Å; N356-Q358 VanDerWaalsContact C-N 3.33Å; N356-Q358 PolarHBondContact O-N 3.41Å; N356-T359 WeakPolarHBondContact CA-OG1 3.31Å; N356-T359 PolarHBondContact O-N 3.39Å; N356-T359 PolarHBondContact O-OG1 3.09Å; N356-E360 WeakPolarHBondContact O-CG 3.33Å; N356-E360 PolarHBondContact O-N 3.09Å |
| 357 | L | 97.3 | Very high | 96.5 | Very high | 122 Ų | 122 | 100.5 Ų | 100.5 | 64% | 0.639 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.6 | -36.9 | 173.7 | -73.4 | 170.1 | 0 | 0 | 0 | 112.6 | H353 I354 K355 Q361 | H353-L357 WeakPolarHBondContact O-CB 3.39Å; H353-L357 WeakPolarHBondContact O-CG 3.49Å; H353-L357 PolarHBondContact O-N 2.96Å; I354-L357 PolarHBondContact O-N 3.22Å; K355-L357 PolarHBondContact O-N 3.49Å; L357-Q361 WeakPolarHBondContact O-CB 3.3Å; L357-Q361 PolarHBondContact O-N 3.38Å |
| 358 | Q | 96.9 | Very high | 96.6 | Very high | 114 Ų | 114 | 99.7 Ų | 99.7 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.4 | -37.4 | 174.6 | -74.8 | 173.7 | -15.8 | 0 | 0 | 112.5 | I354 K355 N356 A362 | I354-Q358 VanDerWaalsContact O-CG 3.31Å; I354-Q358 WeakPolarHBondContact O-CG 3.48Å; I354-Q358 PolarHBondContact O-N 3.37Å; K355-Q358 WeakPolarHBondContact O-CB 3.45Å; K355-Q358 PolarHBondContact O-N 2.98Å; K355-Q358 VanDerWaalsContact O-N 3.16Å; N356-Q358 VanDerWaalsContact C-N 3.33Å; N356-Q358 PolarHBondContact O-N 3.41Å; Q358-A362 PolarHBondContact O-N 2.66Å |
| 359 | T | 96.1 | Very high | 96.7 | Very high | 86 Ų | 86 | 99.6 Ų | 99.6 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.1 | -39.6 | 174.6 | 48 | 0 | 0 | 0 | 0 | 112.2 | K355 N356 A362 S363 | K355-T359 PolarHBondContact O-N 3.27Å; K355-T359 PolarHBondContact O-OG1 2.92Å; N356-T359 WeakPolarHBondContact CA-OG1 3.31Å; N356-T359 PolarHBondContact O-N 3.39Å; N356-T359 PolarHBondContact O-OG1 3.09Å; T359-A362 PolarHBondContact O-N 3.43Å; T359-S363 WeakPolarHBondContact O-CB 3.39Å; T359-S363 PolarHBondContact O-N 3.13Å |
| 360 | E | 96.4 | Very high | 96.7 | Very high | 114 Ų | 114 | 99 Ų | 99 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 172.6 | -71.2 | -58.7 | 148.3 | 0 | 0 | 111.4 | N356 A362 S363 L364 | N356-E360 WeakPolarHBondContact O-CG 3.33Å; N356-E360 PolarHBondContact O-N 3.09Å; E360-A362 VanDerWaalsContact C-N 3.35Å; E360-A362 PolarHBondContact O-N 3.01Å; E360-S363 WeakPolarHBondContact O-CB 3.29Å; E360-S363 PolarHBondContact O-N 3.1Å; E360-L364 WeakPolarHBondContact O-CB 3.42Å; E360-L364 WeakPolarHBondContact O-CG 2.95Å; E360-L364 PolarHBondContact O-N 2.9Å |
| 361 | Q | 97.3 | Very high | 96.8 | Very high | 113 Ų | 113 | 98.4 Ų | 98.4 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.7 | -44.7 | 174.9 | -177.7 | -178 | -1.6 | 0 | 0 | 111.9 | L357 Q365 | L357-Q361 WeakPolarHBondContact O-CB 3.3Å; L357-Q361 PolarHBondContact O-N 3.38Å; Q361-Q365 WeakPolarHBondContact O-CB 3.48Å; Q361-Q365 VanDerWaalsContact O-CG 3.31Å; Q361-Q365 WeakPolarHBondContact O-CG 3.5Å; Q361-Q365 PolarHBondContact O-N 2.97Å |
| 362 | A | 96.8 | Very high | 96.9 | Very high | 56 Ų | 56 | 97.6 Ų | 97.6 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.1 | -38.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q358 T359 E360 Q365 S366 | Q358-A362 PolarHBondContact O-N 2.66Å; T359-A362 PolarHBondContact O-N 3.43Å; E360-A362 VanDerWaalsContact C-N 3.35Å; E360-A362 PolarHBondContact O-N 3.01Å; A362-Q365 PolarHBondContact O-N 3.46Å; A362-S366 PolarHBondContact O-N 3Å |
| 363 | S | 97.2 | Very high | 96.9 | Very high | 60 Ų | 60 | 94.8 Ų | 94.8 | 42% | 0.42 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.3 | -56.1 | 174.5 | -170.7 | 0 | 0 | 0 | 0 | 110.9 | T359 E360 Q365 S366 E367 | T359-S363 WeakPolarHBondContact O-CB 3.39Å; T359-S363 PolarHBondContact O-N 3.13Å; E360-S363 WeakPolarHBondContact O-CB 3.29Å; E360-S363 PolarHBondContact O-N 3.1Å; S363-Q365 VanDerWaalsContact C-N 3.31Å; S363-Q365 PolarHBondContact O-N 3.39Å; S363-S366 WeakPolarHBondContact O-CB 3.26Å; S363-S366 PolarHBondContact O-N 2.86Å; S363-S366 PolarHBondContact O-OG 2.9Å; S363-E367 PolarHBondContact O-N 3.36Å |
| 364 | L | 97.3 | Very high | 97 | Very high | 102 Ų | 102 | 92.7 Ų | 92.7 | 53% | 0.534 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.3 | -35.2 | 179.1 | -69.1 | 171.5 | 0 | 0 | 0 | 112.8 | E360 E367 N368 | E360-L364 WeakPolarHBondContact O-CB 3.42Å; E360-L364 WeakPolarHBondContact O-CG 2.95Å; E360-L364 PolarHBondContact O-N 2.9Å; L364-E367 PolarHBondContact O-N 3.37Å; L364-N368 WeakPolarHBondContact O-CB 3.28Å; L364-N368 PolarHBondContact O-N 2.93Å |
| 365 | Q | 97.1 | Very high | 97 | Very high | 119 Ų | 119 | 93.3 Ų | 93.3 | 56% | 0.556 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.9 | -43.7 | 172.3 | -79.8 | -178.2 | -9.7 | 0 | 0 | 111.8 | Q361 A362 S363 N368 T369 | Q361-Q365 WeakPolarHBondContact O-CB 3.48Å; Q361-Q365 VanDerWaalsContact O-CG 3.31Å; Q361-Q365 WeakPolarHBondContact O-CG 3.5Å; Q361-Q365 PolarHBondContact O-N 2.97Å; A362-Q365 PolarHBondContact O-N 3.46Å; S363-Q365 VanDerWaalsContact C-N 3.31Å; S363-Q365 PolarHBondContact O-N 3.39Å; Q365-N368 PolarHBondContact O-N 2.94Å; Q365-T369 WeakPolarHBondContact O-CG2 3.28Å; Q365-T369 PolarHBondContact O-N 3.46Å |
| 366 | S | 96.1 | Very high | 97 | Very high | 70 Ų | 70 | 92.8 Ų | 92.8 | 49% | 0.49 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 176.6 | 77.7 | 0 | 0 | 0 | 0 | 111.8 | A362 S363 T369 H370 | A362-S366 PolarHBondContact O-N 3Å; S363-S366 WeakPolarHBondContact O-CB 3.26Å; S363-S366 PolarHBondContact O-N 2.86Å; S363-S366 PolarHBondContact O-OG 2.9Å; S366-T369 PolarHBondContact O-N 3.02Å; S366-T369 PolarHBondContact O-OG1 3.45Å; S366-H370 PolarHBondContact O-N 3.18Å |
| 367 | E | 96.8 | Very high | 97.1 | Very high | 90 Ų | 90 | 93.5 Ų | 93.5 | 42% | 0.421 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 177.4 | -161.6 | -175.1 | 178.4 | 0 | 0 | 111.5 | S363 L364 T369 H370 F371 | S363-E367 PolarHBondContact O-N 3.36Å; L364-E367 PolarHBondContact O-N 3.37Å; E367-T369 PolarHBondContact O-N 3.06Å; E367-H370 WeakPolarHBondContact O-CB 3.3Å; E367-H370 PolarHBondContact O-N 3.2Å; E367-H370 VanDerWaalsContact O-N 3.14Å; E367-F371 HydrophobicContact CG-CD2 4.07Å; E367-F371 HydrophobicContact CG-CE2 3.56Å; E367-F371 HydrophobicContact CG-CZ 4.23Å; E367-F371 WeakPolarHBondContact O-CD2 3.46Å; E367-F371 PolarHBondContact O-N 3.31Å; E367-F371 WeakPolarHBondContact OE1-CE2 3.5Å |
| 368 | N | 96.7 | Very high | 97 | Very high | 84 Ų | 84 | 92.3 Ų | 92.3 | 45% | 0.449 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 174.3 | -175.2 | 70.5 | 0 | 0 | 0 | 112.1 | L364 Q365 H370 F371 E372 | L364-N368 WeakPolarHBondContact O-CB 3.28Å; L364-N368 PolarHBondContact O-N 2.93Å; Q365-N368 PolarHBondContact O-N 2.94Å; N368-H370 PolarHBondContact O-N 3.26Å; N368-F371 PolarHBondContact O-N 3.27Å; N368-E372 PolarHBondContact ND2-OE1 3.3Å; N368-E372 WeakPolarHBondContact O-CG 3.23Å; N368-E372 PolarHBondContact O-N 3.21Å |
| 369 | T | 96.8 | Very high | 97.1 | Very high | 88 Ų | 88 | 93.4 Ų | 93.4 | 54% | 0.54 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.3 | -31.4 | 174.7 | 61.9 | 0 | 0 | 0 | 0 | 112.7 | Q365 S366 E367 S373 | Q365-T369 WeakPolarHBondContact O-CG2 3.28Å; Q365-T369 PolarHBondContact O-N 3.46Å; S366-T369 PolarHBondContact O-N 3.02Å; S366-T369 PolarHBondContact O-OG1 3.45Å; E367-T369 PolarHBondContact O-N 3.06Å; T369-S373 PolarHBondContact O-N 3.46Å; T369-S373 VanDerWaalsContact O-N 3.16Å |
| 370 | H | 97.4 | Very high | 97.2 | Very high | 98 Ų | 98 | 95.7 Ų | 95.7 | 45% | 0.454 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66 | -50.4 | 172.9 | -178.8 | 40.2 | 0 | 0 | 0 | 111.2 | S366 E367 N368 E372 S373 E374 | S366-H370 PolarHBondContact O-N 3.18Å; E367-H370 WeakPolarHBondContact O-CB 3.3Å; E367-H370 PolarHBondContact O-N 3.2Å; E367-H370 VanDerWaalsContact O-N 3.14Å; N368-H370 PolarHBondContact O-N 3.26Å; H370-E372 VanDerWaalsContact C-N 3.33Å; H370-E372 PolarHBondContact O-N 3.41Å; H370-S373 WeakPolarHBondContact O-CB 3.47Å; H370-S373 PolarHBondContact O-N 3.28Å; H370-S373 VanDerWaalsContact O-N 3.1Å; H370-S373 PolarHBondContact O-OG 3.38Å; H370-E374 WeakPolarHBondContact O-CG 3.22Å; H370-E374 PolarHBondContact O-N 2.97Å |
| 371 | F | 97.6 | Very high | 97.3 | Very high | 98 Ų | 98 | 96 Ų | 96 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63 | -34.1 | 177 | -70.6 | -50.8 | 0 | 0 | 0 | 113.5 | E367 N368 S373 E374 N375 | E367-F371 HydrophobicContact CG-CD2 4.07Å; E367-F371 HydrophobicContact CG-CE2 3.56Å; E367-F371 HydrophobicContact CG-CZ 4.23Å; E367-F371 WeakPolarHBondContact O-CD2 3.46Å; E367-F371 PolarHBondContact O-N 3.31Å; E367-F371 WeakPolarHBondContact OE1-CE2 3.5Å; N368-F371 PolarHBondContact O-N 3.27Å; F371-S373 VanDerWaalsContact C-N 3.35Å; F371-E374 PolarHBondContact O-N 3.48Å; F371-N375 WeakPolarHBondContact O-CB 3.39Å; F371-N375 PolarHBondContact O-N 2.91Å; F371-N375 PolarHBondContact O-ND2 3.43Å |
| 372 | E | 97.6 | Very high | 97.3 | Very high | 98 Ų | 98 | 95.9 Ų | 95.9 | 46% | 0.458 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61 | -43.6 | 171.4 | -77 | 176.9 | -165.9 | 0 | 0 | 111.5 | N368 H370 E374 N375 Q376 | N368-E372 PolarHBondContact ND2-OE1 3.3Å; N368-E372 WeakPolarHBondContact O-CG 3.23Å; N368-E372 PolarHBondContact O-N 3.21Å; H370-E372 VanDerWaalsContact C-N 3.33Å; H370-E372 PolarHBondContact O-N 3.41Å; E372-E374 PolarHBondContact O-N 3.19Å; E372-N375 PolarHBondContact O-N 3.36Å; E372-Q376 WeakPolarHBondContact O-CG 3.48Å; E372-Q376 PolarHBondContact O-N 2.87Å |
| 373 | S | 97.3 | Very high | 97.3 | Very high | 58 Ų | 58 | 99.5 Ų | 99.5 | 41% | 0.406 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.4 | -37.3 | 176.6 | 80.2 | 0 | 0 | 0 | 0 | 112.8 | T369 H370 F371 K377 | T369-S373 PolarHBondContact O-N 3.46Å; T369-S373 VanDerWaalsContact O-N 3.16Å; H370-S373 WeakPolarHBondContact O-CB 3.47Å; H370-S373 PolarHBondContact O-N 3.28Å; H370-S373 VanDerWaalsContact O-N 3.1Å; H370-S373 PolarHBondContact O-OG 3.38Å; F371-S373 VanDerWaalsContact C-N 3.35Å; S373-K377 WeakPolarHBondContact O-CB 3.46Å; S373-K377 PolarHBondContact O-N 2.69Å |
| 374 | E | 97.9 | Very high | 97.4 | Very high | 76 Ų | 76 | 101 Ų | 101 | 36% | 0.355 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.7 | -43.9 | 175.1 | -68.1 | -115.8 | 112.7 | 0 | 0 | 111.3 | H370 F371 E372 K377 L378 | H370-E374 WeakPolarHBondContact O-CG 3.22Å; H370-E374 PolarHBondContact O-N 2.97Å; F371-E374 PolarHBondContact O-N 3.48Å; E372-E374 PolarHBondContact O-N 3.19Å; E374-K377 WeakPolarHBondContact O-CB 3.31Å; E374-K377 PolarHBondContact O-N 3.04Å; E374-L378 WeakPolarHBondContact O-CG 3.5Å; E374-L378 PolarHBondContact O-N 3.12Å |
| 375 | N | 95.3 | Very high | 97.3 | Very high | 92 Ų | 92 | 102.3 Ų | 102.3 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 175.8 | -83.9 | -49.5 | 0 | 0 | 0 | 112.1 | F371 E372 K377 L378 Q379 | F371-N375 WeakPolarHBondContact O-CB 3.39Å; F371-N375 PolarHBondContact O-N 2.91Å; F371-N375 PolarHBondContact O-ND2 3.43Å; E372-N375 PolarHBondContact O-N 3.36Å; N375-K377 VanDerWaalsContact C-N 3.33Å; N375-K377 PolarHBondContact O-N 3.12Å; N375-L378 PolarHBondContact O-N 3.13Å; N375-Q379 WeakPolarHBondContact O-CG 3.38Å; N375-Q379 PolarHBondContact O-N 2.76Å |
| 376 | Q | 98.3 | Very high | 97.3 | Very high | 114 Ų | 114 | 100 Ų | 100 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 174.1 | -70.9 | 176.1 | 20 | 0 | 0 | 111.8 | E372 L378 Q379 Q380 | E372-Q376 WeakPolarHBondContact O-CG 3.48Å; E372-Q376 PolarHBondContact O-N 2.87Å; Q376-L378 PolarHBondContact O-N 2.85Å; Q376-Q379 PolarHBondContact O-N 3.22Å; Q376-Q380 WeakPolarHBondContact O-CG 3.47Å; Q376-Q380 PolarHBondContact O-N 3.5Å |
| 377 | K | 98.2 | Very high | 97.4 | Very high | 112 Ų | 112 | 101.6 Ų | 101.6 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.4 | -37.2 | 176.3 | -177.8 | -177.1 | -179.8 | -174.2 | 0 | 112.3 | S373 E374 N375 K381 | S373-K377 WeakPolarHBondContact O-CB 3.46Å; S373-K377 PolarHBondContact O-N 2.69Å; E374-K377 WeakPolarHBondContact O-CB 3.31Å; E374-K377 PolarHBondContact O-N 3.04Å; N375-K377 VanDerWaalsContact C-N 3.33Å; N375-K377 PolarHBondContact O-N 3.12Å; K377-K381 WeakPolarHBondContact O-CG 3.31Å; K377-K381 PolarHBondContact O-N 2.97Å |
| 378 | L | 97.2 | Very high | 97.5 | Very high | 97 Ų | 97 | 102 Ų | 102 | 51% | 0.508 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69 | -42.5 | 173.8 | -71.9 | 172.4 | 0 | 0 | 0 | 111.9 | E374 N375 Q376 Q380 K381 L382 | E374-L378 WeakPolarHBondContact O-CG 3.5Å; E374-L378 PolarHBondContact O-N 3.12Å; N375-L378 PolarHBondContact O-N 3.13Å; Q376-L378 PolarHBondContact O-N 2.85Å; L378-Q380 PolarHBondContact O-N 2.99Å; L378-K381 HydrophobicContact CD2-CD 4.49Å; L378-K381 PolarHBondContact O-N 3.25Å; L378-L382 WeakPolarHBondContact O-CB 3.31Å; L378-L382 PolarHBondContact O-N 3.01Å |
| 379 | Q | 97.8 | Very high | 97.4 | Very high | 136 Ų | 136 | 105.1 Ų | 105.1 | 64% | 0.636 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.7 | -43.5 | 173.3 | -73.5 | 176.8 | -5.8 | 0 | 0 | 111.9 | N375 Q376 L382 K383 | N375-Q379 WeakPolarHBondContact O-CG 3.38Å; N375-Q379 PolarHBondContact O-N 2.76Å; Q376-Q379 PolarHBondContact O-N 3.22Å; Q379-L382 PolarHBondContact O-N 3.4Å; Q379-K383 PolarHBondContact O-N 2.93Å |
| 380 | Q | 98 | Very high | 97.4 | Very high | 134 Ų | 134 | 104.5 Ų | 104.5 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.5 | -45.1 | 174.5 | -72.7 | 178.6 | 9.7 | 0 | 0 | 112.1 | Q376 L378 L382 K383 V384 | Q376-Q380 WeakPolarHBondContact O-CG 3.47Å; Q376-Q380 PolarHBondContact O-N 3.5Å; L378-Q380 PolarHBondContact O-N 2.99Å; Q380-L382 VanDerWaalsContact C-N 3.34Å; Q380-L382 PolarHBondContact O-N 3.4Å; Q380-K383 PolarHBondContact O-N 3.29Å; Q380-V384 WeakPolarHBondContact O-CG2 3.26Å; Q380-V384 PolarHBondContact O-N 3.03Å |
| 381 | K | 98.1 | Very high | 97.4 | Very high | 122 Ų | 122 | 105.9 Ų | 105.9 | 53% | 0.53 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.3 | -44.1 | 174.5 | -79.4 | 177.3 | 174.6 | -176.4 | 0 | 112.2 | K377 L378 V384 M385 | K377-K381 WeakPolarHBondContact O-CG 3.31Å; K377-K381 PolarHBondContact O-N 2.97Å; L378-K381 HydrophobicContact CD2-CD 4.49Å; L378-K381 PolarHBondContact O-N 3.25Å; K381-V384 PolarHBondContact O-N 3.49Å; K381-M385 VanDerWaalsContact O-CB 3.28Å; K381-M385 WeakPolarHBondContact O-CB 3.24Å; K381-M385 PolarHBondContact O-N 3.46Å |
| 382 | L | 97.2 | Very high | 97.4 | Very high | 110 Ų | 110 | 104.8 Ų | 104.8 | 58% | 0.576 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.7 | -42.5 | 178 | 179.8 | 62.3 | 0 | 0 | 0 | 111.5 | L378 Q379 Q380 M385 T386 | L378-L382 WeakPolarHBondContact O-CB 3.31Å; L378-L382 PolarHBondContact O-N 3.01Å; Q379-L382 PolarHBondContact O-N 3.4Å; Q380-L382 VanDerWaalsContact C-N 3.34Å; Q380-L382 PolarHBondContact O-N 3.4Å; L382-M385 PolarHBondContact O-N 2.86Å; L382-T386 WeakPolarHBondContact O-CB 3.3Å; L382-T386 PolarHBondContact O-N 2.82Å; L382-T386 PolarHBondContact O-OG1 3.3Å |
| 383 | K | 98.3 | Very high | 97.3 | Very high | 132 Ų | 132 | 105 Ų | 105 | 57% | 0.574 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.5 | -51.9 | 175.8 | -178.6 | 174.2 | 175.1 | 176.9 | 0 | 111.7 | Q379 Q380 M385 T386 E387 | Q379-K383 PolarHBondContact O-N 2.93Å; Q380-K383 PolarHBondContact O-N 3.29Å; K383-M385 VanDerWaalsContact C-N 3.34Å; K383-M385 PolarHBondContact O-N 2.89Å; K383-T386 WeakPolarHBondContact O-CB 3.42Å; K383-T386 PolarHBondContact O-N 3.33Å; K383-T386 VanDerWaalsContact O-N 3.17Å; K383-E387 WeakPolarHBondContact CE-OE1 3.37Å; K383-E387 WeakPolarHBondContact CG-OE1 3.44Å; K383-E387 IonicContact NZ-OE1 3.97Å; K383-E387 WeakPolarHBondContact O-CG 3.17Å; K383-E387 PolarHBondContact O-N 2.84Å |
| 384 | V | 98.1 | Very high | 97.3 | Very high | 90 Ų | 90 | 106.5 Ų | 106.5 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 178.4 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | Q380 K381 T386 E387 L388 | Q380-V384 WeakPolarHBondContact O-CG2 3.26Å; Q380-V384 PolarHBondContact O-N 3.03Å; K381-V384 PolarHBondContact O-N 3.49Å; V384-T386 VanDerWaalsContact C-N 3.32Å; V384-T386 PolarHBondContact O-N 3.01Å; V384-E387 PolarHBondContact O-N 3.39Å; V384-L388 VanDerWaalsContact O-CB 3.29Å; V384-L388 WeakPolarHBondContact O-CB 3.34Å; V384-L388 PolarHBondContact O-N 2.87Å |
| 385 | M | 96 | Very high | 97.3 | Very high | 131 Ų | 131 | 108.2 Ų | 108.2 | 65% | 0.645 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.1 | -40.6 | 176.2 | -171.6 | -177 | -62 | 0 | 0 | 111.9 | K381 L382 K383 Y389 | K381-M385 VanDerWaalsContact O-CB 3.28Å; K381-M385 WeakPolarHBondContact O-CB 3.24Å; K381-M385 PolarHBondContact O-N 3.46Å; L382-M385 PolarHBondContact O-N 2.86Å; K383-M385 VanDerWaalsContact C-N 3.34Å; K383-M385 PolarHBondContact O-N 2.89Å; M385-Y389 WeakPolarHBondContact O-CB 3.26Å; M385-Y389 PolarHBondContact O-N 3.18Å |
| 386 | T | 97.8 | Very high | 97.4 | Very high | 69 Ų | 69 | 109.4 Ų | 109.4 | 42% | 0.423 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.8 | -48 | 176.7 | -55.6 | 0 | 0 | 0 | 0 | 111.2 | L382 K383 V384 L388 Y389 Q390 | L382-T386 WeakPolarHBondContact O-CB 3.3Å; L382-T386 PolarHBondContact O-N 2.82Å; L382-T386 PolarHBondContact O-OG1 3.3Å; K383-T386 WeakPolarHBondContact O-CB 3.42Å; K383-T386 PolarHBondContact O-N 3.33Å; K383-T386 VanDerWaalsContact O-N 3.17Å; V384-T386 VanDerWaalsContact C-N 3.32Å; V384-T386 PolarHBondContact O-N 3.01Å; T386-L388 PolarHBondContact O-N 3.39Å; T386-Y389 PolarHBondContact O-N 3Å; T386-Q390 VanDerWaalsContact O-CG 3.32Å; T386-Q390 WeakPolarHBondContact O-CG 3.45Å; T386-Q390 PolarHBondContact O-N 3.49Å |
| 387 | E | 97.4 | Very high | 97.3 | Very high | 105 Ų | 105 | 110.4 Ų | 110.4 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 177.4 | -73 | 172.3 | -175.8 | 0 | 0 | 111.6 | K383 V384 Y389 Q390 E391 | K383-E387 WeakPolarHBondContact CE-OE1 3.37Å; K383-E387 WeakPolarHBondContact CG-OE1 3.44Å; K383-E387 IonicContact NZ-OE1 3.97Å; K383-E387 WeakPolarHBondContact O-CG 3.17Å; K383-E387 PolarHBondContact O-N 2.84Å; V384-E387 PolarHBondContact O-N 3.39Å; E387-Y389 PolarHBondContact O-N 3.04Å; E387-Q390 PolarHBondContact O-N 3.39Å; E387-E391 PolarHBondContact O-N 2.91Å |
| 388 | L | 97.7 | Very high | 97.3 | Very high | 99 Ų | 99 | 113 Ų | 113 | 52% | 0.518 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66 | -36.3 | 177.3 | -177 | 142.1 | 0 | 0 | 0 | 112.6 | V384 T386 N392 | V384-L388 VanDerWaalsContact O-CB 3.29Å; V384-L388 WeakPolarHBondContact O-CB 3.34Å; V384-L388 PolarHBondContact O-N 2.87Å; T386-L388 PolarHBondContact O-N 3.39Å; L388-N392 VanDerWaalsContact CD2-ND2 3.32Å; L388-N392 WeakPolarHBondContact CD2-ND2 3.29Å; L388-N392 WeakPolarHBondContact O-CB 3.48Å; L388-N392 PolarHBondContact O-N 3.48Å; L388-N392 PolarHBondContact O-ND2 3.35Å; L388-N392 VanDerWaalsContact O-ND2 3.12Å |
| 389 | Y | 96.3 | Very high | 97.3 | Very high | 148 Ų | 148 | 114.6 Ų | 114.6 | 58% | 0.58 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.3 | -44.9 | 171.1 | 177.2 | -94 | 0 | 0 | 0 | 111.4 | M385 T386 E387 N392 R393 | M385-Y389 WeakPolarHBondContact O-CB 3.26Å; M385-Y389 PolarHBondContact O-N 3.18Å; T386-Y389 PolarHBondContact O-N 3Å; E387-Y389 PolarHBondContact O-N 3.04Å; Y389-N392 PolarHBondContact O-N 3.4Å; Y389-R393 WeakPolarHBondContact O-CB 3.49Å; Y389-R393 PolarHBondContact O-N 3.37Å |
| 390 | Q | 97.1 | Very high | 97.3 | Very high | 75 Ų | 75 | 113.6 Ų | 113.6 | 35% | 0.35 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 177.2 | -67.3 | -61.7 | -17.9 | 0 | 0 | 112.2 | T386 E387 R393 M394 | T386-Q390 VanDerWaalsContact O-CG 3.32Å; T386-Q390 WeakPolarHBondContact O-CG 3.45Å; T386-Q390 PolarHBondContact O-N 3.49Å; E387-Q390 PolarHBondContact O-N 3.39Å; Q390-R393 PolarHBondContact O-N 2.98Å; Q390-R393 VanDerWaalsContact OE1-NE 3.09Å; Q390-M394 WeakPolarHBondContact O-CG 3.34Å; Q390-M394 PolarHBondContact O-N 3.47Å |
| 391 | E | 96.9 | Very high | 97.2 | Very high | 128 Ų | 128 | 112.6 Ų | 112.6 | 60% | 0.598 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.7 | -45.9 | 177.1 | -165.8 | -168.2 | 163 | 0 | 0 | 111.3 | E387 R393 M394 K395 | E387-E391 PolarHBondContact O-N 2.91Å; E391-R393 VanDerWaalsContact C-N 3.32Å; E391-R393 PolarHBondContact O-N 3.11Å; E391-M394 PolarHBondContact O-N 3.11Å; E391-K395 VanDerWaalsContact O-CB 3.28Å; E391-K395 WeakPolarHBondContact O-CB 3.36Å; E391-K395 PolarHBondContact O-N 3.33Å |
| 392 | N | 96.8 | Very high | 97.2 | Very high | 74 Ų | 74 | 111.7 Ų | 111.7 | 40% | 0.396 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 176.1 | -80.4 | -36.7 | 0 | 0 | 0 | 111.9 | L388 Y389 K395 L396 | L388-N392 VanDerWaalsContact CD2-ND2 3.32Å; L388-N392 WeakPolarHBondContact CD2-ND2 3.29Å; L388-N392 WeakPolarHBondContact O-CB 3.48Å; L388-N392 PolarHBondContact O-N 3.48Å; L388-N392 PolarHBondContact O-ND2 3.35Å; L388-N392 VanDerWaalsContact O-ND2 3.12Å; Y389-N392 PolarHBondContact O-N 3.4Å; N392-K395 PolarHBondContact O-N 2.86Å; N392-L396 WeakPolarHBondContact O-CG 3.3Å; N392-L396 PolarHBondContact O-N 2.93Å |
| 393 | R | 96.8 | Very high | 97.1 | Very high | 104 Ų | 104 | 111.6 Ų | 111.6 | 39% | 0.392 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.5 | -48.3 | 174.3 | -175.4 | 170.9 | 74.8 | 144.8 | 6.4 | 111.5 | Y389 Q390 E391 K395 L396 Y397 | Y389-R393 WeakPolarHBondContact O-CB 3.49Å; Y389-R393 PolarHBondContact O-N 3.37Å; Q390-R393 PolarHBondContact O-N 2.98Å; Q390-R393 VanDerWaalsContact OE1-NE 3.09Å; E391-R393 VanDerWaalsContact C-N 3.32Å; E391-R393 PolarHBondContact O-N 3.11Å; R393-K395 PolarHBondContact O-N 3.01Å; R393-L396 PolarHBondContact O-N 2.94Å; R393-Y397 HydrophobicContact CG-CD2 3.95Å; R393-Y397 HydrophobicContact CG-CE2 3.57Å; R393-Y397 VanDerWaalsContact O-CD2 3.22Å; R393-Y397 WeakPolarHBondContact O-CD2 3.31Å; R393-Y397 PolarHBondContact O-N 2.96Å |
| 394 | M | 96.8 | Very high | 97 | Very high | 88 Ų | 88 | 106.8 Ų | 106.8 | 43% | 0.433 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.4 | -34.5 | 176.9 | -68.2 | -53.3 | -63 | 0 | 0 | 113.2 | Q390 E391 Y397 R398 | Q390-M394 WeakPolarHBondContact O-CG 3.34Å; Q390-M394 PolarHBondContact O-N 3.47Å; E391-M394 PolarHBondContact O-N 3.11Å; M394-Y397 PolarHBondContact O-N 2.86Å; M394-Y397 HydrophobicContact SD-CD2 4.33Å; M394-R398 VanDerWaalsContact O-CG 3.29Å; M394-R398 WeakPolarHBondContact O-CG 3.46Å; M394-R398 PolarHBondContact O-N 3.42Å |
| 395 | K | 97.9 | Very high | 96.9 | Very high | 113 Ų | 113 | 106.9 Ų | 106.9 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.3 | -38 | 175.6 | -171.6 | 175.6 | -174.3 | 172.8 | 0 | 111.8 | E391 N392 R393 K399 | E391-K395 VanDerWaalsContact O-CB 3.28Å; E391-K395 WeakPolarHBondContact O-CB 3.36Å; E391-K395 PolarHBondContact O-N 3.33Å; N392-K395 PolarHBondContact O-N 2.86Å; R393-K395 PolarHBondContact O-N 3.01Å; K395-K399 WeakPolarHBondContact O-CG 3.49Å; K395-K399 PolarHBondContact O-N 3.49Å; K395-K399 VanDerWaalsContact O-N 3.14Å |
| 396 | L | 97.3 | Very high | 96.9 | Very high | 116 Ų | 116 | 106.2 Ų | 106.2 | 61% | 0.607 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.3 | -47.1 | 172.3 | -70.7 | 170.4 | 0 | 0 | 0 | 111.5 | N392 R393 R398 K399 L400 | N392-L396 WeakPolarHBondContact O-CG 3.3Å; N392-L396 PolarHBondContact O-N 2.93Å; R393-L396 PolarHBondContact O-N 2.94Å; L396-R398 VanDerWaalsContact C-N 3.33Å; L396-R398 PolarHBondContact O-N 3.44Å; L396-K399 WeakPolarHBondContact O-CB 3.12Å; L396-K399 PolarHBondContact O-N 3.32Å; L396-K399 VanDerWaalsContact O-N 3.14Å; L396-L400 PolarHBondContact O-N 3.4Å |
| 397 | Y | 95.8 | Very high | 96.8 | Very high | 135 Ų | 135 | 110.2 Ų | 110.2 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.3 | -42 | 175.6 | -78 | -57.1 | 0 | 0 | 0 | 112.9 | R393 M394 L400 L401 | R393-Y397 HydrophobicContact CG-CD2 3.95Å; R393-Y397 HydrophobicContact CG-CE2 3.57Å; R393-Y397 VanDerWaalsContact O-CD2 3.22Å; R393-Y397 WeakPolarHBondContact O-CD2 3.31Å; R393-Y397 PolarHBondContact O-N 2.96Å; M394-Y397 PolarHBondContact O-N 2.86Å; M394-Y397 HydrophobicContact SD-CD2 4.33Å; Y397-L400 PolarHBondContact O-N 2.97Å; Y397-L401 WeakPolarHBondContact O-CB 3.3Å; Y397-L401 PolarHBondContact O-N 3.22Å |
| 398 | R | 97.8 | Very high | 96.7 | Very high | 167 Ų | 167 | 110.1 Ų | 110.1 | 63% | 0.63 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.7 | -40.8 | 175.1 | -72.5 | 172.2 | -171.8 | 163.2 | 4.1 | 112.5 | M394 L396 V402 | M394-R398 VanDerWaalsContact O-CG 3.29Å; M394-R398 WeakPolarHBondContact O-CG 3.46Å; M394-R398 PolarHBondContact O-N 3.42Å; L396-R398 VanDerWaalsContact C-N 3.33Å; L396-R398 PolarHBondContact O-N 3.44Å; R398-V402 WeakPolarHBondContact O-CG2 3.37Å; R398-V402 PolarHBondContact O-N 3.17Å; R398-V402 VanDerWaalsContact O-N 3.11Å |
| 399 | K | 97.9 | Very high | 96.6 | Very high | 130 Ų | 130 | 109.7 Ų | 109.7 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.5 | -48.7 | 174.7 | -76.9 | 177.6 | 173.3 | -169 | 0 | 111.3 | K395 L396 L401 V402 E403 | K395-K399 WeakPolarHBondContact O-CG 3.49Å; K395-K399 PolarHBondContact O-N 3.49Å; K395-K399 VanDerWaalsContact O-N 3.14Å; L396-K399 WeakPolarHBondContact O-CB 3.12Å; L396-K399 PolarHBondContact O-N 3.32Å; L396-K399 VanDerWaalsContact O-N 3.14Å; K399-L401 VanDerWaalsContact C-N 3.3Å; K399-L401 PolarHBondContact O-N 3.37Å; K399-V402 PolarHBondContact O-N 3.41Å; K399-E403 WeakPolarHBondContact O-CB 3.38Å; K399-E403 PolarHBondContact O-N 3.35Å |
| 400 | L | 96.8 | Very high | 96.7 | Very high | 115 Ų | 115 | 106.7 Ų | 106.7 | 60% | 0.602 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.1 | -41.1 | 179.4 | -174.9 | 68.4 | 0 | 0 | 0 | 111.8 | L396 Y397 E403 G404 | L396-L400 PolarHBondContact O-N 3.4Å; Y397-L400 PolarHBondContact O-N 2.97Å; L400-E403 PolarHBondContact O-N 3.46Å; L400-G404 PolarHBondContact O-N 2.89Å |
| 401 | L | 96.4 | Very high | 96.6 | Very high | 114 Ų | 114 | 109.2 Ų | 109.2 | 60% | 0.597 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.2 | -44.2 | 176.1 | -177.1 | 65.1 | 0 | 0 | 0 | 112.3 | Y397 K399 N405 | Y397-L401 WeakPolarHBondContact O-CB 3.3Å; Y397-L401 PolarHBondContact O-N 3.22Å; K399-L401 VanDerWaalsContact C-N 3.3Å; K399-L401 PolarHBondContact O-N 3.37Å; L401-N405 WeakPolarHBondContact O-CB 3.4Å; L401-N405 PolarHBondContact O-N 3.46Å; L401-N405 PolarHBondContact O-ND2 3.13Å |
| 402 | V | 97.4 | Very high | 96.6 | Very high | 102 Ų | 102 | 110 Ų | 110 | 62% | 0.618 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.2 | -41.1 | 176.9 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | R398 K399 N405 Y406 | R398-V402 WeakPolarHBondContact O-CG2 3.37Å; R398-V402 PolarHBondContact O-N 3.17Å; R398-V402 VanDerWaalsContact O-N 3.11Å; K399-V402 PolarHBondContact O-N 3.41Å; V402-N405 PolarHBondContact O-N 3.44Å; V402-Y406 PolarHBondContact O-N 3.48Å |
| 403 | E | 95.9 | Very high | 96.6 | Very high | 108 Ų | 108 | 111.4 Ų | 111.4 | 51% | 0.505 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.4 | -43.4 | 177.5 | -175 | 167 | -177 | 0 | 0 | 111.7 | K399 L400 N405 Y406 W407 | K399-E403 WeakPolarHBondContact O-CB 3.38Å; K399-E403 PolarHBondContact O-N 3.35Å; L400-E403 PolarHBondContact O-N 3.46Å; E403-N405 VanDerWaalsContact C-N 3.35Å; E403-N405 PolarHBondContact O-N 2.86Å; E403-Y406 WeakPolarHBondContact O-CB 3.43Å; E403-Y406 PolarHBondContact O-N 3.26Å; E403-Y406 VanDerWaalsContact O-N 3.16Å; E403-W407 PolarHBondContact O-N 3.41Å |
| 404 | G | 96.9 | Very high | 96.6 | Very high | 31 Ų | 31 | 112.1 Ų | 112.1 | 32% | 0.32 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.6 | -43.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L400 Y406 W407 L408 | L400-G404 PolarHBondContact O-N 2.89Å; G404-Y406 VanDerWaalsContact C-N 3.34Å; G404-Y406 PolarHBondContact O-N 2.96Å; G404-W407 PolarHBondContact O-N 2.73Å; G404-L408 WeakPolarHBondContact O-CG 3.32Å; G404-L408 PolarHBondContact O-N 2.99Å |
| 405 | N | 95.8 | Very high | 96.6 | Very high | 92 Ų | 92 | 111 Ų | 111 | 49% | 0.492 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.7 | -37.9 | 174.9 | -69.6 | -15.3 | 0 | 0 | 0 | 112.5 | L401 V402 E403 L408 E409 | L401-N405 WeakPolarHBondContact O-CB 3.4Å; L401-N405 PolarHBondContact O-N 3.46Å; L401-N405 PolarHBondContact O-ND2 3.13Å; V402-N405 PolarHBondContact O-N 3.44Å; E403-N405 VanDerWaalsContact C-N 3.35Å; E403-N405 PolarHBondContact O-N 2.86Å; N405-L408 PolarHBondContact O-N 3.47Å; N405-E409 PolarHBondContact O-N 2.9Å |
| 406 | Y | 96.1 | Very high | 96.6 | Very high | 117 Ų | 117 | 112.6 Ų | 112.6 | 46% | 0.459 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 174.6 | 171 | -96.6 | 0 | 0 | 0 | 112.1 | V402 E403 G404 E409 K410 | V402-Y406 PolarHBondContact O-N 3.48Å; E403-Y406 WeakPolarHBondContact O-CB 3.43Å; E403-Y406 PolarHBondContact O-N 3.26Å; E403-Y406 VanDerWaalsContact O-N 3.16Å; G404-Y406 VanDerWaalsContact C-N 3.34Å; G404-Y406 PolarHBondContact O-N 2.96Å; Y406-E409 PolarHBondContact O-N 3.46Å; Y406-K410 HydrophobicContact CE1-CG 4.24Å; Y406-K410 HydrophobicContact CE2-CG 4.42Å; Y406-K410 VanDerWaalsContact CZ-CE 3.45Å; Y406-K410 VanDerWaalsContact O-CG 3.3Å; Y406-K410 WeakPolarHBondContact O-CG 3.31Å; Y406-K410 PolarHBondContact O-N 3.15Å; Y406-K410 VanDerWaalsContact O-N 3.12Å; Y406-K410 WeakPolarHBondContact OH-CE 3.4Å |
| 407 | W | 95.3 | Very high | 96.6 | Very high | 154 Ų | 154 | 110.7 Ų | 110.7 | 58% | 0.583 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.4 | -44.3 | 174 | -76.8 | 112.4 | 0 | 0 | 0 | 112 | E403 G404 E409 K410 E411 | E403-W407 PolarHBondContact O-N 3.41Å; G404-W407 PolarHBondContact O-N 2.73Å; W407-E409 PolarHBondContact O-N 3.41Å; W407-K410 WeakPolarHBondContact O-CB 3.44Å; W407-K410 PolarHBondContact O-N 3.47Å; W407-K410 VanDerWaalsContact O-N 3.1Å; W407-E411 WeakPolarHBondContact O-CB 3.27Å; W407-E411 PolarHBondContact O-N 2.89Å |
| 408 | L | 95.5 | Very high | 96.6 | Very high | 103 Ų | 103 | 109.3 Ų | 109.3 | 54% | 0.539 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 174.7 | -72.5 | 167.7 | 0 | 0 | 0 | 112.3 | G404 N405 K410 E411 E412 | G404-L408 WeakPolarHBondContact O-CG 3.32Å; G404-L408 PolarHBondContact O-N 2.99Å; N405-L408 PolarHBondContact O-N 3.47Å; L408-K410 PolarHBondContact O-N 3.11Å; L408-E411 PolarHBondContact O-N 2.87Å; L408-E412 PolarHBondContact O-N 3.31Å |
| 409 | E | 96.4 | Very high | 96.6 | Very high | 90 Ų | 90 | 107.1 Ų | 107.1 | 42% | 0.421 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.3 | -29.1 | 176.1 | -162.4 | -158.2 | 166.5 | 0 | 0 | 112.3 | N405 Y406 W407 K413 | N405-E409 PolarHBondContact O-N 2.9Å; Y406-E409 PolarHBondContact O-N 3.46Å; W407-E409 PolarHBondContact O-N 3.41Å; E409-K413 VanDerWaalsContact CD-NZ 3.28Å; E409-K413 VanDerWaalsContact O-CD 3.31Å; E409-K413 WeakPolarHBondContact O-CD 3.23Å; E409-K413 VanDerWaalsContact O-CG 3.25Å; E409-K413 WeakPolarHBondContact O-CG 3.3Å; E409-K413 PolarHBondContact O-N 3.4Å; E409-K413 WeakPolarHBondContact OE1-CE 3.35Å; E409-K413 IonicContact OE1-NZ 2.87Å; E409-K413 PolarHBondContact OE1-NZ 2.94Å |
| 410 | K | 96.7 | Very high | 96.6 | Very high | 85 Ų | 85 | 105.2 Ų | 105.2 | 37% | 0.37 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -77.5 | -40.7 | 174.1 | -70.2 | -69.7 | -178.4 | 172.8 | 0 | 111.9 | Y406 W407 L408 K413 L414 | Y406-K410 HydrophobicContact CE1-CG 4.24Å; Y406-K410 HydrophobicContact CE2-CG 4.42Å; Y406-K410 VanDerWaalsContact CZ-CE 3.45Å; Y406-K410 VanDerWaalsContact O-CG 3.3Å; Y406-K410 WeakPolarHBondContact O-CG 3.31Å; Y406-K410 PolarHBondContact O-N 3.15Å; Y406-K410 VanDerWaalsContact O-N 3.12Å; Y406-K410 WeakPolarHBondContact OH-CE 3.4Å; W407-K410 WeakPolarHBondContact O-CB 3.44Å; W407-K410 PolarHBondContact O-N 3.47Å; W407-K410 VanDerWaalsContact O-N 3.1Å; L408-K410 PolarHBondContact O-N 3.11Å; K410-K413 PolarHBondContact O-N 3.37Å; K410-L414 WeakPolarHBondContact O-CG 3.43Å; K410-L414 PolarHBondContact O-N 3.17Å |
| 411 | E | 95.8 | Very high | 96.6 | Very high | 127 Ų | 127 | 104.2 Ų | 104.2 | 59% | 0.593 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.3 | -44.5 | 176.4 | -172 | 166.5 | -144.3 | 0 | 0 | 111.4 | W407 L408 K413 L414 S415 | W407-E411 WeakPolarHBondContact O-CB 3.27Å; W407-E411 PolarHBondContact O-N 2.89Å; L408-E411 PolarHBondContact O-N 2.87Å; E411-K413 VanDerWaalsContact C-N 3.33Å; E411-K413 PolarHBondContact O-N 2.97Å; E411-L414 PolarHBondContact O-N 3.35Å; E411-L414 VanDerWaalsContact O-N 3.13Å; E411-S415 PolarHBondContact O-N 2.89Å |
| 412 | E | 96.5 | Very high | 96.6 | Very high | 144 Ų | 144 | 102.3 Ų | 102.3 | 67% | 0.673 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.4 | -44.9 | 173.5 | -172.3 | -169.7 | 166.7 | 0 | 0 | 111.8 | L408 L414 S415 K416 | L408-E412 PolarHBondContact O-N 3.31Å; E412-L414 VanDerWaalsContact C-N 3.33Å; E412-L414 PolarHBondContact O-N 2.94Å; E412-S415 PolarHBondContact O-N 3.11Å; E412-K416 PolarHBondContact O-N 2.83Å |
| 413 | K | 97.8 | Very high | 96.6 | Very high | 104 Ų | 104 | 103.1 Ų | 103.1 | 45% | 0.452 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.5 | -35.5 | 176.9 | -73.2 | 169.4 | -169.6 | 170.9 | 0 | 112.5 | E409 K410 E411 V417 | E409-K413 VanDerWaalsContact CD-NZ 3.28Å; E409-K413 VanDerWaalsContact O-CD 3.31Å; E409-K413 WeakPolarHBondContact O-CD 3.23Å; E409-K413 VanDerWaalsContact O-CG 3.25Å; E409-K413 WeakPolarHBondContact O-CG 3.3Å; E409-K413 PolarHBondContact O-N 3.4Å; E409-K413 WeakPolarHBondContact OE1-CE 3.35Å; E409-K413 IonicContact OE1-NZ 2.87Å; E409-K413 PolarHBondContact OE1-NZ 2.94Å; K410-K413 PolarHBondContact O-N 3.37Å; E411-K413 VanDerWaalsContact C-N 3.33Å; E411-K413 PolarHBondContact O-N 2.97Å; K413-V417 WeakPolarHBondContact O-CG2 3.41Å; K413-V417 PolarHBondContact O-N 3.41Å; K413-V417 VanDerWaalsContact O-N 3.17Å |
| 414 | L | 96.8 | Very high | 96.7 | Very high | 119 Ų | 119 | 99.5 Ų | 99.5 | 62% | 0.623 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -70.5 | -43.1 | 174.8 | -72.8 | 170.5 | 0 | 0 | 0 | 111.3 | K410 E411 E412 K416 V417 D418 | K410-L414 WeakPolarHBondContact O-CG 3.43Å; K410-L414 PolarHBondContact O-N 3.17Å; E411-L414 PolarHBondContact O-N 3.35Å; E411-L414 VanDerWaalsContact O-N 3.13Å; E412-L414 VanDerWaalsContact C-N 3.33Å; E412-L414 PolarHBondContact O-N 2.94Å; L414-K416 VanDerWaalsContact C-N 3.3Å; L414-K416 PolarHBondContact O-N 2.98Å; L414-V417 CarbonylContact O-C 3.54Å; L414-V417 PolarHBondContact O-N 2.74Å; L414-D418 PolarHBondContact O-N 3.36Å |
| 415 | S | 96 | Very high | 96.7 | Very high | 64 Ų | 64 | 101.8 Ų | 101.8 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -56.1 | -45.1 | 174.1 | -168.3 | 0 | 0 | 0 | 0 | 111.3 | E411 E412 V417 D418 E419 | E411-S415 PolarHBondContact O-N 2.89Å; E412-S415 PolarHBondContact O-N 3.11Å; S415-V417 VanDerWaalsContact C-N 3.33Å; S415-V417 PolarHBondContact O-N 2.79Å; S415-D418 PolarHBondContact O-N 2.91Å; S415-E419 WeakPolarHBondContact O-CG 3.48Å; S415-E419 PolarHBondContact O-N 3.49Å |
| 416 | K | 97.8 | Very high | 96.7 | Very high | 148 Ų | 148 | 99.2 Ų | 99.2 | 64% | 0.643 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.7 | -35.5 | 175.8 | -174.4 | 170.8 | -176.3 | 169.5 | 0 | 113.3 | E412 L414 T420 | E412-K416 PolarHBondContact O-N 2.83Å; L414-K416 VanDerWaalsContact C-N 3.3Å; L414-K416 PolarHBondContact O-N 2.98Å; K416-T420 WeakPolarHBondContact O-CG2 3.23Å; K416-T420 PolarHBondContact O-N 3.15Å |
| 417 | V | 97.8 | Very high | 96.8 | Very high | 75 Ų | 75 | 99 Ų | 99 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.8 | -42.2 | 174.1 | 169 | 0 | 0 | 0 | 0 | 110.4 | K413 L414 S415 E419 T420 I421 | K413-V417 WeakPolarHBondContact O-CG2 3.41Å; K413-V417 PolarHBondContact O-N 3.41Å; K413-V417 VanDerWaalsContact O-N 3.17Å; L414-V417 CarbonylContact O-C 3.54Å; L414-V417 PolarHBondContact O-N 2.74Å; S415-V417 VanDerWaalsContact C-N 3.33Å; S415-V417 PolarHBondContact O-N 2.79Å; V417-E419 PolarHBondContact O-N 2.88Å; V417-T420 PolarHBondContact O-N 2.9Å; V417-T420 VanDerWaalsContact O-N 3.11Å; V417-T420 PolarHBondContact O-OG1 3.35Å; V417-I421 HydrophobicContact CG1-CD1 3.77Å; V417-I421 HydrophobicContact CG1-CG1 4.34Å; V417-I421 WeakPolarHBondContact O-CG1 3.27Å; V417-I421 PolarHBondContact O-N 3.39Å |
| 418 | D | 96.2 | Very high | 96.9 | Very high | 106 Ų | 106 | 96.4 Ų | 96.4 | 57% | 0.567 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.2 | -41.4 | 177.6 | -164.2 | 59.3 | 0 | 0 | 0 | 112.1 | L414 S415 T420 I421 S422 | L414-D418 PolarHBondContact O-N 3.36Å; S415-D418 PolarHBondContact O-N 2.91Å; D418-T420 VanDerWaalsContact C-N 3.34Å; D418-T420 PolarHBondContact O-N 2.85Å; D418-I421 PolarHBondContact O-N 2.98Å; D418-I421 VanDerWaalsContact O-N 3.14Å; D418-S422 WeakPolarHBondContact O-CB 3.22Å; D418-S422 PolarHBondContact O-N 2.9Å |
| 419 | E | 97.1 | Very high | 96.9 | Very high | 122 Ų | 122 | 94.7 Ų | 94.7 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -53.7 | -48.6 | 169.7 | -76.5 | 173.6 | -167.3 | 0 | 0 | 111.6 | S415 V417 I421 S422 H423 | S415-E419 WeakPolarHBondContact O-CG 3.48Å; S415-E419 PolarHBondContact O-N 3.49Å; V417-E419 PolarHBondContact O-N 2.88Å; E419-I421 VanDerWaalsContact C-N 3.35Å; E419-I421 PolarHBondContact O-N 2.85Å; E419-S422 PolarHBondContact O-N 2.86Å; E419-S422 PolarHBondContact O-OG 3.48Å; E419-H423 PolarHBondContact O-N 2.82Å |
| 420 | T | 97.6 | Very high | 97 | Very high | 90 Ų | 90 | 93.5 Ų | 93.5 | 55% | 0.552 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.6 | -33.7 | 177.9 | 61.4 | 0 | 0 | 0 | 0 | 113.4 | K416 V417 D418 G424 | K416-T420 WeakPolarHBondContact O-CG2 3.23Å; K416-T420 PolarHBondContact O-N 3.15Å; V417-T420 PolarHBondContact O-N 2.9Å; V417-T420 VanDerWaalsContact O-N 3.11Å; V417-T420 PolarHBondContact O-OG1 3.35Å; D418-T420 VanDerWaalsContact C-N 3.34Å; D418-T420 PolarHBondContact O-N 2.85Å; T420-G424 PolarHBondContact O-N 3.42Å |
| 421 | I | 97.7 | Very high | 97 | Very high | 93 Ų | 93 | 93.1 Ų | 93.1 | 48% | 0.477 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68 | -42.7 | 174.5 | -69.4 | 168.8 | 0 | 0 | 0 | 110 | V417 D418 E419 H423 G424 T425 | V417-I421 HydrophobicContact CG1-CD1 3.77Å; V417-I421 HydrophobicContact CG1-CG1 4.34Å; V417-I421 WeakPolarHBondContact O-CG1 3.27Å; V417-I421 PolarHBondContact O-N 3.39Å; D418-I421 PolarHBondContact O-N 2.98Å; D418-I421 VanDerWaalsContact O-N 3.14Å; E419-I421 VanDerWaalsContact C-N 3.35Å; E419-I421 PolarHBondContact O-N 2.85Å; I421-H423 VanDerWaalsContact C-N 3.34Å; I421-H423 PolarHBondContact O-N 3.23Å; I421-G424 PolarHBondContact O-N 2.84Å; I421-T425 VanDerWaalsContact O-CB 3.25Å; I421-T425 WeakPolarHBondContact O-CB 3.23Å; I421-T425 PolarHBondContact O-N 3.18Å; I421-T425 PolarHBondContact O-OG1 3.2Å |
| 422 | S | 95.8 | Very high | 97.1 | Very high | 74 Ų | 74 | 92.5 Ų | 92.5 | 52% | 0.517 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 177.8 | 80.1 | 0 | 0 | 0 | 0 | 111.5 | D418 E419 T425 G426 | D418-S422 WeakPolarHBondContact O-CB 3.22Å; D418-S422 PolarHBondContact O-N 2.9Å; E419-S422 PolarHBondContact O-N 2.86Å; E419-S422 PolarHBondContact O-OG 3.48Å; S422-T425 PolarHBondContact O-N 3.42Å; S422-G426 PolarHBondContact O-N 3.23Å |
| 423 | H | 96.9 | Very high | 97.1 | Very high | 119 Ų | 119 | 91.6 Ų | 91.6 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.6 | -55.3 | 173.9 | -176.4 | -81.2 | 0 | 0 | 0 | 111.6 | E419 I421 T425 G426 E427 | E419-H423 PolarHBondContact O-N 2.82Å; I421-H423 VanDerWaalsContact C-N 3.34Å; I421-H423 PolarHBondContact O-N 3.23Å; H423-T425 VanDerWaalsContact C-N 3.26Å; H423-T425 PolarHBondContact O-N 3.48Å; H423-G426 WeakPolarHBondContact O-CA 3.37Å; H423-G426 PolarHBondContact O-N 2.95Å; H423-E427 IonicContact CE1-OE1 3.97Å; H423-E427 PolarHBondContact CE1-OE1 2.81Å; H423-E427 VanDerWaalsContact CE1-OE1 3.3Å; H423-E427 IonicContact CE1-OE2 2.59Å; H423-E427 IonicContact ND1-OE1 2.58Å; H423-E427 IonicContact ND1-OE2 2.67Å; H423-E427 PolarHBondContact ND1-OE2 2.9Å; H423-E427 PolarHBondContact O-N 3.4Å |
| 424 | G | 97.8 | Very high | 97.1 | Very high | 33 Ų | 33 | 94.4 Ų | 94.4 | 34% | 0.34 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62 | -32.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T420 I421 L428 | T420-G424 PolarHBondContact O-N 3.42Å; I421-G424 PolarHBondContact O-N 2.84Å; G424-L428 VanDerWaalsContact O-CB 3.3Å; G424-L428 WeakPolarHBondContact O-CB 3.24Å; G424-L428 PolarHBondContact O-N 3.43Å |
| 425 | T | 96.9 | Very high | 97.1 | Very high | 79 Ų | 79 | 91.4 Ų | 91.4 | 49% | 0.485 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.6 | -41.8 | 173.4 | -58 | 0 | 0 | 0 | 0 | 111.2 | I421 S422 H423 L428 E429 | I421-T425 VanDerWaalsContact O-CB 3.25Å; I421-T425 WeakPolarHBondContact O-CB 3.23Å; I421-T425 PolarHBondContact O-N 3.18Å; I421-T425 PolarHBondContact O-OG1 3.2Å; S422-T425 PolarHBondContact O-N 3.42Å; H423-T425 VanDerWaalsContact C-N 3.26Å; H423-T425 PolarHBondContact O-N 3.48Å; T425-L428 PolarHBondContact O-N 2.89Å; T425-E429 PolarHBondContact O-N 2.93Å |
| 426 | G | 96.9 | Very high | 97.2 | Very high | 37 Ų | 37 | 94 Ų | 94 | 38% | 0.381 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.3 | -47.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S422 H423 L428 E429 T430 | S422-G426 PolarHBondContact O-N 3.23Å; H423-G426 WeakPolarHBondContact O-CA 3.37Å; H423-G426 PolarHBondContact O-N 2.95Å; G426-L428 PolarHBondContact O-N 3.47Å; G426-E429 PolarHBondContact O-N 3.49Å; G426-T430 WeakPolarHBondContact O-CG2 3.34Å; G426-T430 PolarHBondContact O-N 2.89Å |
| 427 | E | 97.3 | Very high | 97.2 | Very high | 113 Ų | 113 | 90.9 Ų | 90.9 | 53% | 0.528 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.7 | -46.9 | 175.3 | -69.5 | -177 | 130.7 | 0 | 0 | 111.7 | H423 E429 T430 C431 | H423-E427 IonicContact CE1-OE1 3.97Å; H423-E427 PolarHBondContact CE1-OE1 2.81Å; H423-E427 VanDerWaalsContact CE1-OE1 3.3Å; H423-E427 IonicContact CE1-OE2 2.59Å; H423-E427 IonicContact ND1-OE1 2.58Å; H423-E427 IonicContact ND1-OE2 2.67Å; H423-E427 PolarHBondContact ND1-OE2 2.9Å; H423-E427 PolarHBondContact O-N 3.4Å; E427-E429 VanDerWaalsContact C-N 3.31Å; E427-E429 PolarHBondContact O-N 3.44Å; E427-T430 PolarHBondContact O-N 3.41Å; E427-T430 VanDerWaalsContact O-N 3.12Å; E427-T430 PolarHBondContact O-OG1 3.3Å; E427-C431 PolarHBondContact O-N 3.39Å |
| 428 | L | 97.1 | Very high | 97.2 | Very high | 99 Ų | 99 | 91.5 Ų | 91.5 | 52% | 0.518 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.5 | -39.2 | 177.5 | -172.2 | 150.2 | 0 | 0 | 0 | 112 | G424 T425 G426 C431 R432 | G424-L428 VanDerWaalsContact O-CB 3.3Å; G424-L428 WeakPolarHBondContact O-CB 3.24Å; G424-L428 PolarHBondContact O-N 3.43Å; T425-L428 PolarHBondContact O-N 2.89Å; G426-L428 PolarHBondContact O-N 3.47Å; L428-C431 PolarHBondContact O-N 3.12Å; L428-R432 WeakPolarHBondContact O-CB 3.31Å; L428-R432 PolarHBondContact O-N 3.24Å |
| 429 | E | 97 | Very high | 97.3 | Very high | 68 Ų | 68 | 92.1 Ų | 92.1 | 32% | 0.318 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65 | -39 | 175 | -161.4 | 65 | -123.5 | 0 | 0 | 111.9 | T425 G426 E427 R432 K433 | T425-E429 PolarHBondContact O-N 2.93Å; G426-E429 PolarHBondContact O-N 3.49Å; E427-E429 VanDerWaalsContact C-N 3.31Å; E427-E429 PolarHBondContact O-N 3.44Å; E429-R432 PolarHBondContact O-N 2.92Å; E429-R432 IonicContact OE1-CZ 3.78Å; E429-R432 IonicContact OE1-NE 3.77Å; E429-R432 IonicContact OE1-NH1 2.92Å; E429-R432 PolarHBondContact OE1-NH1 2.72Å; E429-R432 IonicContact OE2-CZ 2.85Å; E429-R432 IonicContact OE2-NH1 3.12Å; E429-R432 PolarHBondContact OE2-NH1 2.78Å; E429-R432 IonicContact OE2-NH2 2.69Å; E429-K433 WeakPolarHBondContact O-CG 3.39Å; E429-K433 PolarHBondContact O-N 3.18Å |
| 430 | T | 97.7 | Very high | 97.3 | Very high | 65 Ų | 65 | 90.8 Ų | 90.8 | 40% | 0.399 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.7 | -38.3 | 174.1 | 69.6 | 0 | 0 | 0 | 0 | 112.4 | G426 E427 K433 R434 | G426-T430 WeakPolarHBondContact O-CG2 3.34Å; G426-T430 PolarHBondContact O-N 2.89Å; E427-T430 PolarHBondContact O-N 3.41Å; E427-T430 VanDerWaalsContact O-N 3.12Å; E427-T430 PolarHBondContact O-OG1 3.3Å; T430-K433 PolarHBondContact O-N 3.44Å; T430-R434 WeakPolarHBondContact O-CG 3.37Å; T430-R434 PolarHBondContact O-N 2.96Å; T430-R434 VanDerWaalsContact O-N 3.15Å |
| 431 | C | 96.4 | Very high | 97.3 | Very high | 77 Ų | 77 | 91.3 Ų | 91.3 | 52% | 0.52 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 174.7 | -170.5 | 0 | 0 | 0 | 0 | 111.1 | E427 L428 K433 R434 A435 | E427-C431 PolarHBondContact O-N 3.39Å; L428-C431 PolarHBondContact O-N 3.12Å; C431-K433 VanDerWaalsContact C-N 3.32Å; C431-K433 PolarHBondContact O-N 3.34Å; C431-R434 PolarHBondContact O-N 3.2Å; C431-A435 PolarHBondContact O-N 2.77Å |
| 432 | R | 97.7 | Very high | 97.2 | Very high | 114 Ų | 114 | 93.7 Ų | 93.7 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.4 | -39.5 | 176.4 | -167.7 | -169.9 | -61.2 | 148.8 | 1.4 | 112.5 | L428 E429 A435 K436 | L428-R432 WeakPolarHBondContact O-CB 3.31Å; L428-R432 PolarHBondContact O-N 3.24Å; E429-R432 PolarHBondContact O-N 2.92Å; E429-R432 IonicContact OE1-CZ 3.78Å; E429-R432 IonicContact OE1-NE 3.77Å; E429-R432 IonicContact OE1-NH1 2.92Å; E429-R432 PolarHBondContact OE1-NH1 2.72Å; E429-R432 IonicContact OE2-CZ 2.85Å; E429-R432 IonicContact OE2-NH1 3.12Å; E429-R432 PolarHBondContact OE2-NH1 2.78Å; E429-R432 IonicContact OE2-NH2 2.69Å; R432-A435 PolarHBondContact O-N 3.37Å; R432-K436 WeakPolarHBondContact O-CG 3.41Å; R432-K436 PolarHBondContact O-N 2.87Å; R432-K436 VanDerWaalsContact O-N 3.17Å |
| 433 | K | 97.8 | Very high | 97.3 | Very high | 124 Ų | 124 | 95.3 Ų | 95.3 | 54% | 0.539 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.5 | -52.1 | 174.5 | -72.8 | 173.7 | -178.1 | 178.2 | 0 | 111.4 | E429 T430 C431 A435 K436 D437 | E429-K433 WeakPolarHBondContact O-CG 3.39Å; E429-K433 PolarHBondContact O-N 3.18Å; T430-K433 PolarHBondContact O-N 3.44Å; C431-K433 VanDerWaalsContact C-N 3.32Å; C431-K433 PolarHBondContact O-N 3.34Å; K433-A435 VanDerWaalsContact C-N 3.25Å; K433-A435 PolarHBondContact O-N 2.8Å; K433-K436 WeakPolarHBondContact O-CB 3.45Å; K433-K436 PolarHBondContact O-N 2.84Å; K433-D437 VanDerWaalsContact O-CG 3.23Å; K433-D437 PolarHBondContact O-N 3.22Å |
| 434 | R | 97.6 | Very high | 97.4 | Very high | 164 Ų | 164 | 96.1 Ų | 96.1 | 62% | 0.619 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -57.7 | -37.1 | 177.3 | -64.6 | 176.2 | -164 | 154.2 | 6.9 | 112.8 | T430 C431 D437 L438 | T430-R434 WeakPolarHBondContact O-CG 3.37Å; T430-R434 PolarHBondContact O-N 2.96Å; T430-R434 VanDerWaalsContact O-N 3.15Å; C431-R434 PolarHBondContact O-N 3.2Å; R434-D437 PolarHBondContact O-N 2.94Å; R434-L438 WeakPolarHBondContact O-CG 3.33Å; R434-L438 PolarHBondContact O-N 2.98Å; R434-L438 VanDerWaalsContact O-N 3.09Å |
| 435 | A | 96 | Very high | 97.4 | Very high | 55 Ų | 55 | 98 Ų | 98 | 46% | 0.455 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | C431 R432 K433 L438 E439 | C431-A435 PolarHBondContact O-N 2.77Å; R432-A435 PolarHBondContact O-N 3.37Å; K433-A435 VanDerWaalsContact C-N 3.25Å; K433-A435 PolarHBondContact O-N 2.8Å; A435-L438 PolarHBondContact O-N 3.3Å; A435-E439 WeakPolarHBondContact O-CB 3.34Å; A435-E439 PolarHBondContact O-N 2.83Å |
| 436 | K | 98.1 | Very high | 97.4 | Very high | 118 Ų | 118 | 99.2 Ų | 99.2 | 51% | 0.513 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 174.1 | -69.9 | 179 | 175.2 | -170.5 | 0 | 112.4 | R432 K433 L438 E439 E440 | R432-K436 WeakPolarHBondContact O-CG 3.41Å; R432-K436 PolarHBondContact O-N 2.87Å; R432-K436 VanDerWaalsContact O-N 3.17Å; K433-K436 WeakPolarHBondContact O-CB 3.45Å; K433-K436 PolarHBondContact O-N 2.84Å; K436-L438 PolarHBondContact O-N 3.33Å; K436-E439 WeakPolarHBondContact O-CB 3.36Å; K436-E439 PolarHBondContact O-N 3.23Å; K436-E439 VanDerWaalsContact O-N 3.13Å; K436-E440 PolarHBondContact O-N 3.43Å |
| 437 | D | 97.5 | Very high | 97.5 | Very high | 83 Ų | 83 | 103.2 Ų | 103.2 | 44% | 0.444 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.1 | -32.1 | 178.1 | -58.7 | -30 | 0 | 0 | 0 | 112.1 | K433 R434 Q441 | K433-D437 VanDerWaalsContact O-CG 3.23Å; K433-D437 PolarHBondContact O-N 3.22Å; R434-D437 PolarHBondContact O-N 2.94Å; D437-Q441 VanDerWaalsContact O-CG 3.29Å; D437-Q441 WeakPolarHBondContact O-CG 3.46Å; D437-Q441 PolarHBondContact O-N 2.86Å; D437-Q441 PolarHBondContact O-NE2 3.45Å; D437-Q441 VanDerWaalsContact O-NE2 3.07Å |
| 438 | L | 98 | Very high | 97.5 | Very high | 89 Ų | 89 | 104.5 Ų | 104.5 | 47% | 0.466 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -78.1 | -41.6 | 173.6 | -73.6 | 169.6 | 0 | 0 | 0 | 112.4 | R434 A435 K436 E440 Q441 F442 | R434-L438 WeakPolarHBondContact O-CG 3.33Å; R434-L438 PolarHBondContact O-N 2.98Å; R434-L438 VanDerWaalsContact O-N 3.09Å; A435-L438 PolarHBondContact O-N 3.3Å; K436-L438 PolarHBondContact O-N 3.33Å; L438-E440 PolarHBondContact O-N 2.86Å; L438-Q441 WeakPolarHBondContact O-CB 3.29Å; L438-Q441 PolarHBondContact O-N 3.08Å; L438-Q441 VanDerWaalsContact O-N 3.09Å; L438-F442 WeakPolarHBondContact O-CD2 3.4Å; L438-F442 PolarHBondContact O-N 3.02Å |
| 439 | E | 97.6 | Very high | 97.6 | Very high | 119 Ų | 119 | 106 Ų | 106 | 56% | 0.556 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -55.8 | -49.8 | 174.5 | -175.3 | 170.4 | -149.7 | 0 | 0 | 110.9 | A435 K436 Q441 F442 E443 | A435-E439 WeakPolarHBondContact O-CB 3.34Å; A435-E439 PolarHBondContact O-N 2.83Å; K436-E439 WeakPolarHBondContact O-CB 3.36Å; K436-E439 PolarHBondContact O-N 3.23Å; K436-E439 VanDerWaalsContact O-N 3.13Å; E439-Q441 VanDerWaalsContact C-N 3.28Å; E439-Q441 PolarHBondContact O-N 2.97Å; E439-F442 PolarHBondContact O-N 2.97Å; E439-F442 VanDerWaalsContact O-N 3.08Å; E439-E443 PolarHBondContact O-N 3.18Å |
| 440 | E | 97.7 | Very high | 97.6 | Very high | 93 Ų | 93 | 107.4 Ų | 107.4 | 44% | 0.435 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -33.3 | 174.5 | -67.2 | -173.6 | -170.4 | 0 | 0 | 113.3 | K436 L438 R444 | K436-E440 PolarHBondContact O-N 3.43Å; L438-E440 PolarHBondContact O-N 2.86Å; E440-R444 WeakPolarHBondContact O-CB 3.35Å; E440-R444 VanDerWaalsContact O-CG 3.3Å; E440-R444 WeakPolarHBondContact O-CG 3.28Å; E440-R444 PolarHBondContact O-N 2.89Å; E440-R444 PolarHBondContact O-NE 3.35Å; E440-R444 IonicContact OE2-CZ 2.67Å; E440-R444 IonicContact OE2-NH1 3.52Å; E440-R444 PolarHBondContact OE2-NH1 3.31Å; E440-R444 IonicContact OE2-NH2 3.91Å |
| 441 | Q | 97.2 | Very high | 97.6 | Very high | 101 Ų | 101 | 106.2 Ų | 106.2 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 173.7 | -78.3 | 174 | 65.6 | 0 | 0 | 111.1 | D437 L438 E439 R444 V445 | D437-Q441 VanDerWaalsContact O-CG 3.29Å; D437-Q441 WeakPolarHBondContact O-CG 3.46Å; D437-Q441 PolarHBondContact O-N 2.86Å; D437-Q441 PolarHBondContact O-NE2 3.45Å; D437-Q441 VanDerWaalsContact O-NE2 3.07Å; L438-Q441 WeakPolarHBondContact O-CB 3.29Å; L438-Q441 PolarHBondContact O-N 3.08Å; L438-Q441 VanDerWaalsContact O-N 3.09Å; E439-Q441 VanDerWaalsContact C-N 3.28Å; E439-Q441 PolarHBondContact O-N 2.97Å; Q441-R444 PolarHBondContact O-N 3.04Å; Q441-V445 VanDerWaalsContact O-CG2 3.32Å; Q441-V445 WeakPolarHBondContact O-CG2 3.33Å; Q441-V445 PolarHBondContact O-N 3.3Å |
| 442 | F | 97 | Very high | 97.7 | Very high | 144 Ų | 144 | 106.9 Ų | 106.9 | 63% | 0.632 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.3 | -42.1 | 175 | -74.4 | -63.3 | 0 | 0 | 0 | 112 | L438 E439 R444 V445 L446 | L438-F442 WeakPolarHBondContact O-CD2 3.4Å; L438-F442 PolarHBondContact O-N 3.02Å; E439-F442 PolarHBondContact O-N 2.97Å; E439-F442 VanDerWaalsContact O-N 3.08Å; F442-R444 PolarHBondContact O-N 2.83Å; F442-V445 PolarHBondContact O-N 3.34Å; F442-L446 WeakPolarHBondContact O-CB 3.31Å; F442-L446 VanDerWaalsContact O-CG 3.27Å; F442-L446 WeakPolarHBondContact O-CG 3.44Å; F442-L446 PolarHBondContact O-N 3.48Å |
| 443 | E | 97.6 | Very high | 97.7 | Very high | 107 Ų | 107 | 106.9 Ų | 106.9 | 50% | 0.5 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.5 | -46.6 | 174.6 | -70.6 | -169.5 | 149.4 | 0 | 0 | 112.2 | E439 V445 L446 H447 | E439-E443 PolarHBondContact O-N 3.18Å; E443-V445 VanDerWaalsContact C-N 3.31Å; E443-V445 PolarHBondContact O-N 2.84Å; E443-L446 PolarHBondContact O-N 2.86Å; E443-H447 PolarHBondContact O-CD2 3.48Å; E443-H447 PolarHBondContact O-N 2.82Å |
| 444 | R | 97.9 | Very high | 97.7 | Very high | 137 Ų | 137 | 105.6 Ų | 105.6 | 52% | 0.517 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.2 | -43.1 | 175.1 | -75.6 | -177.3 | -73.4 | -98.4 | 4.4 | 112 | E440 Q441 F442 F448 | E440-R444 WeakPolarHBondContact O-CB 3.35Å; E440-R444 VanDerWaalsContact O-CG 3.3Å; E440-R444 WeakPolarHBondContact O-CG 3.28Å; E440-R444 PolarHBondContact O-N 2.89Å; E440-R444 PolarHBondContact O-NE 3.35Å; E440-R444 IonicContact OE2-CZ 2.67Å; E440-R444 IonicContact OE2-NH1 3.52Å; E440-R444 PolarHBondContact OE2-NH1 3.31Å; E440-R444 IonicContact OE2-NH2 3.91Å; Q441-R444 PolarHBondContact O-N 3.04Å; F442-R444 PolarHBondContact O-N 2.83Å; R444-F448 WeakPolarHBondContact O-CB 3.11Å; R444-F448 PolarHBondContact O-N 3.17Å; R444-F448 VanDerWaalsContact O-N 3.1Å |
| 445 | V | 98.1 | Very high | 97.7 | Very high | 73 Ų | 73 | 101.5 Ų | 101.5 | 44% | 0.442 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.7 | -42.8 | 178 | 171.5 | 0 | 0 | 0 | 0 | 111.8 | Q441 F442 E443 F448 Y449 | Q441-V445 VanDerWaalsContact O-CG2 3.32Å; Q441-V445 WeakPolarHBondContact O-CG2 3.33Å; Q441-V445 PolarHBondContact O-N 3.3Å; F442-V445 PolarHBondContact O-N 3.34Å; E443-V445 VanDerWaalsContact C-N 3.31Å; E443-V445 PolarHBondContact O-N 2.84Å; V445-F448 WeakPolarHBondContact O-CB 3.24Å; V445-F448 PolarHBondContact O-N 3.42Å; V445-Y449 HydrophobicContact CG1-CD2 3.73Å; V445-Y449 HydrophobicContact CG1-CE2 3.64Å; V445-Y449 VanDerWaalsContact O-CD2 3.26Å; V445-Y449 WeakPolarHBondContact O-CD2 3.43Å; V445-Y449 PolarHBondContact O-N 3.37Å |
| 446 | L | 98 | Very high | 97.8 | Very high | 104 Ų | 104 | 105.4 Ų | 105.4 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 177 | -75.2 | 168.8 | 0 | 0 | 0 | 111.3 | F442 E443 F448 Y449 Q450 | F442-L446 WeakPolarHBondContact O-CB 3.31Å; F442-L446 VanDerWaalsContact O-CG 3.27Å; F442-L446 WeakPolarHBondContact O-CG 3.44Å; F442-L446 PolarHBondContact O-N 3.48Å; E443-L446 PolarHBondContact O-N 2.86Å; L446-F448 VanDerWaalsContact C-N 3.35Å; L446-F448 PolarHBondContact O-N 2.82Å; L446-Y449 PolarHBondContact O-N 2.94Å; L446-Q450 WeakPolarHBondContact O-CB 3.39Å; L446-Q450 VanDerWaalsContact O-CG 3.26Å; L446-Q450 WeakPolarHBondContact O-CG 3.14Å; L446-Q450 PolarHBondContact O-N 2.97Å |
| 447 | H | 97.8 | Very high | 97.7 | Very high | 121 Ų | 121 | 106.3 Ų | 106.3 | 56% | 0.56 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.8 | -38.4 | 176.6 | -75.1 | -44.3 | 0 | 0 | 0 | 112.9 | E443 Q450 G451 | E443-H447 PolarHBondContact O-CD2 3.48Å; E443-H447 PolarHBondContact O-N 2.82Å; H447-Q450 PolarHBondContact ND1-OE1 2.8Å; H447-Q450 PolarHBondContact O-N 2.78Å; H447-G451 PolarHBondContact O-N 2.81Å |
| 448 | F | 98.1 | Very high | 97.7 | Very high | 139 Ų | 139 | 109.5 Ų | 109.5 | 61% | 0.61 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.3 | -47.5 | 173.3 | 173.7 | -97.9 | 0 | 0 | 0 | 112 | R444 V445 L446 G451 K452 | R444-F448 WeakPolarHBondContact O-CB 3.11Å; R444-F448 PolarHBondContact O-N 3.17Å; R444-F448 VanDerWaalsContact O-N 3.1Å; V445-F448 WeakPolarHBondContact O-CB 3.24Å; V445-F448 PolarHBondContact O-N 3.42Å; L446-F448 VanDerWaalsContact C-N 3.35Å; L446-F448 PolarHBondContact O-N 2.82Å; F448-G451 PolarHBondContact O-N 2.76Å; F448-K452 PolarHBondContact O-N 2.85Å |
| 449 | Y | 98.1 | Very high | 97.6 | Very high | 131 Ų | 131 | 111.8 Ų | 111.8 | 51% | 0.514 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.8 | -38.1 | 178 | -78.7 | -66.7 | 0 | 0 | 0 | 113.1 | V445 L446 G451 K452 I453 | V445-Y449 HydrophobicContact CG1-CD2 3.73Å; V445-Y449 HydrophobicContact CG1-CE2 3.64Å; V445-Y449 VanDerWaalsContact O-CD2 3.26Å; V445-Y449 WeakPolarHBondContact O-CD2 3.43Å; V445-Y449 PolarHBondContact O-N 3.37Å; L446-Y449 PolarHBondContact O-N 2.94Å; Y449-G451 PolarHBondContact O-N 3.18Å; Y449-K452 WeakPolarHBondContact O-CB 3.25Å; Y449-K452 PolarHBondContact O-N 3.45Å; Y449-I453 VanDerWaalsContact O-CG1 3.32Å; Y449-I453 WeakPolarHBondContact O-CG1 3.36Å; Y449-I453 PolarHBondContact O-N 3.42Å |
| 450 | Q | 98 | Very high | 97.6 | Very high | 98 Ų | 98 | 110.5 Ų | 110.5 | 46% | 0.458 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.2 | -47.3 | 171.7 | -73.6 | 169 | -3.4 | 0 | 0 | 111.3 | L446 H447 K452 I453 I454 | L446-Q450 WeakPolarHBondContact O-CB 3.39Å; L446-Q450 VanDerWaalsContact O-CG 3.26Å; L446-Q450 WeakPolarHBondContact O-CG 3.14Å; L446-Q450 PolarHBondContact O-N 2.97Å; H447-Q450 PolarHBondContact ND1-OE1 2.8Å; H447-Q450 PolarHBondContact O-N 2.78Å; Q450-K452 VanDerWaalsContact C-N 3.33Å; Q450-K452 PolarHBondContact O-N 2.85Å; Q450-I453 PolarHBondContact O-N 3.17Å; Q450-I454 WeakPolarHBondContact O-CG1 3.31Å; Q450-I454 PolarHBondContact O-N 2.98Å |
| 451 | G | 98.1 | Very high | 97.6 | Very high | 39 Ų | 39 | 110 Ų | 110 | 40% | 0.402 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.2 | -41.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | H447 F448 Y449 I454 S455 | H447-G451 PolarHBondContact O-N 2.81Å; F448-G451 PolarHBondContact O-N 2.76Å; Y449-G451 PolarHBondContact O-N 3.18Å; G451-I454 PolarHBondContact O-N 3.31Å; G451-S455 WeakPolarHBondContact O-CB 3.27Å; G451-S455 PolarHBondContact O-N 2.9Å |
| 452 | K | 97.8 | Very high | 97.6 | Very high | 92 Ų | 92 | 107.1 Ų | 107.1 | 40% | 0.4 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 175.6 | -171.6 | 169.7 | -178.5 | 173.7 | 0 | 112.4 | F448 Y449 Q450 S455 Y456 | F448-K452 PolarHBondContact O-N 2.85Å; Y449-K452 WeakPolarHBondContact O-CB 3.25Å; Y449-K452 PolarHBondContact O-N 3.45Å; Q450-K452 VanDerWaalsContact C-N 3.33Å; Q450-K452 PolarHBondContact O-N 2.85Å; K452-S455 PolarHBondContact O-N 2.93Å; K452-Y456 HydrophobicContact CD-CE2 4.23Å; K452-Y456 HydrophobicContact CG-CD2 4Å; K452-Y456 HydrophobicContact CG-CE2 3.62Å; K452-Y456 VanDerWaalsContact O-CD2 3.22Å; K452-Y456 WeakPolarHBondContact O-CD2 3.44Å; K452-Y456 PolarHBondContact O-N 3.37Å |
| 453 | I | 97.2 | Very high | 97.6 | Very high | 114 Ų | 114 | 105.2 Ų | 105.2 | 59% | 0.585 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.9 | -46.2 | 175.4 | -68.6 | 163.2 | 0 | 0 | 0 | 110.8 | Y449 Q450 S455 Y456 K457 | Y449-I453 VanDerWaalsContact O-CG1 3.32Å; Y449-I453 WeakPolarHBondContact O-CG1 3.36Å; Y449-I453 PolarHBondContact O-N 3.42Å; Q450-I453 PolarHBondContact O-N 3.17Å; I453-S455 VanDerWaalsContact C-N 3.3Å; I453-S455 PolarHBondContact O-N 3.46Å; I453-Y456 PolarHBondContact O-N 3.31Å; I453-K457 WeakPolarHBondContact O-CB 3.37Å; I453-K457 PolarHBondContact O-N 3.17Å |
| 454 | I | 97.9 | Very high | 97.6 | Very high | 97 Ų | 97 | 108.2 Ų | 108.2 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.3 | -40.2 | 177.5 | -67.6 | 164.3 | 0 | 0 | 0 | 111 | Q450 G451 K457 K458 | Q450-I454 WeakPolarHBondContact O-CG1 3.31Å; Q450-I454 PolarHBondContact O-N 2.98Å; G451-I454 PolarHBondContact O-N 3.31Å; I454-K457 PolarHBondContact O-N 3.32Å; I454-K458 HydrophobicContact CG2-CD 4.46Å; I454-K458 WeakPolarHBondContact O-CG 3.33Å; I454-K458 PolarHBondContact O-N 3.34Å |
| 455 | S | 97.7 | Very high | 97.5 | Very high | 77 Ų | 77 | 107.5 Ų | 107.5 | 54% | 0.538 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.3 | -49 | 176.2 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | G451 K452 I453 K457 K458 K459 | G451-S455 WeakPolarHBondContact O-CB 3.27Å; G451-S455 PolarHBondContact O-N 2.9Å; K452-S455 PolarHBondContact O-N 2.93Å; I453-S455 VanDerWaalsContact C-N 3.3Å; I453-S455 PolarHBondContact O-N 3.46Å; S455-K457 PolarHBondContact O-N 2.94Å; S455-K458 PolarHBondContact O-N 2.89Å; S455-K459 PolarHBondContact O-N 2.88Å; S455-K459 VanDerWaalsContact O-N 3.07Å |
| 456 | Y | 97.5 | Very high | 97.5 | Very high | 138 Ų | 138 | 106.8 Ų | 106.8 | 54% | 0.541 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 175.6 | -75.9 | -59.3 | 0 | 0 | 0 | 112.5 | K452 I453 K458 K459 V460 | K452-Y456 HydrophobicContact CD-CE2 4.23Å; K452-Y456 HydrophobicContact CG-CD2 4Å; K452-Y456 HydrophobicContact CG-CE2 3.62Å; K452-Y456 VanDerWaalsContact O-CD2 3.22Å; K452-Y456 WeakPolarHBondContact O-CD2 3.44Å; K452-Y456 PolarHBondContact O-N 3.37Å; I453-Y456 PolarHBondContact O-N 3.31Å; Y456-K458 PolarHBondContact O-N 3.01Å; Y456-K459 WeakPolarHBondContact O-CB 3.46Å; Y456-K459 PolarHBondContact O-N 3.02Å; Y456-K459 VanDerWaalsContact O-N 3.14Å; Y456-V460 WeakPolarHBondContact O-CG2 3.31Å; Y456-V460 PolarHBondContact O-N 3.35Å |
| 457 | K | 96.7 | Very high | 97.4 | Very high | 137 Ų | 137 | 104.6 Ų | 104.6 | 60% | 0.596 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -57.8 | -50.6 | 176.5 | -177.2 | 171.1 | 179.9 | 176.8 | 0 | 111.2 | I453 I454 S455 K459 V460 D461 | I453-K457 WeakPolarHBondContact O-CB 3.37Å; I453-K457 PolarHBondContact O-N 3.17Å; I454-K457 PolarHBondContact O-N 3.32Å; S455-K457 PolarHBondContact O-N 2.94Å; K457-K459 VanDerWaalsContact C-N 3.26Å; K457-K459 PolarHBondContact O-N 3Å; K457-V460 PolarHBondContact O-N 3.49Å; K457-V460 VanDerWaalsContact O-N 3.08Å; K457-D461 WeakPolarHBondContact CG-OD2 3.39Å; K457-D461 PolarHBondContact O-N 2.96Å |
| 458 | K | 97.2 | Very high | 97.3 | Very high | 150 Ų | 150 | 104.5 Ų | 104.5 | 65% | 0.652 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -56.5 | -37.8 | 175.1 | -74.2 | -179.2 | 177.6 | -175.5 | 0 | 113 | I454 S455 Y456 G462 | I454-K458 HydrophobicContact CG2-CD 4.46Å; I454-K458 WeakPolarHBondContact O-CG 3.33Å; I454-K458 PolarHBondContact O-N 3.34Å; S455-K458 PolarHBondContact O-N 2.89Å; Y456-K458 PolarHBondContact O-N 3.01Å; K458-G462 PolarHBondContact O-N 3.39Å |
| 459 | K | 97.4 | Very high | 97.3 | Very high | 136 Ų | 136 | 101.1 Ų | 101.1 | 59% | 0.591 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.2 | -41.1 | 176.1 | -171.3 | 177.6 | -178.9 | -179.7 | 0 | 112.1 | S455 Y456 K457 N463 | S455-K459 PolarHBondContact O-N 2.88Å; S455-K459 VanDerWaalsContact O-N 3.07Å; Y456-K459 WeakPolarHBondContact O-CB 3.46Å; Y456-K459 PolarHBondContact O-N 3.02Å; Y456-K459 VanDerWaalsContact O-N 3.14Å; K457-K459 VanDerWaalsContact C-N 3.26Å; K457-K459 PolarHBondContact O-N 3Å; K459-N463 WeakPolarHBondContact O-CB 3.49Å; K459-N463 PolarHBondContact O-N 2.9Å; K459-N463 PolarHBondContact O-OD1 2.81Å |
| 460 | V | 96.9 | Very high | 97.3 | Very high | 93 Ų | 93 | 97.6 Ų | 97.6 | 56% | 0.564 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.9 | -47.6 | 175.3 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | Y456 K457 G462 N463 Y464 | Y456-V460 WeakPolarHBondContact O-CG2 3.31Å; Y456-V460 PolarHBondContact O-N 3.35Å; K457-V460 PolarHBondContact O-N 3.49Å; K457-V460 VanDerWaalsContact O-N 3.08Å; V460-G462 VanDerWaalsContact C-N 3.34Å; V460-G462 PolarHBondContact O-N 2.93Å; V460-N463 PolarHBondContact O-N 3.01Å; V460-Y464 WeakPolarHBondContact O-CB 3.49Å; V460-Y464 PolarHBondContact O-N 3.1Å |
| 461 | D | 97.3 | Very high | 97.2 | Very high | 83 Ų | 83 | 98.5 Ų | 98.5 | 44% | 0.444 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 178.1 | -62.4 | -24.4 | 0 | 0 | 0 | 111.2 | K457 Y464 F465 | K457-D461 WeakPolarHBondContact CG-OD2 3.39Å; K457-D461 PolarHBondContact O-N 2.96Å; D461-Y464 PolarHBondContact O-N 2.83Å; D461-F465 WeakPolarHBondContact O-CB 3.19Å; D461-F465 PolarHBondContact O-N 3.28Å |
| 462 | G | 97.3 | Very high | 97.1 | Very high | 40 Ų | 40 | 103.5 Ų | 103.5 | 41% | 0.412 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66 | -42.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K458 V460 F465 A466 | K458-G462 PolarHBondContact O-N 3.39Å; V460-G462 VanDerWaalsContact C-N 3.34Å; V460-G462 PolarHBondContact O-N 2.93Å; G462-F465 PolarHBondContact O-N 3.49Å; G462-A466 WeakPolarHBondContact O-CB 3.16Å; G462-A466 PolarHBondContact O-N 2.86Å |
| 463 | N | 96.9 | Very high | 97.1 | Very high | 104 Ų | 104 | 103.5 Ų | 103.5 | 56% | 0.556 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.3 | -41.5 | 174.8 | -76.8 | 2.6 | 0 | 0 | 0 | 111.8 | K459 V460 A466 A467 | K459-N463 WeakPolarHBondContact O-CB 3.49Å; K459-N463 PolarHBondContact O-N 2.9Å; K459-N463 PolarHBondContact O-OD1 2.81Å; V460-N463 PolarHBondContact O-N 3.01Å; N463-A466 PolarHBondContact O-N 3.29Å; N463-A467 WeakPolarHBondContact O-CB 3.43Å; N463-A467 PolarHBondContact O-N 3.49Å |
| 464 | Y | 96.8 | Very high | 97.1 | Very high | 170 Ų | 170 | 102.6 Ų | 102.6 | 67% | 0.667 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.2 | -45.3 | 176.1 | 174.9 | -99.7 | 0 | 0 | 0 | 111.3 | V460 D461 A466 A467 W468 | V460-Y464 WeakPolarHBondContact O-CB 3.49Å; V460-Y464 PolarHBondContact O-N 3.1Å; D461-Y464 PolarHBondContact O-N 2.83Å; Y464-A466 PolarHBondContact O-N 2.92Å; Y464-A467 PolarHBondContact O-N 2.81Å; Y464-W468 WeakPolarHBondContact O-CB 3.45Å; Y464-W468 PolarHBondContact O-N 2.85Å |
| 465 | F | 96.8 | Very high | 97.1 | Very high | 122 Ų | 122 | 100.5 Ų | 100.5 | 54% | 0.535 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63 | -40 | 176.3 | -170 | -110.8 | 0 | 0 | 0 | 112.5 | D461 G462 W468 I469 | D461-F465 WeakPolarHBondContact O-CB 3.19Å; D461-F465 PolarHBondContact O-N 3.28Å; G462-F465 PolarHBondContact O-N 3.49Å; F465-W468 HydrophobicContact CD2-CE3 4.43Å; F465-W468 HydrophobicContact CE2-CE3 4.23Å; F465-W468 HydrophobicContact CE2-CZ3 4.33Å; F465-W468 PolarHBondContact O-N 2.73Å; F465-I469 HydrophobicContact CD1-CD1 3.8Å; F465-I469 HydrophobicContact CE1-CD1 3.48Å; F465-I469 VanDerWaalsContact CE1-CD1 3.48Å; F465-I469 HydrophobicContact CE1-CG1 4.43Å; F465-I469 HydrophobicContact CZ-CD1 3.99Å; F465-I469 WeakPolarHBondContact O-CG1 3.27Å; F465-I469 PolarHBondContact O-N 2.79Å |
| 466 | A | 97.3 | Very high | 97 | Very high | 57 Ų | 57 | 99.8 Ų | 99.8 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G462 N463 Y464 I469 A470 | G462-A466 WeakPolarHBondContact O-CB 3.16Å; G462-A466 PolarHBondContact O-N 2.86Å; N463-A466 PolarHBondContact O-N 3.29Å; Y464-A466 PolarHBondContact O-N 2.92Å; A466-I469 PolarHBondContact O-N 3.48Å; A466-A470 PolarHBondContact O-N 3.18Å |
| 467 | A | 96.9 | Very high | 97 | Very high | 59 Ų | 59 | 98.3 Ų | 98.3 | 49% | 0.488 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | N463 Y464 A470 E471 | N463-A467 WeakPolarHBondContact O-CB 3.43Å; N463-A467 PolarHBondContact O-N 3.49Å; Y464-A467 PolarHBondContact O-N 2.81Å; A467-A470 PolarHBondContact O-N 2.78Å; A467-E471 WeakPolarHBondContact O-CB 3.34Å; A467-E471 PolarHBondContact O-N 3.4Å |
| 468 | W | 96.3 | Very high | 97 | Very high | 119 Ų | 119 | 98.8 Ų | 98.8 | 45% | 0.451 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 176.6 | -176.8 | 79 | 0 | 0 | 0 | 112.9 | Y464 F465 E471 R472 | Y464-W468 WeakPolarHBondContact O-CB 3.45Å; Y464-W468 PolarHBondContact O-N 2.85Å; F465-W468 HydrophobicContact CD2-CE3 4.43Å; F465-W468 HydrophobicContact CE2-CE3 4.23Å; F465-W468 HydrophobicContact CE2-CZ3 4.33Å; F465-W468 PolarHBondContact O-N 2.73Å; W468-E471 PolarHBondContact O-N 3.33Å; W468-R472 PolarHBondContact O-N 2.78Å |
| 469 | I | 97.6 | Very high | 97 | Very high | 68 Ų | 68 | 98.1 Ų | 98.1 | 35% | 0.349 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 171.9 | -71.3 | 169.6 | 0 | 0 | 0 | 110.9 | F465 A466 E471 R472 N473 | F465-I469 HydrophobicContact CD1-CD1 3.8Å; F465-I469 HydrophobicContact CE1-CD1 3.48Å; F465-I469 VanDerWaalsContact CE1-CD1 3.48Å; F465-I469 HydrophobicContact CE1-CG1 4.43Å; F465-I469 HydrophobicContact CZ-CD1 3.99Å; F465-I469 WeakPolarHBondContact O-CG1 3.27Å; F465-I469 PolarHBondContact O-N 2.79Å; A466-I469 PolarHBondContact O-N 3.48Å; I469-E471 VanDerWaalsContact C-N 3.34Å; I469-E471 PolarHBondContact O-N 3.35Å; I469-R472 PolarHBondContact O-N 2.81Å; I469-N473 VanDerWaalsContact O-CG 3.26Å; I469-N473 PolarHBondContact O-N 3.4Å |
| 470 | A | 97.3 | Very high | 96.9 | Very high | 56 Ų | 56 | 96.9 Ų | 96.9 | 46% | 0.463 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A466 A467 N473 L474 | A466-A470 PolarHBondContact O-N 3.18Å; A467-A470 PolarHBondContact O-N 2.78Å; A470-N473 PolarHBondContact O-N 3.46Å; A470-L474 WeakPolarHBondContact O-CB 3.41Å; A470-L474 PolarHBondContact O-N 3.33Å |
| 471 | E | 96.3 | Very high | 96.8 | Very high | 117 Ų | 117 | 96.3 Ų | 96.3 | 55% | 0.547 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 174.3 | -177.2 | 178.3 | -172.1 | 0 | 0 | 111.9 | A467 W468 I469 L474 N475 | A467-E471 WeakPolarHBondContact O-CB 3.34Å; A467-E471 PolarHBondContact O-N 3.4Å; W468-E471 PolarHBondContact O-N 3.33Å; I469-E471 VanDerWaalsContact C-N 3.34Å; I469-E471 PolarHBondContact O-N 3.35Å; E471-L474 PolarHBondContact O-N 2.89Å; E471-N475 WeakPolarHBondContact O-CB 3.39Å; E471-N475 PolarHBondContact O-N 3.24Å; E471-N475 PolarHBondContact O-ND2 2.86Å |
| 472 | R | 96.8 | Very high | 96.8 | Very high | 145 Ų | 145 | 95 Ų | 95 | 55% | 0.547 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.6 | -48.8 | 174.3 | -172.1 | -176.4 | 179.7 | 104.8 | 2.1 | 111.4 | W468 I469 L474 N475 D476 | W468-R472 PolarHBondContact O-N 2.78Å; I469-R472 PolarHBondContact O-N 2.81Å; R472-L474 VanDerWaalsContact C-N 3.31Å; R472-L474 PolarHBondContact O-N 3.26Å; R472-N475 WeakPolarHBondContact O-CB 3.47Å; R472-N475 PolarHBondContact O-N 3.48Å; R472-N475 VanDerWaalsContact O-N 3.11Å; R472-D476 PolarHBondContact O-N 2.78Å |
| 473 | N | 97.3 | Very high | 96.8 | Very high | 91 Ų | 91 | 98 Ų | 98 | 49% | 0.487 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 178.5 | -66.7 | -13.8 | 0 | 0 | 0 | 111.6 | I469 A470 N475 D476 L477 | I469-N473 VanDerWaalsContact O-CG 3.26Å; I469-N473 PolarHBondContact O-N 3.4Å; A470-N473 PolarHBondContact O-N 3.46Å; N473-N475 VanDerWaalsContact C-N 3.34Å; N473-N475 PolarHBondContact O-N 3.26Å; N473-D476 PolarHBondContact O-N 2.94Å; N473-L477 WeakPolarHBondContact O-CB 3.24Å; N473-L477 WeakPolarHBondContact O-CG 3.14Å; N473-L477 PolarHBondContact O-N 2.81Å |
| 474 | L | 97 | Very high | 96.7 | Very high | 95 Ų | 95 | 96.5 Ų | 96.5 | 50% | 0.497 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 174.4 | -179.6 | 66.5 | 0 | 0 | 0 | 112.1 | A470 E471 R472 R478 | A470-L474 WeakPolarHBondContact O-CB 3.41Å; A470-L474 PolarHBondContact O-N 3.33Å; E471-L474 PolarHBondContact O-N 2.89Å; R472-L474 VanDerWaalsContact C-N 3.31Å; R472-L474 PolarHBondContact O-N 3.26Å; L474-R478 VanDerWaalsContact O-CB 3.31Å; L474-R478 WeakPolarHBondContact O-CB 3.37Å; L474-R478 PolarHBondContact O-N 2.94Å |
| 475 | N | 96.9 | Very high | 96.7 | Very high | 54 Ų | 54 | 97 Ų | 97 | 29% | 0.289 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.7 | -38 | 176.7 | -80.5 | -53 | 0 | 0 | 0 | 112.4 | E471 R472 N473 R478 K479 | E471-N475 WeakPolarHBondContact O-CB 3.39Å; E471-N475 PolarHBondContact O-N 3.24Å; E471-N475 PolarHBondContact O-ND2 2.86Å; R472-N475 WeakPolarHBondContact O-CB 3.47Å; R472-N475 PolarHBondContact O-N 3.48Å; R472-N475 VanDerWaalsContact O-N 3.11Å; N473-N475 VanDerWaalsContact C-N 3.34Å; N473-N475 PolarHBondContact O-N 3.26Å; N475-R478 PolarHBondContact O-N 2.87Å; N475-R478 PolarHBondContact OD1-NH1 3.18Å; N475-K479 WeakPolarHBondContact O-CG 3.42Å; N475-K479 PolarHBondContact O-N 3.46Å; N475-K479 VanDerWaalsContact O-N 3.11Å |
| 476 | D | 96.7 | Very high | 96.6 | Very high | 62 Ų | 62 | 96 Ų | 96 | 33% | 0.332 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71.6 | -41.5 | 176.7 | -69 | -28.2 | 0 | 0 | 0 | 111.5 | R472 N473 R478 K479 E480 | R472-D476 PolarHBondContact O-N 2.78Å; N473-D476 PolarHBondContact O-N 2.94Å; D476-R478 VanDerWaalsContact C-N 3.28Å; D476-R478 PolarHBondContact O-N 3.02Å; D476-K479 WeakPolarHBondContact O-CB 3.23Å; D476-K479 PolarHBondContact O-N 3.46Å; D476-K479 VanDerWaalsContact O-N 3.17Å; D476-K479 IonicContact OD1-NZ 2.88Å; D476-K479 PolarHBondContact OD1-NZ 2.97Å; D476-E480 PolarHBondContact O-N 3.05Å |
| 477 | L | 96.5 | Very high | 96.5 | Very high | 106 Ų | 106 | 98 Ų | 98 | 56% | 0.555 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59.7 | -35.7 | 169 | -73 | 172.4 | 0 | 0 | 0 | 112.7 | N473 E480 N481 | N473-L477 WeakPolarHBondContact O-CB 3.24Å; N473-L477 WeakPolarHBondContact O-CG 3.14Å; N473-L477 PolarHBondContact O-N 2.81Å; L477-E480 PolarHBondContact O-N 3.13Å; L477-N481 VanDerWaalsContact O-CB 3.31Å; L477-N481 WeakPolarHBondContact O-CB 3.35Å; L477-N481 PolarHBondContact O-N 2.72Å |
| 478 | R | 97.3 | Very high | 96.4 | Very high | 148 Ų | 148 | 99.8 Ų | 99.8 | 56% | 0.558 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.7 | -39.3 | 175.9 | -173 | -177 | -68.6 | 138.5 | -4.8 | 111.7 | L474 N475 D476 A482 | L474-R478 VanDerWaalsContact O-CB 3.31Å; L474-R478 WeakPolarHBondContact O-CB 3.37Å; L474-R478 PolarHBondContact O-N 2.94Å; N475-R478 PolarHBondContact O-N 2.87Å; N475-R478 PolarHBondContact OD1-NH1 3.18Å; D476-R478 VanDerWaalsContact C-N 3.28Å; D476-R478 PolarHBondContact O-N 3.02Å; R478-A482 WeakPolarHBondContact O-CB 3.34Å; R478-A482 PolarHBondContact O-N 2.93Å |
| 479 | K | 96.8 | Very high | 96.3 | Very high | 136 Ų | 136 | 96.7 Ų | 96.7 | 59% | 0.591 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.5 | -44.6 | 173.5 | -66 | 166.5 | -165.5 | 159.7 | 0 | 111.3 | N475 D476 A482 H483 | N475-K479 WeakPolarHBondContact O-CG 3.42Å; N475-K479 PolarHBondContact O-N 3.46Å; N475-K479 VanDerWaalsContact O-N 3.11Å; D476-K479 WeakPolarHBondContact O-CB 3.23Å; D476-K479 PolarHBondContact O-N 3.46Å; D476-K479 VanDerWaalsContact O-N 3.17Å; D476-K479 IonicContact OD1-NZ 2.88Å; D476-K479 PolarHBondContact OD1-NZ 2.97Å; K479-A482 PolarHBondContact O-N 3.45Å; K479-H483 PolarHBondContact O-N 3.44Å |
| 480 | E | 95.5 | Very high | 96 | Very high | 109 Ų | 109 | 97.3 Ų | 97.3 | 51% | 0.509 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 177.5 | -162.2 | -163.5 | 148.6 | 0 | 0 | 111.5 | D476 L477 A482 H483 N484 | D476-E480 PolarHBondContact O-N 3.05Å; L477-E480 PolarHBondContact O-N 3.13Å; E480-A482 PolarHBondContact O-N 3.4Å; E480-H483 PolarHBondContact O-N 3.25Å; E480-N484 WeakPolarHBondContact O-CB 3.39Å; E480-N484 VanDerWaalsContact O-CG 3.3Å; E480-N484 PolarHBondContact O-N 2.83Å; E480-N484 PolarHBondContact O-ND2 2.99Å |
| 481 | N | 96.3 | Very high | 95.7 | Very high | 81 Ų | 81 | 98.3 Ų | 98.3 | 43% | 0.433 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 175.6 | -162.3 | -74.6 | 0 | 0 | 0 | 111.7 | L477 N484 R485 | L477-N481 VanDerWaalsContact O-CB 3.31Å; L477-N481 WeakPolarHBondContact O-CB 3.35Å; L477-N481 PolarHBondContact O-N 2.72Å; N481-N484 PolarHBondContact O-N 3.4Å; N481-R485 WeakPolarHBondContact O-CG 3.39Å; N481-R485 PolarHBondContact O-N 2.81Å; N481-R485 PolarHBondContact OD1-NE 2.82Å |
| 482 | A | 96.8 | Very high | 95.4 | Very high | 57 Ų | 57 | 97 Ų | 97 | 47% | 0.471 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R478 K479 E480 R485 Q486 | R478-A482 WeakPolarHBondContact O-CB 3.34Å; R478-A482 PolarHBondContact O-N 2.93Å; K479-A482 PolarHBondContact O-N 3.45Å; E480-A482 PolarHBondContact O-N 3.4Å; A482-R485 PolarHBondContact O-N 3.44Å; A482-Q486 PolarHBondContact O-N 3.23Å |
| 483 | H | 95.9 | Very high | 95.1 | Very high | 101 Ų | 101 | 96.9 Ų | 96.9 | 47% | 0.468 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 175.2 | -178.6 | 57.7 | 0 | 0 | 0 | 112.6 | K479 E480 Q486 K487 | K479-H483 PolarHBondContact O-N 3.44Å; E480-H483 PolarHBondContact O-N 3.25Å; H483-Q486 PolarHBondContact O-N 3.46Å; H483-K487 PolarHBondContact O-N 3.02Å |
| 484 | N | 96 | Very high | 94.7 | Very high | 74 Ų | 74 | 98.4 Ų | 98.4 | 40% | 0.396 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68 | -37 | 176.5 | -70.7 | -23.9 | 0 | 0 | 0 | 111.8 | E480 N481 K487 L488 | E480-N484 WeakPolarHBondContact O-CB 3.39Å; E480-N484 VanDerWaalsContact O-CG 3.3Å; E480-N484 PolarHBondContact O-N 2.83Å; E480-N484 PolarHBondContact O-ND2 2.99Å; N481-N484 PolarHBondContact O-N 3.4Å; N484-K487 PolarHBondContact O-N 2.77Å; N484-L488 WeakPolarHBondContact O-CB 3.5Å; N484-L488 PolarHBondContact O-N 3.46Å |
| 485 | R | 96 | Very high | 94 | Very high | 179 Ų | 179 | 100.4 Ų | 100.4 | 68% | 0.675 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.8 | -42.5 | 170.4 | -73.5 | 175.8 | -173.1 | -163.6 | -4.6 | 112.3 | N481 A482 L488 A489 | N481-R485 WeakPolarHBondContact O-CG 3.39Å; N481-R485 PolarHBondContact O-N 2.81Å; N481-R485 PolarHBondContact OD1-NE 2.82Å; A482-R485 PolarHBondContact O-N 3.44Å; R485-L488 PolarHBondContact O-N 2.77Å; R485-A489 PolarHBondContact O-N 2.74Å |
| 486 | Q | 95.2 | Very high | 93.4 | Very high | 103 Ų | 103 | 102.8 Ų | 102.8 | 48% | 0.481 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.6 | -50.7 | 175 | -177.5 | -170.4 | -28.9 | 0 | 0 | 110.9 | A482 H483 L488 A489 E490 | A482-Q486 PolarHBondContact O-N 3.23Å; H483-Q486 PolarHBondContact O-N 3.46Å; Q486-L488 VanDerWaalsContact C-N 3.28Å; Q486-L488 PolarHBondContact O-N 3.44Å; Q486-A489 PolarHBondContact O-N 3.18Å; Q486-A489 VanDerWaalsContact O-N 3.17Å; Q486-E490 WeakPolarHBondContact CG-OE1 3.28Å; Q486-E490 PolarHBondContact NE2-OE1 2.86Å; Q486-E490 WeakPolarHBondContact O-CG 3.46Å; Q486-E490 PolarHBondContact O-N 3.33Å |
| 487 | K | 95.6 | Very high | 92.5 | Very high | 97 Ų | 97 | 105 Ų | 105 | 42% | 0.422 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -55.5 | -42.3 | 175.7 | -81.5 | 172.3 | 161.8 | 164.1 | 0 | 112.4 | H483 N484 E490 T491 | H483-K487 PolarHBondContact O-N 3.02Å; N484-K487 PolarHBondContact O-N 2.77Å; K487-E490 PolarHBondContact O-N 2.8Å; K487-T491 PolarHBondContact O-N 3.35Å; K487-T491 PolarHBondContact O-OG1 3.43Å |
| 488 | L | 94.3 | Very high | 91.4 | Very high | 98 Ų | 98 | 105.9 Ų | 105.9 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 177.9 | -171.6 | 145.4 | 0 | 0 | 0 | 111.1 | N484 R485 Q486 E490 T491 E492 | N484-L488 WeakPolarHBondContact O-CB 3.5Å; N484-L488 PolarHBondContact O-N 3.46Å; R485-L488 PolarHBondContact O-N 2.77Å; Q486-L488 VanDerWaalsContact C-N 3.28Å; Q486-L488 PolarHBondContact O-N 3.44Å; L488-E490 PolarHBondContact O-N 2.85Å; L488-T491 WeakPolarHBondContact CA-OG1 3.34Å; L488-T491 PolarHBondContact O-N 2.82Å; L488-T491 PolarHBondContact O-OG1 2.85Å; L488-E492 HydrophobicContact CD2-CG 4.29Å; L488-E492 VanDerWaalsContact CD2-OE1 3.31Å; L488-E492 WeakPolarHBondContact CD2-OE1 3.43Å; L488-E492 PolarHBondContact O-N 2.95Å |
| 489 | A | 93.4 | Very high | 90.2 | Very high | 54 Ų | 54 | 106.1 Ų | 106.1 | 45% | 0.446 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -38.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | R485 Q486 E492 F493 | R485-A489 PolarHBondContact O-N 2.74Å; Q486-A489 PolarHBondContact O-N 3.18Å; Q486-A489 VanDerWaalsContact O-N 3.17Å; A489-E492 PolarHBondContact O-N 3.41Å; A489-F493 WeakPolarHBondContact O-CB 3.44Å; A489-F493 PolarHBondContact O-N 3.26Å |
| 490 | E | 92.6 | Very high | 89 | Confident | 81 Ų | 81 | 108 Ų | 108 | 38% | 0.379 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 172.7 | -72.3 | 174.2 | -157.7 | 0 | 0 | 112.1 | Q486 K487 L488 F493 K494 | Q486-E490 WeakPolarHBondContact CG-OE1 3.28Å; Q486-E490 PolarHBondContact NE2-OE1 2.86Å; Q486-E490 WeakPolarHBondContact O-CG 3.46Å; Q486-E490 PolarHBondContact O-N 3.33Å; K487-E490 PolarHBondContact O-N 2.8Å; L488-E490 PolarHBondContact O-N 2.85Å; E490-F493 PolarHBondContact O-N 2.77Å; E490-K494 WeakPolarHBondContact O-CG 3.34Å; E490-K494 PolarHBondContact O-N 3.47Å |
| 491 | T | 91.3 | Very high | 87.2 | Confident | 76 Ų | 76 | 107.4 Ų | 107.4 | 47% | 0.466 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.7 | -39.3 | 175.5 | 50.3 | 0 | 0 | 0 | 0 | 112.6 | K487 L488 F493 K494 M495 | K487-T491 PolarHBondContact O-N 3.35Å; K487-T491 PolarHBondContact O-OG1 3.43Å; L488-T491 WeakPolarHBondContact CA-OG1 3.34Å; L488-T491 PolarHBondContact O-N 2.82Å; L488-T491 PolarHBondContact O-OG1 2.85Å; T491-F493 VanDerWaalsContact C-N 3.33Å; T491-F493 PolarHBondContact O-N 3.44Å; T491-K494 PolarHBondContact O-N 3.22Å; T491-M495 WeakPolarHBondContact O-CG 3.4Å; T491-M495 PolarHBondContact O-N 2.94Å |
| 492 | E | 90.2 | Very high | 85.4 | Confident | 90 Ų | 90 | 107.7 Ų | 107.7 | 42% | 0.421 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 172.1 | -77.6 | -170.9 | -159.3 | 0 | 0 | 111.8 | L488 A489 M495 K496 | L488-E492 HydrophobicContact CD2-CG 4.29Å; L488-E492 VanDerWaalsContact CD2-OE1 3.31Å; L488-E492 WeakPolarHBondContact CD2-OE1 3.43Å; L488-E492 PolarHBondContact O-N 2.95Å; A489-E492 PolarHBondContact O-N 3.41Å; E492-M495 PolarHBondContact O-N 3.36Å; E492-K496 WeakPolarHBondContact O-CB 3.49Å; E492-K496 VanDerWaalsContact O-CG 3.31Å; E492-K496 WeakPolarHBondContact O-CG 3.47Å; E492-K496 PolarHBondContact O-N 3.2Å; E492-K496 IonicContact OE2-NZ 2.97Å; E492-K496 PolarHBondContact OE2-NZ 3.03Å |
| 493 | F | 88.8 | Confident | 83.5 | Confident | 142 Ų | 142 | 114.9 Ų | 114.9 | 62% | 0.623 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63.4 | -42.1 | 176.4 | -175.6 | -93.9 | 0 | 0 | 0 | 111.5 | A489 E490 T491 K496 L497 | A489-F493 WeakPolarHBondContact O-CB 3.44Å; A489-F493 PolarHBondContact O-N 3.26Å; E490-F493 PolarHBondContact O-N 2.77Å; T491-F493 VanDerWaalsContact C-N 3.33Å; T491-F493 PolarHBondContact O-N 3.44Å; F493-K496 PolarHBondContact O-N 3.29Å; F493-L497 WeakPolarHBondContact O-CB 3.21Å; F493-L497 PolarHBondContact O-N 2.71Å |
| 494 | K | 89.2 | Confident | 81.4 | Confident | 124 Ų | 124 | 113.8 Ų | 113.8 | 54% | 0.539 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.2 | -41.6 | 173.8 | -73.4 | 168.3 | -178 | 170 | 0 | 112.3 | E490 T491 L497 L498 | E490-K494 WeakPolarHBondContact O-CG 3.34Å; E490-K494 PolarHBondContact O-N 3.47Å; T491-K494 PolarHBondContact O-N 3.22Å; K494-L497 WeakPolarHBondContact O-CB 3.35Å; K494-L497 PolarHBondContact O-N 2.83Å; K494-L498 WeakPolarHBondContact O-CG 3.26Å; K494-L498 PolarHBondContact O-N 2.78Å |
| 495 | M | 83.7 | Confident | 79.1 | Confident | 137 Ų | 137 | 117.8 Ų | 117.8 | 68% | 0.675 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.2 | -44.6 | 174.8 | -70 | -167.9 | 77.9 | 0 | 0 | 111.8 | T491 E492 L497 L498 E499 | T491-M495 WeakPolarHBondContact O-CG 3.4Å; T491-M495 PolarHBondContact O-N 2.94Å; E492-M495 PolarHBondContact O-N 3.36Å; M495-L497 PolarHBondContact O-N 3.36Å; M495-L498 PolarHBondContact O-N 2.77Å; M495-E499 WeakPolarHBondContact O-CB 3.32Å; M495-E499 PolarHBondContact O-N 2.95Å |
| 496 | K | 83.6 | Confident | 76.6 | Confident | 103 Ų | 103 | 116 Ų | 116 | 45% | 0.448 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.3 | -23.1 | 174.6 | -73.7 | 162.9 | -179.7 | 155.9 | 0 | 113.3 | E492 F493 K500 | E492-K496 WeakPolarHBondContact O-CB 3.49Å; E492-K496 VanDerWaalsContact O-CG 3.31Å; E492-K496 WeakPolarHBondContact O-CG 3.47Å; E492-K496 PolarHBondContact O-N 3.2Å; E492-K496 IonicContact OE2-NZ 2.97Å; E492-K496 PolarHBondContact OE2-NZ 3.03Å; F493-K496 PolarHBondContact O-N 3.29Å; K496-K500 WeakPolarHBondContact O-CD 3.41Å; K496-K500 VanDerWaalsContact O-CG 3.28Å; K496-K500 WeakPolarHBondContact O-CG 3.28Å |
| 497 | L | 78.2 | Confident | 74.2 | Confident | 108 Ų | 108 | 116.9 Ų | 116.9 | 57% | 0.565 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -77.8 | -47.3 | 172.6 | -171.9 | 68.2 | 0 | 0 | 0 | 110.9 | F493 K494 M495 E499 K500 D501 | F493-L497 WeakPolarHBondContact O-CB 3.21Å; F493-L497 PolarHBondContact O-N 2.71Å; K494-L497 WeakPolarHBondContact O-CB 3.35Å; K494-L497 PolarHBondContact O-N 2.83Å; M495-L497 PolarHBondContact O-N 3.36Å; L497-E499 VanDerWaalsContact C-N 3.31Å; L497-E499 PolarHBondContact O-N 3.35Å; L497-K500 PolarHBondContact O-N 2.77Å; L497-K500 VanDerWaalsContact O-N 3.1Å; L497-D501 PolarHBondContact O-N 3.43Å; L497-D501 VanDerWaalsContact O-N 3.16Å |
| 498 | L | 72.5 | Confident | 72.5 | Confident | 126 Ų | 126 | 116.7 Ų | 116.7 | 66% | 0.66 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -62.4 | -35.5 | 175.3 | -70.5 | 167.5 | 0 | 0 | 0 | 112.7 | K494 M495 K500 D501 | K494-L498 WeakPolarHBondContact O-CG 3.26Å; K494-L498 PolarHBondContact O-N 2.78Å; M495-L498 PolarHBondContact O-N 2.77Å; L498-K500 PolarHBondContact O-N 3.23Å; L498-D501 CarbonylContact O-C 3.56Å |
| 499 | E | 71.7 | Confident | 69.7 | Low | 152 Ų | 152 | 118.6 Ų | 118.6 | 71% | 0.71 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -29.3 | 174.2 | -174.8 | 179.8 | -165.4 | 0 | 0 | 112.4 | M495 L497 | M495-E499 WeakPolarHBondContact O-CB 3.32Å; M495-E499 PolarHBondContact O-N 2.95Å; L497-E499 VanDerWaalsContact C-N 3.31Å; L497-E499 PolarHBondContact O-N 3.35Å |
| 500 | K | 72.8 | Confident | 67 | Low | 177 Ų | 177 | 121.9 Ų | 121.9 | 77% | 0.77 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -22.6 | -177.7 | -76.1 | 179 | -179.6 | -175.2 | 0 | 114.6 | K496 L497 L498 | K496-K500 WeakPolarHBondContact O-CD 3.41Å; K496-K500 VanDerWaalsContact O-CG 3.28Å; K496-K500 WeakPolarHBondContact O-CG 3.28Å; L497-K500 PolarHBondContact O-N 2.77Å; L497-K500 VanDerWaalsContact O-N 3.1Å; L498-K500 PolarHBondContact O-N 3.23Å |
| 501 | D | 56.9 | Low | 64.1 | Low | 95 Ų | 95 | 121.7 Ų | 121.7 | 51% | 0.508 | 64% | 0.641 | S | S | . | * | trans | -139.3 | 80.7 | 173.8 | -162.7 | -11.8 | 0 | 0 | 0 | 112 | L497 L498 Y503 A504 | L497-D501 PolarHBondContact O-N 3.43Å; L497-D501 VanDerWaalsContact O-N 3.16Å; L498-D501 CarbonylContact O-C 3.56Å; D501-Y503 PolarHBondContact O-N 2.77Å; D501-Y503 PolarHBondContact OD1-N 3.39Å; D501-A504 PolarHBondContact OD1-N 3.09Å | ||
| 502 | P | 58.3 | Low | 61.3 | Low | 88 Ų | 88 | 127.9 Ų | 127.9 | 57% | 0.571 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -3.6 | -178.7 | -16.8 | 32.3 | 0 | 0 | 0 | 114.7 | ||
| 503 | Y | 57.3 | Low | 58.6 | Low | 207 Ų | 207 | 126.6 Ų | 126.6 | 81% | 0.812 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.3 | 29.8 | -166.7 | -72.1 | -73.4 | 0 | 0 | 0 | 115.3 | D501 L505 | D501-Y503 PolarHBondContact O-N 2.77Å; D501-Y503 PolarHBondContact OD1-N 3.39Å; Y503-L505 PolarHBondContact O-N 2.84Å |
| 504 | A | 51.9 | Low | 56.3 | Low | 79 Ų | 79 | 131.5 Ų | 131.5 | 65% | 0.653 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -70.7 | 64 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D501 | D501-A504 PolarHBondContact OD1-N 3.09Š|
| 505 | L | 48.3 | Very low | 54.2 | Low | 158 Ų | 158 | 129 Ų | 129 | 83% | 0.827 | 70% | 0.697 | S | S | * | * | trans | 37.8 | 91.2 | 158 | -83 | 156.2 | 0 | 0 | 0 | 119.6 | Y503 | Y503-L505 PolarHBondContact O-N 2.84Š| ||
| 506 | D | 42.9 | Very low | 52.4 | Low | 142 Ų | 142 | 128.1 Ų | 128.1 | 76% | 0.759 | 70% | 0.702 | S | S | * | * | 20.2 | 120.1 | 112.6 | -94.2 | -2.7 | 0 | 0 | 0 | 118.9 | |||||
| 507 | V | 45.3 | Very low | 50.2 | Low | 121 Ų | 121 | 134.6 Ų | 134.6 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | 100.3 | 160.4 | 99.6 | 161.1 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 508 | P | 59.8 | Low | 48.7 | Very low | 92 Ų | 92 | 132.8 Ų | 132.8 | 60% | 0.597 | 73% | 0.731 | S | S | * | * | cis | -124 | 163.3 | -5.3 | 24.3 | -3 | 0 | 0 | 0 | 116.3 | ||||
| 509 | N | 35.1 | Very low | 47.4 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | 172.6 | 115.8 | 109.6 | -94.2 | -56 | 0 | 0 | 0 | 115.9 | |||||
| 510 | T | 36 | Very low | 45.5 | Very low | 123 Ų | 123 | 129.4 Ų | 129.4 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | 44.9 | 123.2 | 115.8 | -33.7 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 511 | A | 33.3 | Very low | 43.9 | Very low | 76 Ų | 76 | 129 Ų | 129 | 63% | 0.628 | 75% | 0.749 | S | S | * | * | trans | 110.3 | 131.4 | 143.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 512 | F | 32.4 | Very low | 43.5 | Very low | 206 Ų | 206 | 130.3 Ų | 130.3 | 90% | 0.904 | 76% | 0.763 | S | S | * | * | trans | 59.7 | 124.9 | 171.5 | -61 | -84.1 | 0 | 0 | 0 | 117.3 | ||||
| 513 | G | 33.5 | Very low | 42.8 | Very low | 64 Ų | 64 | 133.3 Ų | 133.3 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | cis | 101.6 | 80.7 | 5.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 514 | R | 40.2 | Very low | 41.6 | Very low | 244 Ų | 244 | 129.3 Ų | 129.3 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | trans | 179.9 | 135.1 | 151 | -103.8 | 171 | -159.1 | -100.4 | 2.1 | 110 | ||||
| 515 | G | 44.5 | Very low | 40.8 | Very low | 72 Ų | 72 | 132.8 Ų | 132.8 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | -85 | 160.7 | 157.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 516 | P | 46.2 | Very low | 40.2 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | trans | -117.1 | 133 | 131.6 | -2.1 | 23 | 0 | 0 | 0 | 109.7 | ||||
| 517 | R | 36.9 | Very low | 39.6 | Very low | 239 Ų | 239 | 131.4 Ų | 131.4 | 90% | 0.902 | 76% | 0.756 | S | S | * | * | 55.6 | 118.7 | 89.7 | -75.4 | -170.4 | 175.2 | -162.4 | -1.2 | 114.7 | |||||
| 518 | G | 46.7 | Very low | 38.8 | Very low | 71 Ų | 71 | 131.1 Ų | 131.1 | 73% | 0.732 | 75% | 0.754 | S | S | * | * | trans | -67.4 | 152.9 | 148.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 519 | P | 45.9 | Very low | 37.5 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | -133.4 | -177.9 | 93.6 | 23.4 | -2.4 | 0 | 0 | 0 | 110.9 | |||||
| 520 | G | 31.2 | Very low | 37.5 | Very low | 71 Ų | 71 | 134 Ų | 134 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | cis | 136.2 | 129.2 | 8.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 521 | N | 39.2 | Very low | 37.6 | Very low | 167 Ų | 167 | 137.2 Ų | 137.2 | 89% | 0.893 | 76% | 0.758 | S | S | * | * | trans | -59.8 | 161 | 175.4 | -76.8 | -5.4 | 0 | 0 | 0 | 112.3 | ||||
| 522 | P | 49.6 | Very low | 37.6 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | -157.2 | -176.1 | 54.8 | 43.4 | -20.1 | 0 | 0 | 0 | 120.2 | |||||
| 523 | L | 42.3 | Very low | 37.7 | Very low | 150 Ų | 150 | 134.7 Ų | 134.7 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | 5.8 | 130.8 | 157.1 | -111.6 | 66.6 | 0 | 0 | 0 | 121.7 | ||||
| 524 | D | 32.9 | Very low | 37.6 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 66% | 0.658 | 76% | 0.762 | S | S | * | * | 168.6 | 158.3 | 97.5 | -100.6 | -20.9 | 0 | 0 | 0 | 115.2 | |||||
| 525 | H | 35.6 | Very low | 37 | Very low | 153 Ų | 153 | 130.2 Ų | 130.2 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | trans | 6.9 | 152.2 | 150.6 | -63.3 | -48.1 | 0 | 0 | 0 | 122 | ||||
| 526 | Q | 34.9 | Very low | 36.3 | Very low | 146 Ų | 146 | 132 Ų | 132 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | cis | -174.2 | 154.6 | 9.8 | -114.9 | 174 | 22.8 | 0 | 0 | 112.3 | ||||
| 527 | I | 30.9 | Very low | 35.5 | Very low | 124 Ų | 124 | 133 Ų | 133 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | trans | 73.1 | 146.2 | 139.6 | -63.9 | 166 | 0 | 0 | 0 | 122.9 | ||||
| 528 | T | 28.8 | Very low | 35.1 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | 65.1 | 156.8 | 160.9 | 48.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 529 | N | 32.4 | Very low | 34.3 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | cis | -166.2 | 172.8 | -21.1 | -104.4 | 15.7 | 0 | 0 | 0 | 106.9 | ||||
| 530 | E | 34 | Very low | 33.7 | Very low | 154 Ų | 154 | 133.8 Ų | 133.8 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | cis | -154.5 | -179.3 | 5.9 | -121.2 | -87.1 | -122.9 | 0 | 0 | 111.2 | ||||
| 531 | R | 39.2 | Very low | 33.8 | Very low | 190 Ų | 190 | 135.3 Ų | 135.3 | 72% | 0.717 | 74% | 0.735 | S | S | * | * | trans | -47 | 148.6 | 165.7 | 179.8 | -177.5 | -176 | -172.7 | 0.2 | 116.5 | E533 | R531-E533 IonicContact CZ-OE1 3.34Å; R531-E533 IonicContact NE-OE1 3.41Å; R531-E533 PolarHBondContact NE-OE1 3.41Å; R531-E533 VanDerWaalsContact NE-OE1 3.08Å; R531-E533 IonicContact NH2-OE1 3.94Å; R531-E533 PolarHBondContact NH2-OE1 3.44Å | ||
| 532 | G | 31.7 | Very low | 34.1 | Very low | 81 Ų | 81 | 132 Ų | 132 | 84% | 0.835 | 72% | 0.723 | S | S | * | * | trans | -167.3 | 112.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 533 | E | 34.4 | Very low | 33.2 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 70% | 0.696 | 72% | 0.724 | S | S | * | * | trans | -99.3 | 141.8 | -177.6 | -63 | 157.5 | -153.2 | 0 | 0 | 111.7 | R531 | R531-E533 IonicContact CZ-OE1 3.34Å; R531-E533 IonicContact NE-OE1 3.41Å; R531-E533 PolarHBondContact NE-OE1 3.41Å; R531-E533 VanDerWaalsContact NE-OE1 3.08Å; R531-E533 IonicContact NH2-OE1 3.94Å; R531-E533 PolarHBondContact NH2-OE1 3.44Å | ||
| 534 | S | 32.3 | Very low | 32.6 | Very low | 105 Ų | 105 | 139.5 Ų | 139.5 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | trans | -164.8 | 116.9 | 147.3 | 61.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 535 | S | 27.6 | Very low | 32.7 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | 53.7 | 134.8 | 61.9 | 77.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 536 | C | 28.9 | Very low | 33.1 | Very low | 109 Ų | 109 | 136 Ų | 136 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | cis | -155.3 | 157.4 | 0.7 | -123.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 537 | E | 29.6 | Very low | 33 | Very low | 139 Ų | 139 | 134.9 Ų | 134.9 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | trans | 32.7 | 133.4 | 139.4 | -69.2 | -156 | 103.9 | 0 | 0 | 125.1 | ||||
| 538 | R | 29.8 | Very low | 33.1 | Very low | 188 Ų | 188 | 136.4 Ų | 136.4 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | 75.6 | 119.2 | 127.1 | -166.3 | -174.5 | -57.8 | 179.8 | 3 | 119.2 | |||||
| 539 | L | 30.2 | Very low | 33.4 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | -177.1 | 121.2 | 114.6 | -92.4 | 168.8 | 0 | 0 | 0 | 113.2 | |||||
| 540 | T | 32.2 | Very low | 33.5 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | trans | 41.7 | 126.3 | 137.2 | -34.7 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 541 | S | 32.9 | Very low | 33.6 | Very low | 102 Ų | 102 | 132.7 Ų | 132.7 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | trans | -69.7 | 162.6 | 166.4 | -159 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 542 | P | 45.1 | Very low | 33.4 | Very low | 98 Ų | 98 | 131.9 Ų | 131.9 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | -155.7 | 166.3 | 87.4 | 42.1 | -23 | 0 | 0 | 0 | 118.3 | |||||
| 543 | H | 32.5 | Very low | 33.5 | Very low | 180 Ų | 180 | 133.5 Ų | 133.5 | 83% | 0.833 | 77% | 0.771 | S | S | * | * | trans | 66.5 | 106.1 | 157.9 | -51.2 | -53.4 | 0 | 0 | 0 | 121.2 | ||||
| 544 | R | 29 | Very low | 33.6 | Very low | 252 Ų | 252 | 132 Ų | 132 | 95% | 0.951 | 77% | 0.774 | S | S | * | * | -167.7 | 141.5 | 117.3 | -179.8 | 166.4 | -83 | 155.8 | -5.5 | 111 | |||||
| 545 | A | 35.3 | Very low | 34 | Very low | 88 Ų | 88 | 133 Ų | 133 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -148.4 | 170.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 546 | P | 43.3 | Very low | 34.6 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | cis | -114.1 | 177.4 | -22.8 | 37.8 | -24.7 | 0 | 0 | 0 | 111.1 | ||||
| 547 | S | 32.1 | Very low | 34.7 | Very low | 122 Ų | 122 | 143 Ų | 143 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -153.4 | 134.6 | 156.6 | -72.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 548 | D | 33.4 | Very low | 34.9 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | trans | -72.8 | 133.3 | -172.7 | -52.4 | -80.5 | 0 | 0 | 0 | 112.8 | ||||
| 549 | T | 34.5 | Very low | 34.9 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | -166.6 | 106.9 | 140.5 | -67.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 550 | G | 34.7 | Very low | 35.3 | Very low | 69 Ų | 69 | 146.3 Ų | 146.3 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 132.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 551 | P | 36.9 | Very low | 35.3 | Very low | 125 Ų | 125 | 150.3 Ų | 150.3 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -83 | 141.4 | 170.7 | 31.2 | -30.3 | 0 | 0 | 0 | 111.6 | ||
| 552 | L | 34.9 | Very low | 35.4 | Very low | 172 Ų | 172 | 153.2 Ų | 153.2 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 138.4 | -175.4 | -63.7 | 152.8 | 0 | 0 | 0 | 112.5 | ||
| 553 | S | 33.5 | Very low | 34.9 | Very low | 116 Ų | 116 | 156.6 Ų | 156.6 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 131.8 | 171.7 | -56.2 | 0 | 0 | 0 | 0 | 112 | ||
| 554 | P | 37.2 | Very low | 35 | Very low | 117 Ų | 117 | 157 Ų | 157 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 140.4 | 165.8 | -13.2 | 29.6 | 0 | 0 | 0 | 111.3 | ||
| 555 | P | 39.8 | Very low | 35.7 | Very low | 126 Ų | 126 | 150.5 Ų | 150.5 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 139.6 | -173.7 | 34.3 | -34.4 | 0 | 0 | 0 | 113.3 | ||
| 556 | W | 39.9 | Very low | 35.8 | Very low | 239 Ų | 239 | 152 Ų | 152 | 91% | 0.905 | 81% | 0.814 | S | S | * | * | trans | -158.1 | 115.5 | 148.8 | 56.6 | -83.5 | 0 | 0 | 0 | 110.3 | ||||
| 557 | E | 32.2 | Very low | 35.7 | Very low | 188 Ų | 188 | 153 Ų | 153 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | trans | -149.3 | 90.8 | 175.2 | -173.2 | 161.2 | -132.7 | 0 | 0 | 109.9 | ||||
| 558 | Q | 33.2 | Very low | 35.6 | Very low | 192 Ų | 192 | 150.5 Ų | 150.5 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | 173.8 | 110.2 | 150 | -101.8 | 177.5 | -2.5 | 0 | 0 | 108.8 | ||||
| 559 | D | 30.5 | Very low | 35.5 | Very low | 127 Ų | 127 | 152.4 Ų | 152.4 | 68% | 0.679 | 82% | 0.817 | S | S | * | * | -178.5 | 123.9 | 92.9 | -159.8 | -5.6 | 0 | 0 | 0 | 109 | |||||
| 560 | R | 37.3 | Very low | 35.2 | Very low | 227 Ų | 227 | 150 Ų | 150 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | trans | -137.1 | 70 | 174 | -83.3 | -166.7 | -178.5 | -100.3 | 4.8 | 110.3 | M562 | R560-M562 PolarHBondContact O-N 3.32Å; R560-M562 VanDerWaalsContact O-N 3.13Å | ||
| 561 | R | 33.5 | Very low | 34.7 | Very low | 210 Ų | 210 | 156.8 Ų | 156.8 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | trans | -65.5 | 105.9 | 148.9 | -70.5 | -178.1 | -148.8 | -113.1 | -3.7 | 108.7 | M563 | R561-M563 PolarHBondContact O-N 2.81Å; R561-M563 VanDerWaalsContact O-N 3.12Å | ||
| 562 | M | 35.4 | Very low | 35.2 | Very low | 164 Ų | 164 | 155.9 Ų | 155.9 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | trans | -68.5 | 103 | 158.4 | -69 | -164.4 | -168.3 | 0 | 0 | 107.6 | R560 | R560-M562 PolarHBondContact O-N 3.32Å; R560-M562 VanDerWaalsContact O-N 3.13Å | ||
| 563 | M | 33.8 | Very low | 34.9 | Very low | 168 Ų | 168 | 154 Ų | 154 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | trans | -92.8 | 111.6 | 176.1 | -158.2 | 132.3 | 73.1 | 0 | 0 | 109.1 | R561 | R561-M563 PolarHBondContact O-N 2.81Å; R561-M563 VanDerWaalsContact O-N 3.12Å | ||
| 564 | F | 35.2 | Very low | 34.8 | Very low | 188 Ų | 188 | 154.5 Ų | 154.5 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 136.4 | 164 | -65.2 | -89 | 0 | 0 | 0 | 109 | ||
| 565 | P | 43.4 | Very low | 34.4 | Very low | 117 Ų | 117 | 152.5 Ų | 152.5 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 137.3 | 171 | 31.6 | -32.1 | 0 | 0 | 0 | 110.8 | ||
| 566 | P | 38 | Very low | 33.9 | Very low | 120 Ų | 120 | 154.8 Ų | 154.8 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 162.6 | 173.4 | 33.6 | -34.8 | 0 | 0 | 0 | 112.1 | ||
| 567 | P | 40.4 | Very low | 33.8 | Very low | 135 Ų | 135 | 148.9 Ų | 148.9 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 137 | -170.9 | 33.6 | -34.6 | 0 | 0 | 0 | 115.2 | ||
| 568 | G | 30.4 | Very low | 34 | Very low | 69 Ų | 69 | 145.8 Ų | 145.8 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | 119.1 | 141.4 | 140.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 569 | Q | 31.8 | Very low | 33.8 | Very low | 195 Ų | 195 | 146 Ų | 146 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | trans | 75.2 | 142.7 | 158.4 | -50.7 | -167.6 | 27 | 0 | 0 | 119.5 | ||||
| 570 | S | 28 | Very low | 33.8 | Very low | 85 Ų | 85 | 150.4 Ų | 150.4 | 59% | 0.594 | 79% | 0.794 | S | S | * | * | cis | -169.7 | 158.3 | -21.9 | 49.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 571 | Y | 24.2 | Very low | 33.5 | Very low | 212 Ų | 212 | 147.7 Ų | 147.7 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | trans | 86.7 | 155 | 155.3 | -74.6 | -68.4 | 0 | 0 | 0 | 121.9 | ||||
| 572 | P | 46.1 | Very low | 33.1 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | cis | -131 | 145.1 | -17.6 | 33.5 | -15.1 | 0 | 0 | 0 | 117.3 | ||||
| 573 | D | 29.4 | Very low | 32.8 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | 43.6 | 132 | 128.6 | -148.9 | -1.2 | 0 | 0 | 0 | 124 | A575 | D573-A575 PolarHBondContact OD1-N 3.43Š| |||
| 574 | S | 30.5 | Very low | 32.4 | Very low | 127 Ų | 127 | 142.6 Ų | 142.6 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | trans | -156.2 | 70.5 | 141.9 | -78.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 575 | A | 30.1 | Very low | 32 | Very low | 75 Ų | 75 | 144.1 Ų | 144.1 | 62% | 0.62 | 78% | 0.782 | S | S | * | * | trans | 20.3 | 133.5 | 145.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | D573 | D573-A575 PolarHBondContact OD1-N 3.43Š| ||
| 576 | L | 29.7 | Very low | 31.4 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | -155.8 | 162.6 | 119.8 | -92.5 | -174.2 | 0 | 0 | 0 | 109.3 | |||||
| 577 | P | 37.3 | Very low | 30.8 | Very low | 115 Ų | 115 | 146 Ų | 146 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | trans | -107.6 | -177 | -136.6 | 44 | -40.9 | 0 | 0 | 0 | 115.6 | ||||
| 578 | P | 35.6 | Very low | 30.2 | Very low | 124 Ų | 124 | 144.6 Ų | 144.6 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | trans | -109.2 | 155.8 | -141.3 | 39.6 | -35.5 | 0 | 0 | 0 | 116.8 | ||||
| 579 | Q | 29.2 | Very low | 30.2 | Very low | 195 Ų | 195 | 145.8 Ų | 145.8 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | trans | -106.8 | 122.1 | 166.7 | -171.4 | 165.6 | -5.5 | 0 | 0 | 110.8 | ||||
| 580 | R | 30.3 | Very low | 30.2 | Very low | 220 Ų | 220 | 146.7 Ų | 146.7 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | trans | -68.5 | 138.3 | 169.8 | -71.2 | 179.9 | 175.5 | 151.2 | -1.2 | 108.9 | ||||
| 581 | Q | 30.4 | Very low | 30.2 | Very low | 170 Ų | 170 | 152.5 Ų | 152.5 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | 46.7 | 136.8 | 80.4 | -74.4 | -173.8 | -13.9 | 0 | 0 | 112.5 | |||||
| 582 | D | 27 | Very low | 30.4 | Very low | 130 Ų | 130 | 148.3 Ų | 148.3 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | cis | -161.9 | 174.9 | 0.2 | -138.7 | -115.9 | 0 | 0 | 0 | 107.5 | ||||
| 583 | T | 29.1 | Very low | 29.6 | Very low | 91 Ų | 91 | 146.6 Ų | 146.6 | 56% | 0.558 | 79% | 0.792 | S | S | * | * | cis | -149.6 | 174.8 | 8.8 | -49.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 584 | F | 25.1 | Very low | 30.6 | Very low | 214 Ų | 214 | 146.7 Ų | 146.7 | 94% | 0.939 | 80% | 0.799 | S | S | * | * | -172.3 | 110 | 125.9 | -89.5 | -54.4 | 0 | 0 | 0 | 112 | |||||
| 585 | Y | 26.7 | Very low | 30.5 | Very low | 220 Ų | 220 | 145.2 Ų | 145.2 | 86% | 0.863 | 80% | 0.795 | S | S | * | * | trans | -101.7 | 151.2 | 172.6 | -135.1 | -93.6 | 0 | 0 | 0 | 110.3 | ||||
| 586 | S | 29.9 | Very low | 30.6 | Very low | 104 Ų | 104 | 150.2 Ų | 150.2 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -58.1 | 145.9 | 175 | -53.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 587 | N | 25 | Very low | 30.7 | Very low | 172 Ų | 172 | 150.2 Ų | 150.2 | 92% | 0.92 | 81% | 0.805 | S | S | * | * | trans | -142.5 | 146.8 | 152.7 | -99.4 | -40.7 | 0 | 0 | 0 | 111 | ||||
| 588 | S | 29.6 | Very low | 30.3 | Very low | 107 Ų | 107 | 147.7 Ų | 147.7 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -116.9 | 153.8 | -168.7 | 57 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 589 | A | 28.9 | Very low | 29.9 | Very low | 94 Ų | 94 | 147.8 Ų | 147.8 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | trans | 62.4 | 142.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 590 | R | 32 | Very low | 29.9 | Very low | 214 Ų | 214 | 147.9 Ų | 147.9 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | cis | -178.2 | 155.8 | 41.6 | -152.3 | -177.4 | -140.1 | -148.2 | 0.2 | 110.1 | ||||
| 591 | R | 28.5 | Very low | 29.9 | Very low | 207 Ų | 207 | 145.3 Ų | 145.3 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | trans | 89.7 | 142.3 | 152.8 | -62.3 | -159.1 | 152.6 | -164.4 | -6.9 | 121.6 | ||||
| 592 | S | 28.1 | Very low | 30.1 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | 83.4 | 133 | 153.7 | -59.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 593 | G | 28.8 | Very low | 30.6 | Very low | 72 Ų | 72 | 145 Ų | 145 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | trans | -115.6 | -135.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 594 | P | 52.1 | Low | 30.6 | Very low | 133 Ų | 133 | 146.1 Ų | 146.1 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | trans | -101.5 | 155.8 | -137.5 | 38.4 | -37.6 | 0 | 0 | 0 | 115.8 | ||||
| 595 | A | 28.1 | Very low | 30.9 | Very low | 96 Ų | 96 | 140.7 Ų | 140.7 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | trans | -167.6 | 125 | 146.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 596 | E | 32.4 | Very low | 31 | Very low | 180 Ų | 180 | 136.9 Ų | 136.9 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | trans | 19.2 | 166.6 | 136.2 | -54.1 | -171.5 | 156.9 | 0 | 0 | 124.9 | ||||
| 597 | L | 31.8 | Very low | 31.2 | Very low | 174 Ų | 174 | 142 Ų | 142 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | trans | 80 | 132.9 | 171.5 | -52.2 | 166.6 | 0 | 0 | 0 | 115.3 | ||||
| 598 | G | 28.7 | Very low | 31.5 | Very low | 61 Ų | 61 | 141.8 Ų | 141.8 | 63% | 0.629 | 81% | 0.811 | S | S | * | * | cis | 166.7 | 175.4 | -4.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 599 | S | 26.6 | Very low | 31.6 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | 77 | 128 | 172.7 | 74.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 600 | F | 29 | Very low | 31.6 | Very low | 197 Ų | 197 | 143.5 Ų | 143.5 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | trans | -75.1 | 162.6 | 162 | -76.9 | -113.6 | 0 | 0 | 0 | 110.4 | ||||
| 601 | N | 30.5 | Very low | 31.2 | Very low | 166 Ų | 166 | 139.4 Ų | 139.4 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | -160.3 | 135.2 | 129.2 | -99.4 | -29.6 | 0 | 0 | 0 | 113.3 | |||||
| 602 | M | 33.7 | Very low | 31.4 | Very low | 170 Ų | 170 | 138 Ų | 138 | 84% | 0.837 | 82% | 0.822 | S | S | * | * | trans | -90.6 | 154.7 | 158.5 | -84.3 | -76.4 | 178.8 | 0 | 0 | 109.1 | ||||
| 603 | P | 38.4 | Very low | 31.8 | Very low | 123 Ų | 123 | 138 Ų | 138 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | trans | -94.2 | 130.7 | 158.3 | 33 | -25.7 | 0 | 0 | 0 | 111 | ||||
| 604 | S | 29.6 | Very low | 31.9 | Very low | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | trans | -117.2 | 164 | 168.8 | 59.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 605 | S | 29.8 | Very low | 30.7 | Very low | 101 Ų | 101 | 141.9 Ų | 141.9 | 71% | 0.706 | 82% | 0.819 | S | S | * | * | trans | -45.6 | 153.1 | -180 | -37.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 606 | D | 30.2 | Very low | 30.8 | Very low | 139 Ų | 139 | 145 Ų | 145 | 74% | 0.743 | 82% | 0.819 | S | S | * | * | -170.5 | 158.1 | 67.1 | -105.3 | -24.1 | 0 | 0 | 0 | 113.7 | |||||
| 607 | K | 33.4 | Very low | 30.6 | Very low | 211 Ų | 211 | 144 Ų | 144 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | -162.8 | 132.9 | 127.2 | -109 | -179.6 | -174.5 | -171.7 | 0 | 111.4 | |||||
| 608 | M | 31.8 | Very low | 30.4 | Very low | 169 Ų | 169 | 141.4 Ų | 141.4 | 83% | 0.833 | 81% | 0.811 | S | S | * | * | trans | -87.7 | 147.5 | 179.6 | -71.7 | 174 | 163.1 | 0 | 0 | 112.8 | ||||
| 609 | D | 30.4 | Very low | 30.4 | Very low | 172 Ų | 172 | 143.8 Ų | 143.8 | 92% | 0.92 | 82% | 0.818 | S | S | * | * | -164.9 | 142.4 | 125.4 | -88.3 | -30.9 | 0 | 0 | 0 | 105 | |||||
| 610 | G | 29.6 | Very low | 30.8 | Very low | 64 Ų | 64 | 148 Ų | 148 | 66% | 0.66 | 81% | 0.814 | S | S | * | * | cis | 153.3 | 114.2 | 1.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 611 | S | 24.8 | Very low | 31 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | 117.5 | 119 | 176.4 | -53.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 612 | M | 31.9 | Very low | 31.1 | Very low | 178 Ų | 178 | 142.1 Ų | 142.1 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -130.6 | 148.8 | 160.8 | -82.9 | -74.6 | 178.4 | 0 | 0 | 105.2 | ||||
| 613 | P | 37.1 | Very low | 30.9 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | -131.9 | -160 | 65.7 | 34.5 | -12.7 | 0 | 0 | 0 | 111.1 | |||||
| 614 | S | 30.5 | Very low | 30.7 | Very low | 113 Ų | 113 | 142.6 Ų | 142.6 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | cis | -154.1 | -168.4 | 18.2 | 68.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 615 | E | 27.4 | Very low | 30.8 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | -89.4 | 172.2 | -172.1 | -57.9 | 165.4 | 125.1 | 0 | 0 | 115.3 | ||||
| 616 | M | 28.2 | Very low | 30.8 | Very low | 160 Ų | 160 | 145.8 Ų | 145.8 | 79% | 0.788 | 79% | 0.788 | S | S | * | * | trans | 90.7 | 151.6 | 143.3 | -128 | 69.1 | -178.6 | 0 | 0 | 121.5 | ||||
| 617 | E | 29 | Very low | 30.9 | Very low | 161 Ų | 161 | 147.3 Ų | 147.3 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -74.9 | 179.5 | -159.8 | -51.8 | 164.4 | 121.8 | 0 | 0 | 118.1 | ||||
| 618 | S | 28.5 | Very low | 30.8 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | 104.4 | 159.6 | 136.3 | -156.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 619 | S | 28.8 | Very low | 30.6 | Very low | 111 Ų | 111 | 139.8 Ų | 139.8 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | 80.7 | 106.9 | -175.7 | -162.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 620 | R | 33.2 | Very low | 30.6 | Very low | 216 Ų | 216 | 138 Ų | 138 | 82% | 0.815 | 77% | 0.774 | S | S | * | * | cis | 75.6 | 109.7 | 29.9 | -127.3 | -132.9 | 167.7 | 131.1 | 3.9 | 115.2 | ||||
| 621 | N | 33.8 | Very low | 30.6 | Very low | 109 Ų | 109 | 142 Ų | 142 | 58% | 0.583 | 78% | 0.78 | S | S | * | * | trans | 95.4 | 124.5 | 145.3 | -77.4 | 35 | 0 | 0 | 0 | 123.6 | ||||
| 622 | D | 33 | Very low | 31 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | trans | 68.3 | 121.4 | 130.1 | -52.2 | -26.2 | 0 | 0 | 0 | 124.2 | ||||
| 623 | T | 30.2 | Very low | 31.3 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | 178.3 | 101.2 | 126.5 | -65.7 | 0 | 0 | 0 | 0 | 105.9 | |||||
| 624 | K | 33.3 | Very low | 30.9 | Very low | 166 Ų | 166 | 140.3 Ų | 140.3 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | 77.8 | 127 | 56 | -140.1 | -149.6 | 172.6 | -139.4 | 0 | 114.9 | |||||
| 625 | D | 31.2 | Very low | 30.9 | Very low | 108 Ų | 108 | 140 Ų | 140 | 58% | 0.578 | 77% | 0.767 | S | S | * | * | trans | 60.8 | 118.4 | 164.8 | -56 | -23 | 0 | 0 | 0 | 120.7 | ||||
| 626 | N | 30.7 | Very low | 30.9 | Very low | 175 Ų | 175 | 137.8 Ų | 137.8 | 94% | 0.936 | 77% | 0.77 | S | S | * | * | -154.1 | 147.8 | 106.3 | -101.2 | -67.2 | 0 | 0 | 0 | 111.3 | |||||
| 627 | L | 32.7 | Very low | 31.1 | Very low | 171 Ų | 171 | 138.1 Ų | 138.1 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | trans | -125.3 | 145.2 | -161.1 | 173.4 | 69.9 | 0 | 0 | 0 | 111.9 | ||||
| 628 | G | 29.9 | Very low | 32 | Very low | 65 Ų | 65 | 136.1 Ų | 136.1 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | trans | 92.4 | 141.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 629 | N | 27.5 | Very low | 31.9 | Very low | 157 Ų | 157 | 135.2 Ų | 135.2 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | cis | -151.2 | 167 | 40.8 | -133 | -24.5 | 0 | 0 | 0 | 114.6 | ||||
| 630 | L | 31.3 | Very low | 31.9 | Very low | 135 Ų | 135 | 138.1 Ų | 138.1 | 71% | 0.707 | 78% | 0.776 | S | S | * | * | trans | -66.5 | 153.2 | 177.7 | -72.8 | 68.9 | 0 | 0 | 0 | 112.1 | ||||
| 631 | N | 29 | Very low | 31.7 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | 177.5 | 137.4 | 102 | -87.6 | -50.7 | 0 | 0 | 0 | 113.1 | |||||
| 632 | V | 33.3 | Very low | 31.6 | Very low | 125 Ų | 125 | 139 Ų | 139 | 76% | 0.758 | 79% | 0.792 | S | S | * | * | trans | -109.9 | 143.5 | 158.1 | 174.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 633 | P | 39.2 | Very low | 31.4 | Very low | 122 Ų | 122 | 137 Ų | 137 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | trans | -135.3 | 161.2 | 139.7 | 33.2 | -19.2 | 0 | 0 | 0 | 114 | ||||
| 634 | D | 28.3 | Very low | 31.3 | Very low | 146 Ų | 146 | 137.4 Ų | 137.4 | 78% | 0.781 | 80% | 0.796 | S | S | * | * | trans | -84.1 | 158.5 | -167.4 | -69.7 | -65.4 | 0 | 0 | 0 | 117 | ||||
| 635 | S | 29.6 | Very low | 31.2 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | 52.1 | 119.3 | 141.6 | 68.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 636 | S | 27.9 | Very low | 31.4 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 88% | 0.881 | 81% | 0.807 | S | S | * | * | -176.2 | 148.2 | 118.9 | 31.8 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 637 | L | 31.9 | Very low | 31.3 | Very low | 167 Ų | 167 | 128.7 Ų | 128.7 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -98.8 | -178.9 | 173.6 | -72.7 | 172.8 | 0 | 0 | 0 | 110 | ||||
| 638 | P | 48.3 | Very low | 31.3 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | cis | -129.8 | 176.9 | -35.8 | 32.8 | -15.8 | 0 | 0 | 0 | 112.3 | ||||
| 639 | A | 27.5 | Very low | 31.5 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | -158.8 | 144.8 | 150.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 640 | E | 28.1 | Very low | 31.8 | Very low | 171 Ų | 171 | 131.5 Ų | 131.5 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | trans | -67.8 | 155.5 | 173.1 | -64 | 155.3 | 114.5 | 0 | 0 | 111.9 | ||||
| 641 | N | 29.6 | Very low | 32.1 | Very low | 158 Ų | 158 | 131.2 Ų | 131.2 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | -179.4 | 158.2 | 110 | -90.7 | -60.5 | 0 | 0 | 0 | 112.1 | |||||
| 642 | E | 30.1 | Very low | 32.2 | Very low | 186 Ų | 186 | 128.8 Ų | 128.8 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | trans | -76.4 | 149 | -167.2 | -55.6 | 167.8 | 112.5 | 0 | 0 | 114.2 | ||||
| 643 | A | 29.8 | Very low | 32.2 | Very low | 88 Ų | 88 | 131.1 Ų | 131.1 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | 157.5 | 111.6 | 109.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 644 | T | 29.1 | Very low | 31.8 | Very low | 146 Ų | 146 | 131.2 Ų | 131.2 | 90% | 0.896 | 81% | 0.81 | S | S | * | * | trans | 53 | 101 | 135.5 | -47.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 645 | G | 29.9 | Very low | 32.2 | Very low | 67 Ų | 67 | 130.3 Ų | 130.3 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | trans | -139.8 | 132.7 | 151.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | G647 | G645-G647 PolarHBondContact O-N 3.28Š| ||
| 646 | P | 36.2 | Very low | 32.5 | Very low | 130 Ų | 130 | 133.4 Ų | 133.4 | 84% | 0.844 | 82% | 0.818 | S | S | * | * | trans | -87.8 | 109.3 | -172.1 | 32.6 | -32.7 | 0 | 0 | 0 | 112.7 | ||||
| 647 | G | 27.6 | Very low | 32.6 | Very low | 69 Ų | 69 | 138.6 Ų | 138.6 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | trans | -111 | 118.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G645 | G645-G647 PolarHBondContact O-N 3.28Š| ||
| 648 | F | 33.6 | Very low | 32.3 | Very low | 211 Ų | 211 | 133.9 Ų | 133.9 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | trans | -71.8 | 131.6 | 177.3 | -85.4 | -101.1 | 0 | 0 | 0 | 111.8 | ||||
| 649 | V | 33.2 | Very low | 31.9 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 77% | 0.77 | 82% | 0.816 | S | S | * | * | trans | -122.1 | 136.8 | 169.7 | 179.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 650 | P | 34.6 | Very low | 32.1 | Very low | 114 Ų | 114 | 137 Ų | 137 | 74% | 0.74 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 151.1 | 179.7 | 28.4 | -35.2 | 0 | 0 | 0 | 112.2 | ||
| 651 | P | 37.2 | Very low | 32.2 | Very low | 129 Ų | 129 | 135.7 Ų | 135.7 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 137.1 | -168.2 | 29.9 | -35.3 | 0 | 0 | 0 | 113.6 | ||
| 652 | A | 31 | Very low | 32.7 | Very low | 96 Ų | 96 | 134 Ų | 134 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -84 | 143.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 653 | L | 34.2 | Very low | 32.9 | Very low | 174 Ų | 174 | 130.9 Ų | 130.9 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 137 | -179.5 | -68.1 | 167 | 0 | 0 | 0 | 112 | ||
| 654 | T | 31.1 | Very low | 32.9 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -82 | 131.1 | -178.7 | 51.4 | 0 | 0 | 0 | 0 | 113.1 | ||
| 655 | P | 36.6 | Very low | 33.1 | Very low | 127 Ų | 127 | 135 Ų | 135 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 128.3 | 167.1 | -11.1 | 27.9 | 0 | 0 | 0 | 111.7 | ||
| 656 | I | 35.4 | Very low | 33.2 | Very low | 172 Ų | 172 | 144 Ų | 144 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 141.9 | 173.9 | -65.5 | 175.1 | 0 | 0 | 0 | 110.1 | ||
| 657 | R | 28.8 | Very low | 32.8 | Very low | 236 Ų | 236 | 141.3 Ų | 141.3 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | -115.5 | 132.5 | -168.3 | 177.9 | -176.1 | -178.6 | -177 | 1.7 | 113.6 | ||||
| 658 | G | 27.2 | Very low | 33.7 | Very low | 67 Ų | 67 | 143.3 Ų | 143.3 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | trans | 116.1 | 164.8 | 145.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 659 | P | 38.4 | Very low | 33.7 | Very low | 138 Ų | 138 | 142.1 Ų | 142.1 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | cis | -115.4 | -175.3 | -0.4 | 39.6 | -26.8 | 0 | 0 | 0 | 114.2 | ||||
| 660 | L | 31.8 | Very low | 33.9 | Very low | 148 Ų | 148 | 144.2 Ų | 144.2 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | trans | -121.8 | 151.1 | -165.3 | -103.7 | 170 | 0 | 0 | 0 | 112.5 | ||||
| 661 | L | 31.2 | Very low | 33.9 | Very low | 143 Ų | 143 | 149.9 Ų | 149.9 | 75% | 0.749 | 82% | 0.817 | S | S | * | * | trans | 87.7 | 157.2 | 153.3 | -67.8 | 164.7 | 0 | 0 | 0 | 119.3 | ||||
| 662 | P | 40.5 | Very low | 33.7 | Very low | 122 Ų | 122 | 154.6 Ų | 154.6 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | cis | -121.2 | 161.8 | 8.7 | 39.4 | -25.1 | 0 | 0 | 0 | 117.5 | ||||
| 663 | V | 33.7 | Very low | 34 | Very low | 121 Ų | 121 | 153 Ų | 153 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | trans | -92.7 | 143.4 | 164.3 | 174.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 664 | D | 29.7 | Very low | 34.4 | Very low | 155 Ų | 155 | 150.9 Ų | 150.9 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | trans | -125.5 | 144.2 | 164.4 | -165.1 | 4.1 | 0 | 0 | 0 | 110.5 | ||||
| 665 | M | 32.6 | Very low | 35.3 | Very low | 164 Ų | 164 | 150.4 Ų | 150.4 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | trans | -148 | 106.9 | 179.6 | -89.3 | -157.4 | 179.4 | 0 | 0 | 110.3 | ||||
| 666 | R | 32.6 | Very low | 35.4 | Very low | 257 Ų | 257 | 154.1 Ų | 154.1 | 97% | 0.97 | 81% | 0.81 | S | S | * | * | trans | -176.1 | 128.7 | 153.9 | -106.9 | 164.6 | -161.6 | -111.7 | 4.3 | 112.2 | ||||
| 667 | G | 28.1 | Very low | 36.1 | Very low | 74 Ų | 74 | 151.1 Ų | 151.1 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | trans | 142.3 | 137.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 668 | P | 47.3 | Very low | 36.8 | Very low | 110 Ų | 110 | 145.5 Ų | 145.5 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | trans | -127.1 | 177.9 | -155 | 22.8 | 2.8 | 0 | 0 | 0 | 117.5 | ||||
| 669 | F | 32.8 | Very low | 37.8 | Very low | 186 Ų | 186 | 147.7 Ų | 147.7 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | trans | 103.4 | 105.2 | 157.3 | -62.2 | -72.7 | 0 | 0 | 0 | 121.5 | ||||
| 670 | M | 36.3 | Very low | 38.1 | Very low | 172 Ų | 172 | 146.8 Ų | 146.8 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | 39.4 | 118.5 | 128.4 | -63.7 | -68.5 | -170.2 | 0 | 0 | 121.9 | |||||
| 671 | R | 36.4 | Very low | 38.4 | Very low | 232 Ų | 232 | 146 Ų | 146 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | -174.6 | 123.4 | 116.3 | -105.3 | -179.1 | -175.1 | -156.4 | 4.2 | 115.5 | |||||
| 672 | R | 32.7 | Very low | 38.4 | Very low | 229 Ų | 229 | 143 Ų | 143 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | 49.3 | 113.1 | 129.3 | -135 | 176.9 | -159.4 | 167.9 | 5.2 | 120.4 | |||||
| 673 | G | 35.7 | Very low | 37.8 | Very low | 63 Ų | 63 | 143.9 Ų | 143.9 | 65% | 0.649 | 80% | 0.803 | S | S | * | * | trans | -76.4 | -175.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 674 | P | 44.3 | Very low | 37.8 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | -147.9 | -159.9 | 97.5 | 45.6 | -27.6 | 0 | 0 | 0 | 112.9 | |||||
| 675 | P | 48.9 | Very low | 37.9 | Very low | 114 Ų | 114 | 149.3 Ų | 149.3 | 74% | 0.74 | 81% | 0.814 | S | S | * | * | -127.5 | 167.3 | -98 | 37.5 | -18.5 | 0 | 0 | 0 | 115.6 | |||||
| 676 | F | 39.4 | Very low | 37.7 | Very low | 205 Ų | 205 | 144.9 Ų | 144.9 | 90% | 0.899 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 151.5 | 161.4 | -78.3 | -78.2 | 0 | 0 | 0 | 110.7 | ||
| 677 | P | 49.5 | Very low | 37.4 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 71% | 0.714 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 157.9 | -166.4 | 30.6 | -36.4 | 0 | 0 | 0 | 114.3 | ||
| 678 | P | 43.8 | Very low | 37.7 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 151.5 | 179.1 | 32.3 | -35.8 | 0 | 0 | 0 | 113 | ||
| 679 | P | 47.2 | Very low | 37.5 | Very low | 114 Ų | 114 | 139 Ų | 139 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -71 | 156.4 | 165 | 31.9 | -34.3 | 0 | 0 | 0 | 111.4 | ||
| 680 | P | 45.3 | Very low | 37.4 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 157.2 | -178.4 | 28.4 | -34.7 | 0 | 0 | 0 | 113.3 | ||
| 681 | P | 39.1 | Very low | 37 | Very low | 132 Ų | 132 | 137 Ų | 137 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 139.8 | -169.2 | -6.2 | 24.8 | 0 | 0 | 0 | 112.7 | ||
| 682 | G | 30.5 | Very low | 36.8 | Very low | 78 Ų | 78 | 134.3 Ų | 134.3 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -82.1 | -170.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 683 | T | 27.8 | Very low | 37.3 | Very low | 142 Ų | 142 | 128.8 Ų | 128.8 | 87% | 0.871 | 78% | 0.781 | S | S | * | * | trans | -134.1 | 123.6 | 160.1 | 39.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 684 | M | 34.6 | Very low | 37.5 | Very low | 175 Ų | 175 | 131.2 Ų | 131.2 | 86% | 0.862 | 79% | 0.786 | S | S | * | * | trans | -104.4 | 170.9 | 155.1 | -79.7 | -159.4 | -169.9 | 0 | 0 | 108.5 | ||||
| 685 | F | 31.1 | Very low | 37 | Very low | 214 Ų | 214 | 136.4 Ų | 136.4 | 94% | 0.939 | 79% | 0.789 | S | S | * | * | trans | 72.5 | 129.6 | -170.2 | -52.4 | -80.3 | 0 | 0 | 0 | 113.5 | ||||
| 686 | G | 27.9 | Very low | 36.2 | Very low | 71 Ų | 71 | 138.3 Ų | 138.3 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | cis | 173.9 | 175.9 | -5.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 687 | A | 27.1 | Very low | 36.1 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | trans | 53.6 | 125.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 688 | S | 34.7 | Very low | 35.7 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -70.9 | 149.7 | 150.1 | -161.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 689 | P | 41.5 | Very low | 35.2 | Very low | 105 Ų | 105 | 133.1 Ų | 133.1 | 68% | 0.682 | 79% | 0.789 | S | S | * | * | -151.4 | 149.7 | 94.4 | 36.7 | -17.6 | 0 | 0 | 0 | 117.9 | |||||
| 690 | D | 30.7 | Very low | 34.9 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 69% | 0.69 | 79% | 0.792 | S | S | * | * | trans | 57.7 | 131.5 | 135.9 | -59.5 | -26.9 | 0 | 0 | 0 | 125.4 | ||||
| 691 | Y | 29.2 | Very low | 34.7 | Very low | 187 Ų | 187 | 134 Ų | 134 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | 38.8 | 136.8 | 138.5 | -72.7 | -79.3 | 0 | 0 | 0 | 120.7 | ||||
| 692 | F | 31.5 | Very low | 34.6 | Very low | 175 Ų | 175 | 139.4 Ų | 139.4 | 77% | 0.768 | 80% | 0.798 | S | S | * | * | cis | -171.2 | -170.6 | 26.2 | -106.3 | -58.2 | 0 | 0 | 0 | 106.9 | ||||
| 693 | P | 42.9 | Very low | 34.8 | Very low | 112 Ų | 112 | 140 Ų | 140 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | cis | -124.6 | -163.8 | -33.2 | 42.4 | -23.6 | 0 | 0 | 0 | 111.3 | ||||
| 694 | P | 40.4 | Very low | 35.3 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | trans | -95.8 | 168.5 | -162.8 | 39.1 | -35.9 | 0 | 0 | 0 | 116.4 | ||||
| 695 | R | 34.9 | Very low | 35.2 | Very low | 237 Ų | 237 | 140.9 Ų | 140.9 | 89% | 0.894 | 80% | 0.795 | S | S | * | * | trans | -142.1 | 119.3 | 162.6 | -108.8 | -173.2 | -180 | -104.8 | 0.8 | 113 | ||||
| 696 | D | 31.4 | Very low | 35.2 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -80.1 | 131.8 | 169.5 | -58.9 | -75.2 | 0 | 0 | 0 | 112.4 | ||||
| 697 | V | 36.1 | Very low | 35.3 | Very low | 127 Ų | 127 | 141 Ų | 141 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | -149.2 | 132 | 150.3 | -169.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 698 | P | 41.6 | Very low | 35.7 | Very low | 130 Ų | 130 | 147.1 Ų | 147.1 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | trans | -83.9 | 144.9 | -166.3 | 31.8 | -36.3 | 0 | 0 | 0 | 114.8 | ||||
| 699 | G | 34.1 | Very low | 35.4 | Very low | 66 Ų | 66 | 149.2 Ų | 149.2 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | trans | -115.1 | 151.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 700 | P | 41.1 | Very low | 35.2 | Very low | 124 Ų | 124 | 149.8 Ų | 149.8 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 157 | -166.6 | 29.3 | -35.8 | 0 | 0 | 0 | 114.4 | ||
| 701 | P | 41.5 | Very low | 35.4 | Very low | 128 Ų | 128 | 154.2 Ų | 154.2 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 141.8 | -167.3 | 28.5 | -35.7 | 0 | 0 | 0 | 113.8 | ||
| 702 | R | 36.6 | Very low | 36 | Very low | 245 Ų | 245 | 150.8 Ų | 150.8 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 135.7 | 167.7 | -67.1 | -175 | 176.1 | -153.4 | -0.9 | 110.1 | ||
| 703 | A | 33.8 | Very low | 36.5 | Very low | 91 Ų | 91 | 148.6 Ų | 148.6 | 75% | 0.752 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 141.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 704 | P | 38.2 | Very low | 36.3 | Very low | 123 Ų | 123 | 154.4 Ų | 154.4 | 80% | 0.799 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 151 | 178.3 | 31.1 | -34.6 | 0 | 0 | 0 | 112.5 | A706 | P704-A706 PolarHBondContact O-N 3.16Š|
| 705 | F | 33.1 | Very low | 35.8 | Very low | 212 Ų | 212 | 152.3 Ų | 152.3 | 93% | 0.93 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 127.3 | 171.7 | -76.3 | -98.1 | 0 | 0 | 0 | 111.1 | ||
| 706 | A | 32 | Very low | 35.9 | Very low | 102 Ų | 102 | 149.8 Ų | 149.8 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 141.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | P704 | P704-A706 PolarHBondContact O-N 3.16Š|
| 707 | M | 29.5 | Very low | 36.7 | Very low | 184 Ų | 184 | 148.1 Ų | 148.1 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 167.4 | -178.5 | -70.4 | -172.5 | 174.3 | 0 | 0 | 114.1 | ||
| 708 | R | 35.8 | Very low | 37.3 | Very low | 235 Ų | 235 | 146.9 Ų | 146.9 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | trans | -40.9 | 134.2 | 163.4 | -85.2 | 172.7 | 158.8 | 168.7 | -7.3 | 113.9 | ||||
| 709 | N | 28.1 | Very low | 37 | Very low | 153 Ų | 153 | 151.5 Ų | 151.5 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -114 | 135.5 | 137.3 | -70.2 | -45.6 | 0 | 0 | 0 | 105.9 | ||||
| 710 | V | 35.9 | Very low | 37.3 | Very low | 116 Ų | 116 | 156.4 Ų | 156.4 | 70% | 0.703 | 82% | 0.823 | S | S | * | * | cis | 69 | 92.4 | 48.4 | -172.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 711 | Y | 35.3 | Very low | 37.4 | Very low | 222 Ų | 222 | 156 Ų | 156 | 87% | 0.871 | 82% | 0.82 | S | S | * | * | trans | 50.8 | 132.4 | 169.2 | -71 | -81.9 | 0 | 0 | 0 | 120.9 | ||||
| 712 | P | 42.3 | Very low | 37.5 | Very low | 116 Ų | 116 | 155.9 Ų | 155.9 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 150.5 | 152.3 | 35.2 | -30.2 | 0 | 0 | 0 | 111.7 | ||
| 713 | P | 41.6 | Very low | 37.7 | Very low | 128 Ų | 128 | 155.5 Ų | 155.5 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 161.4 | -173.2 | 35.3 | -36.5 | 0 | 0 | 0 | 114.3 | ||
| 714 | R | 38.6 | Very low | 38 | Very low | 235 Ų | 235 | 157.1 Ų | 157.1 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 120.5 | 174.5 | -157.7 | -177.8 | -146.9 | -131.7 | 7.4 | 110 | ||
| 715 | G | 30.5 | Very low | 37.8 | Very low | 71 Ų | 71 | 154.5 Ų | 154.5 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | trans | -132.5 | 132.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 716 | F | 37.9 | Very low | 38.1 | Very low | 183 Ų | 183 | 154.6 Ų | 154.6 | 80% | 0.803 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 142.9 | 177.8 | -71.3 | -97.7 | 0 | 0 | 0 | 111.4 | ||
| 717 | P | 48.2 | Very low | 38.3 | Very low | 119 Ų | 119 | 155.4 Ų | 155.4 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 141.3 | 165 | 33.9 | -31.4 | 0 | 0 | 0 | 111.3 | ||
| 718 | P | 47.4 | Very low | 38.9 | Very low | 102 Ų | 102 | 151.7 Ų | 151.7 | 66% | 0.662 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 159 | 165.9 | 35.8 | -32.5 | 0 | 0 | 0 | 112.1 | ||
| 719 | Y | 35.4 | Very low | 39.5 | Very low | 226 Ų | 226 | 146.6 Ų | 146.6 | 89% | 0.886 | 80% | 0.802 | S | S | * | * | trans | 80.9 | 127 | 171 | -56.5 | -74.6 | 0 | 0 | 0 | 119.2 | ||||
| 720 | L | 39.8 | Very low | 39.9 | Very low | 169 Ų | 169 | 145.4 Ų | 145.4 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -93 | 142.4 | 171.4 | -67.1 | 161.2 | 0 | 0 | 0 | 110 | ||
| 721 | P | 43.7 | Very low | 40.5 | Very low | 116 Ų | 116 | 145.6 Ų | 145.6 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 148.3 | 163.8 | 32.2 | -32.6 | 0 | 0 | 0 | 111.2 | ||
| 722 | P | 44.2 | Very low | 41.2 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 148.3 | -174.5 | 30.9 | -35.2 | 0 | 0 | 0 | 113.8 | ||
| 723 | R | 40.9 | Very low | 41.6 | Very low | 237 Ų | 237 | 149.4 Ų | 149.4 | 89% | 0.894 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 130.2 | 173.9 | -175.7 | -174.5 | -170.4 | -171.2 | 4.5 | 110.7 | G725 | R723-G725 PolarHBondContact O-N 3.1Š|
| 724 | P | 39.9 | Very low | 41.6 | Very low | 126 Ų | 126 | 150.5 Ų | 150.5 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 121.3 | 170.2 | -21.5 | 33.6 | 0 | 0 | 0 | 110.7 | ||
| 725 | G | 33.8 | Very low | 41.7 | Very low | 68 Ų | 68 | 146 Ų | 146 | 70% | 0.701 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 163 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | R723 | R723-G725 PolarHBondContact O-N 3.1Š|
| 726 | F | 38.4 | Very low | 42.3 | Very low | 213 Ų | 213 | 150.2 Ų | 150.2 | 93% | 0.934 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 146.4 | 170.2 | -84.3 | -111.7 | 0 | 0 | 0 | 111.8 | ||
| 727 | C | 36.3 | Very low | 42.6 | Very low | 119 Ų | 119 | 148.2 Ų | 148.2 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | -115.2 | 142.8 | 155.1 | -72 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 728 | P | 43.3 | Very low | 42.3 | Very low | 107 Ų | 107 | 150.1 Ų | 150.1 | 70% | 0.695 | 83% | 0.831 | S | S | * | * | trans | -82.3 | 165 | -179.6 | 35.1 | -36.3 | 0 | 0 | 0 | 112.4 | ||||
| 729 | P | 48.3 | Very low | 41.9 | Very low | 128 Ų | 128 | 153.3 Ų | 153.3 | 83% | 0.831 | 84% | 0.842 | S | S | * | * | trans | -80.7 | 145.7 | 174.5 | 34.1 | -34.4 | 0 | 0 | 0 | 112.1 | ||||
| 730 | T | 35.9 | Very low | 42.4 | Very low | 127 Ų | 127 | 148.1 Ų | 148.1 | 78% | 0.779 | 84% | 0.839 | S | S | * | * | trans | -141.1 | 160.6 | 170.6 | 61.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 731 | P | 49.3 | Very low | 42.6 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 78% | 0.779 | 84% | 0.836 | S | S | * | * | -114.4 | 170.4 | -107.8 | 9.7 | 14.6 | 0 | 0 | 0 | 114 | |||||
| 732 | T | 49.8 | Very low | 42.5 | Very low | 131 Ų | 131 | 149 Ų | 149 | 80% | 0.804 | 84% | 0.843 | S | S | * | * | trans | -61.3 | 130.6 | 166.1 | 43.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 733 | F | 49.7 | Very low | 42.3 | Very low | 287 Ų | 287 | 151.2 Ų | 151.2 | 100% | 1.259 | 85% | 0.845 | S | S | * | * | trans | -147.3 | 0 | 140 | -97.8 | -72.3 | 0 | 0 | 0 | 108.8 |
Retrieved 733 of 733 residues in 886.2 ms
(Link to these results)