| 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 | 36.8 | Very low | 42.8 | Very low | 230 Ų | 230 | 174.2 Ų | 174.2 | 100% | 1.133 | 87% | 0.873 | S | S | * | * | 0 | 110.9 | 0 | -72.2 | -56.8 | -167.1 | 0 | 0 | 108.9 | |||||
| 2 | S | 42.2 | Very low | 43 | Very low | 116 Ų | 116 | 171.4 Ų | 171.4 | 81% | 0.811 | 86% | 0.863 | S | S | * | * | trans | -95.6 | 124 | -179.8 | 48.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 3 | F | 35.6 | Very low | 42.8 | Very low | 194 Ų | 194 | 170.9 Ų | 170.9 | 85% | 0.851 | 86% | 0.856 | S | S | * | * | trans | -130.5 | 104.2 | 168.7 | -84.5 | -75.2 | 0 | 0 | 0 | 110.4 | ||||
| 4 | S | 44.2 | Very low | 42.9 | Very low | 126 Ų | 126 | 171.1 Ų | 171.1 | 88% | 0.881 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 119.8 | 169.1 | 32.7 | 0 | 0 | 0 | 0 | 109.8 | ||
| 5 | R | 41.4 | Very low | 43.6 | Very low | 245 Ų | 245 | 170.1 Ų | 170.1 | 93% | 0.925 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 136.5 | 170.2 | -88.3 | -176.1 | 162.9 | 170.1 | -4.3 | 110.6 | ||
| 6 | A | 47.7 | Very low | 43.6 | Very low | 85 Ų | 85 | 163.3 Ų | 163.3 | 70% | 0.702 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 154.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L8 | A6-L8 PolarHBondContact O-N 2.67Š|
| 7 | P | 41.2 | Very low | 44.3 | Very low | 128 Ų | 128 | 161.4 Ų | 161.4 | 83% | 0.831 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 122.7 | 175.9 | 27.2 | -34.4 | 0 | 0 | 0 | 111.6 | K9 | P7-K9 PolarHBondContact O-N 3.16Š|
| 8 | L | 43 | Very low | 45 | Very low | 168 Ų | 168 | 156.4 Ų | 156.4 | 88% | 0.88 | 82% | 0.824 | S | S | * | * | trans | -73.2 | 94.9 | 174.6 | -83.9 | 164.4 | 0 | 0 | 0 | 110.7 | A6 R10 | A6-L8 PolarHBondContact O-N 2.67Å; L8-R10 PolarHBondContact O-N 3.46Å | ||
| 9 | K | 48.2 | Very low | 45.5 | Very low | 186 Ų | 186 | 151.6 Ų | 151.6 | 81% | 0.809 | 80% | 0.803 | S | S | * | * | trans | -63.4 | 104.8 | 176.2 | -157.4 | 173.6 | -170.8 | 179.4 | 0 | 110 | P7 | P7-K9 PolarHBondContact O-N 3.16Š| ||
| 10 | R | 46.1 | Very low | 46 | Very low | 226 Ų | 226 | 148.2 Ų | 148.2 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -74.1 | 132.8 | -178.6 | -76.2 | -172.2 | 174.7 | -122.4 | 1.1 | 110.9 | L8 N12 | L8-R10 PolarHBondContact O-N 3.46Å; R10-N12 VanDerWaalsContact C-N 3.35Å; R10-N12 PolarHBondContact O-N 3.14Å | ||
| 11 | F | 44.5 | Very low | 46.3 | Very low | 212 Ų | 212 | 147.6 Ų | 147.6 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -88.7 | 58.9 | -163.3 | -144 | -86.9 | 0 | 0 | 0 | 112.8 | ||
| 12 | N | 45.2 | Very low | 47.3 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | trans | -158.5 | 35.6 | 166.9 | -134.6 | 3.6 | 0 | 0 | 0 | 116.2 | R10 H14 | R10-N12 VanDerWaalsContact C-N 3.35Å; R10-N12 PolarHBondContact O-N 3.14Å; N12-H14 VanDerWaalsContact C-N 3.34Å; N12-H14 PolarHBondContact O-N 3.43Å | ||
| 13 | E | 39.8 | Very low | 47.9 | Very low | 165 Ų | 165 | 138.4 Ų | 138.4 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | trans | -77.2 | 84.2 | 167.5 | -73.8 | -179.1 | 160.5 | 0 | 0 | 110.5 | I15 | E13-I15 PolarHBondContact O-N 2.83Š| ||
| 14 | H | 44.2 | Very low | 48.8 | Very low | 173 Ų | 173 | 136.4 Ų | 136.4 | 80% | 0.801 | 75% | 0.753 | S | S | * | * | trans | -68.3 | 112.7 | 160.9 | -101.9 | -66.8 | 0 | 0 | 0 | 108.9 | N12 G16 | N12-H14 VanDerWaalsContact C-N 3.34Å; N12-H14 PolarHBondContact O-N 3.43Å; H14-G16 VanDerWaalsContact C-N 3.25Å; H14-G16 PolarHBondContact O-N 2.73Å | ||
| 15 | I | 53.3 | Low | 49.4 | Very low | 157 Ų | 157 | 136 Ų | 136 | 81% | 0.805 | 74% | 0.741 | S | S | * | * | trans | -70.7 | 83.7 | 174.3 | -56.2 | 174.4 | 0 | 0 | 0 | 108.7 | E13 | E13-I15 PolarHBondContact O-N 2.83Š| ||
| 16 | G | 44.6 | Very low | 49.7 | Very low | 61 Ų | 61 | 131.7 Ų | 131.7 | 63% | 0.629 | 74% | 0.735 | S | S | * | * | trans | -91 | 112.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | H14 A18 | H14-G16 VanDerWaalsContact C-N 3.25Å; H14-G16 PolarHBondContact O-N 2.73Å; G16-A18 VanDerWaalsContact C-N 3.25Å; G16-A18 PolarHBondContact O-N 2.99Å | ||
| 17 | C | 54.4 | Low | 49.7 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 88% | 0.878 | 74% | 0.736 | S | S | * | * | trans | -75.1 | 69.7 | -175.7 | -61.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 18 | A | 57 | Low | 50.2 | Low | 72 Ų | 72 | 135.6 Ų | 135.6 | 60% | 0.595 | 74% | 0.739 | S | S | * | * | trans | -140.7 | 129.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | G16 | G16-A18 VanDerWaalsContact C-N 3.25Å; G16-A18 PolarHBondContact O-N 2.99Å | ||
| 19 | P | 54.6 | Low | 50.1 | Low | 65 Ų | 65 | 131 Ų | 131 | 42% | 0.422 | 73% | 0.732 | S | S | . | * | trans | -71.7 | 152.3 | 176.3 | 31.2 | -35.5 | 0 | 0 | 0 | 111.2 | Y24 | P19-Y24 WeakPolarHBondContact CD-OH 3.23Å; P19-Y24 HydrophobicContact CG-CE1 4.07Å; P19-Y24 HydrophobicContact CG-CE2 3.95Å | ||
| 20 | P | 56 | Low | 50.4 | Low | 84 Ų | 84 | 129.9 Ų | 129.9 | 55% | 0.545 | 74% | 0.735 | S | S | . | * | trans | -67.1 | 154.7 | -174 | 25.1 | -31.3 | 0 | 0 | 0 | 112.8 | G22 S23 | P20-G22 PolarHBondContact O-N 3.03Å; P20-G22 VanDerWaalsContact O-N 3.1Å; P20-S23 WeakPolarHBondContact O-CB 3.32Å; P20-S23 PolarHBondContact O-N 3.06Å; P20-S23 PolarHBondContact O-OG 2.85Å | ||
| 21 | P | 51.6 | Low | 50.3 | Low | 135 Ų | 135 | 125.5 Ų | 125.5 | 88% | 0.877 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | 115.1 | -179.4 | 26.2 | -33.9 | 0 | 0 | 0 | 110.3 | ||
| 22 | G | 58.9 | Low | 50.3 | Low | 79 Ų | 79 | 125.1 Ų | 125.1 | 81% | 0.814 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 123.9 | -19.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | P20 | P20-G22 PolarHBondContact O-N 3.03Å; P20-G22 VanDerWaalsContact O-N 3.1Å |
| 23 | S | 55.2 | Low | 50 | Low | 74 Ų | 74 | 122.4 Ų | 122.4 | 52% | 0.517 | 74% | 0.737 | S | S | . | * | trans | -92.3 | 14.4 | -177.8 | -56.2 | 0 | 0 | 0 | 0 | 115.3 | P20 | P20-S23 WeakPolarHBondContact O-CB 3.32Å; P20-S23 PolarHBondContact O-N 3.06Å; P20-S23 PolarHBondContact O-OG 2.85Å | ||
| 24 | Y | 54.8 | Low | 49.8 | Very low | 152 Ų | 152 | 119.4 Ų | 119.4 | 60% | 0.596 | 74% | 0.74 | S | S | * | * | trans | -95.6 | 95.3 | -178.7 | -72.8 | -90.5 | 0 | 0 | 0 | 111.1 | P19 I26 | P19-Y24 WeakPolarHBondContact CD-OH 3.23Å; P19-Y24 HydrophobicContact CG-CE1 4.07Å; P19-Y24 HydrophobicContact CG-CE2 3.95Å; Y24-I26 PolarHBondContact O-N 3.33Å | ||
| 25 | D | 56 | Low | 49.8 | Very low | 117 Ų | 117 | 115.6 Ų | 115.6 | 63% | 0.626 | 74% | 0.738 | S | S | * | * | trans | -73.6 | 99.4 | 174.1 | -174.6 | 29.5 | 0 | 0 | 0 | 110.2 | K27 | D25-K27 VanDerWaalsContact C-N 3.34Å; D25-K27 PolarHBondContact O-N 3.29Å; D25-K27 WeakPolarHBondContact OD2-CE 3.19Å; D25-K27 IonicContact OD2-NZ 2.7Å; D25-K27 PolarHBondContact OD2-NZ 3.26Å | ||
| 26 | I | 48.3 | Very low | 49.1 | Very low | 155 Ų | 155 | 113.5 Ų | 113.5 | 80% | 0.795 | 74% | 0.738 | S | S | * | * | trans | -77.2 | 83.2 | -173.8 | -52.2 | -178.8 | 0 | 0 | 0 | 110.4 | Y24 | Y24-I26 PolarHBondContact O-N 3.33Š| ||
| 27 | K | 46.8 | Very low | 48.8 | Very low | 166 Ų | 166 | 119.9 Ų | 119.9 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | trans | -89.8 | 119 | 166.9 | -75.7 | 169 | 176.2 | 146.5 | 0 | 110 | D25 G29 | D25-K27 VanDerWaalsContact C-N 3.34Å; D25-K27 PolarHBondContact O-N 3.29Å; D25-K27 WeakPolarHBondContact OD2-CE 3.19Å; D25-K27 IonicContact OD2-NZ 2.7Å; D25-K27 PolarHBondContact OD2-NZ 3.26Å; K27-G29 PolarHBondContact O-N 3.2Å | ||
| 28 | S | 52.8 | Low | 48 | Very low | 129 Ų | 129 | 121.2 Ų | 121.2 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | trans | -63 | 111.5 | -177.1 | -50.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 29 | G | 39.9 | Very low | 47.7 | Very low | 71 Ų | 71 | 127.5 Ų | 127.5 | 73% | 0.732 | 76% | 0.761 | S | S | * | * | trans | -156.7 | 133.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K27 | K27-G29 PolarHBondContact O-N 3.2Š| ||
| 30 | D | 53.6 | Low | 47.9 | Very low | 163 Ų | 163 | 129.6 Ų | 129.6 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | trans | -76.2 | 132.3 | -168.3 | -62.3 | -76.1 | 0 | 0 | 0 | 115.5 | ||||
| 31 | V | 44.2 | Very low | 47.2 | Very low | 134 Ų | 134 | 131.5 Ų | 131.5 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -143.2 | 99.6 | 142.9 | -172 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 32 | K | 45.4 | Very low | 47 | Very low | 204 Ų | 204 | 136.1 Ų | 136.1 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | trans | 30 | 117.8 | 136.7 | -55.6 | 171.2 | -175.3 | 172.1 | 0 | 120.3 | ||||
| 33 | G | 38.6 | Very low | 46.3 | Very low | 85 Ų | 85 | 142 Ų | 142 | 88% | 0.876 | 79% | 0.786 | S | S | * | * | trans | 114.3 | 138.2 | 148.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 34 | A | 36.2 | Very low | 45.3 | Very low | 102 Ų | 102 | 148.6 Ų | 148.6 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | cis | -123.7 | 162.9 | -0.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S36 | A34-S36 PolarHBondContact O-N 3.17Š| ||
| 35 | A | 43.6 | Very low | 44.6 | Very low | 92 Ų | 92 | 146.3 Ų | 146.3 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | trans | -72.2 | 117.4 | -162.9 | 0 | 0 | 0 | 0 | 0 | 115 | F37 | A35-F37 HydrophobicContact CB-CE2 4.32Š| ||
| 36 | S | 37.9 | Very low | 43.5 | Very low | 114 Ų | 114 | 147.8 Ų | 147.8 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | trans | -103.1 | 119.7 | 158.8 | 52.8 | 0 | 0 | 0 | 0 | 109.8 | A34 N38 | A34-S36 PolarHBondContact O-N 3.17Å; S36-N38 PolarHBondContact O-N 2.92Å | ||
| 37 | F | 40.2 | Very low | 42.8 | Very low | 194 Ų | 194 | 149.9 Ų | 149.9 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | -87.6 | 102.8 | 178.7 | -80.6 | -84.2 | 0 | 0 | 0 | 111 | A35 | A35-F37 HydrophobicContact CB-CE2 4.32Š| ||
| 38 | N | 36.3 | Very low | 42.4 | Very low | 158 Ų | 158 | 146.4 Ų | 146.4 | 85% | 0.845 | 83% | 0.832 | S | S | * | * | trans | -88.5 | 127.6 | 170.3 | -139.6 | -9.3 | 0 | 0 | 0 | 110.1 | S36 S40 | S36-N38 PolarHBondContact O-N 2.92Å; N38-S40 PolarHBondContact O-N 3.32Å | ||
| 39 | K | 51.6 | Low | 41.4 | Very low | 205 Ų | 205 | 145 Ų | 145 | 89% | 0.891 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -94.4 | 76.2 | -168.8 | -73.2 | -176.9 | 177.3 | 176.8 | 0 | 112.7 | ||
| 40 | S | 57.3 | Low | 41 | Very low | 108 Ų | 108 | 146.9 Ų | 146.9 | 76% | 0.755 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -156.6 | 31 | 171.8 | 63.3 | 0 | 0 | 0 | 0 | 115.6 | N38 | N38-S40 PolarHBondContact O-N 3.32Š|
| 41 | D | 42.8 | Very low | 39.9 | Very low | 125 Ų | 125 | 142.8 Ų | 142.8 | 67% | 0.668 | 83% | 0.832 | S | S | * | * | trans | -151.9 | 113 | 165.3 | -123.8 | -33 | 0 | 0 | 0 | 110.6 | ||||
| 42 | R | 46.4 | Very low | 39.3 | Very low | 232 Ų | 232 | 140.6 Ų | 140.6 | 88% | 0.875 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -154.5 | -2.3 | 172.6 | -125.3 | 177.7 | -160.1 | -115.6 | -0.6 | 116.1 | ||
| 43 | F | 43.5 | Very low | 38.8 | Very low | 201 Ų | 201 | 138.2 Ų | 138.2 | 88% | 0.882 | 83% | 0.825 | S | S | * | * | trans | -142.4 | 86.6 | 175 | -65.1 | -71 | 0 | 0 | 0 | 110.5 | ||||
| 44 | R | 35.3 | Very low | 38.6 | Very low | 213 Ų | 213 | 142.5 Ų | 142.5 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 122.9 | 152.3 | -78.4 | -167.4 | 177.2 | -130.2 | 1.1 | 108 | ||
| 45 | A | 39.7 | Very low | 38.4 | Very low | 104 Ų | 104 | 145.4 Ų | 145.4 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 133.6 | 170 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 46 | T | 32.3 | Very low | 39 | Very low | 148 Ų | 148 | 146.4 Ų | 146.4 | 91% | 0.908 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 138.1 | 178 | -39.5 | 0 | 0 | 0 | 0 | 110.3 | ||
| 47 | K | 35.3 | Very low | 39.4 | Very low | 199 Ų | 199 | 146.8 Ų | 146.8 | 87% | 0.865 | 83% | 0.827 | S | S | * | * | trans | -106.1 | 109.6 | -173 | -173 | 179.1 | 179 | -177.6 | 0 | 112.4 | ||||
| 48 | A | 36.5 | Very low | 39 | Very low | 94 Ų | 94 | 142.8 Ų | 142.8 | 78% | 0.777 | 82% | 0.822 | S | S | * | * | trans | 35.6 | 133.7 | 151.8 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 49 | A | 32.1 | Very low | 39.6 | Very low | 99 Ų | 99 | 141.1 Ų | 141.1 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | -173.4 | 144.6 | 113.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 50 | A | 32.8 | Very low | 38.6 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | 62.5 | 140.6 | 152.7 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 51 | G | 30.3 | Very low | 37.5 | Very low | 77 Ų | 77 | 142.6 Ų | 142.6 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | 138.7 | 67.3 | 148.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 52 | A | 31.4 | Very low | 37 | Very low | 89 Ų | 89 | 142.1 Ų | 142.1 | 74% | 0.736 | 83% | 0.826 | S | S | * | * | trans | 32.4 | 125 | 150.6 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 53 | D | 35.6 | Very low | 36.2 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | 69.4 | 149.2 | 132.7 | -56.6 | -19.3 | 0 | 0 | 0 | 125.5 | ||||
| 54 | L | 32.7 | Very low | 35.7 | Very low | 175 Ų | 175 | 135.6 Ų | 135.6 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | trans | 91.7 | 122.2 | 163.5 | -53.7 | -176 | 0 | 0 | 0 | 120.6 | ||||
| 55 | L | 32.1 | Very low | 35.5 | Very low | 163 Ų | 163 | 133.5 Ų | 133.5 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | trans | -108.8 | 171.3 | 166.8 | -77.4 | 167 | 0 | 0 | 0 | 109.1 | ||||
| 56 | P | 58 | Low | 35.1 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | cis | -121.4 | -144.4 | -38.6 | 40.9 | -23 | 0 | 0 | 0 | 108.4 | ||||
| 57 | P | 44.4 | Very low | 35.9 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | cis | -132.7 | 176.9 | 37.8 | 37.7 | -16.7 | 0 | 0 | 0 | 116.4 | ||||
| 58 | S | 32.6 | Very low | 35.8 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | -78.5 | -179.3 | 169.8 | -26.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 59 | P | 48.5 | Very low | 35.8 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | cis | -133.5 | -154.3 | 23 | 45.2 | -24.2 | 0 | 0 | 0 | 112.7 | ||||
| 60 | S | 32.1 | Very low | 36.2 | Very low | 102 Ų | 102 | 142 Ų | 142 | 71% | 0.713 | 82% | 0.817 | S | S | * | * | cis | -156.5 | 138.5 | 4.9 | 55.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 61 | R | 34.2 | Very low | 36.5 | Very low | 242 Ų | 242 | 142.4 Ų | 142.4 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | trans | 36.4 | 111.2 | 134.7 | -158.1 | -175.2 | -155.8 | -171.8 | 7.7 | 120.4 | ||||
| 62 | S | 31.6 | Very low | 36.7 | Very low | 116 Ų | 116 | 146.2 Ų | 146.2 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | -138.2 | 157.7 | 142.2 | 66.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 63 | A | 29.8 | Very low | 37 | Very low | 87 Ų | 87 | 146.8 Ų | 146.8 | 72% | 0.719 | 81% | 0.809 | S | S | * | * | trans | -126.9 | 144.9 | -165.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 64 | F | 32.5 | Very low | 37 | Very low | 209 Ų | 209 | 145.9 Ų | 145.9 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | trans | -114.3 | 137.4 | 163.8 | -72.6 | -83.6 | 0 | 0 | 0 | 109.1 | ||||
| 65 | I | 32.3 | Very low | 37.2 | Very low | 169 Ų | 169 | 145.2 Ų | 145.2 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -120.2 | 136.2 | 173.9 | -64.9 | 176.5 | 0 | 0 | 0 | 107.7 | ||||
| 66 | S | 31.5 | Very low | 37.2 | Very low | 107 Ų | 107 | 141.2 Ų | 141.2 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -117.1 | 152.7 | 178.1 | -146.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 67 | P | 48.5 | Very low | 36.3 | Very low | 122 Ų | 122 | 143.7 Ų | 143.7 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | trans | -91.5 | 153.2 | -159.6 | 35.1 | -35.8 | 0 | 0 | 0 | 114.9 | ||||
| 68 | V | 33 | Very low | 35.6 | Very low | 143 Ų | 143 | 144 Ų | 144 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | -110 | 147.3 | 173.1 | 177.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 69 | R | 37.1 | Very low | 35.6 | Very low | 221 Ų | 221 | 145 Ų | 145 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | -107.1 | 169.2 | 178.5 | -86.7 | -179.4 | 162.8 | -168.3 | -3 | 111.4 | ||||
| 70 | R | 40.1 | Very low | 34.7 | Very low | 229 Ų | 229 | 142.7 Ų | 142.7 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | 84.1 | 147.5 | 167.4 | -48.6 | -168.8 | -164 | 102 | -8.1 | 114.1 | ||||
| 71 | T | 38.4 | Very low | 34.8 | Very low | 119 Ų | 119 | 144 Ų | 144 | 73% | 0.73 | 82% | 0.819 | S | S | * | * | cis | -155.9 | 160.7 | -9.5 | 7.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 72 | L | 34.6 | Very low | 34.8 | Very low | 157 Ų | 157 | 138 Ų | 138 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | -13.2 | 157.5 | 138.1 | -58.1 | 173.6 | 0 | 0 | 0 | 117.6 | ||||
| 73 | S | 38.3 | Very low | 34.9 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | cis | 179.8 | -176.7 | -12.5 | -174.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 74 | V | 34.9 | Very low | 35.1 | Very low | 133 Ų | 133 | 141.3 Ų | 141.3 | 81% | 0.806 | 82% | 0.821 | S | S | * | * | trans | 91.2 | 149.6 | 160.6 | -174 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 75 | D | 37 | Very low | 35.2 | Very low | 162 Ų | 162 | 141.2 Ų | 141.2 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | trans | -76.9 | 167.3 | -164.3 | -52.3 | -90.2 | 0 | 0 | 0 | 118.2 | ||||
| 76 | G | 32.5 | Very low | 35.2 | Very low | 79 Ų | 79 | 140.7 Ų | 140.7 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | trans | -163.3 | 137.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 77 | L | 37.8 | Very low | 35.3 | Very low | 165 Ų | 165 | 139.2 Ų | 139.2 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -106.9 | 137.9 | -176.3 | -82 | 141.6 | 0 | 0 | 0 | 112.5 | ||||
| 78 | T | 31.2 | Very low | 35 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 80% | 0.798 | 82% | 0.817 | S | S | * | * | trans | -179.2 | 108.9 | 141 | 31.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 79 | T | 32.1 | Very low | 35.4 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | 59.5 | 107.8 | 71.2 | 66.2 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 80 | G | 29.7 | Very low | 35.9 | Very low | 76 Ų | 76 | 132.8 Ų | 132.8 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | 166.9 | 85.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 81 | S | 33.3 | Very low | 36.9 | Very low | 129 Ų | 129 | 125.1 Ų | 125.1 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | trans | 56.6 | 152.9 | 153.2 | -97.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 82 | S | 34.4 | Very low | 38.2 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | cis | -150.8 | 155.4 | -11.8 | 72.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 83 | G | 33.5 | Very low | 40 | Very low | 78 Ų | 78 | 125 Ų | 125 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | 178.1 | 57.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 84 | K | 34.9 | Very low | 41.8 | Very low | 194 Ų | 194 | 126 Ų | 126 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | trans | -17.5 | 132 | 175.2 | -69.1 | 171.1 | 179 | 169.4 | 0 | 119 | ||||
| 85 | R | 33.5 | Very low | 43.9 | Very low | 206 Ų | 206 | 125.9 Ų | 125.9 | 78% | 0.777 | 74% | 0.738 | S | S | * | * | trans | 69.6 | 153.3 | 149.9 | -64 | 179.1 | 177.5 | -174 | 1.5 | 116.7 | ||||
| 86 | E | 32.7 | Very low | 46 | Very low | 158 Ų | 158 | 122.2 Ų | 122.2 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | cis | -160 | 168.5 | -10.5 | -117 | 155.5 | -152.6 | 0 | 0 | 108.6 | ||||
| 87 | G | 34.9 | Very low | 48.3 | Very low | 76 Ų | 76 | 123.9 Ų | 123.9 | 78% | 0.784 | 71% | 0.705 | S | S | * | * | trans | 85.4 | 116.5 | 151.5 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 88 | N | 42.2 | Very low | 50.6 | Low | 178 Ų | 178 | 122.2 Ų | 122.2 | 95% | 0.952 | 69% | 0.691 | S | S | * | * | trans | -45.1 | 133.3 | 167.9 | -63.8 | -33.2 | 0 | 0 | 0 | 114.3 | ||||
| 89 | G | 40.9 | Very low | 53.4 | Low | 67 Ų | 67 | 121.6 Ų | 121.6 | 69% | 0.691 | 68% | 0.682 | S | S | * | * | trans | 171.5 | 44.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | T91 | G89-T91 PolarHBondContact O-N 3.36Š| ||
| 90 | M | 46.4 | Very low | 56.1 | Low | 106 Ų | 106 | 119.7 Ų | 119.7 | 52% | 0.522 | 67% | 0.667 | S | S | . | * | trans | -76.3 | 86.7 | 175.8 | -163.9 | 66.2 | 176.4 | 0 | 0 | 110.8 | K94 K95 | M90-K94 HydrophobicContact CE-CB 4.11Å; M90-K94 HydrophobicContact CE-CD 4.02Å; M90-K94 HydrophobicContact CE-CG 3.85Å; M90-K94 HydrophobicContact SD-CD 4.25Å; M90-K95 HydrophobicContact CG-CG 4.45Å | ||
| 91 | T | 61.8 | Low | 58.9 | Low | 68 Ų | 68 | 120.3 Ų | 120.3 | 42% | 0.417 | 65% | 0.649 | S | S | . | * | trans | -55.4 | 147.4 | -174.6 | 67.5 | 0 | 0 | 0 | 0 | 112.4 | G89 E93 K94 K95 | G89-T91 PolarHBondContact O-N 3.36Å; T91-E93 PolarHBondContact O-N 2.91Å; T91-E93 PolarHBondContact OG1-OE2 3.4Å; T91-K94 PolarHBondContact O-N 2.99Å; T91-K95 PolarHBondContact O-N 3.44Å | ||
| 92 | F | 65.6 | Low | 61.6 | Low | 151 Ų | 151 | 121.4 Ų | 121.4 | 66% | 0.662 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -53.3 | -43.1 | -179.9 | -179.9 | -113.9 | 0 | 0 | 0 | 111.6 | K94 K95 Q96 | F92-K94 VanDerWaalsContact C-N 3.32Å; F92-K94 PolarHBondContact O-N 3.04Å; F92-K95 WeakPolarHBondContact O-CB 3.33Å; F92-K95 PolarHBondContact O-N 3.49Å; F92-Q96 HydrophobicContact CD1-CG 4.2Å; F92-Q96 VanDerWaalsContact CD1-OE1 3.24Å; F92-Q96 HydrophobicContact CE1-CG 3.99Å; F92-Q96 VanDerWaalsContact CE1-NE2 3.35Å; F92-Q96 VanDerWaalsContact CE1-OE1 3.25Å; F92-Q96 HydrophobicContact CE2-CG 4.49Å; F92-Q96 HydrophobicContact CZ-CG 4.15Å; F92-Q96 PolarHBondContact O-N 3.1Å |
| 93 | E | 73.3 | Confident | 64.4 | Low | 123 Ų | 123 | 121.1 Ų | 121.1 | 58% | 0.575 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -52.8 | -44.3 | 175.6 | -54.9 | 156.1 | 147.2 | 0 | 0 | 112.5 | T91 K95 Q96 L97 | T91-E93 PolarHBondContact O-N 2.91Å; T91-E93 PolarHBondContact OG1-OE2 3.4Å; E93-K95 PolarHBondContact O-N 3.49Å; E93-Q96 PolarHBondContact O-N 3.4Å; E93-L97 WeakPolarHBondContact O-CB 3.25Å; E93-L97 WeakPolarHBondContact O-CG 3.35Å; E93-L97 PolarHBondContact O-N 2.96Å |
| 94 | K | 75.3 | Confident | 67.2 | Low | 123 Ų | 123 | 122.3 Ų | 122.3 | 54% | 0.535 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -74.8 | -14.7 | -177.4 | -155.5 | 167.7 | -173 | 172.2 | 0 | 112.9 | M90 T91 F92 | M90-K94 HydrophobicContact CE-CB 4.11Å; M90-K94 HydrophobicContact CE-CD 4.02Å; M90-K94 HydrophobicContact CE-CG 3.85Å; M90-K94 HydrophobicContact SD-CD 4.25Å; T91-K94 PolarHBondContact O-N 2.99Å; F92-K94 VanDerWaalsContact C-N 3.32Å; F92-K94 PolarHBondContact O-N 3.04Å |
| 95 | K | 79.3 | Confident | 69.9 | Low | 129 Ų | 129 | 121 Ų | 121 | 56% | 0.561 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -85.7 | -42.7 | 165.5 | -66.8 | -178.8 | 179.7 | 177.6 | 0 | 111.3 | M90 T91 F92 E93 L97 K98 L99 | M90-K95 HydrophobicContact CG-CG 4.45Å; T91-K95 PolarHBondContact O-N 3.44Å; F92-K95 WeakPolarHBondContact O-CB 3.33Å; F92-K95 PolarHBondContact O-N 3.49Å; E93-K95 PolarHBondContact O-N 3.49Å; K95-L97 PolarHBondContact O-N 3.05Å; K95-K98 PolarHBondContact O-N 2.91Å; K95-L99 PolarHBondContact O-N 3.46Å |
| 96 | Q | 79.9 | Confident | 72.8 | Confident | 86 Ų | 86 | 113.9 Ų | 113.9 | 40% | 0.402 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -59.5 | -45.2 | 175.1 | -71.5 | -176.4 | -63.5 | 0 | 0 | 112.2 | F92 E93 K98 L99 L100 | F92-Q96 HydrophobicContact CD1-CG 4.2Å; F92-Q96 VanDerWaalsContact CD1-OE1 3.24Å; F92-Q96 HydrophobicContact CE1-CG 3.99Å; F92-Q96 VanDerWaalsContact CE1-NE2 3.35Å; F92-Q96 VanDerWaalsContact CE1-OE1 3.25Å; F92-Q96 HydrophobicContact CE2-CG 4.49Å; F92-Q96 HydrophobicContact CZ-CG 4.15Å; F92-Q96 PolarHBondContact O-N 3.1Å; E93-Q96 PolarHBondContact O-N 3.4Å; Q96-K98 VanDerWaalsContact C-N 3.28Å; Q96-K98 PolarHBondContact O-N 3.41Å; Q96-L99 WeakPolarHBondContact O-CA 3.35Å; Q96-L99 WeakPolarHBondContact O-CB 3.48Å; Q96-L99 PolarHBondContact O-N 2.85Å; Q96-L100 WeakPolarHBondContact O-CG 3.33Å; Q96-L100 PolarHBondContact O-N 3.44Å |
| 97 | L | 82.6 | Confident | 75.7 | Confident | 113 Ų | 113 | 110.8 Ų | 110.8 | 59% | 0.592 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -54.9 | -41.8 | 175.4 | -80.9 | 164.8 | 0 | 0 | 0 | 112.2 | E93 K95 L99 L100 E101 | E93-L97 WeakPolarHBondContact O-CB 3.25Å; E93-L97 WeakPolarHBondContact O-CG 3.35Å; E93-L97 PolarHBondContact O-N 2.96Å; K95-L97 PolarHBondContact O-N 3.05Å; L97-L99 VanDerWaalsContact C-N 3.31Å; L97-L99 PolarHBondContact O-N 3.19Å; L97-L100 PolarHBondContact O-N 3.02Å; L97-E101 VanDerWaalsContact O-CB 3.28Å; L97-E101 WeakPolarHBondContact O-CB 3.49Å; L97-E101 PolarHBondContact O-N 3.1Å |
| 98 | K | 85.9 | Confident | 78.5 | Confident | 130 Ų | 130 | 112 Ų | 112 | 57% | 0.565 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -72.8 | -19.5 | 176.7 | -74.5 | -168.5 | 172.1 | -166.6 | 0 | 114.3 | K95 Q96 K102 | K95-K98 PolarHBondContact O-N 2.91Å; Q96-K98 VanDerWaalsContact C-N 3.28Å; Q96-K98 PolarHBondContact O-N 3.41Å; K98-K102 WeakPolarHBondContact O-CG 3.44Å |
| 99 | L | 88.7 | Confident | 81 | Confident | 117 Ų | 117 | 109.3 Ų | 109.3 | 61% | 0.613 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -80.6 | -49.2 | 170.8 | -68.7 | 171.3 | 0 | 0 | 0 | 110.1 | K95 Q96 L97 E101 K102 E103 | K95-L99 PolarHBondContact O-N 3.46Å; Q96-L99 WeakPolarHBondContact O-CA 3.35Å; Q96-L99 WeakPolarHBondContact O-CB 3.48Å; Q96-L99 PolarHBondContact O-N 2.85Å; L97-L99 VanDerWaalsContact C-N 3.31Å; L97-L99 PolarHBondContact O-N 3.19Å; L99-E101 VanDerWaalsContact C-N 3.28Å; L99-E101 PolarHBondContact O-N 3.25Å; L99-K102 WeakPolarHBondContact O-CB 3.39Å; L99-K102 PolarHBondContact O-N 2.96Å; L99-K102 VanDerWaalsContact O-N 3.09Å; L99-E103 WeakPolarHBondContact O-CB 3.28Å; L99-E103 PolarHBondContact O-N 3.29Å |
| 100 | L | 88.3 | Confident | 83.5 | Confident | 88 Ų | 88 | 110.6 Ų | 110.6 | 46% | 0.461 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -57.3 | -39.2 | 174.3 | -69.2 | 169.6 | 0 | 0 | 0 | 111.9 | Q96 L97 E103 I104 | Q96-L100 WeakPolarHBondContact O-CG 3.33Å; Q96-L100 PolarHBondContact O-N 3.44Å; L97-L100 PolarHBondContact O-N 3.02Å; L100-E103 PolarHBondContact O-N 3.26Å; L100-I104 WeakPolarHBondContact O-CB 3.08Å; L100-I104 WeakPolarHBondContact O-CD1 3.33Å; L100-I104 WeakPolarHBondContact O-CG1 3.31Å; L100-I104 PolarHBondContact O-N 3.11Å |
| 101 | E | 88.5 | Confident | 85.6 | Confident | 89 Ų | 89 | 113.4 Ų | 113.4 | 42% | 0.416 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.8 | -38.5 | 176.5 | -163.9 | -163.7 | 155.8 | 0 | 0 | 112.3 | L97 L99 R105 | L97-E101 VanDerWaalsContact O-CB 3.28Å; L97-E101 WeakPolarHBondContact O-CB 3.49Å; L97-E101 PolarHBondContact O-N 3.1Å; L99-E101 VanDerWaalsContact C-N 3.28Å; L99-E101 PolarHBondContact O-N 3.25Å; E101-R105 WeakPolarHBondContact O-CB 3.46Å; E101-R105 WeakPolarHBondContact O-CD 3.31Å; E101-R105 WeakPolarHBondContact O-CG 3.26Å; E101-R105 PolarHBondContact O-N 2.92Å; E101-R105 IonicContact OE1-CZ 3.46Å; E101-R105 VanDerWaalsContact OE1-CZ 3.27Å; E101-R105 IonicContact OE1-NE 3.23Å; E101-R105 PolarHBondContact OE1-NE 3.11Å; E101-R105 IonicContact OE1-NH2 3.44Å; E101-R105 PolarHBondContact OE1-NH2 2.7Å |
| 102 | K | 91.8 | Very high | 87.1 | Confident | 152 Ų | 152 | 111.4 Ų | 111.4 | 66% | 0.661 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.6 | -40.1 | 173.2 | -76.8 | -178.6 | 174.8 | -168 | 0 | 111.7 | K98 L99 R105 S106 | K98-K102 WeakPolarHBondContact O-CG 3.44Å; L99-K102 WeakPolarHBondContact O-CB 3.39Å; L99-K102 PolarHBondContact O-N 2.96Å; L99-K102 VanDerWaalsContact O-N 3.09Å; K102-R105 PolarHBondContact O-N 2.86Å; K102-S106 WeakPolarHBondContact O-CB 3.21Å; K102-S106 PolarHBondContact O-N 3.27Å |
| 103 | E | 92.5 | Very high | 88.5 | Confident | 111 Ų | 111 | 106.8 Ų | 106.8 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.4 | -46.4 | 176.6 | -173.5 | 170 | -160.4 | 0 | 0 | 111.2 | L99 L100 R105 S106 L107 | L99-E103 WeakPolarHBondContact O-CB 3.28Å; L99-E103 PolarHBondContact O-N 3.29Å; L100-E103 PolarHBondContact O-N 3.26Å; E103-R105 PolarHBondContact O-N 3.03Å; E103-S106 WeakPolarHBondContact O-CB 3.29Å; E103-S106 PolarHBondContact O-N 3.24Å; E103-L107 HydrophobicContact CG-CD1 4.07Å; E103-L107 WeakPolarHBondContact O-CB 3.39Å; E103-L107 VanDerWaalsContact O-CG 3.31Å; E103-L107 WeakPolarHBondContact O-CG 3.45Å; E103-L107 PolarHBondContact O-N 3.1Å |
| 104 | I | 91.3 | Very high | 89.5 | Confident | 104 Ų | 104 | 106.2 Ų | 106.2 | 53% | 0.533 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 173.4 | -70.7 | 163.3 | 0 | 0 | 0 | 111 | L100 S106 L107 V108 | L100-I104 WeakPolarHBondContact O-CB 3.08Å; L100-I104 WeakPolarHBondContact O-CD1 3.33Å; L100-I104 WeakPolarHBondContact O-CG1 3.31Å; L100-I104 PolarHBondContact O-N 3.11Å; I104-S106 VanDerWaalsContact C-N 3.32Å; I104-S106 PolarHBondContact O-N 3.45Å; I104-L107 PolarHBondContact O-N 3.2Å; I104-V108 HydrophobicContact CG2-CG2 4.39Å; I104-V108 WeakPolarHBondContact O-CB 3.43Å; I104-V108 VanDerWaalsContact O-CG2 3.27Å; I104-V108 WeakPolarHBondContact O-CG2 3.28Å; I104-V108 PolarHBondContact O-N 3.26Å |
| 105 | R | 93.5 | Very high | 90.4 | Very high | 167 Ų | 167 | 103.8 Ų | 103.8 | 63% | 0.63 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.6 | -40.9 | 175.9 | -72.7 | 166.7 | -177.3 | -103.3 | 7.8 | 111.7 | E101 K102 E103 Q109 | E101-R105 WeakPolarHBondContact O-CB 3.46Å; E101-R105 WeakPolarHBondContact O-CD 3.31Å; E101-R105 WeakPolarHBondContact O-CG 3.26Å; E101-R105 PolarHBondContact O-N 2.92Å; E101-R105 IonicContact OE1-CZ 3.46Å; E101-R105 VanDerWaalsContact OE1-CZ 3.27Å; E101-R105 IonicContact OE1-NE 3.23Å; E101-R105 PolarHBondContact OE1-NE 3.11Å; E101-R105 IonicContact OE1-NH2 3.44Å; E101-R105 PolarHBondContact OE1-NH2 2.7Å; K102-R105 PolarHBondContact O-N 2.86Å; E103-R105 PolarHBondContact O-N 3.03Å; R105-Q109 PolarHBondContact O-N 3.38Å |
| 106 | S | 92.9 | Very high | 91.1 | Very high | 55 Ų | 55 | 105.2 Ų | 105.2 | 39% | 0.385 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.8 | -48 | 175.1 | -173.4 | 0 | 0 | 0 | 0 | 112.1 | K102 E103 I104 V108 Q109 Q110 | K102-S106 WeakPolarHBondContact O-CB 3.21Å; K102-S106 PolarHBondContact O-N 3.27Å; E103-S106 WeakPolarHBondContact O-CB 3.29Å; E103-S106 PolarHBondContact O-N 3.24Å; I104-S106 VanDerWaalsContact C-N 3.32Å; I104-S106 PolarHBondContact O-N 3.45Å; S106-V108 PolarHBondContact O-N 2.88Å; S106-Q109 PolarHBondContact O-N 3.33Å; S106-Q110 WeakPolarHBondContact O-CB 3.24Å; S106-Q110 WeakPolarHBondContact O-CG 3.32Å; S106-Q110 PolarHBondContact O-N 3.04Å |
| 107 | L | 94.3 | Very high | 91.9 | Very high | 94 Ų | 94 | 108.6 Ų | 108.6 | 49% | 0.492 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.5 | -36.9 | 178.3 | -70.5 | 169.7 | 0 | 0 | 0 | 112.2 | E103 I104 Q110 R111 | E103-L107 HydrophobicContact CG-CD1 4.07Å; E103-L107 WeakPolarHBondContact O-CB 3.39Å; E103-L107 VanDerWaalsContact O-CG 3.31Å; E103-L107 WeakPolarHBondContact O-CG 3.45Å; E103-L107 PolarHBondContact O-N 3.1Å; I104-L107 PolarHBondContact O-N 3.2Å; L107-Q110 PolarHBondContact O-N 3.25Å; L107-R111 VanDerWaalsContact O-CB 3.28Å; L107-R111 WeakPolarHBondContact O-CB 3.4Å; L107-R111 PolarHBondContact O-N 3.33Å |
| 108 | V | 94.4 | Very high | 92.4 | Very high | 100 Ų | 100 | 107.9 Ų | 107.9 | 61% | 0.606 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.7 | -41.2 | 173.3 | 169 | 0 | 0 | 0 | 0 | 111.2 | I104 S106 G112 | I104-V108 HydrophobicContact CG2-CG2 4.39Å; I104-V108 WeakPolarHBondContact O-CB 3.43Å; I104-V108 VanDerWaalsContact O-CG2 3.27Å; I104-V108 WeakPolarHBondContact O-CG2 3.28Å; I104-V108 PolarHBondContact O-N 3.26Å; S106-V108 PolarHBondContact O-N 2.88Å; V108-G112 PolarHBondContact O-N 3.02Å |
| 109 | Q | 93.6 | Very high | 92.9 | Very high | 122 Ų | 122 | 106.4 Ų | 106.4 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.5 | -48.9 | 173 | -179.5 | -179.1 | -25.5 | 0 | 0 | 111.3 | R105 S106 R111 G112 E113 | R105-Q109 PolarHBondContact O-N 3.38Å; S106-Q109 PolarHBondContact O-N 3.33Å; Q109-R111 VanDerWaalsContact C-N 3.31Å; Q109-R111 PolarHBondContact O-N 3.09Å; Q109-G112 CarbonylContact O-C 3.58Å; Q109-G112 PolarHBondContact O-N 3.05Å; Q109-G112 VanDerWaalsContact O-N 3.17Å; Q109-E113 PolarHBondContact NE2-OE1 3.24Å; Q109-E113 WeakPolarHBondContact O-CG 3.44Å; Q109-E113 PolarHBondContact O-N 3.32Å |
| 110 | Q | 93.6 | Very high | 93.1 | Very high | 95 Ų | 95 | 103.3 Ų | 103.3 | 44% | 0.444 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.9 | -42.2 | 179 | -73.8 | 177.6 | 5.1 | 0 | 0 | 111.6 | S106 L107 E113 Q114 | S106-Q110 WeakPolarHBondContact O-CB 3.24Å; S106-Q110 WeakPolarHBondContact O-CG 3.32Å; S106-Q110 PolarHBondContact O-N 3.04Å; L107-Q110 PolarHBondContact O-N 3.25Å; Q110-E113 WeakPolarHBondContact O-CB 3.49Å; Q110-E113 PolarHBondContact O-N 3.37Å; Q110-Q114 VanDerWaalsContact O-CG 3.31Å; Q110-Q114 WeakPolarHBondContact O-CG 3.34Å; Q110-Q114 PolarHBondContact O-N 3.39Å |
| 111 | R | 91.5 | Very high | 93.4 | Very high | 164 Ų | 164 | 104.7 Ų | 104.7 | 62% | 0.619 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.6 | -46.8 | 173.9 | -174.7 | 170.7 | 179.7 | 168.4 | 2.3 | 111.7 | L107 Q109 E113 Q114 D115 | L107-R111 VanDerWaalsContact O-CB 3.28Å; L107-R111 WeakPolarHBondContact O-CB 3.4Å; L107-R111 PolarHBondContact O-N 3.33Å; Q109-R111 VanDerWaalsContact C-N 3.31Å; Q109-R111 PolarHBondContact O-N 3.09Å; R111-E113 PolarHBondContact O-N 3.29Å; R111-E113 VanDerWaalsContact O-N 3.17Å; R111-Q114 CarbonylContact O-C 3.58Å; R111-Q114 WeakPolarHBondContact O-CA 3.44Å; R111-Q114 WeakPolarHBondContact O-CB 3.49Å; R111-Q114 PolarHBondContact O-N 3.4Å; R111-D115 VanDerWaalsContact O-CG 3.23Å; R111-D115 PolarHBondContact O-N 3.06Å |
| 112 | G | 93.4 | Very high | 93.7 | Very high | 26 Ų | 26 | 105 Ų | 105 | 27% | 0.268 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -19.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V108 Q109 R116 | V108-G112 PolarHBondContact O-N 3.02Å; Q109-G112 CarbonylContact O-C 3.58Å; Q109-G112 PolarHBondContact O-N 3.05Å; Q109-G112 VanDerWaalsContact O-N 3.17Å; G112-R116 PolarHBondContact O-NE 3.49Å; G112-R116 PolarHBondContact O-NH2 3.1Å |
| 113 | E | 93.4 | Very high | 93.9 | Very high | 54 Ų | 54 | 101.3 Ų | 101.3 | 25% | 0.252 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -82.9 | -38.5 | 167.6 | -74.2 | 179.9 | -150.4 | 0 | 0 | 112.7 | Q109 Q110 R111 R116 R117 | Q109-E113 PolarHBondContact NE2-OE1 3.24Å; Q109-E113 WeakPolarHBondContact O-CG 3.44Å; Q109-E113 PolarHBondContact O-N 3.32Å; Q110-E113 WeakPolarHBondContact O-CB 3.49Å; Q110-E113 PolarHBondContact O-N 3.37Å; R111-E113 PolarHBondContact O-N 3.29Å; R111-E113 VanDerWaalsContact O-N 3.17Å; E113-R116 PolarHBondContact O-N 2.96Å; E113-R117 VanDerWaalsContact O-CG 3.26Å; E113-R117 WeakPolarHBondContact O-CG 3.46Å; E113-R117 PolarHBondContact O-N 3.36Å; E113-R117 IonicContact OE2-NH2 3.03Å; E113-R117 PolarHBondContact OE2-NH2 2.88Å; E113-R117 VanDerWaalsContact OE2-NH2 3.11Å |
| 114 | Q | 94.3 | Very high | 93.9 | Very high | 112 Ų | 112 | 100.3 Ų | 100.3 | 52% | 0.523 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 173.3 | -73.2 | 167.9 | -6 | 0 | 0 | 111.3 | Q110 R111 R116 R117 L118 | Q110-Q114 VanDerWaalsContact O-CG 3.31Å; Q110-Q114 WeakPolarHBondContact O-CG 3.34Å; Q110-Q114 PolarHBondContact O-N 3.39Å; R111-Q114 CarbonylContact O-C 3.58Å; R111-Q114 WeakPolarHBondContact O-CA 3.44Å; R111-Q114 WeakPolarHBondContact O-CB 3.49Å; R111-Q114 PolarHBondContact O-N 3.4Å; Q114-R116 VanDerWaalsContact C-N 3.29Å; Q114-R116 PolarHBondContact O-N 3.34Å; Q114-R117 CarbonylContact O-C 3.54Å; Q114-R117 WeakPolarHBondContact O-CA 3.44Å; Q114-R117 WeakPolarHBondContact O-CB 3.38Å; Q114-R117 PolarHBondContact O-N 3.41Å; Q114-L118 WeakPolarHBondContact O-CG 3.41Å; Q114-L118 PolarHBondContact O-N 3.24Å |
| 115 | D | 93.8 | Very high | 94 | Very high | 72 Ų | 72 | 99.9 Ų | 99.9 | 39% | 0.385 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.9 | -39.6 | 178.2 | -62.6 | -28.4 | 0 | 0 | 0 | 111.1 | R111 L118 L119 | R111-D115 VanDerWaalsContact O-CG 3.23Å; R111-D115 PolarHBondContact O-N 3.06Å; D115-L118 PolarHBondContact O-N 3.42Å; D115-L119 WeakPolarHBondContact O-CG 3.42Å; D115-L119 PolarHBondContact O-N 2.97Å |
| 116 | R | 95.4 | Very high | 94.1 | Very high | 159 Ų | 159 | 96.5 Ų | 96.5 | 60% | 0.6 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.2 | -36.9 | 172.6 | -84.1 | 179 | -74.1 | 156.4 | -1.5 | 113.3 | G112 E113 Q114 A120 | G112-R116 PolarHBondContact O-NE 3.49Å; G112-R116 PolarHBondContact O-NH2 3.1Å; E113-R116 PolarHBondContact O-N 2.96Å; Q114-R116 VanDerWaalsContact C-N 3.29Å; Q114-R116 PolarHBondContact O-N 3.34Å; R116-A120 PolarHBondContact O-N 2.96Å; R116-A120 VanDerWaalsContact O-N 3.17Å |
| 117 | R | 95.8 | Very high | 94.3 | Very high | 157 Ų | 157 | 99.2 Ų | 99.2 | 59% | 0.592 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -69.8 | -38.5 | 175.1 | -69 | 169.3 | -156.7 | -169.4 | 9 | 111.3 | E113 Q114 A120 L121 | E113-R117 VanDerWaalsContact O-CG 3.26Å; E113-R117 WeakPolarHBondContact O-CG 3.46Å; E113-R117 PolarHBondContact O-N 3.36Å; E113-R117 IonicContact OE2-NH2 3.03Å; E113-R117 PolarHBondContact OE2-NH2 2.88Å; E113-R117 VanDerWaalsContact OE2-NH2 3.11Å; Q114-R117 CarbonylContact O-C 3.54Å; Q114-R117 WeakPolarHBondContact O-CA 3.44Å; Q114-R117 WeakPolarHBondContact O-CB 3.38Å; Q114-R117 PolarHBondContact O-N 3.41Å; R117-A120 PolarHBondContact O-N 2.9Å; R117-L121 VanDerWaalsContact O-CG 3.3Å; R117-L121 WeakPolarHBondContact O-CG 3.42Å; R117-L121 PolarHBondContact O-N 3.31Å |
| 118 | L | 94.4 | Very high | 94.2 | Very high | 98 Ų | 98 | 97.6 Ų | 97.6 | 51% | 0.513 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.5 | -50.4 | 175.1 | -73.1 | 170 | 0 | 0 | 0 | 111.2 | Q114 D115 A120 L121 E122 | Q114-L118 WeakPolarHBondContact O-CG 3.41Å; Q114-L118 PolarHBondContact O-N 3.24Å; D115-L118 PolarHBondContact O-N 3.42Å; L118-A120 VanDerWaalsContact C-N 3.31Å; L118-A120 PolarHBondContact O-N 3.41Å; L118-L121 PolarHBondContact O-N 3.11Å; L118-L121 VanDerWaalsContact O-N 3.13Å; L118-E122 WeakPolarHBondContact O-CG 3.41Å; L118-E122 PolarHBondContact O-N 2.85Å |
| 119 | L | 94.9 | Very high | 94.2 | Very high | 99 Ų | 99 | 97.5 Ų | 97.5 | 52% | 0.518 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.3 | -40.5 | 176.6 | -72.9 | 168.9 | 0 | 0 | 0 | 112.8 | D115 E122 D123 | D115-L119 WeakPolarHBondContact O-CG 3.42Å; D115-L119 PolarHBondContact O-N 2.97Å; L119-E122 PolarHBondContact O-N 2.95Å; L119-D123 PolarHBondContact O-N 3.49Å |
| 120 | A | 94.3 | Very high | 94.3 | Very high | 51 Ų | 51 | 94.6 Ų | 94.6 | 42% | 0.421 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R116 R117 L118 D123 D124 | R116-A120 PolarHBondContact O-N 2.96Å; R116-A120 VanDerWaalsContact O-N 3.17Å; R117-A120 PolarHBondContact O-N 2.9Å; L118-A120 VanDerWaalsContact C-N 3.31Å; L118-A120 PolarHBondContact O-N 3.41Å; A120-D123 PolarHBondContact O-N 2.9Å; A120-D124 PolarHBondContact O-N 3.15Å |
| 121 | L | 94.3 | Very high | 94.4 | Very high | 117 Ų | 117 | 97.6 Ų | 97.6 | 61% | 0.613 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.8 | -37.1 | 176.4 | -71.6 | 169.6 | 0 | 0 | 0 | 112.4 | R117 L118 L125 | R117-L121 VanDerWaalsContact O-CG 3.3Å; R117-L121 WeakPolarHBondContact O-CG 3.42Å; R117-L121 PolarHBondContact O-N 3.31Å; L118-L121 PolarHBondContact O-N 3.11Å; L118-L121 VanDerWaalsContact O-N 3.13Å; L121-L125 VanDerWaalsContact O-CB 3.31Å; L121-L125 WeakPolarHBondContact O-CB 3.48Å; L121-L125 PolarHBondContact O-N 2.9Å |
| 122 | E | 94.2 | Very high | 94.6 | Very high | 95 Ų | 95 | 95.2 Ų | 95.2 | 44% | 0.444 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 172.9 | -75.1 | -177 | -165.9 | 0 | 0 | 112.1 | L118 L119 L125 K126 | L118-E122 WeakPolarHBondContact O-CG 3.41Å; L118-E122 PolarHBondContact O-N 2.85Å; L119-E122 PolarHBondContact O-N 2.95Å; E122-L125 WeakPolarHBondContact O-CB 3.3Å; E122-L125 PolarHBondContact O-N 3.3Å; E122-K126 WeakPolarHBondContact O-CD 3.39Å; E122-K126 VanDerWaalsContact O-CE 3.29Å; E122-K126 WeakPolarHBondContact O-CE 3.38Å; E122-K126 WeakPolarHBondContact O-CG 3.2Å; E122-K126 PolarHBondContact O-N 3.48Å; E122-K126 IonicContact OE2-NZ 3.72Å |
| 123 | D | 95.3 | Very high | 94.6 | Very high | 76 Ų | 76 | 98.7 Ų | 98.7 | 41% | 0.406 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.3 | -33.9 | 178.5 | -78.9 | -3.9 | 0 | 0 | 0 | 112.3 | L119 A120 K126 K127 | L119-D123 PolarHBondContact O-N 3.49Å; A120-D123 PolarHBondContact O-N 2.9Å; D123-K126 IonicContact OD1-NZ 2.67Å; D123-K126 PolarHBondContact OD1-NZ 3.02Å; D123-K127 WeakPolarHBondContact O-CD 3.42Å; D123-K127 VanDerWaalsContact O-CE 3.25Å; D123-K127 WeakPolarHBondContact O-CE 3.44Å; D123-K127 WeakPolarHBondContact O-CG 3.38Å; D123-K127 PolarHBondContact O-N 2.85Å |
| 124 | D | 94.3 | Very high | 94.7 | Very high | 89 Ų | 89 | 98 Ų | 98 | 48% | 0.476 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.3 | -33.6 | 170.4 | -75.9 | -20.4 | 0 | 0 | 0 | 112.4 | A120 K127 S128 | A120-D124 PolarHBondContact O-N 3.15Å; D124-K127 PolarHBondContact O-N 3.12Å; D124-K127 WeakPolarHBondContact OD1-CD 3.37Å; D124-K127 IonicContact OD1-NZ 2.63Å; D124-K127 PolarHBondContact OD1-NZ 3.48Å; D124-S128 PolarHBondContact O-N 3.38Å |
| 125 | L | 93.4 | Very high | 94.7 | Very high | 96 Ų | 96 | 95 Ų | 95 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.2 | -53.1 | 169.1 | -176.9 | 69.1 | 0 | 0 | 0 | 110.4 | L121 E122 K127 S128 E129 | L121-L125 VanDerWaalsContact O-CB 3.31Å; L121-L125 WeakPolarHBondContact O-CB 3.48Å; L121-L125 PolarHBondContact O-N 2.9Å; E122-L125 WeakPolarHBondContact O-CB 3.3Å; E122-L125 PolarHBondContact O-N 3.3Å; L125-K127 VanDerWaalsContact C-N 3.28Å; L125-K127 PolarHBondContact O-N 3Å; L125-S128 CarbonylContact O-C 3.58Å; L125-S128 WeakPolarHBondContact O-CA 3.35Å; L125-S128 WeakPolarHBondContact O-CB 3.21Å; L125-S128 PolarHBondContact O-N 3.42Å; L125-S128 PolarHBondContact O-OG 3.11Å; L125-E129 HydrophobicContact CG-CG 4.46Å; L125-E129 WeakPolarHBondContact O-CG 3.47Å; L125-E129 PolarHBondContact O-N 3.24Å |
| 126 | K | 95.3 | Very high | 94.8 | Very high | 95 Ų | 95 | 95 Ų | 95 | 41% | 0.413 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -55.4 | -40.8 | 176.9 | -67.5 | 159.5 | -147.6 | 159.2 | 0 | 111.9 | E122 D123 E129 A130 | E122-K126 WeakPolarHBondContact O-CD 3.39Å; E122-K126 VanDerWaalsContact O-CE 3.29Å; E122-K126 WeakPolarHBondContact O-CE 3.38Å; E122-K126 WeakPolarHBondContact O-CG 3.2Å; E122-K126 PolarHBondContact O-N 3.48Å; E122-K126 IonicContact OE2-NZ 3.72Å; D123-K126 IonicContact OD1-NZ 2.67Å; D123-K126 PolarHBondContact OD1-NZ 3.02Å; K126-E129 PolarHBondContact O-N 2.9Å; K126-A130 WeakPolarHBondContact O-CB 3.47Å; K126-A130 PolarHBondContact O-N 3.3Å |
| 127 | K | 95.8 | Very high | 94.8 | Very high | 112 Ų | 112 | 96.5 Ų | 96.5 | 49% | 0.487 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 173.7 | -70.3 | 163.3 | -143.2 | 159.4 | 0 | 112.1 | D123 D124 L125 K131 | D123-K127 WeakPolarHBondContact O-CD 3.42Å; D123-K127 VanDerWaalsContact O-CE 3.25Å; D123-K127 WeakPolarHBondContact O-CE 3.44Å; D123-K127 WeakPolarHBondContact O-CG 3.38Å; D123-K127 PolarHBondContact O-N 2.85Å; D124-K127 PolarHBondContact O-N 3.12Å; D124-K127 WeakPolarHBondContact OD1-CD 3.37Å; D124-K127 IonicContact OD1-NZ 2.63Å; D124-K127 PolarHBondContact OD1-NZ 3.48Å; L125-K127 VanDerWaalsContact C-N 3.28Å; L125-K127 PolarHBondContact O-N 3Å; K127-K131 WeakPolarHBondContact O-CG 3.34Å; K127-K131 PolarHBondContact O-N 2.99Å; K127-K131 VanDerWaalsContact O-N 3.13Å |
| 128 | S | 93.9 | Very high | 94.7 | Very high | 60 Ų | 60 | 95.1 Ų | 95.1 | 42% | 0.42 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.8 | -40.4 | 177.3 | 80 | 0 | 0 | 0 | 0 | 112.4 | D124 L125 K131 L132 | D124-S128 PolarHBondContact O-N 3.38Å; L125-S128 CarbonylContact O-C 3.58Å; L125-S128 WeakPolarHBondContact O-CA 3.35Å; L125-S128 WeakPolarHBondContact O-CB 3.21Å; L125-S128 PolarHBondContact O-N 3.42Å; L125-S128 PolarHBondContact O-OG 3.11Å; S128-K131 PolarHBondContact O-N 3.03Å; S128-L132 WeakPolarHBondContact O-CB 3.49Å; S128-L132 PolarHBondContact O-N 3.39Å |
| 129 | E | 93.9 | Very high | 94.8 | Very high | 99 Ų | 99 | 97.9 Ų | 97.9 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 174.9 | -69.2 | 178.1 | 153 | 0 | 0 | 111.3 | L125 K126 K131 L132 L133 | L125-E129 HydrophobicContact CG-CG 4.46Å; L125-E129 WeakPolarHBondContact O-CG 3.47Å; L125-E129 PolarHBondContact O-N 3.24Å; K126-E129 PolarHBondContact O-N 2.9Å; E129-K131 PolarHBondContact O-N 2.69Å; E129-L132 PolarHBondContact O-N 3.04Å; E129-L133 WeakPolarHBondContact O-CB 3.44Å; E129-L133 WeakPolarHBondContact O-CG 3.48Å; E129-L133 PolarHBondContact O-N 2.96Å |
| 130 | A | 94.8 | Very high | 94.8 | Very high | 60 Ų | 60 | 97.6 Ų | 97.6 | 50% | 0.496 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K126 L133 A134 | K126-A130 WeakPolarHBondContact O-CB 3.47Å; K126-A130 PolarHBondContact O-N 3.3Å; A130-L133 PolarHBondContact O-N 3Å; A130-A134 PolarHBondContact O-N 3.21Å |
| 131 | K | 96.3 | Very high | 94.8 | Very high | 159 Ų | 159 | 97 Ų | 97 | 69% | 0.691 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.5 | -42 | 173.5 | -73.9 | 173.8 | 179.9 | -178.7 | 0 | 112.1 | K127 S128 E129 A134 A135 | K127-K131 WeakPolarHBondContact O-CG 3.34Å; K127-K131 PolarHBondContact O-N 2.99Å; K127-K131 VanDerWaalsContact O-N 3.13Å; S128-K131 PolarHBondContact O-N 3.03Å; E129-K131 PolarHBondContact O-N 2.69Å; K131-A134 WeakPolarHBondContact O-CB 3.33Å; K131-A134 PolarHBondContact O-N 3.36Å; K131-A135 PolarHBondContact O-N 2.93Å |
| 132 | L | 95 | Very high | 94.8 | Very high | 113 Ų | 113 | 97 Ų | 97 | 59% | 0.592 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63 | -43.4 | 176.5 | -178.9 | 61.3 | 0 | 0 | 0 | 111.4 | S128 E129 A134 A135 V136 | S128-L132 WeakPolarHBondContact O-CB 3.49Å; S128-L132 PolarHBondContact O-N 3.39Å; E129-L132 PolarHBondContact O-N 3.04Å; L132-A134 VanDerWaalsContact C-N 3.33Å; L132-A134 PolarHBondContact O-N 3.18Å; L132-A135 PolarHBondContact O-N 2.89Å; L132-V136 HydrophobicContact CD1-CG2 4.41Å; L132-V136 WeakPolarHBondContact O-CB 3.11Å; L132-V136 VanDerWaalsContact O-CG2 3.28Å; L132-V136 WeakPolarHBondContact O-CG2 3.42Å; L132-V136 PolarHBondContact O-N 3.23Å |
| 133 | L | 95 | Very high | 94.8 | Very high | 99 Ų | 99 | 95.6 Ų | 95.6 | 52% | 0.518 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -33.9 | 175.8 | -72.6 | 170.8 | 0 | 0 | 0 | 112.7 | E129 A130 R137 | E129-L133 WeakPolarHBondContact O-CB 3.44Å; E129-L133 WeakPolarHBondContact O-CG 3.48Å; E129-L133 PolarHBondContact O-N 2.96Å; A130-L133 PolarHBondContact O-N 3Å; L133-R137 WeakPolarHBondContact O-CD 3.46Å; L133-R137 VanDerWaalsContact O-CG 3.24Å; L133-R137 WeakPolarHBondContact O-CG 3.35Å; L133-R137 PolarHBondContact O-N 3.32Å |
| 134 | A | 95 | Very high | 94.8 | Very high | 40 Ų | 40 | 94.6 Ų | 94.6 | 33% | 0.331 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65 | -52.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | A130 K131 L132 V136 R137 E138 | A130-A134 PolarHBondContact O-N 3.21Å; K131-A134 WeakPolarHBondContact O-CB 3.33Å; K131-A134 PolarHBondContact O-N 3.36Å; L132-A134 VanDerWaalsContact C-N 3.33Å; L132-A134 PolarHBondContact O-N 3.18Å; A134-V136 VanDerWaalsContact C-N 3.28Å; A134-V136 PolarHBondContact O-N 3.02Å; A134-R137 WeakPolarHBondContact O-CB 3.47Å; A134-R137 PolarHBondContact O-N 3.47Å; A134-E138 PolarHBondContact O-N 3.14Å |
| 135 | A | 94.3 | Very high | 94.8 | Very high | 50 Ų | 50 | 93.2 Ų | 93.2 | 41% | 0.413 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60 | -34 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K131 L132 K139 | K131-A135 PolarHBondContact O-N 2.93Å; L132-A135 PolarHBondContact O-N 2.89Å; A135-K139 VanDerWaalsContact O-CB 3.25Å; A135-K139 WeakPolarHBondContact O-CB 3.44Å; A135-K139 PolarHBondContact O-N 2.94Å |
| 136 | V | 94.8 | Very high | 94.9 | Very high | 72 Ų | 72 | 92.3 Ų | 92.3 | 44% | 0.436 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.9 | -40.7 | 173.2 | 166.8 | 0 | 0 | 0 | 0 | 111.8 | L132 A134 T140 | L132-V136 HydrophobicContact CD1-CG2 4.41Å; L132-V136 WeakPolarHBondContact O-CB 3.11Å; L132-V136 VanDerWaalsContact O-CG2 3.28Å; L132-V136 WeakPolarHBondContact O-CG2 3.42Å; L132-V136 PolarHBondContact O-N 3.23Å; A134-V136 VanDerWaalsContact C-N 3.28Å; A134-V136 PolarHBondContact O-N 3.02Å; V136-T140 WeakPolarHBondContact O-CB 3.44Å; V136-T140 PolarHBondContact O-N 3.2Å; V136-T140 PolarHBondContact O-OG1 3.42Å |
| 137 | R | 95.1 | Very high | 94.8 | Very high | 189 Ų | 189 | 92.7 Ų | 92.7 | 71% | 0.713 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.8 | -43 | 175.4 | -71.1 | 165.1 | -178.1 | 175.6 | 2.2 | 111.4 | L133 A134 T140 G141 | L133-R137 WeakPolarHBondContact O-CD 3.46Å; L133-R137 VanDerWaalsContact O-CG 3.24Å; L133-R137 WeakPolarHBondContact O-CG 3.35Å; L133-R137 PolarHBondContact O-N 3.32Å; A134-R137 WeakPolarHBondContact O-CB 3.47Å; A134-R137 PolarHBondContact O-N 3.47Å; R137-T140 PolarHBondContact O-N 3.3Å; R137-G141 PolarHBondContact O-N 3.43Å |
| 138 | E | 95.1 | Very high | 94.7 | Very high | 128 Ų | 128 | 91.2 Ų | 91.2 | 60% | 0.598 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.2 | -48.1 | 175.1 | -71.3 | 169.1 | -174.8 | 0 | 0 | 111.5 | A134 T140 G141 L142 | A134-E138 PolarHBondContact O-N 3.14Å; E138-T140 VanDerWaalsContact C-N 3.27Å; E138-T140 PolarHBondContact O-N 3.34Å; E138-G141 PolarHBondContact O-N 2.79Å; E138-G141 VanDerWaalsContact O-N 3.1Å; E138-L142 WeakPolarHBondContact O-CG 3.47Å; E138-L142 PolarHBondContact O-N 2.94Å |
| 139 | K | 95.7 | Very high | 94.8 | Very high | 157 Ų | 157 | 93.4 Ų | 93.4 | 68% | 0.683 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -56.5 | -39.8 | 173.8 | -179.5 | 178.5 | 178 | 179.6 | 0 | 112.3 | A135 S143 | A135-K139 VanDerWaalsContact O-CB 3.25Å; A135-K139 WeakPolarHBondContact O-CB 3.44Å; A135-K139 PolarHBondContact O-N 2.94Å; K139-S143 VanDerWaalsContact O-CB 3.28Å; K139-S143 WeakPolarHBondContact O-CB 3.34Å; K139-S143 PolarHBondContact O-N 2.74Å |
| 140 | T | 95.4 | Very high | 94.7 | Very high | 92 Ų | 92 | 94.3 Ų | 94.3 | 56% | 0.564 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.6 | -41.6 | 176.7 | -56 | 0 | 0 | 0 | 0 | 111.4 | V136 R137 E138 S143 A144 | V136-T140 WeakPolarHBondContact O-CB 3.44Å; V136-T140 PolarHBondContact O-N 3.2Å; V136-T140 PolarHBondContact O-OG1 3.42Å; R137-T140 PolarHBondContact O-N 3.3Å; E138-T140 VanDerWaalsContact C-N 3.27Å; E138-T140 PolarHBondContact O-N 3.34Å; T140-S143 PolarHBondContact O-N 3.38Å; T140-A144 PolarHBondContact O-N 3.02Å |
| 141 | G | 93.9 | Very high | 94.7 | Very high | 38 Ų | 38 | 99.4 Ų | 99.4 | 39% | 0.392 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.1 | -50 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R137 E138 S143 A144 S145 | R137-G141 PolarHBondContact O-N 3.43Å; E138-G141 PolarHBondContact O-N 2.79Å; E138-G141 VanDerWaalsContact O-N 3.1Å; G141-S143 VanDerWaalsContact C-N 3.33Å; G141-S143 PolarHBondContact O-N 2.92Å; G141-A144 WeakPolarHBondContact O-CB 3.43Å; G141-A144 PolarHBondContact O-N 3.42Å; G141-S145 PolarHBondContact O-N 3.11Å; G141-S145 PolarHBondContact O-OG 2.97Å |
| 142 | L | 94.9 | Very high | 94.6 | Very high | 118 Ų | 118 | 97 Ų | 97 | 62% | 0.618 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.2 | -41.2 | 175.9 | -68.9 | 172.6 | 0 | 0 | 0 | 111.9 | E138 A144 S145 V146 | E138-L142 WeakPolarHBondContact O-CG 3.47Å; E138-L142 PolarHBondContact O-N 2.94Å; L142-A144 VanDerWaalsContact C-N 3.33Å; L142-A144 PolarHBondContact O-N 3.41Å; L142-S145 WeakPolarHBondContact O-CB 3.41Å; L142-S145 PolarHBondContact O-N 3.22Å; L142-V146 WeakPolarHBondContact O-CG2 3.44Å; L142-V146 PolarHBondContact O-N 3.38Å |
| 143 | S | 94.4 | Very high | 94.5 | Very high | 65 Ų | 65 | 99.4 Ų | 99.4 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.3 | -39.3 | 176.2 | -173.2 | 0 | 0 | 0 | 0 | 112.2 | K139 T140 G141 V146 I147 | K139-S143 VanDerWaalsContact O-CB 3.28Å; K139-S143 WeakPolarHBondContact O-CB 3.34Å; K139-S143 PolarHBondContact O-N 2.74Å; T140-S143 PolarHBondContact O-N 3.38Å; G141-S143 VanDerWaalsContact C-N 3.33Å; G141-S143 PolarHBondContact O-N 2.92Å; S143-V146 PolarHBondContact O-N 3.21Å; S143-I147 WeakPolarHBondContact O-CG1 3.47Å; S143-I147 PolarHBondContact O-N 3.05Å |
| 144 | A | 94.4 | Very high | 94.4 | Very high | 56 Ų | 56 | 97 Ų | 97 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | T140 G141 L142 I147 T148 | T140-A144 PolarHBondContact O-N 3.02Å; G141-A144 WeakPolarHBondContact O-CB 3.43Å; G141-A144 PolarHBondContact O-N 3.42Å; L142-A144 VanDerWaalsContact C-N 3.33Å; L142-A144 PolarHBondContact O-N 3.41Å; A144-I147 PolarHBondContact O-N 3.35Å; A144-T148 PolarHBondContact O-N 3.39Å; A144-T148 VanDerWaalsContact O-N 3.13Å |
| 145 | S | 94.9 | Very high | 94.3 | Very high | 60 Ų | 60 | 99 Ų | 99 | 42% | 0.42 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 174.5 | -59 | 0 | 0 | 0 | 0 | 113 | G141 L142 T148 L149 | G141-S145 PolarHBondContact O-N 3.11Å; G141-S145 PolarHBondContact O-OG 2.97Å; L142-S145 WeakPolarHBondContact O-CB 3.41Å; L142-S145 PolarHBondContact O-N 3.22Å; S145-T148 PolarHBondContact O-N 3.46Å; S145-T148 PolarHBondContact O-OG1 2.94Å; S145-L149 VanDerWaalsContact O-CG 3.3Å; S145-L149 WeakPolarHBondContact O-CG 3.42Å; S145-L149 PolarHBondContact O-N 2.95Å |
| 146 | V | 94.4 | Very high | 94.3 | Very high | 77 Ų | 77 | 102.4 Ų | 102.4 | 47% | 0.467 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.9 | -47.1 | 174.7 | 169.8 | 0 | 0 | 0 | 0 | 110.5 | L142 S143 T148 L149 E150 | L142-V146 WeakPolarHBondContact O-CG2 3.44Å; L142-V146 PolarHBondContact O-N 3.38Å; S143-V146 PolarHBondContact O-N 3.21Å; V146-T148 VanDerWaalsContact C-N 3.31Å; V146-T148 PolarHBondContact O-N 3.45Å; V146-L149 PolarHBondContact O-N 3.34Å; V146-E150 HydrophobicContact CG1-CG 4.26Å; V146-E150 WeakPolarHBondContact O-CG 3.42Å; V146-E150 PolarHBondContact O-N 3.06Å |
| 147 | I | 94.8 | Very high | 94.3 | Very high | 103 Ų | 103 | 105.2 Ų | 105.2 | 53% | 0.528 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.7 | -38.1 | 179.5 | -67.1 | 164.2 | 0 | 0 | 0 | 111.8 | S143 A144 R151 | S143-I147 WeakPolarHBondContact O-CG1 3.47Å; S143-I147 PolarHBondContact O-N 3.05Å; A144-I147 PolarHBondContact O-N 3.35Å; I147-R151 PolarHBondContact O-N 3.4Å; I147-R151 VanDerWaalsContact O-N 3.1Å |
| 148 | T | 93.7 | Very high | 94.3 | Very high | 81 Ų | 81 | 103.7 Ų | 103.7 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.8 | -38.2 | 176.4 | 57 | 0 | 0 | 0 | 0 | 112.6 | A144 S145 V146 R151 Q152 | A144-T148 PolarHBondContact O-N 3.39Å; A144-T148 VanDerWaalsContact O-N 3.13Å; S145-T148 PolarHBondContact O-N 3.46Å; S145-T148 PolarHBondContact O-OG1 2.94Å; V146-T148 VanDerWaalsContact C-N 3.31Å; V146-T148 PolarHBondContact O-N 3.45Å; T148-R151 PolarHBondContact O-N 3.1Å; T148-Q152 WeakPolarHBondContact O-CG 3.36Å; T148-Q152 PolarHBondContact O-N 3.26Å |
| 149 | L | 94.1 | Very high | 94.1 | Very high | 106 Ų | 106 | 101.5 Ų | 101.5 | 56% | 0.555 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.3 | -39.5 | 175.2 | -69.9 | 168.9 | 0 | 0 | 0 | 112.3 | S145 V146 R151 Q152 R153 | S145-L149 VanDerWaalsContact O-CG 3.3Å; S145-L149 WeakPolarHBondContact O-CG 3.42Å; S145-L149 PolarHBondContact O-N 2.95Å; V146-L149 PolarHBondContact O-N 3.34Å; L149-R151 VanDerWaalsContact C-N 3.33Å; L149-R151 PolarHBondContact O-N 3.03Å; L149-Q152 PolarHBondContact O-N 3.36Å; L149-R153 WeakPolarHBondContact O-CB 3.49Å; L149-R153 PolarHBondContact O-N 3.41Å |
| 150 | E | 93.6 | Very high | 93.9 | Very high | 118 Ų | 118 | 98.7 Ų | 98.7 | 55% | 0.551 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.4 | -40.8 | 173.8 | -74 | -174.5 | 145.1 | 0 | 0 | 111.8 | V146 R153 A154 | V146-E150 HydrophobicContact CG1-CG 4.26Å; V146-E150 WeakPolarHBondContact O-CG 3.42Å; V146-E150 PolarHBondContact O-N 3.06Å; E150-R153 PolarHBondContact O-N 3.03Å; E150-A154 WeakPolarHBondContact O-CB 3.46Å; E150-A154 PolarHBondContact O-N 2.92Å |
| 151 | R | 94.8 | Very high | 93.7 | Very high | 167 Ų | 167 | 98.2 Ų | 98.2 | 63% | 0.63 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.5 | -50.3 | 173.3 | -179.5 | 178.5 | 173.1 | 134.1 | 10.3 | 111.8 | I147 T148 L149 R153 A154 E155 | I147-R151 PolarHBondContact O-N 3.4Å; I147-R151 VanDerWaalsContact O-N 3.1Å; T148-R151 PolarHBondContact O-N 3.1Å; L149-R151 VanDerWaalsContact C-N 3.33Å; L149-R151 PolarHBondContact O-N 3.03Å; R151-R153 VanDerWaalsContact C-N 3.29Å; R151-R153 PolarHBondContact O-N 3.02Å; R151-A154 WeakPolarHBondContact O-CB 3.22Å; R151-A154 PolarHBondContact O-N 2.98Å; R151-E155 IonicContact CZ-OE1 2.65Å; R151-E155 IonicContact NE-OE1 3.01Å; R151-E155 PolarHBondContact NE-OE1 3.05Å; R151-E155 IonicContact NE-OE2 3.96Å; R151-E155 IonicContact NH2-OE1 2.71Å; R151-E155 PolarHBondContact NH2-OE1 3.27Å; R151-E155 PolarHBondContact O-N 3.01Å |
| 152 | Q | 93.9 | Very high | 93.3 | Very high | 108 Ų | 108 | 102.7 Ų | 102.7 | 51% | 0.505 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.2 | -42.1 | 177.6 | -73.9 | 175.3 | -12.2 | 0 | 0 | 111.5 | T148 L149 A154 E155 L156 | T148-Q152 WeakPolarHBondContact O-CG 3.36Å; T148-Q152 PolarHBondContact O-N 3.26Å; L149-Q152 PolarHBondContact O-N 3.36Å; Q152-A154 VanDerWaalsContact C-N 3.33Å; Q152-A154 PolarHBondContact O-N 3.38Å; Q152-E155 PolarHBondContact O-N 2.97Å; Q152-L156 WeakPolarHBondContact O-CB 3.26Å; Q152-L156 WeakPolarHBondContact O-CG 3.41Å; Q152-L156 PolarHBondContact O-N 2.97Å |
| 153 | R | 92.3 | Very high | 92.9 | Very high | 164 Ų | 164 | 101.6 Ų | 101.6 | 62% | 0.619 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.6 | -37.5 | 174.7 | -172.4 | -177 | -176.5 | -154.1 | 4.8 | 112.5 | L149 E150 R151 K157 | L149-R153 WeakPolarHBondContact O-CB 3.49Å; L149-R153 PolarHBondContact O-N 3.41Å; E150-R153 PolarHBondContact O-N 3.03Å; R151-R153 VanDerWaalsContact C-N 3.29Å; R151-R153 PolarHBondContact O-N 3.02Å; R153-K157 WeakPolarHBondContact O-CG 3.29Å; R153-K157 PolarHBondContact O-N 3.47Å; R153-K157 VanDerWaalsContact O-N 3.09Å |
| 154 | A | 92.9 | Very high | 92.4 | Very high | 48 Ų | 48 | 103.8 Ų | 103.8 | 40% | 0.397 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.5 | -36.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E150 R151 Q152 K158 | E150-A154 WeakPolarHBondContact O-CB 3.46Å; E150-A154 PolarHBondContact O-N 2.92Å; R151-A154 WeakPolarHBondContact O-CB 3.22Å; R151-A154 PolarHBondContact O-N 2.98Å; Q152-A154 VanDerWaalsContact C-N 3.33Å; Q152-A154 PolarHBondContact O-N 3.38Å; A154-K158 WeakPolarHBondContact O-CG 3.49Å; A154-K158 PolarHBondContact O-N 3Å |
| 155 | E | 93.6 | Very high | 91.9 | Very high | 81 Ų | 81 | 105.9 Ų | 105.9 | 38% | 0.379 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.1 | -45.5 | 175.1 | -71.9 | 170.1 | 168.5 | 0 | 0 | 111.1 | R151 Q152 K157 K158 V159 | R151-E155 IonicContact CZ-OE1 2.65Å; R151-E155 IonicContact NE-OE1 3.01Å; R151-E155 PolarHBondContact NE-OE1 3.05Å; R151-E155 IonicContact NE-OE2 3.96Å; R151-E155 IonicContact NH2-OE1 2.71Å; R151-E155 PolarHBondContact NH2-OE1 3.27Å; R151-E155 PolarHBondContact O-N 3.01Å; Q152-E155 PolarHBondContact O-N 2.97Å; E155-K157 VanDerWaalsContact C-N 3.33Å; E155-K157 PolarHBondContact O-N 3.19Å; E155-K158 WeakPolarHBondContact O-CB 3.36Å; E155-K158 PolarHBondContact O-N 3.24Å; E155-K158 VanDerWaalsContact O-N 3.1Å; E155-V159 PolarHBondContact O-N 2.92Å |
| 156 | L | 93.4 | Very high | 91.3 | Very high | 123 Ų | 123 | 109.4 Ų | 109.4 | 64% | 0.644 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.2 | -39.4 | 173.4 | -73.6 | 171 | 0 | 0 | 0 | 112.8 | Q152 K158 V159 N160 | Q152-L156 WeakPolarHBondContact O-CB 3.26Å; Q152-L156 WeakPolarHBondContact O-CG 3.41Å; Q152-L156 PolarHBondContact O-N 2.97Å; L156-K158 PolarHBondContact O-N 3.01Å; L156-V159 PolarHBondContact O-N 3.25Å; L156-N160 WeakPolarHBondContact O-CB 3.45Å; L156-N160 PolarHBondContact O-N 2.93Å |
| 157 | K | 94.7 | Very high | 90.4 | Very high | 131 Ų | 131 | 111 Ų | 111 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60 | -42.4 | 173.1 | -82.8 | -177.5 | 174.3 | -169.4 | 0 | 112.5 | R153 E155 N160 E161 | R153-K157 WeakPolarHBondContact O-CG 3.29Å; R153-K157 PolarHBondContact O-N 3.47Å; R153-K157 VanDerWaalsContact O-N 3.09Å; E155-K157 VanDerWaalsContact C-N 3.33Å; E155-K157 PolarHBondContact O-N 3.19Å; K157-N160 PolarHBondContact O-N 3.44Å; K157-E161 PolarHBondContact O-N 2.99Å |
| 158 | K | 94.8 | Very high | 89.1 | Confident | 157 Ų | 157 | 110 Ų | 110 | 68% | 0.683 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.9 | -41.4 | 177.1 | -70.4 | 173.5 | -179.6 | -179.9 | 0 | 111.8 | A154 E155 L156 F162 | A154-K158 WeakPolarHBondContact O-CG 3.49Å; A154-K158 PolarHBondContact O-N 3Å; E155-K158 WeakPolarHBondContact O-CB 3.36Å; E155-K158 PolarHBondContact O-N 3.24Å; E155-K158 VanDerWaalsContact O-N 3.1Å; L156-K158 PolarHBondContact O-N 3.01Å; K158-F162 WeakPolarHBondContact O-CB 3.43Å; K158-F162 PolarHBondContact O-N 3.06Å |
| 159 | V | 91.2 | Very high | 87.7 | Confident | 81 Ų | 81 | 107.6 Ų | 107.6 | 49% | 0.491 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 175.5 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | E155 L156 F162 L163 | E155-V159 PolarHBondContact O-N 2.92Å; L156-V159 PolarHBondContact O-N 3.25Å; V159-F162 PolarHBondContact O-N 3.1Å; V159-L163 HydrophobicContact CG1-CD1 4.04Å; V159-L163 HydrophobicContact CG1-CG 4.42Å; V159-L163 WeakPolarHBondContact O-CG 3.44Å; V159-L163 PolarHBondContact O-N 3.37Å |
| 160 | N | 91 | Very high | 86.1 | Confident | 98 Ų | 98 | 106.7 Ų | 106.7 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.9 | -48.2 | 178.7 | -167.4 | -77.6 | 0 | 0 | 0 | 111.9 | L156 K157 F162 L163 K164 | L156-N160 WeakPolarHBondContact O-CB 3.45Å; L156-N160 PolarHBondContact O-N 2.93Å; K157-N160 PolarHBondContact O-N 3.44Å; N160-F162 VanDerWaalsContact C-N 3.31Å; N160-F162 PolarHBondContact O-N 3.44Å; N160-L163 PolarHBondContact O-N 3.17Å; N160-K164 VanDerWaalsContact O-CB 3.24Å; N160-K164 WeakPolarHBondContact O-CB 3.29Å; N160-K164 PolarHBondContact O-N 2.89Å |
| 161 | E | 91.3 | Very high | 84.8 | Confident | 82 Ų | 82 | 106.2 Ų | 106.2 | 38% | 0.383 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.4 | -31.9 | 175.1 | -71.5 | -63.3 | 147.2 | 0 | 0 | 112.3 | K157 K164 N165 | K157-E161 PolarHBondContact O-N 2.99Å; E161-K164 IonicContact OE1-NZ 2.71Å; E161-K164 PolarHBondContact OE1-NZ 3.23Å; E161-K164 IonicContact OE2-NZ 3.79Å; E161-K164 PolarHBondContact OE2-NZ 3.44Å; E161-N165 VanDerWaalsContact O-CB 3.23Å; E161-N165 WeakPolarHBondContact O-CB 3.4Å; E161-N165 VanDerWaalsContact O-CG 3.23Å; E161-N165 PolarHBondContact O-N 2.91Å; E161-N165 PolarHBondContact O-ND2 3.18Å |
| 162 | F | 85.9 | Confident | 83.8 | Confident | 132 Ų | 132 | 101.1 Ų | 101.1 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.8 | -45.5 | 171.5 | 177.3 | -98.7 | 0 | 0 | 0 | 112.3 | K158 V159 N160 N165 K166 | K158-F162 WeakPolarHBondContact O-CB 3.43Å; K158-F162 PolarHBondContact O-N 3.06Å; V159-F162 PolarHBondContact O-N 3.1Å; N160-F162 VanDerWaalsContact C-N 3.31Å; N160-F162 PolarHBondContact O-N 3.44Å; F162-N165 PolarHBondContact O-N 2.88Å; F162-K166 HydrophobicContact CE1-CD 4.25Å; F162-K166 HydrophobicContact CZ-CD 4.47Å; F162-K166 WeakPolarHBondContact O-CB 3.44Å; F162-K166 PolarHBondContact O-N 3.39Å |
| 163 | L | 85.9 | Confident | 83.2 | Confident | 96 Ų | 96 | 102.2 Ų | 102.2 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 176.4 | -73.2 | 171.7 | 0 | 0 | 0 | 111.3 | V159 N160 K166 V167 | V159-L163 HydrophobicContact CG1-CD1 4.04Å; V159-L163 HydrophobicContact CG1-CG 4.42Å; V159-L163 WeakPolarHBondContact O-CG 3.44Å; V159-L163 PolarHBondContact O-N 3.37Å; N160-L163 PolarHBondContact O-N 3.17Å; L163-K166 CarbonylContact O-C 3.6Å; L163-K166 PolarHBondContact O-N 3.2Å; L163-K166 VanDerWaalsContact O-N 3.08Å; L163-V167 WeakPolarHBondContact O-CG2 3.32Å; L163-V167 PolarHBondContact O-N 3.11Å |
| 164 | K | 85.4 | Confident | 82.7 | Confident | 110 Ų | 110 | 100.3 Ų | 100.3 | 48% | 0.478 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.3 | -49.5 | 174.5 | -178.7 | 176.6 | 162.4 | -144.2 | 0 | 111.2 | N160 E161 K166 V167 S168 | N160-K164 VanDerWaalsContact O-CB 3.24Å; N160-K164 WeakPolarHBondContact O-CB 3.29Å; N160-K164 PolarHBondContact O-N 2.89Å; E161-K164 IonicContact OE1-NZ 2.71Å; E161-K164 PolarHBondContact OE1-NZ 3.23Å; E161-K164 IonicContact OE2-NZ 3.79Å; E161-K164 PolarHBondContact OE2-NZ 3.44Å; K164-K166 VanDerWaalsContact C-N 3.26Å; K164-K166 PolarHBondContact O-N 3.47Å; K164-V167 PolarHBondContact O-N 3.32Å; K164-S168 WeakPolarHBondContact O-CB 3.43Å; K164-S168 PolarHBondContact O-N 3.37Å; K164-S168 PolarHBondContact O-OG 3.33Å; K164-S168 VanDerWaalsContact O-OG 3.04Å |
| 165 | N | 83.6 | Confident | 82.4 | Confident | 100 Ų | 100 | 106.8 Ų | 106.8 | 54% | 0.535 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.8 | -24.9 | 174.8 | -75.9 | -47.6 | 0 | 0 | 0 | 113.8 | E161 F162 A169 | E161-N165 VanDerWaalsContact O-CB 3.23Å; E161-N165 WeakPolarHBondContact O-CB 3.4Å; E161-N165 VanDerWaalsContact O-CG 3.23Å; E161-N165 PolarHBondContact O-N 2.91Å; E161-N165 PolarHBondContact O-ND2 3.18Å; F162-N165 PolarHBondContact O-N 2.88Å; N165-A169 WeakPolarHBondContact O-CA 3.49Å; N165-A169 VanDerWaalsContact O-CB 3.3Å; N165-A169 WeakPolarHBondContact O-CB 3.49Å; N165-A169 PolarHBondContact O-N 2.96Å |
| 166 | K | 81.5 | Confident | 81.9 | Confident | 135 Ų | 135 | 107.9 Ų | 107.9 | 59% | 0.587 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -83.1 | -28.7 | 175.1 | -170.1 | 176.1 | 179.3 | -176.1 | 0 | 112.8 | F162 L163 K164 A169 | F162-K166 HydrophobicContact CE1-CD 4.25Å; F162-K166 HydrophobicContact CZ-CD 4.47Å; F162-K166 WeakPolarHBondContact O-CB 3.44Å; F162-K166 PolarHBondContact O-N 3.39Å; L163-K166 CarbonylContact O-C 3.6Å; L163-K166 PolarHBondContact O-N 3.2Å; L163-K166 VanDerWaalsContact O-N 3.08Å; K164-K166 VanDerWaalsContact C-N 3.26Å; K164-K166 PolarHBondContact O-N 3.47Å; K166-A169 WeakPolarHBondContact O-CB 3.44Å |
| 167 | V | 75.4 | Confident | 81.6 | Confident | 111 Ų | 111 | 106.4 Ų | 106.4 | 67% | 0.673 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -79.8 | -40.8 | 173.1 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | L163 K164 A169 T172 | L163-V167 WeakPolarHBondContact O-CG2 3.32Å; L163-V167 PolarHBondContact O-N 3.11Å; K164-V167 PolarHBondContact O-N 3.32Å; V167-A169 PolarHBondContact O-N 3.04Å; V167-T172 PolarHBondContact O-OG1 3.14Å |
| 168 | S | 67.6 | Low | 81.4 | Confident | 80 Ų | 80 | 102.7 Ų | 102.7 | 56% | 0.559 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -82.7 | 3.7 | 170.8 | 76.6 | 0 | 0 | 0 | 0 | 113.4 | K164 D170 | K164-S168 WeakPolarHBondContact O-CB 3.43Å; K164-S168 PolarHBondContact O-N 3.37Å; K164-S168 PolarHBondContact O-OG 3.33Å; K164-S168 VanDerWaalsContact O-OG 3.04Å; S168-D170 PolarHBondContact O-N 3.39Å |
| 169 | A | 64.4 | Low | 81.3 | Confident | 32 Ų | 32 | 99 Ų | 99 | 26% | 0.264 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -61.7 | 123.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | N165 K166 V167 T171 T172 | N165-A169 WeakPolarHBondContact O-CA 3.49Å; N165-A169 VanDerWaalsContact O-CB 3.3Å; N165-A169 WeakPolarHBondContact O-CB 3.49Å; N165-A169 PolarHBondContact O-N 2.96Å; K166-A169 WeakPolarHBondContact O-CB 3.44Å; V167-A169 PolarHBondContact O-N 3.04Å; A169-T171 PolarHBondContact O-N 3.01Å; A169-T172 PolarHBondContact O-N 3.23Å; A169-T172 VanDerWaalsContact O-N 3.1Å; A169-T172 PolarHBondContact O-OG1 3.46Å |
| 170 | D | 60 | Low | 81.3 | Confident | 87 Ų | 87 | 98.9 Ų | 98.9 | 47% | 0.465 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.7 | -16.2 | -167.5 | -139.2 | 0.4 | 0 | 0 | 0 | 113.6 | S168 K174 | S168-D170 PolarHBondContact O-N 3.39Å; D170-K174 HydrophobicContact CB-CD 4.31Å; D170-K174 VanDerWaalsContact CG-NZ 3.31Å; D170-K174 WeakPolarHBondContact O-CB 3.29Å; D170-K174 WeakPolarHBondContact O-CD 3.33Å; D170-K174 WeakPolarHBondContact O-CG 3.46Å; D170-K174 PolarHBondContact O-N 3.06Å; D170-K174 WeakPolarHBondContact OD2-CE 3.34Å; D170-K174 IonicContact OD2-NZ 2.68Å; D170-K174 PolarHBondContact OD2-NZ 2.67Å |
| 171 | T | 66.7 | Low | 81.4 | Confident | 108 Ų | 108 | 99.5 Ų | 99.5 | 66% | 0.663 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65 | -39.1 | 176.3 | 52.3 | 0 | 0 | 0 | 0 | 114.1 | A169 R175 | A169-T171 PolarHBondContact O-N 3.01Å; T171-R175 VanDerWaalsContact O-CB 3.25Å; T171-R175 WeakPolarHBondContact O-CB 3.34Å; T171-R175 PolarHBondContact O-N 2.95Å |
| 172 | T | 74.9 | Confident | 81.5 | Confident | 60 Ų | 60 | 99.5 Ų | 99.5 | 37% | 0.368 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.6 | -48.8 | 177.1 | 53.7 | 0 | 0 | 0 | 0 | 110.1 | V167 A169 R175 I176 | V167-T172 PolarHBondContact O-OG1 3.14Å; A169-T172 PolarHBondContact O-N 3.23Å; A169-T172 VanDerWaalsContact O-N 3.1Å; A169-T172 PolarHBondContact O-OG1 3.46Å; T172-R175 PolarHBondContact O-N 3.23Å; T172-I176 WeakPolarHBondContact O-CG1 3.16Å; T172-I176 PolarHBondContact O-N 2.98Å |
| 173 | K | 80.7 | Confident | 81.9 | Confident | 131 Ų | 131 | 99.1 Ų | 99.1 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.2 | -42.9 | 179.8 | -167.4 | 176 | -178.5 | -178.9 | 0 | 112.1 | I176 N177 | K173-I176 PolarHBondContact O-N 3.25Å; K173-N177 WeakPolarHBondContact O-CB 3.48Å; K173-N177 VanDerWaalsContact O-CG 3.27Å; K173-N177 PolarHBondContact O-N 2.91Å; K173-N177 PolarHBondContact O-OD1 3.33Å |
| 174 | K | 82.8 | Confident | 82.3 | Confident | 123 Ų | 123 | 100 Ų | 100 | 54% | 0.535 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.8 | -39.1 | 173.9 | -74.4 | 168.9 | -178.1 | 165.3 | 0 | 112.2 | D170 N177 S178 | D170-K174 HydrophobicContact CB-CD 4.31Å; D170-K174 VanDerWaalsContact CG-NZ 3.31Å; D170-K174 WeakPolarHBondContact O-CB 3.29Å; D170-K174 WeakPolarHBondContact O-CD 3.33Å; D170-K174 WeakPolarHBondContact O-CG 3.46Å; D170-K174 PolarHBondContact O-N 3.06Å; D170-K174 WeakPolarHBondContact OD2-CE 3.34Å; D170-K174 IonicContact OD2-NZ 2.68Å; D170-K174 PolarHBondContact OD2-NZ 2.67Å; K174-N177 PolarHBondContact O-N 2.96Å; K174-S178 VanDerWaalsContact O-CB 3.31Å; K174-S178 WeakPolarHBondContact O-CB 3.3Å; K174-S178 PolarHBondContact O-N 3.23Å |
| 175 | R | 84.9 | Confident | 82.6 | Confident | 185 Ų | 185 | 99.6 Ų | 99.6 | 70% | 0.698 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65 | -42.2 | 175.2 | -173.6 | 175 | -177.7 | -179.5 | 0.2 | 112 | T171 T172 S178 L179 | T171-R175 VanDerWaalsContact O-CB 3.25Å; T171-R175 WeakPolarHBondContact O-CB 3.34Å; T171-R175 PolarHBondContact O-N 2.95Å; T172-R175 PolarHBondContact O-N 3.23Å; R175-S178 PolarHBondContact O-N 3.04Å; R175-L179 HydrophobicContact CG-CD1 4.1Å; R175-L179 WeakPolarHBondContact O-CB 3.23Å; R175-L179 VanDerWaalsContact O-CG 3.29Å; R175-L179 WeakPolarHBondContact O-CG 3.34Å; R175-L179 PolarHBondContact O-N 2.99Å |
| 176 | I | 84.8 | Confident | 83.1 | Confident | 103 Ų | 103 | 99.4 Ų | 99.4 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 174.7 | -69.6 | 165.1 | 0 | 0 | 0 | 110.7 | T172 K173 S178 L179 T180 | T172-I176 WeakPolarHBondContact O-CG1 3.16Å; T172-I176 PolarHBondContact O-N 2.98Å; K173-I176 PolarHBondContact O-N 3.25Å; I176-S178 PolarHBondContact O-N 2.94Å; I176-L179 PolarHBondContact O-N 2.95Å; I176-T180 WeakPolarHBondContact O-CB 3.49Å; I176-T180 PolarHBondContact O-N 3Å; I176-T180 PolarHBondContact O-OG1 3.06Å |
| 177 | N | 86.9 | Confident | 83.7 | Confident | 93 Ų | 93 | 100.9 Ų | 100.9 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.6 | -39 | 177.7 | -72.4 | 14.8 | 0 | 0 | 0 | 112.3 | K173 K174 T180 M181 | K173-N177 WeakPolarHBondContact O-CB 3.48Å; K173-N177 VanDerWaalsContact O-CG 3.27Å; K173-N177 PolarHBondContact O-N 2.91Å; K173-N177 PolarHBondContact O-OD1 3.33Å; K174-N177 PolarHBondContact O-N 2.96Å; N177-T180 PolarHBondContact O-N 3.41Å; N177-M181 PolarHBondContact O-N 3.14Å |
| 178 | S | 90.8 | Very high | 84.6 | Confident | 52 Ų | 52 | 99.6 Ų | 99.6 | 36% | 0.364 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.1 | -53.5 | 174.2 | -161 | 0 | 0 | 0 | 0 | 110.3 | K174 R175 I176 T180 M181 E182 | K174-S178 VanDerWaalsContact O-CB 3.31Å; K174-S178 WeakPolarHBondContact O-CB 3.3Å; K174-S178 PolarHBondContact O-N 3.23Å; R175-S178 PolarHBondContact O-N 3.04Å; I176-S178 PolarHBondContact O-N 2.94Å; S178-T180 PolarHBondContact O-N 3.19Å; S178-M181 CarbonylContact O-C 3.57Å; S178-M181 WeakPolarHBondContact O-CA 3.28Å; S178-M181 WeakPolarHBondContact O-CB 3.3Å; S178-M181 PolarHBondContact O-N 3.1Å; S178-E182 VanDerWaalsContact CB-OE1 3.26Å; S178-E182 WeakPolarHBondContact CB-OE1 3.46Å; S178-E182 WeakPolarHBondContact O-CB 3.41Å; S178-E182 VanDerWaalsContact O-CG 3.29Å; S178-E182 WeakPolarHBondContact O-CG 3.32Å; S178-E182 PolarHBondContact O-N 2.96Å; S178-E182 PolarHBondContact OG-OE1 3.24Å |
| 179 | L | 90.9 | Very high | 85.9 | Confident | 81 Ų | 81 | 100.9 Ų | 100.9 | 42% | 0.424 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.9 | -34.8 | 176.8 | -70.9 | 166.5 | 0 | 0 | 0 | 112.5 | R175 I176 E182 L183 | R175-L179 HydrophobicContact CG-CD1 4.1Å; R175-L179 WeakPolarHBondContact O-CB 3.23Å; R175-L179 VanDerWaalsContact O-CG 3.29Å; R175-L179 WeakPolarHBondContact O-CG 3.34Å; R175-L179 PolarHBondContact O-N 2.99Å; I176-L179 PolarHBondContact O-N 2.95Å; L179-E182 PolarHBondContact N-OE1 3.48Å; L179-L183 VanDerWaalsContact O-CB 3.27Å; L179-L183 WeakPolarHBondContact O-CB 3.4Å; L179-L183 WeakPolarHBondContact O-CD1 3.45Å; L179-L183 WeakPolarHBondContact O-CG 3.39Å; L179-L183 PolarHBondContact O-N 2.87Å |
| 180 | T | 91.6 | Very high | 87.3 | Confident | 78 Ų | 78 | 104.1 Ų | 104.1 | 48% | 0.479 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.1 | -35.5 | 175.9 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | I176 N177 S178 M184 | I176-T180 WeakPolarHBondContact O-CB 3.49Å; I176-T180 PolarHBondContact O-N 3Å; I176-T180 PolarHBondContact O-OG1 3.06Å; N177-T180 PolarHBondContact O-N 3.41Å; S178-T180 PolarHBondContact O-N 3.19Å; T180-M184 WeakPolarHBondContact O-CB 3.43Å; T180-M184 PolarHBondContact O-N 3.07Å; T180-M184 VanDerWaalsContact O-N 3.15Å |
| 181 | M | 94 | Very high | 88.9 | Confident | 110 Ų | 110 | 103 Ų | 103 | 54% | 0.542 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -72.8 | -45.9 | 175.2 | -161.8 | 175.8 | 81.8 | 0 | 0 | 111 | N177 S178 L183 M184 E185 | N177-M181 PolarHBondContact O-N 3.14Å; S178-M181 CarbonylContact O-C 3.57Å; S178-M181 WeakPolarHBondContact O-CA 3.28Å; S178-M181 WeakPolarHBondContact O-CB 3.3Å; S178-M181 PolarHBondContact O-N 3.1Å; M181-L183 VanDerWaalsContact C-N 3.33Å; M181-L183 PolarHBondContact O-N 2.94Å; M181-M184 CarbonylContact O-C 3.53Å; M181-M184 WeakPolarHBondContact O-CA 3.34Å; M181-M184 WeakPolarHBondContact O-CB 3.17Å; M181-M184 PolarHBondContact O-N 3.5Å; M181-E185 WeakPolarHBondContact O-CG 3.43Å; M181-E185 PolarHBondContact O-N 3.49Å |
| 182 | E | 93.3 | Very high | 90.2 | Very high | 83 Ų | 83 | 101.3 Ų | 101.3 | 39% | 0.388 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57 | -43.8 | 173.8 | -68.1 | 156.9 | -131.4 | 0 | 0 | 111.4 | S178 L179 M184 E185 V186 | S178-E182 VanDerWaalsContact CB-OE1 3.26Å; S178-E182 WeakPolarHBondContact CB-OE1 3.46Å; S178-E182 WeakPolarHBondContact O-CB 3.41Å; S178-E182 VanDerWaalsContact O-CG 3.29Å; S178-E182 WeakPolarHBondContact O-CG 3.32Å; S178-E182 PolarHBondContact O-N 2.96Å; S178-E182 PolarHBondContact OG-OE1 3.24Å; L179-E182 PolarHBondContact N-OE1 3.48Å; E182-M184 VanDerWaalsContact C-N 3.33Å; E182-M184 PolarHBondContact O-N 2.92Å; E182-E185 PolarHBondContact O-N 3.31Å; E182-V186 WeakPolarHBondContact O-CB 3.15Å; E182-V186 VanDerWaalsContact O-CG2 3.31Å; E182-V186 WeakPolarHBondContact O-CG2 3.25Å; E182-V186 PolarHBondContact O-N 3.43Å |
| 183 | L | 93.6 | Very high | 91 | Very high | 123 Ų | 123 | 103.5 Ų | 103.5 | 64% | 0.644 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.4 | -34.6 | 173.9 | -76.5 | 168.3 | 0 | 0 | 0 | 112.9 | L179 M181 R187 | L179-L183 VanDerWaalsContact O-CB 3.27Å; L179-L183 WeakPolarHBondContact O-CB 3.4Å; L179-L183 WeakPolarHBondContact O-CD1 3.45Å; L179-L183 WeakPolarHBondContact O-CG 3.39Å; L179-L183 PolarHBondContact O-N 2.87Å; M181-L183 VanDerWaalsContact C-N 3.33Å; M181-L183 PolarHBondContact O-N 2.94Å; L183-R187 VanDerWaalsContact O-CB 3.27Å; L183-R187 WeakPolarHBondContact O-CB 3.33Å; L183-R187 PolarHBondContact O-N 3.18Å |
| 184 | M | 94.1 | Very high | 91.6 | Very high | 115 Ų | 115 | 100.7 Ų | 100.7 | 57% | 0.567 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -71.6 | -40.1 | 176 | -169.9 | 177.4 | -65.8 | 0 | 0 | 111.5 | T180 M181 E182 R187 N188 | T180-M184 WeakPolarHBondContact O-CB 3.43Å; T180-M184 PolarHBondContact O-N 3.07Å; T180-M184 VanDerWaalsContact O-N 3.15Å; M181-M184 CarbonylContact O-C 3.53Å; M181-M184 WeakPolarHBondContact O-CA 3.34Å; M181-M184 WeakPolarHBondContact O-CB 3.17Å; M181-M184 PolarHBondContact O-N 3.5Å; E182-M184 VanDerWaalsContact C-N 3.33Å; E182-M184 PolarHBondContact O-N 2.92Å; M184-R187 PolarHBondContact O-N 2.95Å; M184-N188 WeakPolarHBondContact O-CB 3.27Å; M184-N188 PolarHBondContact O-N 2.92Å; M184-N188 PolarHBondContact O-ND2 2.82Å; M184-N188 PolarHBondContact O-OD1 2.9Å |
| 185 | E | 93 | Very high | 92.2 | Very high | 101 Ų | 101 | 100.8 Ų | 100.8 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 174.2 | -71.3 | 173.3 | -162.5 | 0 | 0 | 111.6 | M181 E182 R187 N188 N189 | M181-E185 WeakPolarHBondContact O-CG 3.43Å; M181-E185 PolarHBondContact O-N 3.49Å; E182-E185 PolarHBondContact O-N 3.31Å; E185-R187 VanDerWaalsContact C-N 3.34Å; E185-R187 PolarHBondContact O-N 3.38Å; E185-N188 PolarHBondContact O-N 3.26Å; E185-N189 WeakPolarHBondContact O-CB 3.43Å; E185-N189 VanDerWaalsContact O-CG 3.26Å; E185-N189 PolarHBondContact O-N 3.41Å; E185-N189 PolarHBondContact O-ND2 2.74Å; E185-N189 VanDerWaalsContact O-ND2 3.08Å |
| 186 | V | 93.7 | Very high | 92.7 | Very high | 96 Ų | 96 | 95.7 Ų | 95.7 | 58% | 0.582 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.3 | -41.7 | 174.5 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | E182 N189 L190 | E182-V186 WeakPolarHBondContact O-CB 3.15Å; E182-V186 VanDerWaalsContact O-CG2 3.31Å; E182-V186 WeakPolarHBondContact O-CG2 3.25Å; E182-V186 PolarHBondContact O-N 3.43Å; V186-N189 PolarHBondContact O-N 2.98Å; V186-L190 WeakPolarHBondContact O-CB 3.16Å; V186-L190 PolarHBondContact O-N 3.11Å |
| 187 | R | 94.6 | Very high | 93.1 | Very high | 166 Ų | 166 | 95.9 Ų | 95.9 | 63% | 0.626 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.9 | -48.4 | 174.6 | 179.4 | 178.5 | 177.2 | 164.3 | 4.7 | 112 | L183 M184 E185 N189 L190 D191 | L183-R187 VanDerWaalsContact O-CB 3.27Å; L183-R187 WeakPolarHBondContact O-CB 3.33Å; L183-R187 PolarHBondContact O-N 3.18Å; M184-R187 PolarHBondContact O-N 2.95Å; E185-R187 VanDerWaalsContact C-N 3.34Å; E185-R187 PolarHBondContact O-N 3.38Å; R187-N189 VanDerWaalsContact C-N 3.28Å; R187-N189 PolarHBondContact O-N 2.95Å; R187-L190 WeakPolarHBondContact O-CB 3.47Å; R187-L190 PolarHBondContact O-N 3.44Å; R187-L190 VanDerWaalsContact O-N 3.11Å; R187-D191 IonicContact NE-OD2 3.72Å; R187-D191 PolarHBondContact O-N 3.03Å |
| 188 | N | 94.1 | Very high | 93.4 | Very high | 85 Ų | 85 | 94.7 Ų | 94.7 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.8 | -39.4 | 178.8 | -67.5 | -16.2 | 0 | 0 | 0 | 111.4 | M184 E185 D191 V192 | M184-N188 WeakPolarHBondContact O-CB 3.27Å; M184-N188 PolarHBondContact O-N 2.92Å; M184-N188 PolarHBondContact O-ND2 2.82Å; M184-N188 PolarHBondContact O-OD1 2.9Å; E185-N188 PolarHBondContact O-N 3.26Å; N188-D191 PolarHBondContact O-N 3.34Å; N188-V192 WeakPolarHBondContact O-CG2 3.11Å; N188-V192 PolarHBondContact O-N 3.38Å |
| 189 | N | 94.3 | Very high | 93.6 | Very high | 107 Ų | 107 | 98.4 Ų | 98.4 | 57% | 0.572 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65 | -39 | 174.5 | -72 | -36 | 0 | 0 | 0 | 112.3 | E185 V186 R187 K193 | E185-N189 WeakPolarHBondContact O-CB 3.43Å; E185-N189 VanDerWaalsContact O-CG 3.26Å; E185-N189 PolarHBondContact O-N 3.41Å; E185-N189 PolarHBondContact O-ND2 2.74Å; E185-N189 VanDerWaalsContact O-ND2 3.08Å; V186-N189 PolarHBondContact O-N 2.98Å; R187-N189 VanDerWaalsContact C-N 3.28Å; R187-N189 PolarHBondContact O-N 2.95Å; N189-K193 WeakPolarHBondContact O-CG 3.46Å; N189-K193 PolarHBondContact O-N 3.06Å |
| 190 | L | 93.8 | Very high | 93.7 | Very high | 100 Ų | 100 | 99.4 Ų | 99.4 | 52% | 0.524 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 173.9 | 179.2 | 62.1 | 0 | 0 | 0 | 111.6 | V186 R187 V192 K193 N194 | V186-L190 WeakPolarHBondContact O-CB 3.16Å; V186-L190 PolarHBondContact O-N 3.11Å; R187-L190 WeakPolarHBondContact O-CB 3.47Å; R187-L190 PolarHBondContact O-N 3.44Å; R187-L190 VanDerWaalsContact O-N 3.11Å; L190-V192 VanDerWaalsContact C-N 3.33Å; L190-V192 PolarHBondContact O-N 3.25Å; L190-K193 PolarHBondContact O-N 2.97Å; L190-K193 VanDerWaalsContact O-N 3.14Å; L190-N194 WeakPolarHBondContact O-CB 3.24Å; L190-N194 VanDerWaalsContact O-CG 3.22Å; L190-N194 PolarHBondContact O-N 2.87Å; L190-N194 PolarHBondContact O-ND2 2.93Å |
| 191 | D | 93.1 | Very high | 93.8 | Very high | 64 Ų | 64 | 100.9 Ų | 100.9 | 34% | 0.342 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -38 | 178.1 | -71.2 | -29.6 | 0 | 0 | 0 | 111.4 | R187 N188 Q195 | R187-D191 IonicContact NE-OD2 3.72Å; R187-D191 PolarHBondContact O-N 3.03Å; N188-D191 PolarHBondContact O-N 3.34Å; D191-Q195 WeakPolarHBondContact O-CG 3.33Å; D191-Q195 PolarHBondContact O-N 3.46Å; D191-Q195 VanDerWaalsContact O-N 3.15Å |
| 192 | V | 93.8 | Very high | 93.7 | Very high | 71 Ų | 71 | 100.5 Ų | 100.5 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 170.7 | 170.5 | 0 | 0 | 0 | 0 | 111.7 | N188 L190 N194 Q195 E196 | N188-V192 WeakPolarHBondContact O-CG2 3.11Å; N188-V192 PolarHBondContact O-N 3.38Å; L190-V192 VanDerWaalsContact C-N 3.33Å; L190-V192 PolarHBondContact O-N 3.25Å; V192-N194 VanDerWaalsContact C-N 3.33Å; V192-N194 PolarHBondContact O-N 3.27Å; V192-Q195 WeakPolarHBondContact O-CB 3.42Å; V192-Q195 PolarHBondContact O-N 2.56Å; V192-Q195 VanDerWaalsContact O-N 3.15Å; V192-E196 PolarHBondContact O-N 3.37Å |
| 193 | K | 93 | Very high | 93.8 | Very high | 106 Ų | 106 | 100.8 Ų | 100.8 | 46% | 0.461 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.8 | -32.8 | 178 | -71.7 | -67.3 | 170.5 | -143.8 | 0 | 113 | N189 L190 Q195 E196 L197 | N189-K193 WeakPolarHBondContact O-CG 3.46Å; N189-K193 PolarHBondContact O-N 3.06Å; L190-K193 PolarHBondContact O-N 2.97Å; L190-K193 VanDerWaalsContact O-N 3.14Å; K193-Q195 VanDerWaalsContact C-N 3.34Å; K193-E196 WeakPolarHBondContact CD-OE2 3.34Å; K193-E196 IonicContact NZ-OE1 3.69Å; K193-E196 PolarHBondContact NZ-OE1 3.37Å; K193-E196 IonicContact NZ-OE2 2.77Å; K193-E196 PolarHBondContact NZ-OE2 3.13Å; K193-E196 PolarHBondContact O-N 3.1Å; K193-L197 WeakPolarHBondContact O-CB 3.42Å; K193-L197 VanDerWaalsContact O-CG 3.3Å; K193-L197 WeakPolarHBondContact O-CG 3.46Å; K193-L197 PolarHBondContact O-N 2.95Å |
| 194 | N | 93.4 | Very high | 93.7 | Very high | 72 Ų | 72 | 98.2 Ų | 98.2 | 39% | 0.385 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.8 | -36.1 | 171.7 | -70.2 | -23.3 | 0 | 0 | 0 | 111.9 | L190 V192 S198 | L190-N194 WeakPolarHBondContact O-CB 3.24Å; L190-N194 VanDerWaalsContact O-CG 3.22Å; L190-N194 PolarHBondContact O-N 2.87Å; L190-N194 PolarHBondContact O-ND2 2.93Å; V192-N194 VanDerWaalsContact C-N 3.33Å; V192-N194 PolarHBondContact O-N 3.27Å; N194-S198 WeakPolarHBondContact O-CB 3.46Å; N194-S198 PolarHBondContact O-N 3.15Å; N194-S198 PolarHBondContact O-OG 3.42Å |
| 195 | Q | 95.2 | Very high | 93.6 | Very high | 125 Ų | 125 | 96.3 Ų | 96.3 | 58% | 0.584 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.3 | -43.7 | 172.9 | -69.5 | 169.6 | 24.2 | 0 | 0 | 111.9 | D191 V192 K193 L197 S198 L199 | D191-Q195 WeakPolarHBondContact O-CG 3.33Å; D191-Q195 PolarHBondContact O-N 3.46Å; D191-Q195 VanDerWaalsContact O-N 3.15Å; V192-Q195 WeakPolarHBondContact O-CB 3.42Å; V192-Q195 PolarHBondContact O-N 2.56Å; V192-Q195 VanDerWaalsContact O-N 3.15Å; K193-Q195 VanDerWaalsContact C-N 3.34Å; Q195-L197 PolarHBondContact O-N 3.14Å; Q195-S198 PolarHBondContact O-N 3.21Å; Q195-L199 WeakPolarHBondContact O-CG 3.36Å; Q195-L199 PolarHBondContact O-N 2.92Å |
| 196 | E | 94.3 | Very high | 93.7 | Very high | 79 Ų | 79 | 93 Ų | 93 | 37% | 0.369 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.3 | -46.8 | 173.2 | -72.4 | 176.6 | -148 | 0 | 0 | 111.9 | V192 K193 S198 L199 L200 | V192-E196 PolarHBondContact O-N 3.37Å; K193-E196 WeakPolarHBondContact CD-OE2 3.34Å; K193-E196 IonicContact NZ-OE1 3.69Å; K193-E196 PolarHBondContact NZ-OE1 3.37Å; K193-E196 IonicContact NZ-OE2 2.77Å; K193-E196 PolarHBondContact NZ-OE2 3.13Å; K193-E196 PolarHBondContact O-N 3.1Å; E196-S198 PolarHBondContact O-N 3.49Å; E196-L199 PolarHBondContact O-N 2.93Å; E196-L200 WeakPolarHBondContact O-CG 3.42Å; E196-L200 PolarHBondContact O-N 3.41Å |
| 197 | L | 93.3 | Very high | 93.7 | Very high | 107 Ų | 107 | 93.4 Ų | 93.4 | 56% | 0.56 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.2 | -41 | 176.9 | -74.4 | 169.5 | 0 | 0 | 0 | 112.1 | K193 Q195 L199 L200 Q201 | K193-L197 WeakPolarHBondContact O-CB 3.42Å; K193-L197 VanDerWaalsContact O-CG 3.3Å; K193-L197 WeakPolarHBondContact O-CG 3.46Å; K193-L197 PolarHBondContact O-N 2.95Å; Q195-L197 PolarHBondContact O-N 3.14Å; L197-L199 PolarHBondContact O-N 3.03Å; L197-L200 PolarHBondContact O-N 3.49Å; L197-Q201 WeakPolarHBondContact O-CB 3.46Å; L197-Q201 PolarHBondContact O-N 2.96Å |
| 198 | S | 94.4 | Very high | 93.6 | Very high | 68 Ų | 68 | 91 Ų | 91 | 48% | 0.476 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 176.3 | -59.1 | 0 | 0 | 0 | 0 | 112 | N194 Q195 E196 Q201 V202 | N194-S198 WeakPolarHBondContact O-CB 3.46Å; N194-S198 PolarHBondContact O-N 3.15Å; N194-S198 PolarHBondContact O-OG 3.42Å; Q195-S198 PolarHBondContact O-N 3.21Å; E196-S198 PolarHBondContact O-N 3.49Å; S198-Q201 PolarHBondContact O-N 2.96Å; S198-V202 WeakPolarHBondContact O-CG2 3.12Å; S198-V202 PolarHBondContact O-N 3.12Å |
| 199 | L | 93.9 | Very high | 93.7 | Very high | 129 Ų | 129 | 92.5 Ų | 92.5 | 68% | 0.675 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68 | -39.5 | 175.8 | -70.4 | 169.8 | 0 | 0 | 0 | 112.1 | Q195 E196 L197 N203 | Q195-L199 WeakPolarHBondContact O-CG 3.36Å; Q195-L199 PolarHBondContact O-N 2.92Å; E196-L199 PolarHBondContact O-N 2.93Å; L197-L199 PolarHBondContact O-N 3.03Å; L199-N203 WeakPolarHBondContact O-CB 3.48Å; L199-N203 PolarHBondContact O-N 3.06Å |
| 200 | L | 93.6 | Very high | 93.7 | Very high | 102 Ų | 102 | 91.3 Ų | 91.3 | 53% | 0.534 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 174.5 | -73.3 | 169.8 | 0 | 0 | 0 | 111.7 | E196 L197 N203 T204 | E196-L200 WeakPolarHBondContact O-CG 3.42Å; E196-L200 PolarHBondContact O-N 3.41Å; L197-L200 PolarHBondContact O-N 3.49Å; L200-N203 PolarHBondContact O-N 3.28Å; L200-T204 WeakPolarHBondContact O-CG2 3.47Å; L200-T204 PolarHBondContact O-N 3.25Å; L200-T204 PolarHBondContact O-OG1 2.86Å; L200-T204 VanDerWaalsContact O-OG1 3.05Å |
| 201 | Q | 92.9 | Very high | 93.7 | Very high | 110 Ų | 110 | 92 Ų | 92 | 51% | 0.514 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.8 | -49.2 | 174.8 | -179 | -179.8 | -19 | 0 | 0 | 111.5 | L197 S198 N203 T204 E205 | L197-Q201 WeakPolarHBondContact O-CB 3.46Å; L197-Q201 PolarHBondContact O-N 2.96Å; S198-Q201 PolarHBondContact O-N 2.96Å; Q201-N203 VanDerWaalsContact C-N 3.26Å; Q201-N203 PolarHBondContact O-N 3.07Å; Q201-T204 PolarHBondContact O-N 3.08Å; Q201-T204 PolarHBondContact O-OG1 3.21Å; Q201-E205 HydrophobicContact CG-CG 4.36Å; Q201-E205 WeakPolarHBondContact CG-OE1 3.49Å; Q201-E205 PolarHBondContact NE2-OE1 3.42Å; Q201-E205 WeakPolarHBondContact O-CB 3.42Å; Q201-E205 WeakPolarHBondContact O-CG 3.31Å; Q201-E205 PolarHBondContact O-N 3.05Å |
| 202 | V | 93.1 | Very high | 93.8 | Very high | 101 Ų | 101 | 94.3 Ų | 94.3 | 61% | 0.612 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.2 | -36.9 | 178.4 | 170.4 | 0 | 0 | 0 | 0 | 111.5 | S198 G206 | S198-V202 WeakPolarHBondContact O-CG2 3.12Å; S198-V202 PolarHBondContact O-N 3.12Å; V202-G206 PolarHBondContact O-N 3.37Å |
| 203 | N | 94.1 | Very high | 93.8 | Very high | 90 Ų | 90 | 94.8 Ų | 94.8 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.9 | -46.1 | 176.1 | -173.3 | 32.6 | 0 | 0 | 0 | 112.4 | L199 L200 Q201 G206 Q207 | L199-N203 WeakPolarHBondContact O-CB 3.48Å; L199-N203 PolarHBondContact O-N 3.06Å; L200-N203 PolarHBondContact O-N 3.28Å; Q201-N203 VanDerWaalsContact C-N 3.26Å; Q201-N203 PolarHBondContact O-N 3.07Å; N203-G206 PolarHBondContact O-N 2.88Å; N203-Q207 WeakPolarHBondContact O-CG 3.29Å; N203-Q207 PolarHBondContact O-N 2.96Å |
| 204 | T | 91.6 | Very high | 93.8 | Very high | 69 Ų | 69 | 94.1 Ų | 94.1 | 42% | 0.423 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.4 | -37.2 | 179 | 52.7 | 0 | 0 | 0 | 0 | 112.4 | L200 Q201 G206 Q207 L208 | L200-T204 WeakPolarHBondContact O-CG2 3.47Å; L200-T204 PolarHBondContact O-N 3.25Å; L200-T204 PolarHBondContact O-OG1 2.86Å; L200-T204 VanDerWaalsContact O-OG1 3.05Å; Q201-T204 PolarHBondContact O-N 3.08Å; Q201-T204 PolarHBondContact O-OG1 3.21Å; T204-G206 VanDerWaalsContact C-N 3.28Å; T204-G206 PolarHBondContact O-N 3.13Å; T204-Q207 PolarHBondContact O-N 3.42Å; T204-L208 WeakPolarHBondContact O-CB 3.27Å; T204-L208 VanDerWaalsContact O-CG 3.31Å; T204-L208 WeakPolarHBondContact O-CG 3.32Å; T204-L208 PolarHBondContact O-N 3.16Å |
| 205 | E | 93.4 | Very high | 93.8 | Very high | 74 Ų | 74 | 97.4 Ų | 97.4 | 35% | 0.346 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.4 | -37.6 | 168.4 | -78.5 | -172.2 | -146.1 | 0 | 0 | 112.3 | Q201 K209 | Q201-E205 HydrophobicContact CG-CG 4.36Å; Q201-E205 WeakPolarHBondContact CG-OE1 3.49Å; Q201-E205 PolarHBondContact NE2-OE1 3.42Å; Q201-E205 WeakPolarHBondContact O-CB 3.42Å; Q201-E205 WeakPolarHBondContact O-CG 3.31Å; Q201-E205 PolarHBondContact O-N 3.05Å; E205-K209 WeakPolarHBondContact O-CB 3.46Å; E205-K209 WeakPolarHBondContact O-CD 3.37Å; E205-K209 VanDerWaalsContact O-CG 3.26Å; E205-K209 WeakPolarHBondContact O-CG 3.26Å; E205-K209 PolarHBondContact O-N 2.94Å; E205-K209 IonicContact OE2-NZ 2.61Å; E205-K209 PolarHBondContact OE2-NZ 3.45Å |
| 206 | G | 95 | Very high | 93.9 | Very high | 32 Ų | 32 | 96.6 Ų | 96.6 | 33% | 0.33 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -47 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V202 N203 T204 K209 V210 | V202-G206 PolarHBondContact O-N 3.37Å; N203-G206 PolarHBondContact O-N 2.88Å; T204-G206 VanDerWaalsContact C-N 3.28Å; T204-G206 PolarHBondContact O-N 3.13Å; G206-K209 PolarHBondContact O-N 3.49Å; G206-V210 WeakPolarHBondContact O-CG2 3.21Å; G206-V210 PolarHBondContact O-N 3.26Å; G206-V210 VanDerWaalsContact O-N 3.09Å |
| 207 | Q | 92.8 | Very high | 93.9 | Very high | 105 Ų | 105 | 95.4 Ų | 95.4 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 176.5 | -69.9 | 173.7 | 1.3 | 0 | 0 | 112.2 | N203 T204 V210 L211 | N203-Q207 WeakPolarHBondContact O-CG 3.29Å; N203-Q207 PolarHBondContact O-N 2.96Å; T204-Q207 PolarHBondContact O-N 3.42Å; Q207-V210 PolarHBondContact O-N 3.48Å; Q207-L211 WeakPolarHBondContact O-CG 3.38Å; Q207-L211 PolarHBondContact O-N 3.18Å |
| 208 | L | 93.3 | Very high | 93.8 | Very high | 114 Ų | 114 | 92.7 Ų | 92.7 | 60% | 0.597 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.7 | -42.6 | 175.3 | -74.1 | 169.8 | 0 | 0 | 0 | 111.9 | T204 V210 L211 E212 | T204-L208 WeakPolarHBondContact O-CB 3.27Å; T204-L208 VanDerWaalsContact O-CG 3.31Å; T204-L208 WeakPolarHBondContact O-CG 3.32Å; T204-L208 PolarHBondContact O-N 3.16Å; L208-V210 PolarHBondContact O-N 3.1Å; L208-L211 PolarHBondContact O-N 3.4Å; L208-E212 WeakPolarHBondContact O-CB 3.36Å; L208-E212 PolarHBondContact O-N 2.94Å |
| 209 | K | 95.1 | Very high | 93.9 | Very high | 118 Ų | 118 | 98.2 Ų | 98.2 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.3 | -38.7 | 176.6 | -74.1 | 160.3 | -171.6 | 151.2 | 0 | 112.2 | E205 G206 E212 T213 | E205-K209 WeakPolarHBondContact O-CB 3.46Å; E205-K209 WeakPolarHBondContact O-CD 3.37Å; E205-K209 VanDerWaalsContact O-CG 3.26Å; E205-K209 WeakPolarHBondContact O-CG 3.26Å; E205-K209 PolarHBondContact O-N 2.94Å; E205-K209 IonicContact OE2-NZ 2.61Å; E205-K209 PolarHBondContact OE2-NZ 3.45Å; G206-K209 PolarHBondContact O-N 3.49Å; K209-E212 PolarHBondContact O-N 3.37Å; K209-T213 PolarHBondContact O-N 2.75Å; K209-T213 PolarHBondContact O-OG1 2.98Å |
| 210 | V | 93.9 | Very high | 94 | Very high | 82 Ų | 82 | 94.7 Ų | 94.7 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.8 | -50.4 | 174.4 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | G206 Q207 L208 E212 T213 D214 | G206-V210 WeakPolarHBondContact O-CG2 3.21Å; G206-V210 PolarHBondContact O-N 3.26Å; G206-V210 VanDerWaalsContact O-N 3.09Å; Q207-V210 PolarHBondContact O-N 3.48Å; L208-V210 PolarHBondContact O-N 3.1Å; V210-E212 VanDerWaalsContact C-N 3.26Å; V210-E212 PolarHBondContact O-N 2.83Å; V210-T213 WeakPolarHBondContact CA-OG1 3.47Å; V210-T213 PolarHBondContact O-N 3.15Å; V210-T213 VanDerWaalsContact O-N 3.09Å; V210-T213 PolarHBondContact O-OG1 2.87Å; V210-D214 PolarHBondContact O-N 2.92Å |
| 211 | L | 94.4 | Very high | 94.1 | Very high | 113 Ų | 113 | 93.6 Ų | 93.6 | 59% | 0.592 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.4 | -35.1 | 177.6 | -71.5 | 170.3 | 0 | 0 | 0 | 112.6 | Q207 L208 F215 | Q207-L211 WeakPolarHBondContact O-CG 3.38Å; Q207-L211 PolarHBondContact O-N 3.18Å; L208-L211 PolarHBondContact O-N 3.4Å; L211-F215 VanDerWaalsContact O-CB 3.3Å; L211-F215 WeakPolarHBondContact O-CB 3.47Å; L211-F215 PolarHBondContact O-N 2.91Å |
| 212 | E | 94.3 | Very high | 94.1 | Very high | 114 Ų | 114 | 92 Ų | 92 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.8 | -42.5 | 173.8 | -175.4 | 171.9 | -165.5 | 0 | 0 | 111.7 | L208 K209 V210 F215 Q216 | L208-E212 WeakPolarHBondContact O-CB 3.36Å; L208-E212 PolarHBondContact O-N 2.94Å; K209-E212 PolarHBondContact O-N 3.37Å; V210-E212 VanDerWaalsContact C-N 3.26Å; V210-E212 PolarHBondContact O-N 2.83Å; E212-F215 PolarHBondContact O-N 2.77Å; E212-Q216 WeakPolarHBondContact O-CB 3.4Å; E212-Q216 VanDerWaalsContact O-CG 3.28Å; E212-Q216 WeakPolarHBondContact O-CG 3.45Å; E212-Q216 PolarHBondContact O-N 3.49Å |
| 213 | T | 94.5 | Very high | 94.2 | Very high | 80 Ų | 80 | 89.7 Ų | 89.7 | 49% | 0.491 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.1 | -38.2 | 173.9 | 49.1 | 0 | 0 | 0 | 0 | 112.8 | K209 V210 Q216 A217 | K209-T213 PolarHBondContact O-N 2.75Å; K209-T213 PolarHBondContact O-OG1 2.98Å; V210-T213 WeakPolarHBondContact CA-OG1 3.47Å; V210-T213 PolarHBondContact O-N 3.15Å; V210-T213 VanDerWaalsContact O-N 3.09Å; V210-T213 PolarHBondContact O-OG1 2.87Å; T213-Q216 PolarHBondContact O-N 3.42Å; T213-A217 WeakPolarHBondContact O-CB 3.27Å; T213-A217 PolarHBondContact O-N 3.08Å |
| 214 | D | 93.2 | Very high | 94.2 | Very high | 92 Ų | 92 | 89.6 Ų | 89.6 | 49% | 0.492 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.1 | -39.9 | 176.2 | -70.3 | -24.2 | 0 | 0 | 0 | 111.2 | V210 A217 A218 | V210-D214 PolarHBondContact O-N 2.92Å; D214-A217 PolarHBondContact O-N 3.39Å; D214-A218 WeakPolarHBondContact O-CB 3.4Å; D214-A218 PolarHBondContact O-N 2.9Å |
| 215 | F | 94.3 | Very high | 94.3 | Very high | 141 Ų | 141 | 91 Ų | 91 | 62% | 0.618 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65 | -40.7 | 173.6 | 179.3 | -103.4 | 0 | 0 | 0 | 112.3 | L211 E212 A218 R219 | L211-F215 VanDerWaalsContact O-CB 3.3Å; L211-F215 WeakPolarHBondContact O-CB 3.47Å; L211-F215 PolarHBondContact O-N 2.91Å; E212-F215 PolarHBondContact O-N 2.77Å; F215-A218 PolarHBondContact O-N 2.98Å; F215-R219 WeakPolarHBondContact O-CB 3.46Å; F215-R219 PolarHBondContact O-N 3.07Å |
| 216 | Q | 95.8 | Very high | 94.4 | Very high | 109 Ų | 109 | 93.5 Ų | 93.5 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 174.1 | -71.5 | 177.9 | 25.4 | 0 | 0 | 111.6 | E212 T213 R219 A220 | E212-Q216 WeakPolarHBondContact O-CB 3.4Å; E212-Q216 VanDerWaalsContact O-CG 3.28Å; E212-Q216 WeakPolarHBondContact O-CG 3.45Å; E212-Q216 PolarHBondContact O-N 3.49Å; T213-Q216 PolarHBondContact O-N 3.42Å; Q216-R219 PolarHBondContact O-N 3.15Å; Q216-A220 PolarHBondContact O-N 3.15Å |
| 217 | A | 94.1 | Very high | 94.4 | Very high | 54 Ų | 54 | 96.3 Ų | 96.3 | 45% | 0.446 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T213 D214 R219 A220 T221 | T213-A217 WeakPolarHBondContact O-CB 3.27Å; T213-A217 PolarHBondContact O-N 3.08Å; D214-A217 PolarHBondContact O-N 3.39Å; A217-R219 VanDerWaalsContact C-N 3.32Å; A217-R219 PolarHBondContact O-N 2.88Å; A217-A220 WeakPolarHBondContact O-CB 3.47Å; A217-A220 PolarHBondContact O-N 2.87Å; A217-A220 VanDerWaalsContact O-N 3.16Å; A217-T221 PolarHBondContact O-N 3.02Å; A217-T221 PolarHBondContact O-OG1 2.91Å |
| 218 | A | 92.9 | Very high | 94.5 | Very high | 49 Ų | 49 | 99.3 Ų | 99.3 | 41% | 0.405 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.9 | -37 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | D214 F215 A220 T221 V222 | D214-A218 WeakPolarHBondContact O-CB 3.4Å; D214-A218 PolarHBondContact O-N 2.9Å; F215-A218 PolarHBondContact O-N 2.98Å; A218-A220 VanDerWaalsContact C-N 3.34Å; A218-T221 PolarHBondContact O-N 3.32Å; A218-T221 PolarHBondContact O-OG1 3.2Å; A218-V222 WeakPolarHBondContact O-CG2 3.39Å; A218-V222 PolarHBondContact O-N 3.48Å |
| 219 | R | 96.4 | Very high | 94.5 | Very high | 184 Ų | 184 | 98.3 Ų | 98.3 | 69% | 0.694 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.5 | -37.5 | 173.3 | -172.7 | 176.7 | -179.8 | -179.4 | 0.6 | 112 | F215 Q216 A217 S223 | F215-R219 WeakPolarHBondContact O-CB 3.46Å; F215-R219 PolarHBondContact O-N 3.07Å; Q216-R219 PolarHBondContact O-N 3.15Å; A217-R219 VanDerWaalsContact C-N 3.32Å; A217-R219 PolarHBondContact O-N 2.88Å; R219-S223 PolarHBondContact O-N 3.01Å |
| 220 | A | 94.9 | Very high | 94.6 | Very high | 56 Ų | 56 | 98.6 Ų | 98.6 | 46% | 0.463 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.8 | -39.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q216 A217 A218 S223 T224 | Q216-A220 PolarHBondContact O-N 3.15Å; A217-A220 WeakPolarHBondContact O-CB 3.47Å; A217-A220 PolarHBondContact O-N 2.87Å; A217-A220 VanDerWaalsContact O-N 3.16Å; A218-A220 VanDerWaalsContact C-N 3.34Å; A220-S223 WeakPolarHBondContact O-CB 3.4Å; A220-S223 PolarHBondContact O-N 2.92Å; A220-T224 PolarHBondContact O-N 3.09Å; A220-T224 VanDerWaalsContact O-N 3.08Å; A220-T224 PolarHBondContact O-OG1 2.91Å |
| 221 | T | 95.2 | Very high | 94.7 | Very high | 78 Ų | 78 | 100 Ų | 100 | 48% | 0.479 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71 | -32.9 | 175.5 | 56.8 | 0 | 0 | 0 | 0 | 112.8 | A217 A218 S223 T224 L225 | A217-T221 PolarHBondContact O-N 3.02Å; A217-T221 PolarHBondContact O-OG1 2.91Å; A218-T221 PolarHBondContact O-N 3.32Å; A218-T221 PolarHBondContact O-OG1 3.2Å; T221-S223 VanDerWaalsContact C-N 3.34Å; T221-T224 PolarHBondContact O-N 3.31Å; T221-T224 PolarHBondContact O-OG1 3.16Å; T221-L225 WeakPolarHBondContact O-CB 3.33Å; T221-L225 VanDerWaalsContact O-CG 3.26Å; T221-L225 WeakPolarHBondContact O-CG 3.48Å; T221-L225 PolarHBondContact O-N 2.93Å |
| 222 | V | 93.6 | Very high | 94.7 | Very high | 76 Ų | 76 | 99.2 Ų | 99.2 | 46% | 0.461 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 169.1 | 168.9 | 0 | 0 | 0 | 0 | 111.2 | A218 L225 Q226 | A218-V222 WeakPolarHBondContact O-CG2 3.39Å; A218-V222 PolarHBondContact O-N 3.48Å; V222-L225 PolarHBondContact O-N 3.39Å; V222-Q226 HydrophobicContact CG1-CG 4.49Å; V222-Q226 WeakPolarHBondContact O-CG 3.42Å; V222-Q226 PolarHBondContact O-N 2.65Å |
| 223 | S | 95.6 | Very high | 94.7 | Very high | 54 Ų | 54 | 100.2 Ų | 100.2 | 38% | 0.378 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.7 | -49.8 | 176 | -163.7 | 0 | 0 | 0 | 0 | 111.8 | R219 A220 T221 L225 Q226 D227 | R219-S223 PolarHBondContact O-N 3.01Å; A220-S223 WeakPolarHBondContact O-CB 3.4Å; A220-S223 PolarHBondContact O-N 2.92Å; T221-S223 VanDerWaalsContact C-N 3.34Å; S223-L225 VanDerWaalsContact C-N 3.26Å; S223-L225 PolarHBondContact O-N 3.05Å; S223-Q226 WeakPolarHBondContact O-CA 3.49Å; S223-Q226 WeakPolarHBondContact O-CB 3.3Å; S223-Q226 PolarHBondContact O-N 3.39Å; S223-D227 PolarHBondContact O-N 3.36Å; S223-D227 VanDerWaalsContact O-OD2 3.12Å |
| 224 | T | 94.6 | Very high | 94.8 | Very high | 87 Ų | 87 | 100.9 Ų | 100.9 | 53% | 0.534 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.2 | -23.8 | -178.8 | 57.5 | 0 | 0 | 0 | 0 | 113.4 | A220 T221 R228 | A220-T224 PolarHBondContact O-N 3.09Å; A220-T224 VanDerWaalsContact O-N 3.08Å; A220-T224 PolarHBondContact O-OG1 2.91Å; T221-T224 PolarHBondContact O-N 3.31Å; T221-T224 PolarHBondContact O-OG1 3.16Å; T224-R228 VanDerWaalsContact O-CB 3.24Å; T224-R228 WeakPolarHBondContact O-CB 3.44Å; T224-R228 PolarHBondContact O-N 3.01Å; T224-R228 VanDerWaalsContact O-N 3.1Å |
| 225 | L | 93.8 | Very high | 95 | Very high | 100 Ų | 100 | 101.7 Ų | 101.7 | 52% | 0.524 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -74.5 | -35.1 | 168.1 | -72.2 | 171.4 | 0 | 0 | 0 | 112.6 | T221 V222 S223 N229 | T221-L225 WeakPolarHBondContact O-CB 3.33Å; T221-L225 VanDerWaalsContact O-CG 3.26Å; T221-L225 WeakPolarHBondContact O-CG 3.48Å; T221-L225 PolarHBondContact O-N 2.93Å; V222-L225 PolarHBondContact O-N 3.39Å; S223-L225 VanDerWaalsContact C-N 3.26Å; S223-L225 PolarHBondContact O-N 3.05Å; L225-N229 WeakPolarHBondContact O-CB 3.27Å; L225-N229 PolarHBondContact O-N 3.03Å; L225-N229 PolarHBondContact O-OD1 2.8Å |
| 226 | Q | 95.1 | Very high | 95 | Very high | 126 Ų | 126 | 100.9 Ų | 100.9 | 59% | 0.589 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66 | -46 | 172.9 | -75.6 | 176.7 | -30.4 | 0 | 0 | 111.4 | V222 S223 R228 N229 K230 | V222-Q226 HydrophobicContact CG1-CG 4.49Å; V222-Q226 WeakPolarHBondContact O-CG 3.42Å; V222-Q226 PolarHBondContact O-N 2.65Å; S223-Q226 WeakPolarHBondContact O-CA 3.49Å; S223-Q226 WeakPolarHBondContact O-CB 3.3Å; S223-Q226 PolarHBondContact O-N 3.39Å; Q226-R228 PolarHBondContact O-N 3.38Å; Q226-N229 PolarHBondContact O-N 2.99Å; Q226-K230 PolarHBondContact O-N 2.68Å |
| 227 | D | 95.3 | Very high | 95 | Very high | 91 Ų | 91 | 100.7 Ų | 100.7 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.4 | -47.5 | 174.9 | -63 | -41.9 | 0 | 0 | 0 | 110.7 | S223 N229 K230 D231 | S223-D227 PolarHBondContact O-N 3.36Å; S223-D227 VanDerWaalsContact O-OD2 3.12Å; D227-N229 PolarHBondContact O-N 2.92Å; D227-K230 WeakPolarHBondContact O-CB 3.3Å; D227-K230 PolarHBondContact O-N 2.88Å; D227-K230 VanDerWaalsContact O-N 3.15Å; D227-D231 PolarHBondContact O-N 3.49Å |
| 228 | R | 95.3 | Very high | 95.1 | Very high | 168 Ų | 168 | 102.5 Ų | 102.5 | 63% | 0.634 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.3 | -32.3 | 178.7 | -173.4 | 176.3 | -177.8 | 124.3 | 2.7 | 114 | T224 Q226 K230 L232 | T224-R228 VanDerWaalsContact O-CB 3.24Å; T224-R228 WeakPolarHBondContact O-CB 3.44Å; T224-R228 PolarHBondContact O-N 3.01Å; T224-R228 VanDerWaalsContact O-N 3.1Å; Q226-R228 PolarHBondContact O-N 3.38Å; R228-K230 VanDerWaalsContact C-N 3.34Å; R228-L232 WeakPolarHBondContact O-CG 3.21Å; R228-L232 PolarHBondContact O-N 2.81Å |
| 229 | N | 93.3 | Very high | 95.2 | Very high | 93 Ų | 93 | 103.6 Ų | 103.6 | 50% | 0.497 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.8 | -39.8 | 172.4 | -78.4 | -5.4 | 0 | 0 | 0 | 110.6 | L225 Q226 D227 L232 E233 | L225-N229 WeakPolarHBondContact O-CB 3.27Å; L225-N229 PolarHBondContact O-N 3.03Å; L225-N229 PolarHBondContact O-OD1 2.8Å; Q226-N229 PolarHBondContact O-N 2.99Å; D227-N229 PolarHBondContact O-N 2.92Å; N229-L232 WeakPolarHBondContact O-CB 3.47Å; N229-L232 PolarHBondContact O-N 2.86Å; N229-L232 VanDerWaalsContact O-N 3.16Å; N229-E233 WeakPolarHBondContact O-CG 3.3Å; N229-E233 PolarHBondContact O-N 3.22Å |
| 230 | K | 96.7 | Very high | 95.2 | Very high | 124 Ų | 124 | 99.4 Ų | 99.4 | 54% | 0.539 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 175.1 | -170.9 | -176 | 174.5 | -170.1 | 0 | 112.2 | Q226 D227 R228 L232 E233 D234 | Q226-K230 PolarHBondContact O-N 2.68Å; D227-K230 WeakPolarHBondContact O-CB 3.3Å; D227-K230 PolarHBondContact O-N 2.88Å; D227-K230 VanDerWaalsContact O-N 3.15Å; R228-K230 VanDerWaalsContact C-N 3.34Å; K230-L232 PolarHBondContact O-N 3.13Å; K230-E233 PolarHBondContact O-N 2.89Å; K230-E233 VanDerWaalsContact O-N 3.13Å; K230-D234 PolarHBondContact O-N 2.7Å |
| 231 | D | 94.9 | Very high | 95.2 | Very high | 110 Ų | 110 | 99.7 Ų | 99.7 | 59% | 0.588 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -55.7 | -36.4 | 172.1 | -68.7 | -27.9 | 0 | 0 | 0 | 111.7 | D227 L235 | D227-D231 PolarHBondContact O-N 3.49Å; D231-L235 VanDerWaalsContact O-CB 3.26Å; D231-L235 WeakPolarHBondContact O-CB 3.4Å; D231-L235 PolarHBondContact O-N 3.39Å |
| 232 | L | 95.4 | Very high | 95.2 | Very high | 97 Ų | 97 | 101.3 Ų | 101.3 | 51% | 0.508 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -75.9 | -34.6 | 177.2 | -71.4 | 168.4 | 0 | 0 | 0 | 113.1 | R228 N229 K230 H236 | R228-L232 WeakPolarHBondContact O-CG 3.21Å; R228-L232 PolarHBondContact O-N 2.81Å; N229-L232 WeakPolarHBondContact O-CB 3.47Å; N229-L232 PolarHBondContact O-N 2.86Å; N229-L232 VanDerWaalsContact O-N 3.16Å; K230-L232 PolarHBondContact O-N 3.13Å; L232-H236 WeakPolarHBondContact O-CB 3.29Å; L232-H236 PolarHBondContact O-N 2.92Å |
| 233 | E | 95.2 | Very high | 95.2 | Very high | 135 Ų | 135 | 101.7 Ų | 101.7 | 63% | 0.631 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.2 | -47.5 | 172.5 | -73 | 172.6 | 176.9 | 0 | 0 | 110.9 | N229 K230 L235 H236 E237 | N229-E233 WeakPolarHBondContact O-CG 3.3Å; N229-E233 PolarHBondContact O-N 3.22Å; K230-E233 PolarHBondContact O-N 2.89Å; K230-E233 VanDerWaalsContact O-N 3.13Å; E233-L235 PolarHBondContact O-N 3.32Å; E233-H236 PolarHBondContact O-N 3.48Å; E233-E237 PolarHBondContact O-N 3.13Å |
| 234 | D | 96.1 | Very high | 95.2 | Very high | 94 Ų | 94 | 102.5 Ų | 102.5 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 175.3 | -75 | -25.4 | 0 | 0 | 0 | 110.9 | K230 H236 E237 V238 | K230-D234 PolarHBondContact O-N 2.7Å; D234-H236 PolarHBondContact O-N 2.65Å; D234-E237 PolarHBondContact O-N 2.88Å; D234-V238 WeakPolarHBondContact O-CG2 3.48Å; D234-V238 PolarHBondContact O-N 2.73Å; D234-V238 VanDerWaalsContact O-N 3.09Å |
| 235 | L | 96.3 | Very high | 95.2 | Very high | 109 Ų | 109 | 103.1 Ų | 103.1 | 57% | 0.571 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.8 | -36.5 | 175.1 | -164.8 | 80 | 0 | 0 | 0 | 112.5 | D231 E233 T239 | D231-L235 VanDerWaalsContact O-CB 3.26Å; D231-L235 WeakPolarHBondContact O-CB 3.4Å; D231-L235 PolarHBondContact O-N 3.39Å; E233-L235 PolarHBondContact O-N 3.32Å; L235-T239 WeakPolarHBondContact O-CB 3.49Å; L235-T239 PolarHBondContact O-N 3.03Å; L235-T239 PolarHBondContact O-OG1 3.13Å |
| 236 | H | 95.3 | Very high | 95.3 | Very high | 125 Ų | 125 | 101.7 Ų | 101.7 | 58% | 0.579 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.2 | -45.4 | 176 | -175.6 | -16.7 | 0 | 0 | 0 | 110.9 | L232 E233 D234 V238 T239 K240 | L232-H236 WeakPolarHBondContact O-CB 3.29Å; L232-H236 PolarHBondContact O-N 2.92Å; E233-H236 PolarHBondContact O-N 3.48Å; D234-H236 PolarHBondContact O-N 2.65Å; H236-V238 VanDerWaalsContact C-N 3.33Å; H236-V238 PolarHBondContact O-N 2.86Å; H236-T239 PolarHBondContact O-N 2.77Å; H236-K240 VanDerWaalsContact O-CB 3.28Å; H236-K240 WeakPolarHBondContact O-CB 3.38Å; H236-K240 PolarHBondContact O-N 3.4Å |
| 237 | E | 96.1 | Very high | 95.2 | Very high | 104 Ų | 104 | 101.3 Ų | 101.3 | 49% | 0.486 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.9 | -36.3 | -178.7 | -163.4 | 65.2 | -164.1 | 0 | 0 | 111.3 | E233 D234 K240 S241 | E233-E237 PolarHBondContact O-N 3.13Å; D234-E237 PolarHBondContact O-N 2.88Å; E237-K240 PolarHBondContact O-N 2.92Å; E237-K240 IonicContact OE1-NZ 2.73Å; E237-K240 PolarHBondContact OE1-NZ 3.09Å; E237-K240 WeakPolarHBondContact OE2-CD 3.47Å; E237-K240 IonicContact OE2-NZ 2.7Å; E237-K240 PolarHBondContact OE2-NZ 2.87Å; E237-S241 PolarHBondContact O-N 3.17Å; E237-S241 PolarHBondContact O-OG 3.47Å |
| 238 | V | 96.1 | Very high | 95.3 | Very high | 93 Ų | 93 | 101.4 Ų | 101.4 | 56% | 0.564 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.5 | -40.5 | 170.2 | 171 | 0 | 0 | 0 | 0 | 112.4 | D234 H236 K240 S241 R242 | D234-V238 WeakPolarHBondContact O-CG2 3.48Å; D234-V238 PolarHBondContact O-N 2.73Å; D234-V238 VanDerWaalsContact O-N 3.09Å; H236-V238 VanDerWaalsContact C-N 3.33Å; H236-V238 PolarHBondContact O-N 2.86Å; V238-K240 VanDerWaalsContact C-N 3.32Å; V238-K240 PolarHBondContact O-N 2.72Å; V238-S241 PolarHBondContact O-OG 3.38Å; V238-R242 WeakPolarHBondContact O-CB 3.44Å; V238-R242 PolarHBondContact O-N 3.23Å |
| 239 | T | 94.3 | Very high | 95.3 | Very high | 71 Ų | 71 | 97.7 Ų | 97.7 | 44% | 0.436 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | 176.2 | -57.5 | 0 | 0 | 0 | 0 | 111 | L235 H236 R242 N243 | L235-T239 WeakPolarHBondContact O-CB 3.49Å; L235-T239 PolarHBondContact O-N 3.03Å; L235-T239 PolarHBondContact O-OG1 3.13Å; H236-T239 PolarHBondContact O-N 2.77Å; T239-R242 PolarHBondContact O-N 3.23Å; T239-N243 VanDerWaalsContact O-CG 3.32Å; T239-N243 PolarHBondContact O-N 3.04Å; T239-N243 PolarHBondContact O-OD1 2.89Å |
| 240 | K | 96.6 | Very high | 95.3 | Very high | 97 Ų | 97 | 97.6 Ų | 97.6 | 42% | 0.422 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.9 | -43.1 | 178 | 176.2 | -160.6 | -180 | -164.6 | 0 | 111.8 | H236 E237 V238 R242 N243 V244 | H236-K240 VanDerWaalsContact O-CB 3.28Å; H236-K240 WeakPolarHBondContact O-CB 3.38Å; H236-K240 PolarHBondContact O-N 3.4Å; E237-K240 PolarHBondContact O-N 2.92Å; E237-K240 IonicContact OE1-NZ 2.73Å; E237-K240 PolarHBondContact OE1-NZ 3.09Å; E237-K240 WeakPolarHBondContact OE2-CD 3.47Å; E237-K240 IonicContact OE2-NZ 2.7Å; E237-K240 PolarHBondContact OE2-NZ 2.87Å; V238-K240 VanDerWaalsContact C-N 3.32Å; V238-K240 PolarHBondContact O-N 2.72Å; K240-R242 VanDerWaalsContact C-N 3.32Å; K240-R242 PolarHBondContact O-N 3.42Å; K240-N243 PolarHBondContact O-N 2.97Å; K240-V244 PolarHBondContact O-N 2.96Å; K240-V244 VanDerWaalsContact O-N 3.09Å |
| 241 | S | 94.4 | Very high | 95.2 | Very high | 61 Ų | 61 | 98.5 Ų | 98.5 | 43% | 0.427 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 173 | 66.6 | 0 | 0 | 0 | 0 | 111.5 | E237 V238 N243 V244 E245 | E237-S241 PolarHBondContact O-N 3.17Å; E237-S241 PolarHBondContact O-OG 3.47Å; V238-S241 PolarHBondContact O-OG 3.38Å; S241-N243 VanDerWaalsContact C-N 3.34Å; S241-N243 PolarHBondContact O-N 3.13Å; S241-V244 PolarHBondContact O-N 3.49Å; S241-E245 WeakPolarHBondContact O-CG 3.48Å; S241-E245 PolarHBondContact O-N 3.21Å |
| 242 | R | 95.4 | Very high | 95.4 | Very high | 112 Ų | 112 | 99.2 Ų | 99.2 | 42% | 0.423 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.6 | -32.8 | 175.5 | -175.3 | 57.2 | -170.8 | 157.7 | 12.2 | 113.1 | V238 T239 K240 E245 L246 E249 | V238-R242 WeakPolarHBondContact O-CB 3.44Å; V238-R242 PolarHBondContact O-N 3.23Å; T239-R242 PolarHBondContact O-N 3.23Å; K240-R242 VanDerWaalsContact C-N 3.32Å; K240-R242 PolarHBondContact O-N 3.42Å; R242-E245 WeakPolarHBondContact CD-OE2 3.35Å; R242-E245 IonicContact CZ-OE2 2.69Å; R242-E245 IonicContact NE-OE2 3.62Å; R242-E245 IonicContact NH1-OE2 2.65Å; R242-E245 PolarHBondContact NH1-OE2 2.98Å; R242-E245 PolarHBondContact O-N 3.34Å; R242-L246 HydrophobicContact CG-CD1 4.44Å; R242-L246 WeakPolarHBondContact O-CG 3.13Å; R242-L246 PolarHBondContact O-N 3.38Å; R242-E249 IonicContact NH2-OE2 3.11Å |
| 243 | N | 93.8 | Very high | 95.3 | Very high | 84 Ų | 84 | 98.1 Ų | 98.1 | 45% | 0.449 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.8 | -44.3 | 171.5 | -72.8 | -12.2 | 0 | 0 | 0 | 111.3 | T239 K240 S241 E245 L246 E247 | T239-N243 VanDerWaalsContact O-CG 3.32Å; T239-N243 PolarHBondContact O-N 3.04Å; T239-N243 PolarHBondContact O-OD1 2.89Å; K240-N243 PolarHBondContact O-N 2.97Å; S241-N243 VanDerWaalsContact C-N 3.34Å; S241-N243 PolarHBondContact O-N 3.13Å; N243-E245 VanDerWaalsContact C-N 3.33Å; N243-E245 PolarHBondContact O-N 2.89Å; N243-L246 CarbonylContact O-C 3.54Å; N243-L246 WeakPolarHBondContact O-CB 3.32Å; N243-L246 PolarHBondContact O-N 2.94Å; N243-L246 VanDerWaalsContact O-N 3.1Å; N243-E247 WeakPolarHBondContact O-CG 3.45Å; N243-E247 PolarHBondContact O-N 2.87Å |
| 244 | V | 96.1 | Very high | 95.3 | Very high | 72 Ų | 72 | 95.6 Ų | 95.6 | 44% | 0.436 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62 | -39.5 | 175.4 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | K240 S241 L246 E247 N248 | K240-V244 PolarHBondContact O-N 2.96Å; K240-V244 VanDerWaalsContact O-N 3.09Å; S241-V244 PolarHBondContact O-N 3.49Å; V244-L246 VanDerWaalsContact C-N 3.35Å; V244-L246 PolarHBondContact O-N 2.97Å; V244-E247 PolarHBondContact O-N 3.42Å; V244-N248 PolarHBondContact O-N 2.99Å; V244-N248 PolarHBondContact O-ND2 2.87Å |
| 245 | E | 95.1 | Very high | 95.2 | Very high | 100 Ų | 100 | 92.5 Ų | 92.5 | 47% | 0.467 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.1 | -45.8 | 171.4 | -71.5 | 173.1 | -178 | 0 | 0 | 111.9 | S241 R242 N243 N248 E249 | S241-E245 WeakPolarHBondContact O-CG 3.48Å; S241-E245 PolarHBondContact O-N 3.21Å; R242-E245 WeakPolarHBondContact CD-OE2 3.35Å; R242-E245 IonicContact CZ-OE2 2.69Å; R242-E245 IonicContact NE-OE2 3.62Å; R242-E245 IonicContact NH1-OE2 2.65Å; R242-E245 PolarHBondContact NH1-OE2 2.98Å; R242-E245 PolarHBondContact O-N 3.34Å; N243-E245 VanDerWaalsContact C-N 3.33Å; N243-E245 PolarHBondContact O-N 2.89Å; E245-N248 PolarHBondContact O-N 2.91Å; E245-E249 VanDerWaalsContact O-CB 3.3Å; E245-E249 WeakPolarHBondContact O-CB 3.46Å; E245-E249 PolarHBondContact O-N 3.03Å |
| 246 | L | 94.3 | Very high | 95.2 | Very high | 69 Ų | 69 | 90.9 Ų | 90.9 | 36% | 0.361 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.9 | -32.9 | 178.3 | -71.9 | 168.9 | 0 | 0 | 0 | 113 | R242 N243 V244 E249 N250 | R242-L246 HydrophobicContact CG-CD1 4.44Å; R242-L246 WeakPolarHBondContact O-CG 3.13Å; R242-L246 PolarHBondContact O-N 3.38Å; N243-L246 CarbonylContact O-C 3.54Å; N243-L246 WeakPolarHBondContact O-CB 3.32Å; N243-L246 PolarHBondContact O-N 2.94Å; N243-L246 VanDerWaalsContact O-N 3.1Å; V244-L246 VanDerWaalsContact C-N 3.35Å; V244-L246 PolarHBondContact O-N 2.97Å; L246-E249 PolarHBondContact O-N 2.85Å; L246-N250 WeakPolarHBondContact O-CB 3.44Å; L246-N250 PolarHBondContact O-N 2.9Å; L246-N250 PolarHBondContact O-ND2 3.41Å |
| 247 | E | 94.5 | Very high | 95.1 | Very high | 119 Ų | 119 | 88.6 Ų | 88.6 | 56% | 0.556 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -65.2 | -50.9 | 173.5 | -74 | 169.3 | 163.4 | 0 | 0 | 110.4 | N243 V244 E249 N250 E251 | N243-E247 WeakPolarHBondContact O-CG 3.45Å; N243-E247 PolarHBondContact O-N 2.87Å; V244-E247 PolarHBondContact O-N 3.42Å; E247-E249 VanDerWaalsContact C-N 3.29Å; E247-E249 PolarHBondContact O-N 3.12Å; E247-N250 WeakPolarHBondContact O-CB 3.48Å; E247-N250 PolarHBondContact O-N 2.83Å; E247-N250 VanDerWaalsContact O-N 3.14Å; E247-E251 PolarHBondContact O-N 3.04Å |
| 248 | N | 95.8 | Very high | 95 | Very high | 92 Ų | 92 | 90 Ų | 90 | 49% | 0.492 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -57.5 | -40.4 | 173.7 | -71.5 | -67.6 | 0 | 0 | 0 | 112.2 | V244 E245 E251 R252 | V244-N248 PolarHBondContact O-N 2.99Å; V244-N248 PolarHBondContact O-ND2 2.87Å; E245-N248 PolarHBondContact O-N 2.91Å; N248-E251 PolarHBondContact O-N 3.43Å; N248-R252 WeakPolarHBondContact O-CB 3.25Å; N248-R252 PolarHBondContact O-N 2.93Å |
| 249 | E | 95.9 | Very high | 94.9 | Very high | 91 Ų | 91 | 91.9 Ų | 91.9 | 43% | 0.425 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.7 | -32.6 | 179.3 | -166 | 158.4 | -131.2 | 0 | 0 | 112 | R242 E245 L246 E247 L253 | R242-E249 IonicContact NH2-OE2 3.11Å; E245-E249 VanDerWaalsContact O-CB 3.3Å; E245-E249 WeakPolarHBondContact O-CB 3.46Å; E245-E249 PolarHBondContact O-N 3.03Å; L246-E249 PolarHBondContact O-N 2.85Å; E247-E249 VanDerWaalsContact C-N 3.29Å; E247-E249 PolarHBondContact O-N 3.12Å; E249-L253 WeakPolarHBondContact O-CB 3.44Å; E249-L253 WeakPolarHBondContact O-CD1 3.49Å; E249-L253 VanDerWaalsContact O-CG 3.27Å; E249-L253 WeakPolarHBondContact O-CG 3.26Å; E249-L253 PolarHBondContact O-N 2.97Å |
| 250 | N | 93 | Very high | 94.8 | Very high | 91 Ų | 91 | 93.3 Ų | 93.3 | 49% | 0.487 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -70.9 | -40.4 | 169.6 | -86.4 | -83.6 | 0 | 0 | 0 | 112.7 | L246 E247 R252 L253 N254 | L246-N250 WeakPolarHBondContact O-CB 3.44Å; L246-N250 PolarHBondContact O-N 2.9Å; L246-N250 PolarHBondContact O-ND2 3.41Å; E247-N250 WeakPolarHBondContact O-CB 3.48Å; E247-N250 PolarHBondContact O-N 2.83Å; E247-N250 VanDerWaalsContact O-N 3.14Å; N250-R252 VanDerWaalsContact C-N 3.32Å; N250-R252 PolarHBondContact O-N 3.02Å; N250-L253 PolarHBondContact O-N 3.16Å; N250-N254 WeakPolarHBondContact O-CB 3.39Å; N250-N254 PolarHBondContact O-N 3.2Å; N250-N254 PolarHBondContact O-ND2 2.96Å |
| 251 | E | 95.6 | Very high | 94.7 | Very high | 142 Ų | 142 | 97 Ų | 97 | 66% | 0.664 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60 | -44.6 | 173.7 | -72.1 | -171.5 | 168.2 | 0 | 0 | 110.9 | E247 N248 N254 G255 | E247-E251 PolarHBondContact O-N 3.04Å; N248-E251 PolarHBondContact O-N 3.43Å; E251-N254 PolarHBondContact O-N 3.25Å; E251-G255 PolarHBondContact O-N 2.67Å |
| 252 | R | 97.1 | Very high | 94.7 | Very high | 126 Ų | 126 | 98.4 Ų | 98.4 | 48% | 0.475 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.9 | -48.6 | 175 | -163.3 | -161.9 | 74 | 69.8 | 18.6 | 112.1 | N248 N250 G255 E256 | N248-R252 WeakPolarHBondContact O-CB 3.25Å; N248-R252 PolarHBondContact O-N 2.93Å; N250-R252 VanDerWaalsContact C-N 3.32Å; N250-R252 PolarHBondContact O-N 3.02Å; R252-G255 PolarHBondContact O-N 3.25Å; R252-E256 IonicContact CZ-OE1 3.57Å; R252-E256 IonicContact CZ-OE2 2.65Å; R252-E256 IonicContact NH1-OE1 3.14Å; R252-E256 PolarHBondContact NH1-OE1 3.38Å; R252-E256 IonicContact NH1-OE2 3.01Å; R252-E256 PolarHBondContact NH1-OE2 3.49Å; R252-E256 IonicContact NH2-OE1 2.68Å; R252-E256 IonicContact NH2-OE2 2.59Å; R252-E256 PolarHBondContact NH2-OE2 3.37Å; R252-E256 PolarHBondContact O-N 3.31Å; R252-E256 VanDerWaalsContact O-N 3.12Å |
| 253 | L | 95.2 | Very high | 94.5 | Very high | 73 Ų | 73 | 98.8 Ų | 98.8 | 38% | 0.382 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64 | -36.8 | 176.1 | -75.3 | 164.5 | 0 | 0 | 0 | 112.6 | E249 N250 G255 E256 I257 | E249-L253 WeakPolarHBondContact O-CB 3.44Å; E249-L253 WeakPolarHBondContact O-CD1 3.49Å; E249-L253 VanDerWaalsContact O-CG 3.27Å; E249-L253 WeakPolarHBondContact O-CG 3.26Å; E249-L253 PolarHBondContact O-N 2.97Å; N250-L253 PolarHBondContact O-N 3.16Å; L253-G255 VanDerWaalsContact C-N 3.3Å; L253-G255 PolarHBondContact O-N 3.06Å; L253-E256 PolarHBondContact O-N 3.05Å; L253-I257 WeakPolarHBondContact O-CB 3.45Å; L253-I257 WeakPolarHBondContact O-CD1 3.45Å; L253-I257 VanDerWaalsContact O-CG1 3.24Å; L253-I257 WeakPolarHBondContact O-CG1 3.42Å; L253-I257 PolarHBondContact O-N 2.97Å |
| 254 | N | 94 | Very high | 94.4 | Very high | 82 Ų | 82 | 99.3 Ų | 99.3 | 44% | 0.439 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.5 | -30.9 | 174.5 | -80.5 | -63.6 | 0 | 0 | 0 | 112.3 | N250 E251 Q258 | N250-N254 WeakPolarHBondContact O-CB 3.39Å; N250-N254 PolarHBondContact O-N 3.2Å; N250-N254 PolarHBondContact O-ND2 2.96Å; E251-N254 PolarHBondContact O-N 3.25Å; N254-Q258 WeakPolarHBondContact O-CG 3.24Å; N254-Q258 PolarHBondContact O-N 3.45Å |
| 255 | G | 95.2 | Very high | 94.3 | Very high | 29 Ų | 29 | 101.8 Ų | 101.8 | 30% | 0.299 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.3 | -54.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E251 R252 L253 I257 Q258 E259 | E251-G255 PolarHBondContact O-N 2.67Å; R252-G255 PolarHBondContact O-N 3.25Å; L253-G255 VanDerWaalsContact C-N 3.3Å; L253-G255 PolarHBondContact O-N 3.06Å; G255-I257 PolarHBondContact O-N 3.35Å; G255-Q258 WeakPolarHBondContact O-CA 3.47Å; G255-Q258 WeakPolarHBondContact O-CB 3.44Å; G255-Q258 PolarHBondContact O-N 3Å; G255-E259 PolarHBondContact O-N 3.1Å |
| 256 | E | 95.8 | Very high | 94.2 | Very high | 76 Ų | 76 | 99.8 Ų | 99.8 | 36% | 0.355 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -56.7 | -37.7 | 176.6 | -66.9 | 175.9 | 145.4 | 0 | 0 | 112 | R252 L253 E259 L260 | R252-E256 IonicContact CZ-OE1 3.57Å; R252-E256 IonicContact CZ-OE2 2.65Å; R252-E256 IonicContact NH1-OE1 3.14Å; R252-E256 PolarHBondContact NH1-OE1 3.38Å; R252-E256 IonicContact NH1-OE2 3.01Å; R252-E256 PolarHBondContact NH1-OE2 3.49Å; R252-E256 IonicContact NH2-OE1 2.68Å; R252-E256 IonicContact NH2-OE2 2.59Å; R252-E256 PolarHBondContact NH2-OE2 3.37Å; R252-E256 PolarHBondContact O-N 3.31Å; R252-E256 VanDerWaalsContact O-N 3.12Å; L253-E256 PolarHBondContact O-N 3.05Å; E256-E259 PolarHBondContact O-N 2.64Å; E256-L260 WeakPolarHBondContact O-CB 3.39Å; E256-L260 VanDerWaalsContact O-CG 3.29Å; E256-L260 WeakPolarHBondContact O-CG 3.32Å; E256-L260 PolarHBondContact O-N 3.49Å |
| 257 | I | 93.4 | Very high | 94.1 | Very high | 76 Ų | 76 | 102 Ų | 102 | 39% | 0.39 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68 | -31.4 | 175 | -71.8 | 165.5 | 0 | 0 | 0 | 112.4 | L253 G255 R261 | L253-I257 WeakPolarHBondContact O-CB 3.45Å; L253-I257 WeakPolarHBondContact O-CD1 3.45Å; L253-I257 VanDerWaalsContact O-CG1 3.24Å; L253-I257 WeakPolarHBondContact O-CG1 3.42Å; L253-I257 PolarHBondContact O-N 2.97Å; G255-I257 PolarHBondContact O-N 3.35Å; I257-R261 WeakPolarHBondContact O-CB 3.29Å; I257-R261 VanDerWaalsContact O-CD 3.24Å; I257-R261 WeakPolarHBondContact O-CD 3.28Å; I257-R261 WeakPolarHBondContact O-CG 3.24Å; I257-R261 PolarHBondContact O-N 2.95Å |
| 258 | Q | 93.2 | Very high | 93.9 | Very high | 135 Ų | 135 | 100.6 Ų | 100.6 | 63% | 0.631 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -73.7 | -42.2 | 174 | -75.2 | 175.7 | 47.4 | 0 | 0 | 111.5 | N254 G255 R261 E262 | N254-Q258 WeakPolarHBondContact O-CG 3.24Å; N254-Q258 PolarHBondContact O-N 3.45Å; G255-Q258 WeakPolarHBondContact O-CA 3.47Å; G255-Q258 WeakPolarHBondContact O-CB 3.44Å; G255-Q258 PolarHBondContact O-N 3Å; Q258-R261 WeakPolarHBondContact O-CB 3.43Å; Q258-R261 PolarHBondContact O-N 3.19Å; Q258-R261 VanDerWaalsContact O-N 3.16Å; Q258-E262 PolarHBondContact O-N 2.95Å |
| 259 | E | 94 | Very high | 93.6 | Very high | 132 Ų | 132 | 101.9 Ų | 101.9 | 62% | 0.617 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.7 | -49 | 174.9 | -68 | 176.4 | 165.1 | 0 | 0 | 111.1 | G255 E256 R261 E262 E263 | G255-E259 PolarHBondContact O-N 3.1Å; E256-E259 PolarHBondContact O-N 2.64Å; E259-R261 PolarHBondContact O-N 2.74Å; E259-E262 WeakPolarHBondContact O-CA 3.35Å; E259-E262 VanDerWaalsContact O-CB 3.32Å; E259-E262 WeakPolarHBondContact O-CB 3.45Å; E259-E262 PolarHBondContact O-N 3.05Å; E259-E263 PolarHBondContact O-N 3.16Å |
| 260 | L | 92.8 | Very high | 93.4 | Very high | 101 Ų | 101 | 105.5 Ų | 105.5 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -29 | 175.5 | -71 | 169.1 | 0 | 0 | 0 | 113.3 | E256 V264 | E256-L260 WeakPolarHBondContact O-CB 3.39Å; E256-L260 VanDerWaalsContact O-CG 3.29Å; E256-L260 WeakPolarHBondContact O-CG 3.32Å; E256-L260 PolarHBondContact O-N 3.49Å; L260-V264 WeakPolarHBondContact O-CB 3.49Å; L260-V264 VanDerWaalsContact O-CG2 3.25Å; L260-V264 WeakPolarHBondContact O-CG2 3.45Å; L260-V264 PolarHBondContact O-N 3.37Å |
| 261 | R | 94.7 | Very high | 93.2 | Very high | 173 Ų | 173 | 105.7 Ų | 105.7 | 65% | 0.653 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -74.5 | -31.9 | 173.4 | -75.9 | 165.7 | -175.5 | -93.9 | 4.2 | 112.4 | I257 Q258 E259 R265 | I257-R261 WeakPolarHBondContact O-CB 3.29Å; I257-R261 VanDerWaalsContact O-CD 3.24Å; I257-R261 WeakPolarHBondContact O-CD 3.28Å; I257-R261 WeakPolarHBondContact O-CG 3.24Å; I257-R261 PolarHBondContact O-N 2.95Å; Q258-R261 WeakPolarHBondContact O-CB 3.43Å; Q258-R261 PolarHBondContact O-N 3.19Å; Q258-R261 VanDerWaalsContact O-N 3.16Å; E259-R261 PolarHBondContact O-N 2.74Å; R261-R265 PolarHBondContact O-N 2.83Å |
| 262 | E | 92.8 | Very high | 92.7 | Very high | 91 Ų | 91 | 102.5 Ų | 102.5 | 43% | 0.425 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.8 | -47.7 | 171.1 | -165.1 | 66.7 | -101.2 | 0 | 0 | 110.3 | Q258 E259 V264 R265 V266 | Q258-E262 PolarHBondContact O-N 2.95Å; E259-E262 WeakPolarHBondContact O-CA 3.35Å; E259-E262 VanDerWaalsContact O-CB 3.32Å; E259-E262 WeakPolarHBondContact O-CB 3.45Å; E259-E262 PolarHBondContact O-N 3.05Å; E262-V264 VanDerWaalsContact C-N 3.35Å; E262-V264 PolarHBondContact O-N 3.03Å; E262-R265 WeakPolarHBondContact O-CB 3.41Å; E262-R265 PolarHBondContact O-N 3.26Å; E262-R265 VanDerWaalsContact O-N 3.13Å; E262-R265 IonicContact OE1-CZ 2.65Å; E262-R265 IonicContact OE1-NE 2.99Å; E262-R265 PolarHBondContact OE1-NE 2.92Å; E262-R265 IonicContact OE1-NH2 3.19Å; E262-R265 PolarHBondContact OE1-NH2 3.47Å; E262-R265 IonicContact OE2-CZ 2.91Å; E262-R265 IonicContact OE2-NH2 3.74Å; E262-R265 PolarHBondContact OE2-NH2 2.78Å; E262-V266 WeakPolarHBondContact O-CG2 3.49Å; E262-V266 PolarHBondContact O-N 2.66Å |
| 263 | E | 93.1 | Very high | 92.2 | Very high | 120 Ų | 120 | 98.5 Ų | 98.5 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -58.1 | -44.6 | 175.1 | -68.6 | -171.5 | 162.1 | 0 | 0 | 112.1 | E259 R265 V266 L267 | E259-E263 PolarHBondContact O-N 3.16Å; E263-R265 PolarHBondContact O-N 3.01Å; E263-V266 PolarHBondContact O-N 3.1Å; E263-L267 WeakPolarHBondContact O-CB 3.41Å; E263-L267 VanDerWaalsContact O-CG 3.27Å; E263-L267 WeakPolarHBondContact O-CG 3.42Å; E263-L267 PolarHBondContact O-N 2.86Å |
| 264 | V | 90.7 | Very high | 91.7 | Very high | 96 Ų | 96 | 97 Ų | 97 | 58% | 0.582 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.4 | -36.7 | 175.9 | 167.8 | 0 | 0 | 0 | 0 | 112.2 | L260 E262 Q268 | L260-V264 WeakPolarHBondContact O-CB 3.49Å; L260-V264 VanDerWaalsContact O-CG2 3.25Å; L260-V264 WeakPolarHBondContact O-CG2 3.45Å; L260-V264 PolarHBondContact O-N 3.37Å; E262-V264 VanDerWaalsContact C-N 3.35Å; E262-V264 PolarHBondContact O-N 3.03Å; V264-Q268 WeakPolarHBondContact O-CB 3.44Å; V264-Q268 PolarHBondContact O-N 2.96Å |
| 265 | R | 94.9 | Very high | 91.2 | Very high | 123 Ų | 123 | 96.7 Ų | 96.7 | 46% | 0.464 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.5 | -49.8 | 172.3 | 161 | 165.1 | 50.3 | -122.2 | 2 | 111.3 | R261 E262 E263 L267 Q268 E269 | R261-R265 PolarHBondContact O-N 2.83Å; E262-R265 WeakPolarHBondContact O-CB 3.41Å; E262-R265 PolarHBondContact O-N 3.26Å; E262-R265 VanDerWaalsContact O-N 3.13Å; E262-R265 IonicContact OE1-CZ 2.65Å; E262-R265 IonicContact OE1-NE 2.99Å; E262-R265 PolarHBondContact OE1-NE 2.92Å; E262-R265 IonicContact OE1-NH2 3.19Å; E262-R265 PolarHBondContact OE1-NH2 3.47Å; E262-R265 IonicContact OE2-CZ 2.91Å; E262-R265 IonicContact OE2-NH2 3.74Å; E262-R265 PolarHBondContact OE2-NH2 2.78Å; E263-R265 PolarHBondContact O-N 3.01Å; R265-L267 VanDerWaalsContact C-N 3.31Å; R265-L267 PolarHBondContact O-N 3.2Å; R265-Q268 WeakPolarHBondContact O-CB 3.44Å; R265-Q268 PolarHBondContact O-N 3.38Å; R265-Q268 VanDerWaalsContact O-N 3.09Å; R265-E269 VanDerWaalsContact CG-OE1 3.29Å; R265-E269 WeakPolarHBondContact CG-OE1 3.44Å; R265-E269 WeakPolarHBondContact O-CG 3.27Å; R265-E269 PolarHBondContact O-N 3.12Å |
| 266 | V | 92.4 | Very high | 90.7 | Very high | 59 Ų | 59 | 101.9 Ų | 101.9 | 36% | 0.358 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 179.4 | 171 | 0 | 0 | 0 | 0 | 111.2 | E262 E263 E269 Y270 | E262-V266 WeakPolarHBondContact O-CG2 3.49Å; E262-V266 PolarHBondContact O-N 2.66Å; E263-V266 PolarHBondContact O-N 3.1Å; V266-E269 PolarHBondContact O-N 2.92Å; V266-Y270 HydrophobicContact CG1-CD2 3.95Å; V266-Y270 HydrophobicContact CG1-CE2 3.6Å; V266-Y270 WeakPolarHBondContact O-CD2 3.49Å; V266-Y270 PolarHBondContact O-N 3.24Å; V266-Y270 VanDerWaalsContact O-N 3.08Å |
| 267 | L | 92.2 | Very high | 90.1 | Very high | 114 Ų | 114 | 104.2 Ų | 104.2 | 60% | 0.597 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.3 | -34.7 | 174 | -71.8 | 170.9 | 0 | 0 | 0 | 112.9 | E263 R265 Y270 L271 | E263-L267 WeakPolarHBondContact O-CB 3.41Å; E263-L267 VanDerWaalsContact O-CG 3.27Å; E263-L267 WeakPolarHBondContact O-CG 3.42Å; E263-L267 PolarHBondContact O-N 2.86Å; R265-L267 VanDerWaalsContact C-N 3.31Å; R265-L267 PolarHBondContact O-N 3.2Å; L267-Y270 PolarHBondContact O-N 3.49Å; L267-L271 WeakPolarHBondContact O-CB 3.09Å; L267-L271 PolarHBondContact O-N 2.96Å |
| 268 | Q | 91 | Very high | 89.3 | Confident | 91 Ų | 91 | 104.3 Ų | 104.3 | 43% | 0.425 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.2 | -42.7 | 173.9 | -175.3 | 62.5 | 49.1 | 0 | 0 | 111.3 | V264 R265 Y270 L271 D272 | V264-Q268 WeakPolarHBondContact O-CB 3.44Å; V264-Q268 PolarHBondContact O-N 2.96Å; R265-Q268 WeakPolarHBondContact O-CB 3.44Å; R265-Q268 PolarHBondContact O-N 3.38Å; R265-Q268 VanDerWaalsContact O-N 3.09Å; Q268-Y270 VanDerWaalsContact C-N 3.33Å; Q268-Y270 PolarHBondContact O-N 3.2Å; Q268-L271 WeakPolarHBondContact O-CB 3.38Å; Q268-L271 PolarHBondContact O-N 3.05Å; Q268-L271 VanDerWaalsContact O-N 3.07Å; Q268-D272 PolarHBondContact NE2-OD1 2.99Å; Q268-D272 PolarHBondContact NE2-OD2 3.45Å; Q268-D272 PolarHBondContact O-N 2.61Å |
| 269 | E | 88.9 | Confident | 88.5 | Confident | 118 Ų | 118 | 103.8 Ų | 103.8 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.7 | -41.5 | 174.5 | -70.7 | 170.5 | -163.6 | 0 | 0 | 111.9 | R265 V266 A273 | R265-E269 VanDerWaalsContact CG-OE1 3.29Å; R265-E269 WeakPolarHBondContact CG-OE1 3.44Å; R265-E269 WeakPolarHBondContact O-CG 3.27Å; R265-E269 PolarHBondContact O-N 3.12Å; V266-E269 PolarHBondContact O-N 2.92Å; E269-A273 WeakPolarHBondContact O-CB 3.45Å; E269-A273 PolarHBondContact O-N 3.3Å |
| 270 | Y | 91 | Very high | 87.6 | Confident | 168 Ų | 168 | 102 Ų | 102 | 66% | 0.659 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.3 | -38.1 | 171.4 | -77.9 | -61.8 | 0 | 0 | 0 | 113.2 | V266 L267 Q268 A274 | V266-Y270 HydrophobicContact CG1-CD2 3.95Å; V266-Y270 HydrophobicContact CG1-CE2 3.6Å; V266-Y270 WeakPolarHBondContact O-CD2 3.49Å; V266-Y270 PolarHBondContact O-N 3.24Å; V266-Y270 VanDerWaalsContact O-N 3.08Å; L267-Y270 PolarHBondContact O-N 3.49Å; Q268-Y270 VanDerWaalsContact C-N 3.33Å; Q268-Y270 PolarHBondContact O-N 3.2Å; Y270-A274 WeakPolarHBondContact O-CB 3.35Å; Y270-A274 PolarHBondContact O-N 2.91Å; Y270-A274 VanDerWaalsContact O-N 3.15Å |
| 271 | L | 88.4 | Confident | 86.7 | Confident | 95 Ų | 95 | 101.9 Ų | 101.9 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.1 | -43.9 | 178.3 | -166.5 | 82 | 0 | 0 | 0 | 111.2 | L267 Q268 A274 N275 | L267-L271 WeakPolarHBondContact O-CB 3.09Å; L267-L271 PolarHBondContact O-N 2.96Å; Q268-L271 WeakPolarHBondContact O-CB 3.38Å; Q268-L271 PolarHBondContact O-N 3.05Å; Q268-L271 VanDerWaalsContact O-N 3.07Å; L271-A274 WeakPolarHBondContact O-CB 3.46Å; L271-A274 PolarHBondContact O-N 3.38Å; L271-N275 PolarHBondContact O-N 2.84Å; L271-N275 PolarHBondContact O-ND2 2.94Å; L271-N275 VanDerWaalsContact O-ND2 3.15Å |
| 272 | D | 86.3 | Confident | 85.8 | Confident | 74 Ų | 74 | 101.6 Ų | 101.6 | 40% | 0.396 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.7 | -40.4 | -177.8 | -67.6 | -29.5 | 0 | 0 | 0 | 111.4 | Q268 A274 N275 E276 | Q268-D272 PolarHBondContact NE2-OD1 2.99Å; Q268-D272 PolarHBondContact NE2-OD2 3.45Å; Q268-D272 PolarHBondContact O-N 2.61Å; D272-A274 PolarHBondContact O-N 2.9Å; D272-N275 WeakPolarHBondContact O-CB 3.49Å; D272-N275 PolarHBondContact O-N 3.44Å; D272-E276 PolarHBondContact O-N 3.01Å |
| 273 | A | 86.4 | Confident | 84.1 | Confident | 43 Ų | 43 | 101.4 Ų | 101.4 | 36% | 0.355 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.3 | -29 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | E269 Q277 | E269-A273 WeakPolarHBondContact O-CB 3.45Å; E269-A273 PolarHBondContact O-N 3.3Å; A273-Q277 WeakPolarHBondContact O-CG 3.42Å; A273-Q277 PolarHBondContact O-NE2 2.91Å |
| 274 | A | 84.3 | Confident | 82.6 | Confident | 40 Ų | 40 | 100.5 Ų | 100.5 | 33% | 0.331 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -77.7 | -34.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y270 L271 D272 Q277 I278 | Y270-A274 WeakPolarHBondContact O-CB 3.35Å; Y270-A274 PolarHBondContact O-N 2.91Å; Y270-A274 VanDerWaalsContact O-N 3.15Å; L271-A274 WeakPolarHBondContact O-CB 3.46Å; L271-A274 PolarHBondContact O-N 3.38Å; D272-A274 PolarHBondContact O-N 2.9Å; A274-Q277 PolarHBondContact O-N 2.69Å; A274-I278 WeakPolarHBondContact O-CG1 3.47Å; A274-I278 PolarHBondContact O-N 3.41Å; A274-I278 VanDerWaalsContact O-N 3.08Å |
| 275 | N | 84.8 | Confident | 80.9 | Confident | 76 Ų | 76 | 101.3 Ų | 101.3 | 41% | 0.406 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.3 | -40.1 | 174.7 | -73.5 | -41.7 | 0 | 0 | 0 | 111.9 | L271 D272 I278 Q279 | L271-N275 PolarHBondContact O-N 2.84Å; L271-N275 PolarHBondContact O-ND2 2.94Å; L271-N275 VanDerWaalsContact O-ND2 3.15Å; D272-N275 WeakPolarHBondContact O-CB 3.49Å; D272-N275 PolarHBondContact O-N 3.44Å; N275-I278 PolarHBondContact O-N 3.09Å; N275-Q279 PolarHBondContact O-N 3.06Å |
| 276 | E | 84.6 | Confident | 78.8 | Confident | 139 Ų | 139 | 101.6 Ų | 101.6 | 65% | 0.65 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.7 | -47.7 | 173.4 | -71 | -173.3 | 151.2 | 0 | 0 | 111.5 | D272 I278 Q279 D280 | D272-E276 PolarHBondContact O-N 3.01Å; E276-I278 VanDerWaalsContact C-N 3.3Å; E276-I278 PolarHBondContact O-N 2.91Å; E276-Q279 WeakPolarHBondContact O-CA 3.44Å; E276-Q279 WeakPolarHBondContact O-CB 3.49Å; E276-Q279 PolarHBondContact O-N 2.97Å; E276-D280 PolarHBondContact O-N 3.19Å |
| 277 | Q | 82.1 | Confident | 76.5 | Confident | 124 Ų | 124 | 106.3 Ų | 106.3 | 58% | 0.579 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.3 | -37.5 | 176.3 | -69.1 | 168 | 54.5 | 0 | 0 | 112.7 | A273 A274 Q279 L281 | A273-Q277 WeakPolarHBondContact O-CG 3.42Å; A273-Q277 PolarHBondContact O-NE2 2.91Å; A274-Q277 PolarHBondContact O-N 2.69Å; Q277-Q279 VanDerWaalsContact C-N 3.3Å; Q277-L281 WeakPolarHBondContact O-CB 3.47Å; Q277-L281 VanDerWaalsContact O-CG 3.29Å; Q277-L281 WeakPolarHBondContact O-CG 3.37Å; Q277-L281 PolarHBondContact O-N 3.37Å; Q277-L281 VanDerWaalsContact O-N 3.1Å |
| 278 | I | 77.6 | Confident | 74.2 | Confident | 78 Ų | 78 | 111.1 Ų | 111.1 | 40% | 0.4 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.6 | -34 | 173.7 | -70.1 | 165.6 | 0 | 0 | 0 | 111 | A274 N275 E276 R282 | A274-I278 WeakPolarHBondContact O-CG1 3.47Å; A274-I278 PolarHBondContact O-N 3.41Å; A274-I278 VanDerWaalsContact O-N 3.08Å; N275-I278 PolarHBondContact O-N 3.09Å; E276-I278 VanDerWaalsContact C-N 3.3Å; E276-I278 PolarHBondContact O-N 2.91Å; I278-R282 VanDerWaalsContact O-CG 3.27Å; I278-R282 WeakPolarHBondContact O-CG 3.47Å; I278-R282 PolarHBondContact O-N 3.27Å |
| 279 | Q | 75.9 | Confident | 71.7 | Confident | 125 Ų | 125 | 111.8 Ų | 111.8 | 58% | 0.584 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -73.7 | -40.4 | 178.8 | -168.6 | 156.6 | -48.9 | 0 | 0 | 112.2 | N275 E276 Q277 R282 L283 | N275-Q279 PolarHBondContact O-N 3.06Å; E276-Q279 WeakPolarHBondContact O-CA 3.44Å; E276-Q279 WeakPolarHBondContact O-CB 3.49Å; E276-Q279 PolarHBondContact O-N 2.97Å; Q277-Q279 VanDerWaalsContact C-N 3.3Å; Q279-R282 WeakPolarHBondContact O-CB 3.41Å; Q279-R282 PolarHBondContact O-N 2.93Å; Q279-L283 WeakPolarHBondContact O-CG 3.39Å; Q279-L283 PolarHBondContact O-N 3.23Å |
| 280 | D | 75.3 | Confident | 69.2 | Low | 94 Ų | 94 | 114.6 Ų | 114.6 | 50% | 0.503 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.6 | -43.9 | 171.3 | -77.2 | -16.2 | 0 | 0 | 0 | 112 | E276 R282 L283 Q284 | E276-D280 PolarHBondContact O-N 3.19Å; D280-R282 VanDerWaalsContact C-N 3.3Å; D280-R282 PolarHBondContact O-N 2.83Å; D280-L283 PolarHBondContact O-N 2.86Å; D280-Q284 WeakPolarHBondContact O-CG 3.29Å; D280-Q284 PolarHBondContact O-N 3.5Å |
| 281 | L | 74.1 | Confident | 66.3 | Low | 98 Ų | 98 | 115.6 Ų | 115.6 | 51% | 0.513 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64 | -34.2 | 175.4 | -72.6 | 170 | 0 | 0 | 0 | 112.4 | Q277 I285 | Q277-L281 WeakPolarHBondContact O-CB 3.47Å; Q277-L281 VanDerWaalsContact O-CG 3.29Å; Q277-L281 WeakPolarHBondContact O-CG 3.37Å; Q277-L281 PolarHBondContact O-N 3.37Å; Q277-L281 VanDerWaalsContact O-N 3.1Å; L281-I285 WeakPolarHBondContact O-CD1 3.48Å; L281-I285 VanDerWaalsContact O-CG1 3.29Å; L281-I285 WeakPolarHBondContact O-CG1 3.24Å; L281-I285 PolarHBondContact O-N 3.4Å; L281-I285 VanDerWaalsContact O-N 3.14Å |
| 282 | R | 74.5 | Confident | 63.4 | Low | 167 Ų | 167 | 118.9 Ų | 118.9 | 63% | 0.63 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.4 | -41.6 | 173.1 | -76.5 | 167.9 | 178.4 | 176.8 | 2.2 | 111.9 | I278 Q279 D280 I285 Q286 | I278-R282 VanDerWaalsContact O-CG 3.27Å; I278-R282 WeakPolarHBondContact O-CG 3.47Å; I278-R282 PolarHBondContact O-N 3.27Å; Q279-R282 WeakPolarHBondContact O-CB 3.41Å; Q279-R282 PolarHBondContact O-N 2.93Å; D280-R282 VanDerWaalsContact C-N 3.3Å; D280-R282 PolarHBondContact O-N 2.83Å; R282-I285 PolarHBondContact O-N 3.17Å; R282-Q286 WeakPolarHBondContact O-CB 3.48Å; R282-Q286 PolarHBondContact O-N 2.95Å |
| 283 | L | 57.9 | Low | 60.6 | Low | 88 Ų | 88 | 122.3 Ų | 122.3 | 46% | 0.461 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61.3 | -45.4 | 175.1 | -71.1 | 166.5 | 0 | 0 | 0 | 111.3 | Q279 D280 I285 Q286 E287 | Q279-L283 WeakPolarHBondContact O-CG 3.39Å; Q279-L283 PolarHBondContact O-N 3.23Å; D280-L283 PolarHBondContact O-N 2.86Å; L283-I285 VanDerWaalsContact C-N 3.26Å; L283-I285 PolarHBondContact O-N 3.38Å; L283-Q286 WeakPolarHBondContact O-CB 3.19Å; L283-Q286 PolarHBondContact O-N 2.8Å; L283-E287 PolarHBondContact O-N 3.02Å |
| 284 | Q | 61.7 | Low | 57.9 | Low | 101 Ų | 101 | 127.4 Ų | 127.4 | 47% | 0.472 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -63.2 | -27.9 | 176.1 | -68.5 | 176.7 | 24.4 | 0 | 0 | 113.9 | D280 R288 | D280-Q284 WeakPolarHBondContact O-CG 3.29Å; D280-Q284 PolarHBondContact O-N 3.5Å; Q284-R288 WeakPolarHBondContact O-CG 3.4Å |
| 285 | I | 54.5 | Low | 55.1 | Low | 112 Ų | 112 | 128.9 Ų | 128.9 | 57% | 0.574 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -76.1 | -38 | 172.6 | -70.4 | 164.9 | 0 | 0 | 0 | 110.8 | L281 R282 L283 R288 T289 | L281-I285 WeakPolarHBondContact O-CD1 3.48Å; L281-I285 VanDerWaalsContact O-CG1 3.29Å; L281-I285 WeakPolarHBondContact O-CG1 3.24Å; L281-I285 PolarHBondContact O-N 3.4Å; L281-I285 VanDerWaalsContact O-N 3.14Å; R282-I285 PolarHBondContact O-N 3.17Å; L283-I285 VanDerWaalsContact C-N 3.26Å; L283-I285 PolarHBondContact O-N 3.38Å; I285-R288 PolarHBondContact O-N 2.81Å; I285-T289 PolarHBondContact O-OG1 3.3Å |
| 286 | Q | 50.2 | Low | 52.6 | Low | 130 Ų | 130 | 130 Ų | 130 | 61% | 0.607 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -69 | -33.2 | 178.5 | -165.6 | 168.1 | 2.3 | 0 | 0 | 112.7 | R282 L283 R288 T289 | R282-Q286 WeakPolarHBondContact O-CB 3.48Å; R282-Q286 PolarHBondContact O-N 2.95Å; L283-Q286 WeakPolarHBondContact O-CB 3.19Å; L283-Q286 PolarHBondContact O-N 2.8Å; Q286-R288 VanDerWaalsContact C-N 3.34Å; Q286-T289 PolarHBondContact O-OG1 2.72Å |
| 287 | E | 45.1 | Very low | 50.4 | Low | 157 Ų | 157 | 132.4 Ų | 132.4 | 73% | 0.734 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -69.5 | -28.4 | 171.4 | -70.2 | -178.8 | 153.4 | 0 | 0 | 113 | L283 T289 | L283-E287 PolarHBondContact O-N 3.02Å; E287-T289 VanDerWaalsContact C-N 3.31Å; E287-T289 PolarHBondContact O-N 3.45Å |
| 288 | R | 43 | Very low | 48.3 | Very low | 216 Ų | 216 | 128.5 Ų | 128.5 | 82% | 0.815 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 6.1 | -178.8 | -77.5 | -179.5 | 174.4 | -179.6 | 1.8 | 115 | Q284 I285 Q286 | Q284-R288 WeakPolarHBondContact O-CG 3.4Å; I285-R288 PolarHBondContact O-N 2.81Å; Q286-R288 VanDerWaalsContact C-N 3.34Å |
| 289 | T | 39.9 | Very low | 47 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 64% | 0.644 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.5 | 30.9 | -172.3 | 40.3 | 0 | 0 | 0 | 0 | 113.8 | I285 Q286 E287 | I285-T289 PolarHBondContact O-OG1 3.3Å; Q286-T289 PolarHBondContact O-OG1 2.72Å; E287-T289 VanDerWaalsContact C-N 3.31Å; E287-T289 PolarHBondContact O-N 3.45Å |
| 290 | Q | 34.9 | Very low | 45.6 | Very low | 176 Ų | 176 | 135.1 Ų | 135.1 | 82% | 0.822 | 69% | 0.693 | S | S | * | * | trans | -116.3 | 52.5 | 173.1 | -66.7 | -164.8 | 0.8 | 0 | 0 | 113.4 | ||||
| 291 | E | 30.3 | Very low | 44.3 | Very low | 190 Ų | 190 | 137.2 Ų | 137.2 | 89% | 0.888 | 70% | 0.703 | S | S | * | * | trans | -142.6 | 155.8 | 168.7 | -114.2 | 163.7 | -158.5 | 0 | 0 | 111.8 | ||||
| 292 | D | 27.4 | Very low | 43.3 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 87% | 0.872 | 71% | 0.706 | S | S | * | * | trans | 61.8 | 102.6 | -178.3 | -71.5 | -15.7 | 0 | 0 | 0 | 120 | ||||
| 293 | V | 28.8 | Very low | 42.4 | Very low | 146 Ų | 146 | 139.6 Ų | 139.6 | 89% | 0.885 | 71% | 0.709 | S | S | * | * | trans | -130.8 | 137.7 | 161.8 | 172.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 294 | V | 28.9 | Very low | 42.2 | Very low | 151 Ų | 151 | 141.1 Ų | 141.1 | 92% | 0.915 | 72% | 0.717 | S | S | * | * | trans | 154.3 | 140.4 | 157.5 | 151.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 295 | G | 26.3 | Very low | 42 | Very low | 71 Ų | 71 | 142 Ų | 142 | 73% | 0.732 | 72% | 0.721 | S | S | * | * | cis | 172 | -175.3 | -0.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 296 | S | 31.4 | Very low | 42.3 | Very low | 99 Ų | 99 | 139.5 Ų | 139.5 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | cis | -164.2 | 174.6 | -12.4 | 65.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 297 | K | 38.8 | Very low | 43 | Very low | 190 Ų | 190 | 138.9 Ų | 138.9 | 83% | 0.826 | 71% | 0.708 | S | S | * | * | trans | 69.3 | 89.2 | 166 | -60.8 | 163.5 | -174.4 | 171.6 | 0 | 117.8 | ||||
| 298 | G | 38.2 | Very low | 43.9 | Very low | 41 Ų | 41 | 137.1 Ų | 137.1 | 42% | 0.423 | 70% | 0.703 | S | S | . | * | trans | -151 | 21.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K300 L301 | G298-K300 VanDerWaalsContact C-N 3.25Å; G298-K300 PolarHBondContact O-N 2.69Å; G298-L301 PolarHBondContact O-N 2.97Å | ||
| 299 | E | 49.9 | Very low | 45.2 | Very low | 150 Ų | 150 | 133.2 Ų | 133.2 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 13.6 | -147.4 | -57 | 176.6 | 139.5 | 0 | 0 | 116.7 | ||
| 300 | K | 47 | Very low | 46.7 | Very low | 192 Ų | 192 | 134.7 Ų | 134.7 | 84% | 0.835 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | -16.4 | 179.6 | -68.8 | -171.5 | 177.8 | -178.4 | 0 | 115.5 | G298 | G298-K300 VanDerWaalsContact C-N 3.25Å; G298-K300 PolarHBondContact O-N 2.69Å |
| 301 | L | 47.2 | Very low | 48.5 | Very low | 138 Ų | 138 | 136 Ų | 136 | 72% | 0.723 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -45.6 | 164.7 | -89.8 | 162.5 | 0 | 0 | 0 | 110.6 | G298 R303 L304 E305 | G298-L301 PolarHBondContact O-N 2.97Å; L301-R303 PolarHBondContact O-N 3.05Å; L301-L304 PolarHBondContact O-N 2.82Å; L301-E305 PolarHBondContact O-N 3.49Å |
| 302 | K | 54 | Low | 50.6 | Low | 133 Ų | 133 | 130.6 Ų | 130.6 | 58% | 0.578 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -50.3 | -27.9 | -177.2 | -72.3 | -161.8 | 171.7 | -160.3 | 0 | 115.6 | E305 T306 | K302-E305 PolarHBondContact O-N 3.22Å; K302-T306 WeakPolarHBondContact O-CB 3.33Å; K302-T306 WeakPolarHBondContact O-CG2 3.5Å; K302-T306 PolarHBondContact O-N 2.88Å; K302-T306 PolarHBondContact O-OG1 3.2Å |
| 303 | R | 55.8 | Low | 53 | Low | 183 Ų | 183 | 124.5 Ų | 124.5 | 69% | 0.691 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -68.4 | -45.7 | -177.9 | -64.8 | -171.4 | -176.5 | -144.8 | -3.9 | 112.7 | L301 E305 T306 E307 | L301-R303 PolarHBondContact O-N 3.05Å; R303-E305 VanDerWaalsContact C-N 3.33Å; R303-T306 WeakPolarHBondContact CA-OG1 3.39Å; R303-T306 PolarHBondContact O-N 3.38Å; R303-T306 PolarHBondContact O-OG1 3.33Å; R303-E307 WeakPolarHBondContact O-CG 3.27Å; R303-E307 PolarHBondContact O-N 2.88Å |
| 304 | L | 53.7 | Low | 55.4 | Low | 120 Ų | 120 | 120 Ų | 120 | 63% | 0.628 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.6 | -34 | 175.7 | -68.9 | 171 | 0 | 0 | 0 | 111.1 | L301 E307 L308 | L301-L304 PolarHBondContact O-N 2.82Å; L304-E307 PolarHBondContact O-N 3.36Å; L304-L308 PolarHBondContact O-N 3.34Å |
| 305 | E | 56.3 | Low | 57.7 | Low | 118 Ų | 118 | 118.4 Ų | 118.4 | 55% | 0.551 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -60.5 | -49.4 | 173.2 | -148 | 158.8 | -140 | 0 | 0 | 110.7 | L301 K302 R303 E307 L308 E309 | L301-E305 PolarHBondContact O-N 3.49Å; K302-E305 PolarHBondContact O-N 3.22Å; R303-E305 VanDerWaalsContact C-N 3.33Å; E305-E307 PolarHBondContact O-N 3.22Å; E305-L308 PolarHBondContact O-N 2.96Å; E305-E309 WeakPolarHBondContact O-CB 3.46Å; E305-E309 PolarHBondContact O-N 2.89Å |
| 306 | T | 62.4 | Low | 60.4 | Low | 61 Ų | 61 | 119.3 Ų | 119.3 | 37% | 0.374 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.4 | -30.8 | 175.7 | 51.2 | 0 | 0 | 0 | 0 | 114 | K302 R303 Q310 | K302-T306 WeakPolarHBondContact O-CB 3.33Å; K302-T306 WeakPolarHBondContact O-CG2 3.5Å; K302-T306 PolarHBondContact O-N 2.88Å; K302-T306 PolarHBondContact O-OG1 3.2Å; R303-T306 WeakPolarHBondContact CA-OG1 3.39Å; R303-T306 PolarHBondContact O-N 3.38Å; R303-T306 PolarHBondContact O-OG1 3.33Å; T306-Q310 VanDerWaalsContact O-CB 3.25Å; T306-Q310 WeakPolarHBondContact O-CB 3.48Å; T306-Q310 WeakPolarHBondContact O-CG 3.37Å; T306-Q310 PolarHBondContact O-N 3.44Å |
| 307 | E | 63.9 | Low | 62.8 | Low | 116 Ų | 116 | 119.1 Ų | 119.1 | 54% | 0.542 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -69.3 | -37.1 | 173.8 | -78 | 178.2 | 174.5 | 0 | 0 | 111.3 | R303 L304 E305 R311 | R303-E307 WeakPolarHBondContact O-CG 3.27Å; R303-E307 PolarHBondContact O-N 2.88Å; L304-E307 PolarHBondContact O-N 3.36Å; E305-E307 PolarHBondContact O-N 3.22Å; E307-R311 WeakPolarHBondContact O-CB 3.42Å; E307-R311 WeakPolarHBondContact O-CG 3.3Å; E307-R311 PolarHBondContact O-N 2.97Å; E307-R311 VanDerWaalsContact O-N 3.13Å |
| 308 | L | 64.1 | Low | 64.9 | Low | 121 Ų | 121 | 114.1 Ų | 114.1 | 63% | 0.634 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.9 | -42.5 | 174.3 | -131.1 | 165.7 | 0 | 0 | 0 | 111.2 | L304 E305 R311 T312 | L304-L308 PolarHBondContact O-N 3.34Å; E305-L308 PolarHBondContact O-N 2.96Å; L308-R311 WeakPolarHBondContact O-CB 3.45Å; L308-R311 PolarHBondContact O-N 2.99Å; L308-R311 VanDerWaalsContact O-N 3.16Å; L308-T312 HydrophobicContact CD2-CG2 4.4Å; L308-T312 PolarHBondContact O-N 2.89Å; L308-T312 PolarHBondContact O-OG1 3.4Å |
| 309 | E | 69.6 | Low | 67 | Low | 133 Ų | 133 | 116.9 Ų | 116.9 | 62% | 0.621 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -71.2 | -34.3 | -179.8 | -163.3 | 162.1 | -133.9 | 0 | 0 | 112.8 | E305 R311 T312 G313 | E305-E309 WeakPolarHBondContact O-CB 3.46Å; E305-E309 PolarHBondContact O-N 2.89Å; E309-R311 VanDerWaalsContact C-N 3.34Å; E309-T312 WeakPolarHBondContact CA-OG1 3.5Å; E309-T312 PolarHBondContact O-OG1 3.43Å; E309-T312 VanDerWaalsContact O-OG1 3.09Å; E309-G313 PolarHBondContact O-N 2.96Å |
| 310 | Q | 72.9 | Confident | 68.7 | Low | 137 Ų | 137 | 113 Ų | 113 | 64% | 0.64 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.5 | -36.6 | 167.2 | -76.5 | 171.8 | 13.8 | 0 | 0 | 112 | T306 A314 | T306-Q310 VanDerWaalsContact O-CB 3.25Å; T306-Q310 WeakPolarHBondContact O-CB 3.48Å; T306-Q310 WeakPolarHBondContact O-CG 3.37Å; T306-Q310 PolarHBondContact O-N 3.44Å; Q310-A314 VanDerWaalsContact O-CB 3.31Å; Q310-A314 WeakPolarHBondContact O-CB 3.43Å; Q310-A314 PolarHBondContact O-N 2.89Å |
| 311 | R | 72.3 | Confident | 70.6 | Confident | 202 Ų | 202 | 108.4 Ų | 108.4 | 76% | 0.762 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -71.5 | -39 | 178.1 | -73.1 | -76.6 | -178.3 | 158.9 | 1.5 | 112.4 | E307 L308 E309 L315 | E307-R311 WeakPolarHBondContact O-CB 3.42Å; E307-R311 WeakPolarHBondContact O-CG 3.3Å; E307-R311 PolarHBondContact O-N 2.97Å; E307-R311 VanDerWaalsContact O-N 3.13Å; L308-R311 WeakPolarHBondContact O-CB 3.45Å; L308-R311 PolarHBondContact O-N 2.99Å; L308-R311 VanDerWaalsContact O-N 3.16Å; E309-R311 VanDerWaalsContact C-N 3.34Å; R311-L315 WeakPolarHBondContact O-CB 3.27Å; R311-L315 PolarHBondContact O-N 2.9Å |
| 312 | T | 73.7 | Confident | 72.4 | Confident | 77 Ų | 77 | 106.9 Ų | 106.9 | 47% | 0.472 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.1 | -39.8 | 172.6 | 51.9 | 0 | 0 | 0 | 0 | 111.7 | L308 E309 A314 L315 Q316 | L308-T312 HydrophobicContact CD2-CG2 4.4Å; L308-T312 PolarHBondContact O-N 2.89Å; L308-T312 PolarHBondContact O-OG1 3.4Å; E309-T312 WeakPolarHBondContact CA-OG1 3.5Å; E309-T312 PolarHBondContact O-OG1 3.43Å; E309-T312 VanDerWaalsContact O-OG1 3.09Å; T312-A314 PolarHBondContact O-N 3.3Å; T312-L315 WeakPolarHBondContact O-CB 3.39Å; T312-L315 PolarHBondContact O-N 2.97Å; T312-Q316 WeakPolarHBondContact O-CB 3.48Å; T312-Q316 PolarHBondContact O-N 3.4Å |
| 313 | G | 78 | Confident | 74 | Confident | 35 Ų | 35 | 105.1 Ų | 105.1 | 36% | 0.361 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.6 | -44.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E309 L315 Q316 T317 | E309-G313 PolarHBondContact O-N 2.96Å; G313-L315 VanDerWaalsContact C-N 3.34Å; G313-L315 PolarHBondContact O-N 3.05Å; G313-Q316 PolarHBondContact O-N 2.93Å; G313-T317 PolarHBondContact O-N 3.35Å; G313-T317 PolarHBondContact O-OG1 3.32Å |
| 314 | A | 78.6 | Confident | 75.6 | Confident | 52 Ų | 52 | 101.4 Ų | 101.4 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.8 | -31.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q310 T312 T317 T318 | Q310-A314 VanDerWaalsContact O-CB 3.31Å; Q310-A314 WeakPolarHBondContact O-CB 3.43Å; Q310-A314 PolarHBondContact O-N 2.89Å; T312-A314 PolarHBondContact O-N 3.3Å; A314-T317 PolarHBondContact O-OG1 2.74Å; A314-T318 WeakPolarHBondContact O-CG2 3.45Å; A314-T318 PolarHBondContact O-N 3.14Å; A314-T318 PolarHBondContact O-OG1 2.93Å; A314-T318 VanDerWaalsContact O-OG1 3.13Å |
| 315 | L | 78.8 | Confident | 77.3 | Confident | 117 Ų | 117 | 100.5 Ų | 100.5 | 61% | 0.613 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.4 | -42 | 173.4 | -157.8 | 79.6 | 0 | 0 | 0 | 110.9 | R311 T312 G313 T318 Q319 | R311-L315 WeakPolarHBondContact O-CB 3.27Å; R311-L315 PolarHBondContact O-N 2.9Å; T312-L315 WeakPolarHBondContact O-CB 3.39Å; T312-L315 PolarHBondContact O-N 2.97Å; G313-L315 VanDerWaalsContact C-N 3.34Å; G313-L315 PolarHBondContact O-N 3.05Å; L315-T318 PolarHBondContact O-N 2.92Å; L315-T318 PolarHBondContact O-OG1 3.33Å; L315-Q319 WeakPolarHBondContact O-CB 3.33Å; L315-Q319 PolarHBondContact O-N 3.39Å |
| 316 | Q | 82.4 | Confident | 78.8 | Confident | 91 Ų | 91 | 99.9 Ų | 99.9 | 43% | 0.425 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 177.6 | -175 | 63 | 45.3 | 0 | 0 | 111.5 | T312 G313 T318 Q319 D320 | T312-Q316 WeakPolarHBondContact O-CB 3.48Å; T312-Q316 PolarHBondContact O-N 3.4Å; G313-Q316 PolarHBondContact O-N 2.93Å; Q316-T318 VanDerWaalsContact C-N 3.34Å; Q316-T318 PolarHBondContact O-N 3.24Å; Q316-Q319 PolarHBondContact O-N 2.91Å; Q316-Q319 VanDerWaalsContact O-N 3.13Å; Q316-D320 VanDerWaalsContact NE2-CG 3.32Å; Q316-D320 PolarHBondContact NE2-OD1 3.03Å; Q316-D320 PolarHBondContact NE2-OD2 3.35Å; Q316-D320 PolarHBondContact O-N 2.76Å |
| 317 | T | 82.3 | Confident | 80.1 | Confident | 94 Ų | 94 | 99.8 Ų | 99.8 | 58% | 0.577 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.9 | -34.5 | 178.7 | 57 | 0 | 0 | 0 | 0 | 112.9 | G313 A314 L321 | G313-T317 PolarHBondContact O-N 3.35Å; G313-T317 PolarHBondContact O-OG1 3.32Å; A314-T317 PolarHBondContact O-OG1 2.74Å; T317-L321 VanDerWaalsContact O-CB 3.3Å; T317-L321 WeakPolarHBondContact O-CB 3.22Å; T317-L321 PolarHBondContact O-N 3.42Å |
| 318 | T | 81.1 | Confident | 81.4 | Confident | 85 Ų | 85 | 97.1 Ų | 97.1 | 52% | 0.521 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.9 | -34.2 | 172.1 | 53.8 | 0 | 0 | 0 | 0 | 112.2 | A314 L315 Q316 L322 | A314-T318 WeakPolarHBondContact O-CG2 3.45Å; A314-T318 PolarHBondContact O-N 3.14Å; A314-T318 PolarHBondContact O-OG1 2.93Å; A314-T318 VanDerWaalsContact O-OG1 3.13Å; L315-T318 PolarHBondContact O-N 2.92Å; L315-T318 PolarHBondContact O-OG1 3.33Å; Q316-T318 VanDerWaalsContact C-N 3.34Å; Q316-T318 PolarHBondContact O-N 3.24Å; T318-L322 WeakPolarHBondContact O-CB 3.34Å; T318-L322 PolarHBondContact O-N 2.79Å |
| 319 | Q | 82.3 | Confident | 82.6 | Confident | 100 Ų | 100 | 95.4 Ų | 95.4 | 47% | 0.467 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.9 | -38.2 | 176 | -166.8 | 176.9 | 9.9 | 0 | 0 | 112.9 | L315 Q316 L322 K323 | L315-Q319 WeakPolarHBondContact O-CB 3.33Å; L315-Q319 PolarHBondContact O-N 3.39Å; Q316-Q319 PolarHBondContact O-N 2.91Å; Q316-Q319 VanDerWaalsContact O-N 3.13Å; Q319-L322 WeakPolarHBondContact O-CB 3.43Å; Q319-L322 PolarHBondContact O-N 3.09Å; Q319-K323 WeakPolarHBondContact O-CG 3.42Å; Q319-K323 PolarHBondContact O-N 3.48Å; Q319-K323 VanDerWaalsContact O-N 3.1Å |
| 320 | D | 85.5 | Confident | 83.6 | Confident | 68 Ų | 68 | 94 Ų | 94 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -74.7 | -34.3 | 176.9 | -67.1 | -34.6 | 0 | 0 | 0 | 112.2 | Q316 L322 K323 Q324 | Q316-D320 VanDerWaalsContact NE2-CG 3.32Å; Q316-D320 PolarHBondContact NE2-OD1 3.03Å; Q316-D320 PolarHBondContact NE2-OD2 3.35Å; Q316-D320 PolarHBondContact O-N 2.76Å; D320-L322 VanDerWaalsContact C-N 3.3Å; D320-L322 PolarHBondContact O-N 3.36Å; D320-K323 PolarHBondContact O-N 3.48Å; D320-K323 IonicContact OD1-NZ 3.47Å; D320-K323 PolarHBondContact OD1-NZ 3.47Å; D320-Q324 PolarHBondContact O-N 2.97Å |
| 321 | L | 88.2 | Confident | 84.5 | Confident | 96 Ų | 96 | 93.2 Ų | 93.2 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.8 | -36 | 168.6 | -172.7 | 67.7 | 0 | 0 | 0 | 111.9 | T317 Q324 K325 | T317-L321 VanDerWaalsContact O-CB 3.3Å; T317-L321 WeakPolarHBondContact O-CB 3.22Å; T317-L321 PolarHBondContact O-N 3.42Å; L321-Q324 PolarHBondContact O-N 2.93Å; L321-K325 PolarHBondContact O-N 2.84Å |
| 322 | L | 84.8 | Confident | 85.4 | Confident | 105 Ų | 105 | 89.6 Ų | 89.6 | 55% | 0.55 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.5 | -49.3 | 174.3 | -160.4 | 92.5 | 0 | 0 | 0 | 111 | T318 Q319 D320 Q324 K325 E326 | T318-L322 WeakPolarHBondContact O-CB 3.34Å; T318-L322 PolarHBondContact O-N 2.79Å; Q319-L322 WeakPolarHBondContact O-CB 3.43Å; Q319-L322 PolarHBondContact O-N 3.09Å; D320-L322 VanDerWaalsContact C-N 3.3Å; D320-L322 PolarHBondContact O-N 3.36Å; L322-Q324 VanDerWaalsContact C-N 3.26Å; L322-Q324 PolarHBondContact O-N 3.22Å; L322-K325 CarbonylContact O-C 3.58Å; L322-K325 WeakPolarHBondContact O-CA 3.39Å; L322-K325 PolarHBondContact O-N 3.17Å; L322-E326 WeakPolarHBondContact O-CG 3.32Å; L322-E326 PolarHBondContact O-N 3.31Å |
| 323 | K | 87.9 | Confident | 86.2 | Confident | 96 Ų | 96 | 91.9 Ų | 91.9 | 42% | 0.417 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.1 | -39.2 | 175.1 | -66.3 | 167.9 | -163.9 | 160.7 | 0 | 112.1 | Q319 D320 K325 E326 A327 | Q319-K323 WeakPolarHBondContact O-CG 3.42Å; Q319-K323 PolarHBondContact O-N 3.48Å; Q319-K323 VanDerWaalsContact O-N 3.1Å; D320-K323 PolarHBondContact O-N 3.48Å; D320-K323 IonicContact OD1-NZ 3.47Å; D320-K323 PolarHBondContact OD1-NZ 3.47Å; K323-K325 VanDerWaalsContact C-N 3.35Å; K323-E326 PolarHBondContact O-N 3.19Å; K323-A327 WeakPolarHBondContact O-CB 3.5Å; K323-A327 PolarHBondContact O-N 3.21Å |
| 324 | Q | 89.8 | Confident | 86.9 | Confident | 106 Ų | 106 | 96.9 Ų | 96.9 | 50% | 0.495 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 174.8 | -174.3 | -174.7 | -24.2 | 0 | 0 | 111.2 | D320 L321 L322 A327 E328 | D320-Q324 PolarHBondContact O-N 2.97Å; L321-Q324 PolarHBondContact O-N 2.93Å; L322-Q324 VanDerWaalsContact C-N 3.26Å; L322-Q324 PolarHBondContact O-N 3.22Å; Q324-A327 PolarHBondContact O-N 2.8Å; Q324-E328 PolarHBondContact NE2-OE1 3.24Å; Q324-E328 WeakPolarHBondContact O-CG 3.49Å; Q324-E328 PolarHBondContact O-N 3.08Å |
| 325 | K | 88.1 | Confident | 87.5 | Confident | 101 Ų | 101 | 98.2 Ų | 98.2 | 44% | 0.439 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71 | -32.6 | 176.5 | -65 | -47.4 | -176.9 | -165.8 | 0 | 113.4 | L321 L322 K323 E328 V329 | L321-K325 PolarHBondContact O-N 2.84Å; L322-K325 CarbonylContact O-C 3.58Å; L322-K325 WeakPolarHBondContact O-CA 3.39Å; L322-K325 PolarHBondContact O-N 3.17Å; K323-K325 VanDerWaalsContact C-N 3.35Å; K325-E328 VanDerWaalsContact CD-OE2 3.26Å; K325-E328 WeakPolarHBondContact CD-OE2 3.33Å; K325-E328 IonicContact NZ-OE1 2.74Å; K325-E328 PolarHBondContact NZ-OE1 2.9Å; K325-E328 IonicContact NZ-OE2 2.81Å; K325-E328 PolarHBondContact NZ-OE2 3.41Å; K325-E328 PolarHBondContact O-N 2.93Å; K325-V329 WeakPolarHBondContact O-CB 3.33Å; K325-V329 VanDerWaalsContact O-CG2 3.27Å; K325-V329 WeakPolarHBondContact O-CG2 3.44Å; K325-V329 PolarHBondContact O-N 3.4Å |
| 326 | E | 87.6 | Confident | 88.2 | Confident | 105 Ų | 105 | 97.1 Ų | 97.1 | 49% | 0.491 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 168.8 | -69.1 | 170.4 | 162.4 | 0 | 0 | 111.2 | L322 K323 V329 N330 | L322-E326 WeakPolarHBondContact O-CG 3.32Å; L322-E326 PolarHBondContact O-N 3.31Å; K323-E326 PolarHBondContact O-N 3.19Å; E326-V329 PolarHBondContact O-N 3.11Å; E326-N330 WeakPolarHBondContact O-CB 3.33Å; E326-N330 VanDerWaalsContact O-CG 3.27Å; E326-N330 PolarHBondContact O-N 2.84Å; E326-N330 PolarHBondContact O-ND2 3.08Å |
| 327 | A | 89.5 | Confident | 88.7 | Confident | 58 Ų | 58 | 96.9 Ų | 96.9 | 48% | 0.479 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | K323 Q324 N330 K331 | K323-A327 WeakPolarHBondContact O-CB 3.5Å; K323-A327 PolarHBondContact O-N 3.21Å; Q324-A327 PolarHBondContact O-N 2.8Å; A327-N330 PolarHBondContact O-N 3.15Å; A327-K331 WeakPolarHBondContact O-CB 3.49Å; A327-K331 PolarHBondContact O-N 2.83Å |
| 328 | E | 91.1 | Very high | 89.3 | Confident | 60 Ų | 60 | 96.4 Ų | 96.4 | 28% | 0.28 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 173.3 | -74 | 173.6 | -147 | 0 | 0 | 111.7 | Q324 K325 K331 F332 | Q324-E328 PolarHBondContact NE2-OE1 3.24Å; Q324-E328 WeakPolarHBondContact O-CG 3.49Å; Q324-E328 PolarHBondContact O-N 3.08Å; K325-E328 VanDerWaalsContact CD-OE2 3.26Å; K325-E328 WeakPolarHBondContact CD-OE2 3.33Å; K325-E328 IonicContact NZ-OE1 2.74Å; K325-E328 PolarHBondContact NZ-OE1 2.9Å; K325-E328 IonicContact NZ-OE2 2.81Å; K325-E328 PolarHBondContact NZ-OE2 3.41Å; K325-E328 PolarHBondContact O-N 2.93Å; E328-K331 WeakPolarHBondContact O-CB 3.46Å; E328-K331 PolarHBondContact O-N 3.31Å; E328-F332 HydrophobicContact CB-CE2 4.32Å; E328-F332 WeakPolarHBondContact O-CD2 3.48Å; E328-F332 PolarHBondContact O-N 3.2Å |
| 329 | V | 89.6 | Confident | 89.7 | Confident | 86 Ų | 86 | 95.4 Ų | 95.4 | 52% | 0.521 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.6 | -47 | 176 | 167.1 | 0 | 0 | 0 | 0 | 111.1 | K325 E326 K331 F332 Q333 | K325-V329 WeakPolarHBondContact O-CB 3.33Å; K325-V329 VanDerWaalsContact O-CG2 3.27Å; K325-V329 WeakPolarHBondContact O-CG2 3.44Å; K325-V329 PolarHBondContact O-N 3.4Å; E326-V329 PolarHBondContact O-N 3.11Å; V329-K331 VanDerWaalsContact C-N 3.29Å; V329-K331 PolarHBondContact O-N 3.22Å; V329-F332 PolarHBondContact O-N 3.45Å; V329-Q333 VanDerWaalsContact O-CB 3.29Å; V329-Q333 WeakPolarHBondContact O-CB 3.47Å; V329-Q333 PolarHBondContact O-N 3.43Å |
| 330 | N | 90.6 | Very high | 90.1 | Very high | 102 Ų | 102 | 95.7 Ų | 95.7 | 55% | 0.545 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.6 | -40.1 | 175.9 | -74 | -41.3 | 0 | 0 | 0 | 112 | E326 A327 Q333 Q334 | E326-N330 WeakPolarHBondContact O-CB 3.33Å; E326-N330 VanDerWaalsContact O-CG 3.27Å; E326-N330 PolarHBondContact O-N 2.84Å; E326-N330 PolarHBondContact O-ND2 3.08Å; A327-N330 PolarHBondContact O-N 3.15Å; N330-Q333 PolarHBondContact O-N 2.86Å; N330-Q334 PolarHBondContact O-N 3.18Å |
| 331 | K | 91.8 | Very high | 90.5 | Very high | 121 Ų | 121 | 96 Ų | 96 | 53% | 0.526 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.5 | -49.7 | 176.3 | -173.7 | 174.8 | -177 | -76.6 | 0 | 111.8 | A327 E328 V329 Q333 Q334 E335 | A327-K331 WeakPolarHBondContact O-CB 3.49Å; A327-K331 PolarHBondContact O-N 2.83Å; E328-K331 WeakPolarHBondContact O-CB 3.46Å; E328-K331 PolarHBondContact O-N 3.31Å; V329-K331 VanDerWaalsContact C-N 3.29Å; V329-K331 PolarHBondContact O-N 3.22Å; K331-Q333 PolarHBondContact O-N 3.43Å; K331-Q334 PolarHBondContact O-N 3.31Å; K331-E335 IonicContact NZ-OE1 2.68Å; K331-E335 PolarHBondContact NZ-OE1 3.41Å; K331-E335 WeakPolarHBondContact O-CG 3.5Å; K331-E335 PolarHBondContact O-N 3.42Å |
| 332 | F | 91.4 | Very high | 90.8 | Very high | 127 Ų | 127 | 94 Ų | 94 | 56% | 0.557 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.9 | -33.4 | 175.7 | -67.8 | -54 | 0 | 0 | 0 | 112.6 | E328 V329 E335 L336 | E328-F332 HydrophobicContact CB-CE2 4.32Å; E328-F332 WeakPolarHBondContact O-CD2 3.48Å; E328-F332 PolarHBondContact O-N 3.2Å; V329-F332 PolarHBondContact O-N 3.45Å; F332-E335 WeakPolarHBondContact CD1-OE2 3.41Å; F332-L336 WeakPolarHBondContact O-CB 3.4Å; F332-L336 PolarHBondContact O-N 3.2Å |
| 333 | Q | 91.1 | Very high | 91.2 | Very high | 124 Ų | 124 | 93.6 Ų | 93.6 | 58% | 0.579 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -71 | -34.5 | 178 | -161.6 | 164.6 | 8.1 | 0 | 0 | 112 | V329 N330 K331 Q337 | V329-Q333 VanDerWaalsContact O-CB 3.29Å; V329-Q333 WeakPolarHBondContact O-CB 3.47Å; V329-Q333 PolarHBondContact O-N 3.43Å; N330-Q333 PolarHBondContact O-N 2.86Å; K331-Q333 PolarHBondContact O-N 3.43Å; Q333-Q337 PolarHBondContact O-N 2.7Å |
| 334 | Q | 91.9 | Very high | 91.6 | Very high | 141 Ų | 141 | 95.5 Ų | 95.5 | 66% | 0.659 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -71.5 | -44.8 | 171.5 | -171 | 174.4 | 11.1 | 0 | 0 | 112 | N330 K331 L336 Q337 T338 | N330-Q334 PolarHBondContact O-N 3.18Å; K331-Q334 PolarHBondContact O-N 3.31Å; Q334-L336 PolarHBondContact O-N 3.06Å; Q334-Q337 PolarHBondContact O-N 2.98Å; Q334-Q337 VanDerWaalsContact O-N 3.09Å; Q334-T338 PolarHBondContact O-N 3.35Å |
| 335 | E | 92.4 | Very high | 91.8 | Very high | 80 Ų | 80 | 94.7 Ų | 94.7 | 37% | 0.374 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.5 | -46.4 | 174.7 | -73.4 | 170.7 | 177.1 | 0 | 0 | 111.3 | K331 F332 Q337 T338 S339 | K331-E335 IonicContact NZ-OE1 2.68Å; K331-E335 PolarHBondContact NZ-OE1 3.41Å; K331-E335 WeakPolarHBondContact O-CG 3.5Å; K331-E335 PolarHBondContact O-N 3.42Å; F332-E335 WeakPolarHBondContact CD1-OE2 3.41Å; E335-Q337 VanDerWaalsContact C-N 3.26Å; E335-Q337 PolarHBondContact O-N 3.45Å; E335-T338 PolarHBondContact O-N 3.33Å; E335-T338 PolarHBondContact O-OG1 3.26Å; E335-S339 WeakPolarHBondContact O-CB 3.36Å; E335-S339 PolarHBondContact O-N 3.3Å |
| 336 | L | 93.1 | Very high | 92 | Very high | 93 Ų | 93 | 93.9 Ų | 93.9 | 49% | 0.487 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.2 | -35 | 174.4 | 178.4 | 62.1 | 0 | 0 | 0 | 112.5 | F332 Q334 K340 | F332-L336 WeakPolarHBondContact O-CB 3.4Å; F332-L336 PolarHBondContact O-N 3.2Å; Q334-L336 PolarHBondContact O-N 3.06Å; L336-K340 WeakPolarHBondContact O-CG 3.5Å; L336-K340 PolarHBondContact O-N 3.21Å; L336-K340 VanDerWaalsContact O-N 3.17Å |
| 337 | Q | 93.3 | Very high | 92.3 | Very high | 86 Ų | 86 | 94.2 Ų | 94.2 | 40% | 0.402 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.9 | -47.6 | 175.6 | -169.7 | 56.2 | 40.8 | 0 | 0 | 111.4 | Q333 Q334 E335 S339 K340 D341 | Q333-Q337 PolarHBondContact O-N 2.7Å; Q334-Q337 PolarHBondContact O-N 2.98Å; Q334-Q337 VanDerWaalsContact O-N 3.09Å; E335-Q337 VanDerWaalsContact C-N 3.26Å; E335-Q337 PolarHBondContact O-N 3.45Å; Q337-S339 PolarHBondContact O-N 3.47Å; Q337-K340 WeakPolarHBondContact O-CB 3.26Å; Q337-K340 PolarHBondContact O-N 3.19Å; Q337-D341 PolarHBondContact NE2-OD1 3.44Å; Q337-D341 VanDerWaalsContact O-CG 3.24Å; Q337-D341 PolarHBondContact O-N 3.4Å |
| 338 | T | 93.1 | Very high | 92.5 | Very high | 85 Ų | 85 | 96.3 Ų | 96.3 | 52% | 0.521 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.1 | -33.9 | 176 | 58.2 | 0 | 0 | 0 | 0 | 112.9 | Q334 E335 A342 | Q334-T338 PolarHBondContact O-N 3.35Å; E335-T338 PolarHBondContact O-N 3.33Å; E335-T338 PolarHBondContact O-OG1 3.26Å; T338-A342 WeakPolarHBondContact O-CB 3.37Å; T338-A342 PolarHBondContact O-N 3.46Å |
| 339 | S | 90 | Very high | 92.8 | Very high | 64 Ų | 64 | 98.8 Ų | 98.8 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 174 | -178.7 | 0 | 0 | 0 | 0 | 112.7 | E335 Q337 A342 L343 | E335-S339 WeakPolarHBondContact O-CB 3.36Å; E335-S339 PolarHBondContact O-N 3.3Å; Q337-S339 PolarHBondContact O-N 3.47Å; S339-A342 PolarHBondContact O-N 3.42Å; S339-L343 WeakPolarHBondContact O-CB 3.37Å; S339-L343 PolarHBondContact O-N 3.1Å |
| 340 | K | 92.1 | Very high | 92.9 | Very high | 105 Ų | 105 | 99.5 Ų | 99.5 | 46% | 0.457 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 174.1 | -71 | 165.7 | -176.7 | 170 | 0 | 112.2 | L336 Q337 A342 L343 W344 | L336-K340 WeakPolarHBondContact O-CG 3.5Å; L336-K340 PolarHBondContact O-N 3.21Å; L336-K340 VanDerWaalsContact O-N 3.17Å; Q337-K340 WeakPolarHBondContact O-CB 3.26Å; Q337-K340 PolarHBondContact O-N 3.19Å; K340-A342 VanDerWaalsContact C-N 3.31Å; K340-A342 PolarHBondContact O-N 2.95Å; K340-L343 WeakPolarHBondContact O-CB 3.35Å; K340-L343 PolarHBondContact O-N 3.46Å; K340-W344 PolarHBondContact O-N 3.39Å |
| 341 | D | 93.4 | Very high | 93.1 | Very high | 75 Ų | 75 | 100.6 Ų | 100.6 | 40% | 0.401 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.7 | -37.5 | -179.5 | -59.5 | -27 | 0 | 0 | 0 | 110.5 | Q337 N345 | Q337-D341 PolarHBondContact NE2-OD1 3.44Å; Q337-D341 VanDerWaalsContact O-CG 3.24Å; Q337-D341 PolarHBondContact O-N 3.4Å; D341-N345 PolarHBondContact O-N 2.92Å; D341-N345 PolarHBondContact O-ND2 3.3Å |
| 342 | A | 93.3 | Very high | 93.3 | Very high | 53 Ų | 53 | 101.5 Ų | 101.5 | 44% | 0.438 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.3 | -45.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T338 S339 K340 W344 N345 V346 | T338-A342 WeakPolarHBondContact O-CB 3.37Å; T338-A342 PolarHBondContact O-N 3.46Å; S339-A342 PolarHBondContact O-N 3.42Å; K340-A342 VanDerWaalsContact C-N 3.31Å; K340-A342 PolarHBondContact O-N 2.95Å; A342-W344 PolarHBondContact O-N 3.45Å; A342-N345 PolarHBondContact O-N 3.24Å; A342-V346 WeakPolarHBondContact O-CG2 3.21Å; A342-V346 PolarHBondContact O-N 3.09Å; A342-V346 VanDerWaalsContact O-N 3.08Å |
| 343 | L | 93.6 | Very high | 93.4 | Very high | 98 Ų | 98 | 100.3 Ų | 100.3 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.3 | -48.7 | 176.1 | -103.2 | 164.2 | 0 | 0 | 0 | 112.1 | S339 K340 N345 V346 E347 | S339-L343 WeakPolarHBondContact O-CB 3.37Å; S339-L343 PolarHBondContact O-N 3.1Å; K340-L343 WeakPolarHBondContact O-CB 3.35Å; K340-L343 PolarHBondContact O-N 3.46Å; L343-N345 VanDerWaalsContact C-N 3.29Å; L343-N345 PolarHBondContact O-N 3.49Å; L343-V346 PolarHBondContact O-N 3.49Å; L343-E347 WeakPolarHBondContact O-CG 3.49Å; L343-E347 PolarHBondContact O-N 3.47Å |
| 344 | W | 96.1 | Very high | 93.5 | Very high | 135 Ų | 135 | 98.8 Ų | 98.8 | 51% | 0.511 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -36.3 | 179.6 | -178.4 | 82.5 | 0 | 0 | 0 | 113.1 | K340 A342 K348 | K340-W344 PolarHBondContact O-N 3.39Å; A342-W344 PolarHBondContact O-N 3.45Å; W344-K348 HydrophobicContact CD2-CD 4.41Å; W344-K348 HydrophobicContact CE3-CD 4.37Å; W344-K348 HydrophobicContact CH2-CD 3.84Å; W344-K348 VanDerWaalsContact CH2-NZ 3.3Å; W344-K348 HydrophobicContact CZ2-CD 3.81Å; W344-K348 HydrophobicContact CZ3-CD 4.09Å; W344-K348 PolarHBondContact O-N 3.28Å; W344-K348 VanDerWaalsContact O-N 3.1Å |
| 345 | N | 94.3 | Very high | 93.6 | Very high | 90 Ų | 90 | 97.5 Ų | 97.5 | 48% | 0.481 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.9 | -39.6 | 173.5 | -75.5 | -55.5 | 0 | 0 | 0 | 111.7 | D341 A342 L343 K348 M349 | D341-N345 PolarHBondContact O-N 2.92Å; D341-N345 PolarHBondContact O-ND2 3.3Å; A342-N345 PolarHBondContact O-N 3.24Å; L343-N345 VanDerWaalsContact C-N 3.29Å; L343-N345 PolarHBondContact O-N 3.49Å; N345-K348 PolarHBondContact O-N 3.04Å; N345-M349 WeakPolarHBondContact O-CG 3.48Å; N345-M349 PolarHBondContact O-N 2.71Å |
| 346 | V | 92.7 | Very high | 93.7 | Very high | 83 Ų | 83 | 98.2 Ų | 98.2 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.3 | -42.2 | 175.5 | 173 | 0 | 0 | 0 | 0 | 111.6 | A342 L343 K348 M349 L350 | A342-V346 WeakPolarHBondContact O-CG2 3.21Å; A342-V346 PolarHBondContact O-N 3.09Å; A342-V346 VanDerWaalsContact O-N 3.08Å; L343-V346 PolarHBondContact O-N 3.49Å; V346-K348 VanDerWaalsContact C-N 3.33Å; V346-K348 PolarHBondContact O-N 3.08Å; V346-M349 PolarHBondContact O-N 3.47Å; V346-L350 HydrophobicContact CG1-CD1 4.11Å; V346-L350 WeakPolarHBondContact O-CG 3.31Å; V346-L350 PolarHBondContact O-N 2.96Å |
| 347 | E | 93.1 | Very high | 93.7 | Very high | 113 Ų | 113 | 98.4 Ų | 98.4 | 53% | 0.528 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.6 | -46.3 | 174.6 | -72.7 | 175.3 | 155.5 | 0 | 0 | 111.1 | L343 L350 E351 | L343-E347 WeakPolarHBondContact O-CG 3.49Å; L343-E347 PolarHBondContact O-N 3.47Å; E347-L350 WeakPolarHBondContact O-CB 3.5Å; E347-L350 PolarHBondContact O-N 2.93Å; E347-E351 PolarHBondContact O-N 3.05Å |
| 348 | K | 95.5 | Very high | 93.8 | Very high | 101 Ų | 101 | 97.7 Ų | 97.7 | 44% | 0.439 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.7 | -36.9 | 175.9 | -83.2 | -168.3 | 162.3 | -172.5 | 0 | 114.6 | W344 N345 V346 L350 E351 Y352 | W344-K348 HydrophobicContact CD2-CD 4.41Å; W344-K348 HydrophobicContact CE3-CD 4.37Å; W344-K348 HydrophobicContact CH2-CD 3.84Å; W344-K348 VanDerWaalsContact CH2-NZ 3.3Å; W344-K348 HydrophobicContact CZ2-CD 3.81Å; W344-K348 HydrophobicContact CZ3-CD 4.09Å; W344-K348 PolarHBondContact O-N 3.28Å; W344-K348 VanDerWaalsContact O-N 3.1Å; N345-K348 PolarHBondContact O-N 3.04Å; V346-K348 VanDerWaalsContact C-N 3.33Å; V346-K348 PolarHBondContact O-N 3.08Å; K348-L350 VanDerWaalsContact C-N 3.3Å; K348-E351 PolarHBondContact O-N 2.78Å; K348-Y352 PolarHBondContact O-N 2.95Å |
| 349 | M | 95.5 | Very high | 93.8 | Very high | 112 Ų | 112 | 96.9 Ų | 96.9 | 55% | 0.552 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64 | -38.2 | 174 | -73.9 | -61.1 | -60.7 | 0 | 0 | 111.2 | N345 V346 Y352 Q353 | N345-M349 WeakPolarHBondContact O-CG 3.48Å; N345-M349 PolarHBondContact O-N 2.71Å; V346-M349 PolarHBondContact O-N 3.47Å; M349-Y352 PolarHBondContact O-N 3.3Å; M349-Q353 WeakPolarHBondContact O-CB 3.44Å; M349-Q353 WeakPolarHBondContact O-CG 3.28Å; M349-Q353 PolarHBondContact O-N 2.92Å |
| 350 | L | 93.2 | Very high | 93.8 | Very high | 101 Ų | 101 | 96.4 Ų | 96.4 | 53% | 0.529 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.3 | -40.3 | 174.4 | -71 | 168.1 | 0 | 0 | 0 | 112.4 | V346 E347 K348 Y352 N354 | V346-L350 HydrophobicContact CG1-CD1 4.11Å; V346-L350 WeakPolarHBondContact O-CG 3.31Å; V346-L350 PolarHBondContact O-N 2.96Å; E347-L350 WeakPolarHBondContact O-CB 3.5Å; E347-L350 PolarHBondContact O-N 2.93Å; K348-L350 VanDerWaalsContact C-N 3.3Å; L350-Y352 VanDerWaalsContact C-N 3.34Å; L350-Y352 PolarHBondContact O-N 3.48Å; L350-N354 VanDerWaalsContact O-CB 3.23Å; L350-N354 WeakPolarHBondContact O-CB 3.49Å; L350-N354 PolarHBondContact O-N 2.9Å |
| 351 | E | 93.9 | Very high | 93.9 | Very high | 126 Ų | 126 | 96.6 Ų | 96.6 | 59% | 0.589 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -58.2 | -45.3 | 172.3 | -73.5 | -171.7 | 140.2 | 0 | 0 | 111.6 | E347 K348 N354 L355 | E347-E351 PolarHBondContact O-N 3.05Å; K348-E351 PolarHBondContact O-N 2.78Å; E351-N354 PolarHBondContact O-N 3.37Å; E351-L355 WeakPolarHBondContact O-CG 3.35Å; E351-L355 PolarHBondContact O-N 3.17Å; E351-L355 VanDerWaalsContact O-N 3.08Å |
| 352 | Y | 95.3 | Very high | 93.9 | Very high | 139 Ų | 139 | 100.2 Ų | 100.2 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -50.4 | 178.6 | -173.5 | -99.1 | 0 | 0 | 0 | 112.2 | K348 M349 L350 N354 L355 E356 | K348-Y352 PolarHBondContact O-N 2.95Å; M349-Y352 PolarHBondContact O-N 3.3Å; L350-Y352 VanDerWaalsContact C-N 3.34Å; L350-Y352 PolarHBondContact O-N 3.48Å; Y352-N354 VanDerWaalsContact C-N 3.26Å; Y352-N354 PolarHBondContact O-N 3.33Å; Y352-L355 WeakPolarHBondContact O-CB 3.23Å; Y352-L355 PolarHBondContact O-N 2.98Å; Y352-L355 VanDerWaalsContact O-N 3.09Å; Y352-E356 HydrophobicContact CD1-CG 4.22Å; Y352-E356 HydrophobicContact CE1-CG 3.89Å; Y352-E356 WeakPolarHBondContact CE1-OE1 3.26Å; Y352-E356 WeakPolarHBondContact CE1-OE2 3.36Å; Y352-E356 PolarHBondContact O-N 2.96Å |
| 353 | Q | 93.4 | Very high | 94 | Very high | 102 Ų | 102 | 101.1 Ų | 101.1 | 48% | 0.477 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.8 | -35.3 | 177.3 | -74.1 | 176.8 | -11.5 | 0 | 0 | 112.5 | M349 E356 L357 | M349-Q353 WeakPolarHBondContact O-CB 3.44Å; M349-Q353 WeakPolarHBondContact O-CG 3.28Å; M349-Q353 PolarHBondContact O-N 2.92Å; Q353-E356 PolarHBondContact O-N 3.25Å; Q353-L357 VanDerWaalsContact O-CB 3.24Å; Q353-L357 WeakPolarHBondContact O-CB 3.48Å; Q353-L357 PolarHBondContact O-N 3.11Å |
| 354 | N | 93.3 | Very high | 93.9 | Very high | 92 Ų | 92 | 100.6 Ų | 100.6 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70 | -35 | 177 | -163.1 | -12.4 | 0 | 0 | 0 | 111.8 | L350 E351 Y352 Q358 | L350-N354 VanDerWaalsContact O-CB 3.23Å; L350-N354 WeakPolarHBondContact O-CB 3.49Å; L350-N354 PolarHBondContact O-N 2.9Å; E351-N354 PolarHBondContact O-N 3.37Å; Y352-N354 VanDerWaalsContact C-N 3.26Å; Y352-N354 PolarHBondContact O-N 3.33Å; N354-Q358 WeakPolarHBondContact O-CB 3.41Å; N354-Q358 VanDerWaalsContact O-CG 3.32Å; N354-Q358 WeakPolarHBondContact O-CG 3.31Å; N354-Q358 PolarHBondContact O-N 2.65Å; N354-Q358 PolarHBondContact OD1-NE2 3.5Å |
| 355 | L | 95.2 | Very high | 93.9 | Very high | 114 Ų | 114 | 98.5 Ų | 98.5 | 60% | 0.597 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.8 | -42.6 | 171.7 | -72.5 | 167.5 | 0 | 0 | 0 | 112.4 | E351 Y352 Q358 S359 | E351-L355 WeakPolarHBondContact O-CG 3.35Å; E351-L355 PolarHBondContact O-N 3.17Å; E351-L355 VanDerWaalsContact O-N 3.08Å; Y352-L355 WeakPolarHBondContact O-CB 3.23Å; Y352-L355 PolarHBondContact O-N 2.98Å; Y352-L355 VanDerWaalsContact O-N 3.09Å; L355-Q358 PolarHBondContact O-N 2.64Å; L355-S359 PolarHBondContact O-N 2.91Å |
| 356 | E | 94.4 | Very high | 93.9 | Very high | 95 Ų | 95 | 97.9 Ų | 97.9 | 44% | 0.444 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.5 | -47.7 | 173.2 | -70.3 | -171.1 | 124.5 | 0 | 0 | 111.2 | Y352 Q353 Q358 S359 A360 | Y352-E356 HydrophobicContact CD1-CG 4.22Å; Y352-E356 HydrophobicContact CE1-CG 3.89Å; Y352-E356 WeakPolarHBondContact CE1-OE1 3.26Å; Y352-E356 WeakPolarHBondContact CE1-OE2 3.36Å; Y352-E356 PolarHBondContact O-N 2.96Å; Q353-E356 PolarHBondContact O-N 3.25Å; E356-Q358 VanDerWaalsContact C-N 3.33Å; E356-Q358 PolarHBondContact O-N 2.86Å; E356-S359 WeakPolarHBondContact O-CB 3.49Å; E356-S359 PolarHBondContact O-N 2.94Å; E356-S359 PolarHBondContact O-OG 2.76Å; E356-A360 PolarHBondContact O-N 3.41Å |
| 357 | L | 93.7 | Very high | 93.9 | Very high | 97 Ų | 97 | 98.9 Ų | 98.9 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.8 | -37.3 | 179.3 | -166.2 | 148.9 | 0 | 0 | 0 | 112.1 | Q353 A360 Q361 | Q353-L357 VanDerWaalsContact O-CB 3.24Å; Q353-L357 WeakPolarHBondContact O-CB 3.48Å; Q353-L357 PolarHBondContact O-N 3.11Å; L357-A360 PolarHBondContact O-N 3.29Å; L357-Q361 HydrophobicContact CD2-CG 4.24Å; L357-Q361 WeakPolarHBondContact O-CB 3.48Å; L357-Q361 VanDerWaalsContact O-CG 3.31Å; L357-Q361 WeakPolarHBondContact O-CG 3.25Å; L357-Q361 PolarHBondContact O-N 2.9Å |
| 358 | Q | 94.5 | Very high | 94 | Very high | 71 Ų | 71 | 98.1 Ų | 98.1 | 33% | 0.332 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.1 | -35.3 | 171.1 | -77.8 | -179.3 | 43.2 | 0 | 0 | 113.3 | N354 L355 E356 R362 | N354-Q358 WeakPolarHBondContact O-CB 3.41Å; N354-Q358 VanDerWaalsContact O-CG 3.32Å; N354-Q358 WeakPolarHBondContact O-CG 3.31Å; N354-Q358 PolarHBondContact O-N 2.65Å; N354-Q358 PolarHBondContact OD1-NE2 3.5Å; L355-Q358 PolarHBondContact O-N 2.64Å; E356-Q358 VanDerWaalsContact C-N 3.33Å; E356-Q358 PolarHBondContact O-N 2.86Å; Q358-R362 VanDerWaalsContact O-CG 3.3Å; Q358-R362 WeakPolarHBondContact O-CG 3.17Å; Q358-R362 PolarHBondContact O-N 2.91Å; Q358-R362 VanDerWaalsContact O-N 3.17Å |
| 359 | S | 92.8 | Very high | 94 | Very high | 69 Ų | 69 | 98.8 Ų | 98.8 | 48% | 0.483 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.7 | -41.4 | 176.1 | 78 | 0 | 0 | 0 | 0 | 111.8 | L355 E356 R362 S363 | L355-S359 PolarHBondContact O-N 2.91Å; E356-S359 WeakPolarHBondContact O-CB 3.49Å; E356-S359 PolarHBondContact O-N 2.94Å; E356-S359 PolarHBondContact O-OG 2.76Å; S359-R362 PolarHBondContact O-N 3.39Å; S359-S363 PolarHBondContact O-N 3.08Å |
| 360 | A | 90.2 | Very high | 93.9 | Very high | 53 Ų | 53 | 99.1 Ų | 99.1 | 44% | 0.438 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E356 L357 R362 S363 V364 | E356-A360 PolarHBondContact O-N 3.41Å; L357-A360 PolarHBondContact O-N 3.29Å; A360-R362 VanDerWaalsContact C-N 3.33Å; A360-R362 PolarHBondContact O-N 2.88Å; A360-S363 WeakPolarHBondContact O-CB 3.08Å; A360-S363 PolarHBondContact O-N 3.38Å; A360-V364 WeakPolarHBondContact O-CG2 3.44Å; A360-V364 PolarHBondContact O-N 3.12Å |
| 361 | Q | 94 | Very high | 93.8 | Very high | 109 Ų | 109 | 99.5 Ų | 99.5 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.5 | -42.3 | 174.4 | -79.8 | 178.1 | -8 | 0 | 0 | 112.7 | L357 V364 I365 | L357-Q361 HydrophobicContact CD2-CG 4.24Å; L357-Q361 WeakPolarHBondContact O-CB 3.48Å; L357-Q361 VanDerWaalsContact O-CG 3.31Å; L357-Q361 WeakPolarHBondContact O-CG 3.25Å; L357-Q361 PolarHBondContact O-N 2.9Å; Q361-V364 PolarHBondContact O-N 3.33Å; Q361-I365 WeakPolarHBondContact O-CD1 3.4Å; Q361-I365 VanDerWaalsContact O-CG1 3.3Å; Q361-I365 WeakPolarHBondContact O-CG1 3.28Å; Q361-I365 PolarHBondContact O-N 3.41Å |
| 362 | R | 94.8 | Very high | 93.9 | Very high | 152 Ų | 152 | 99.4 Ų | 99.4 | 57% | 0.574 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.6 | -43.3 | 176.4 | -68.3 | 168.2 | -160 | 174.2 | 9.4 | 111.4 | Q358 S359 A360 V364 I365 D366 | Q358-R362 VanDerWaalsContact O-CG 3.3Å; Q358-R362 WeakPolarHBondContact O-CG 3.17Å; Q358-R362 PolarHBondContact O-N 2.91Å; Q358-R362 VanDerWaalsContact O-N 3.17Å; S359-R362 PolarHBondContact O-N 3.39Å; A360-R362 VanDerWaalsContact C-N 3.33Å; A360-R362 PolarHBondContact O-N 2.88Å; R362-V364 PolarHBondContact O-N 2.96Å; R362-I365 PolarHBondContact O-N 3.39Å; R362-D366 PolarHBondContact O-N 3.22Å |
| 363 | S | 94.4 | Very high | 93.8 | Very high | 72 Ų | 72 | 95.5 Ų | 95.5 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59 | -45.4 | 174.9 | -179.3 | 0 | 0 | 0 | 0 | 112.2 | S359 A360 I365 D366 M367 | S359-S363 PolarHBondContact O-N 3.08Å; A360-S363 WeakPolarHBondContact O-CB 3.08Å; A360-S363 PolarHBondContact O-N 3.38Å; S363-I365 PolarHBondContact O-N 3.42Å; S363-D366 PolarHBondContact O-N 2.88Å; S363-M367 WeakPolarHBondContact O-CG 3.43Å; S363-M367 PolarHBondContact O-N 2.95Å |
| 364 | V | 91.7 | Very high | 93.7 | Very high | 86 Ų | 86 | 92.8 Ų | 92.8 | 52% | 0.521 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 175.7 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | A360 Q361 R362 D366 M367 E368 | A360-V364 WeakPolarHBondContact O-CG2 3.44Å; A360-V364 PolarHBondContact O-N 3.12Å; Q361-V364 PolarHBondContact O-N 3.33Å; R362-V364 PolarHBondContact O-N 2.96Å; V364-D366 VanDerWaalsContact C-N 3.32Å; V364-D366 PolarHBondContact O-N 3.48Å; V364-M367 PolarHBondContact O-N 2.89Å; V364-E368 WeakPolarHBondContact O-CB 3.36Å; V364-E368 PolarHBondContact O-N 2.99Å |
| 365 | I | 95.2 | Very high | 93.8 | Very high | 92 Ų | 92 | 96.6 Ų | 96.6 | 47% | 0.472 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.6 | -36.8 | 177.7 | -72.2 | 164.9 | 0 | 0 | 0 | 112 | Q361 R362 S363 K369 | Q361-I365 WeakPolarHBondContact O-CD1 3.4Å; Q361-I365 VanDerWaalsContact O-CG1 3.3Å; Q361-I365 WeakPolarHBondContact O-CG1 3.28Å; Q361-I365 PolarHBondContact O-N 3.41Å; R362-I365 PolarHBondContact O-N 3.39Å; S363-I365 PolarHBondContact O-N 3.42Å; I365-K369 WeakPolarHBondContact O-CG 3.12Å; I365-K369 PolarHBondContact O-N 3.27Å |
| 366 | D | 94.9 | Very high | 93.8 | Very high | 77 Ų | 77 | 96 Ų | 96 | 41% | 0.412 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -77.9 | -36.8 | 178.1 | -71 | -29.7 | 0 | 0 | 0 | 112.5 | R362 S363 V364 E368 K369 Q370 | R362-D366 PolarHBondContact O-N 3.22Å; S363-D366 PolarHBondContact O-N 2.88Å; V364-D366 VanDerWaalsContact C-N 3.32Å; V364-D366 PolarHBondContact O-N 3.48Å; D366-E368 VanDerWaalsContact C-N 3.3Å; D366-E368 PolarHBondContact O-N 3.31Å; D366-K369 WeakPolarHBondContact O-CB 3.43Å; D366-K369 PolarHBondContact O-N 3.15Å; D366-K369 VanDerWaalsContact O-N 3.15Å; D366-K369 WeakPolarHBondContact OD1-CE 3.49Å; D366-K369 IonicContact OD1-NZ 2.67Å; D366-K369 PolarHBondContact OD1-NZ 2.74Å; D366-Q370 PolarHBondContact O-N 3.3Å |
| 367 | M | 93.3 | Very high | 93.8 | Very high | 104 Ų | 104 | 97.4 Ų | 97.4 | 51% | 0.512 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.3 | -38.1 | 168.5 | -69.9 | -60.8 | -63.6 | 0 | 0 | 111.8 | S363 V364 K369 Q370 M371 | S363-M367 WeakPolarHBondContact O-CG 3.43Å; S363-M367 PolarHBondContact O-N 2.95Å; V364-M367 PolarHBondContact O-N 2.89Å; M367-K369 VanDerWaalsContact C-N 3.32Å; M367-K369 PolarHBondContact O-N 3.04Å; M367-Q370 PolarHBondContact O-N 3.32Å; M367-M371 WeakPolarHBondContact O-CB 3.35Å; M367-M371 VanDerWaalsContact O-CG 3.27Å; M367-M371 WeakPolarHBondContact O-CG 3.49Å; M367-M371 PolarHBondContact O-N 3.16Å |
| 368 | E | 94.4 | Very high | 93.8 | Very high | 96 Ų | 96 | 96.7 Ų | 96.7 | 45% | 0.449 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.6 | -37 | 172.8 | -94.9 | -162.6 | -141 | 0 | 0 | 112.9 | V364 D366 K372 | V364-E368 WeakPolarHBondContact O-CB 3.36Å; V364-E368 PolarHBondContact O-N 2.99Å; D366-E368 VanDerWaalsContact C-N 3.3Å; D366-E368 PolarHBondContact O-N 3.31Å; E368-K372 VanDerWaalsContact O-CD 3.26Å; E368-K372 WeakPolarHBondContact O-CD 3.43Å; E368-K372 WeakPolarHBondContact O-CG 3.42Å; E368-K372 PolarHBondContact O-N 3.31Å; E368-K372 VanDerWaalsContact O-N 3.08Å; E368-K372 IonicContact OE2-NZ 2.72Å; E368-K372 PolarHBondContact OE2-NZ 3.37Å |
| 369 | K | 95.4 | Very high | 93.9 | Very high | 116 Ų | 116 | 98.8 Ų | 98.8 | 50% | 0.504 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.8 | -45.6 | 176.2 | -67.8 | 164.8 | -163.5 | 163.3 | 0 | 110.9 | I365 D366 M367 M371 K372 S373 | I365-K369 WeakPolarHBondContact O-CG 3.12Å; I365-K369 PolarHBondContact O-N 3.27Å; D366-K369 WeakPolarHBondContact O-CB 3.43Å; D366-K369 PolarHBondContact O-N 3.15Å; D366-K369 VanDerWaalsContact O-N 3.15Å; D366-K369 WeakPolarHBondContact OD1-CE 3.49Å; D366-K369 IonicContact OD1-NZ 2.67Å; D366-K369 PolarHBondContact OD1-NZ 2.74Å; M367-K369 VanDerWaalsContact C-N 3.32Å; M367-K369 PolarHBondContact O-N 3.04Å; K369-M371 VanDerWaalsContact C-N 3.34Å; K369-M371 PolarHBondContact O-N 3.23Å; K369-K372 WeakPolarHBondContact O-CB 3.18Å; K369-K372 PolarHBondContact O-N 3.3Å; K369-S373 PolarHBondContact O-N 3.35Å |
| 370 | Q | 93.8 | Very high | 93.9 | Very high | 118 Ų | 118 | 99.3 Ų | 99.3 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.2 | -40.9 | 176.4 | -67.6 | 177.5 | 3 | 0 | 0 | 111.7 | D366 M367 K372 S373 A374 | D366-Q370 PolarHBondContact O-N 3.3Å; M367-Q370 PolarHBondContact O-N 3.32Å; Q370-K372 PolarHBondContact O-N 3.34Å; Q370-S373 PolarHBondContact O-N 3.45Å; Q370-S373 PolarHBondContact O-OG 3.49Å; Q370-S373 VanDerWaalsContact O-OG 3.09Å; Q370-A374 VanDerWaalsContact O-CB 3.29Å; Q370-A374 WeakPolarHBondContact O-CB 3.43Å; Q370-A374 PolarHBondContact O-N 2.78Å |
| 371 | M | 92 | Very high | 93.9 | Very high | 110 Ų | 110 | 99.5 Ų | 99.5 | 54% | 0.542 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.7 | -29.2 | 172.7 | -77.6 | -81.2 | -83.3 | 0 | 0 | 113 | M367 K369 R375 | M367-M371 WeakPolarHBondContact O-CB 3.35Å; M367-M371 VanDerWaalsContact O-CG 3.27Å; M367-M371 WeakPolarHBondContact O-CG 3.49Å; M367-M371 PolarHBondContact O-N 3.16Å; K369-M371 VanDerWaalsContact C-N 3.34Å; K369-M371 PolarHBondContact O-N 3.23Å; M371-R375 WeakPolarHBondContact O-CB 3.41Å; M371-R375 VanDerWaalsContact O-CD 3.28Å; M371-R375 WeakPolarHBondContact O-CD 3.26Å; M371-R375 WeakPolarHBondContact O-CG 3.43Å; M371-R375 PolarHBondContact O-N 3.45Å |
| 372 | K | 94.9 | Very high | 94 | Very high | 123 Ų | 123 | 98.4 Ų | 98.4 | 54% | 0.535 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -79.5 | -40.8 | 176.3 | -72.1 | 160 | -165.2 | 165.4 | 0 | 111.9 | E368 K369 Q370 R375 Q376 | E368-K372 VanDerWaalsContact O-CD 3.26Å; E368-K372 WeakPolarHBondContact O-CD 3.43Å; E368-K372 WeakPolarHBondContact O-CG 3.42Å; E368-K372 PolarHBondContact O-N 3.31Å; E368-K372 VanDerWaalsContact O-N 3.08Å; E368-K372 IonicContact OE2-NZ 2.72Å; E368-K372 PolarHBondContact OE2-NZ 3.37Å; K369-K372 WeakPolarHBondContact O-CB 3.18Å; K369-K372 PolarHBondContact O-N 3.3Å; Q370-K372 PolarHBondContact O-N 3.34Å; K372-R375 PolarHBondContact O-N 3.24Å; K372-Q376 PolarHBondContact O-N 3.31Å; K372-Q376 VanDerWaalsContact O-N 3.15Å |
| 373 | S | 93.9 | Very high | 94 | Very high | 57 Ų | 57 | 94 Ų | 94 | 40% | 0.399 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.1 | -45.8 | 174.6 | 61 | 0 | 0 | 0 | 0 | 112 | K369 Q370 R375 Q376 E377 | K369-S373 PolarHBondContact O-N 3.35Å; Q370-S373 PolarHBondContact O-N 3.45Å; Q370-S373 PolarHBondContact O-OG 3.49Å; Q370-S373 VanDerWaalsContact O-OG 3.09Å; S373-R375 VanDerWaalsContact C-N 3.26Å; S373-R375 PolarHBondContact O-N 3.24Å; S373-Q376 WeakPolarHBondContact O-CB 3.43Å; S373-Q376 PolarHBondContact O-N 2.71Å; S373-E377 WeakPolarHBondContact O-CG 3.47Å; S373-E377 PolarHBondContact O-N 3.47Å |
| 374 | A | 91 | Very high | 94 | Very high | 46 Ų | 46 | 93.8 Ų | 93.8 | 38% | 0.38 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.7 | -34 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q370 V378 | Q370-A374 VanDerWaalsContact O-CB 3.29Å; Q370-A374 WeakPolarHBondContact O-CB 3.43Å; Q370-A374 PolarHBondContact O-N 2.78Å; A374-V378 WeakPolarHBondContact O-CB 3.5Å; A374-V378 VanDerWaalsContact O-CG2 3.27Å; A374-V378 WeakPolarHBondContact O-CG2 3.36Å; A374-V378 PolarHBondContact O-N 3.05Å |
| 375 | R | 94.7 | Very high | 94.1 | Very high | 172 Ų | 172 | 93 Ų | 93 | 65% | 0.649 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -66.2 | -41.4 | 172 | -79.5 | 170.9 | -175.9 | -129.6 | 0.5 | 112.5 | M371 K372 S373 V378 E379 | M371-R375 WeakPolarHBondContact O-CB 3.41Å; M371-R375 VanDerWaalsContact O-CD 3.28Å; M371-R375 WeakPolarHBondContact O-CD 3.26Å; M371-R375 WeakPolarHBondContact O-CG 3.43Å; M371-R375 PolarHBondContact O-N 3.45Å; K372-R375 PolarHBondContact O-N 3.24Å; S373-R375 VanDerWaalsContact C-N 3.26Å; S373-R375 PolarHBondContact O-N 3.24Å; R375-V378 PolarHBondContact O-N 3.14Å; R375-E379 WeakPolarHBondContact O-CB 3.48Å; R375-E379 PolarHBondContact O-N 2.69Å |
| 376 | Q | 95.8 | Very high | 94.1 | Very high | 101 Ų | 101 | 94.9 Ų | 94.9 | 47% | 0.472 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 175.6 | -170.3 | 65.6 | 57.7 | 0 | 0 | 111.1 | K372 S373 V378 E379 D380 | K372-Q376 PolarHBondContact O-N 3.31Å; K372-Q376 VanDerWaalsContact O-N 3.15Å; S373-Q376 WeakPolarHBondContact O-CB 3.43Å; S373-Q376 PolarHBondContact O-N 2.71Å; Q376-V378 VanDerWaalsContact C-N 3.3Å; Q376-V378 PolarHBondContact O-N 2.89Å; Q376-E379 PolarHBondContact O-N 3.37Å; Q376-E379 VanDerWaalsContact O-N 3.09Å; Q376-D380 PolarHBondContact NE2-OD1 2.67Å; Q376-D380 WeakPolarHBondContact O-CB 3.44Å; Q376-D380 PolarHBondContact O-N 3.38Å |
| 377 | E | 94.3 | Very high | 94.1 | Very high | 125 Ų | 125 | 97 Ų | 97 | 58% | 0.584 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.3 | -37.4 | 177.4 | -69.4 | 162.2 | -152.7 | 0 | 0 | 112.1 | S373 S381 | S373-E377 WeakPolarHBondContact O-CG 3.47Å; S373-E377 PolarHBondContact O-N 3.47Å; E377-S381 VanDerWaalsContact O-CB 3.31Å; E377-S381 WeakPolarHBondContact O-CB 3.45Å; E377-S381 PolarHBondContact O-N 3Å; E377-S381 PolarHBondContact O-OG 2.91Å |
| 378 | V | 93.8 | Very high | 94.2 | Very high | 82 Ų | 82 | 97.8 Ų | 97.8 | 50% | 0.497 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.5 | -36.9 | 172.4 | 168.4 | 0 | 0 | 0 | 0 | 112.3 | A374 R375 Q376 S381 Q382 | A374-V378 WeakPolarHBondContact O-CB 3.5Å; A374-V378 VanDerWaalsContact O-CG2 3.27Å; A374-V378 WeakPolarHBondContact O-CG2 3.36Å; A374-V378 PolarHBondContact O-N 3.05Å; R375-V378 PolarHBondContact O-N 3.14Å; Q376-V378 VanDerWaalsContact C-N 3.3Å; Q376-V378 PolarHBondContact O-N 2.89Å; V378-S381 WeakPolarHBondContact CA-OG 3.46Å; V378-S381 PolarHBondContact O-OG 3.33Å; V378-Q382 WeakPolarHBondContact O-CB 3.38Å; V378-Q382 VanDerWaalsContact O-CG 3.25Å; V378-Q382 WeakPolarHBondContact O-CG 3.34Å; V378-Q382 PolarHBondContact O-N 2.91Å |
| 379 | E | 96.1 | Very high | 94.2 | Very high | 115 Ų | 115 | 98.4 Ų | 98.4 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71.5 | -45.3 | 176.8 | -172.2 | 160.5 | -164 | 0 | 0 | 111.6 | R375 Q376 S381 Q382 T383 | R375-E379 WeakPolarHBondContact O-CB 3.48Å; R375-E379 PolarHBondContact O-N 2.69Å; Q376-E379 PolarHBondContact O-N 3.37Å; Q376-E379 VanDerWaalsContact O-N 3.09Å; E379-S381 PolarHBondContact O-N 3.18Å; E379-Q382 WeakPolarHBondContact O-CB 3.35Å; E379-Q382 PolarHBondContact O-N 3Å; E379-Q382 VanDerWaalsContact O-N 3.15Å; E379-T383 WeakPolarHBondContact O-CG2 3.33Å; E379-T383 PolarHBondContact O-N 3.45Å |
| 380 | D | 93.9 | Very high | 94.1 | Very high | 80 Ų | 80 | 95 Ų | 95 | 43% | 0.428 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.9 | -47.5 | 176.4 | -68.5 | -9.3 | 0 | 0 | 0 | 110.8 | Q376 Q382 T383 T384 | Q376-D380 PolarHBondContact NE2-OD1 2.67Å; Q376-D380 WeakPolarHBondContact O-CB 3.44Å; Q376-D380 PolarHBondContact O-N 3.38Å; D380-Q382 PolarHBondContact O-N 3.36Å; D380-T383 PolarHBondContact O-N 3.01Å; D380-T383 PolarHBondContact O-OG1 3.5Å; D380-T384 PolarHBondContact O-N 2.96Å; D380-T384 VanDerWaalsContact O-N 3.15Å |
| 381 | S | 89.9 | Confident | 94.2 | Very high | 57 Ų | 57 | 94.6 Ų | 94.6 | 40% | 0.399 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.2 | -31.3 | 175.7 | 55.8 | 0 | 0 | 0 | 0 | 113.4 | E377 V378 E379 T383 T384 V385 | E377-S381 VanDerWaalsContact O-CB 3.31Å; E377-S381 WeakPolarHBondContact O-CB 3.45Å; E377-S381 PolarHBondContact O-N 3Å; E377-S381 PolarHBondContact O-OG 2.91Å; V378-S381 WeakPolarHBondContact CA-OG 3.46Å; V378-S381 PolarHBondContact O-OG 3.33Å; E379-S381 PolarHBondContact O-N 3.18Å; S381-T383 VanDerWaalsContact C-N 3.3Å; S381-T383 PolarHBondContact O-N 3.5Å; S381-T384 PolarHBondContact O-N 2.86Å; S381-T384 PolarHBondContact O-OG1 3.04Å; S381-V385 WeakPolarHBondContact O-CG2 3.24Å; S381-V385 PolarHBondContact O-N 3.47Å |
| 382 | Q | 95.3 | Very high | 94.3 | Very high | 86 Ų | 86 | 93.7 Ų | 93.7 | 40% | 0.402 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.6 | -32.7 | 167.3 | -78.1 | 177.9 | 32.9 | 0 | 0 | 112.4 | V378 E379 D380 R386 | V378-Q382 WeakPolarHBondContact O-CB 3.38Å; V378-Q382 VanDerWaalsContact O-CG 3.25Å; V378-Q382 WeakPolarHBondContact O-CG 3.34Å; V378-Q382 PolarHBondContact O-N 2.91Å; E379-Q382 WeakPolarHBondContact O-CB 3.35Å; E379-Q382 PolarHBondContact O-N 3Å; E379-Q382 VanDerWaalsContact O-N 3.15Å; D380-Q382 PolarHBondContact O-N 3.36Å; Q382-R386 WeakPolarHBondContact O-CB 3.23Å; Q382-R386 WeakPolarHBondContact O-CD 3.39Å; Q382-R386 WeakPolarHBondContact O-CG 3.39Å; Q382-R386 PolarHBondContact O-N 2.86Å; Q382-R386 VanDerWaalsContact O-N 3.1Å |
| 383 | T | 94.6 | Very high | 94.3 | Very high | 59 Ų | 59 | 91.6 Ų | 91.6 | 36% | 0.362 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.5 | -37.6 | 175.3 | 73.8 | 0 | 0 | 0 | 0 | 112.6 | E379 D380 S381 R386 Q387 | E379-T383 WeakPolarHBondContact O-CG2 3.33Å; E379-T383 PolarHBondContact O-N 3.45Å; D380-T383 PolarHBondContact O-N 3.01Å; D380-T383 PolarHBondContact O-OG1 3.5Å; S381-T383 VanDerWaalsContact C-N 3.3Å; S381-T383 PolarHBondContact O-N 3.5Å; T383-R386 PolarHBondContact O-N 2.84Å; T383-Q387 VanDerWaalsContact O-CG 3.32Å; T383-Q387 WeakPolarHBondContact O-CG 3.46Å; T383-Q387 PolarHBondContact O-N 2.88Å; T383-Q387 VanDerWaalsContact O-N 3.1Å |
| 384 | T | 94.7 | Very high | 94.5 | Very high | 67 Ų | 67 | 96.5 Ų | 96.5 | 41% | 0.411 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -71.4 | -38.8 | 178 | 59.5 | 0 | 0 | 0 | 0 | 111.8 | D380 S381 Q387 Q388 | D380-T384 PolarHBondContact O-N 2.96Å; D380-T384 VanDerWaalsContact O-N 3.15Å; S381-T384 PolarHBondContact O-N 2.86Å; S381-T384 PolarHBondContact O-OG1 3.04Å; T384-Q387 WeakPolarHBondContact O-CB 3.49Å; T384-Q387 PolarHBondContact O-N 3.15Å; T384-Q388 WeakPolarHBondContact O-CG 3.49Å; T384-Q388 PolarHBondContact O-N 3.42Å |
| 385 | V | 93.4 | Very high | 94.7 | Very high | 70 Ų | 70 | 99.2 Ų | 99.2 | 42% | 0.424 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.8 | -48.3 | 171.3 | 170.7 | 0 | 0 | 0 | 0 | 111 | S381 Q387 Q388 E389 | S381-V385 WeakPolarHBondContact O-CG2 3.24Å; S381-V385 PolarHBondContact O-N 3.47Å; V385-Q387 PolarHBondContact O-N 2.77Å; V385-Q388 PolarHBondContact O-N 3.23Å; V385-Q388 VanDerWaalsContact O-N 3.08Å; V385-E389 HydrophobicContact CG1-CG 4.27Å; V385-E389 WeakPolarHBondContact O-CG 3.49Å; V385-E389 PolarHBondContact O-N 3.34Å |
| 386 | R | 95.7 | Very high | 94.8 | Very high | 131 Ų | 131 | 98.1 Ų | 98.1 | 49% | 0.494 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.6 | -33.1 | 177 | -72.4 | 167.7 | -172.6 | 131.8 | 9.2 | 113.2 | Q382 T383 A390 | Q382-R386 WeakPolarHBondContact O-CB 3.23Å; Q382-R386 WeakPolarHBondContact O-CD 3.39Å; Q382-R386 WeakPolarHBondContact O-CG 3.39Å; Q382-R386 PolarHBondContact O-N 2.86Å; Q382-R386 VanDerWaalsContact O-N 3.1Å; T383-R386 PolarHBondContact O-N 2.84Å; R386-A390 PolarHBondContact O-N 3.42Å |
| 387 | Q | 95.7 | Very high | 94.8 | Very high | 123 Ų | 123 | 97.8 Ų | 97.8 | 58% | 0.575 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -68.9 | -46.1 | 173.9 | -70.9 | 168.8 | 22.8 | 0 | 0 | 111.2 | T383 T384 V385 E389 A390 E391 | T383-Q387 VanDerWaalsContact O-CG 3.32Å; T383-Q387 WeakPolarHBondContact O-CG 3.46Å; T383-Q387 PolarHBondContact O-N 2.88Å; T383-Q387 VanDerWaalsContact O-N 3.1Å; T384-Q387 WeakPolarHBondContact O-CB 3.49Å; T384-Q387 PolarHBondContact O-N 3.15Å; V385-Q387 PolarHBondContact O-N 2.77Å; Q387-E389 PolarHBondContact O-N 3.22Å; Q387-A390 WeakPolarHBondContact O-CB 3.49Å; Q387-A390 PolarHBondContact O-N 3.05Å; Q387-E391 PolarHBondContact O-N 3.24Å |
| 388 | Q | 94.8 | Very high | 94.9 | Very high | 119 Ų | 119 | 95.4 Ų | 95.4 | 56% | 0.556 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63 | -39.7 | 176.5 | -69.5 | 175.5 | -6.9 | 0 | 0 | 112.3 | T384 V385 A390 E391 L392 | T384-Q388 WeakPolarHBondContact O-CG 3.49Å; T384-Q388 PolarHBondContact O-N 3.42Å; V385-Q388 PolarHBondContact O-N 3.23Å; V385-Q388 VanDerWaalsContact O-N 3.08Å; Q388-A390 VanDerWaalsContact C-N 3.33Å; Q388-A390 PolarHBondContact O-N 3.1Å; Q388-E391 PolarHBondContact O-N 2.98Å; Q388-L392 WeakPolarHBondContact O-CB 3.25Å; Q388-L392 VanDerWaalsContact O-CG 3.31Å; Q388-L392 WeakPolarHBondContact O-CG 3.38Å; Q388-L392 PolarHBondContact O-N 2.85Å |
| 389 | E | 94.1 | Very high | 95 | Very high | 110 Ų | 110 | 96.1 Ų | 96.1 | 51% | 0.514 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.4 | -40.9 | 173.4 | -72 | 176.4 | 146.2 | 0 | 0 | 112.2 | V385 Q387 T393 | V385-E389 HydrophobicContact CG1-CG 4.27Å; V385-E389 WeakPolarHBondContact O-CG 3.49Å; V385-E389 PolarHBondContact O-N 3.34Å; Q387-E389 PolarHBondContact O-N 3.22Å; E389-T393 WeakPolarHBondContact O-CB 3.27Å; E389-T393 PolarHBondContact O-N 3.32Å; E389-T393 PolarHBondContact O-OG1 2.8Å |
| 390 | A | 94.8 | Very high | 95 | Very high | 44 Ų | 44 | 98.3 Ų | 98.3 | 36% | 0.364 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.5 | -37.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R386 Q387 Q388 T393 R394 | R386-A390 PolarHBondContact O-N 3.42Å; Q387-A390 WeakPolarHBondContact O-CB 3.49Å; Q387-A390 PolarHBondContact O-N 3.05Å; Q388-A390 VanDerWaalsContact C-N 3.33Å; Q388-A390 PolarHBondContact O-N 3.1Å; A390-T393 PolarHBondContact O-N 3.47Å; A390-R394 WeakPolarHBondContact O-CG 3.36Å; A390-R394 PolarHBondContact O-N 3.04Å |
| 391 | E | 95.3 | Very high | 95.1 | Very high | 110 Ų | 110 | 100 Ų | 100 | 51% | 0.514 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -70.5 | -44 | 175.3 | -70.2 | -172.2 | 160.7 | 0 | 0 | 112.5 | Q387 Q388 T393 R394 L395 | Q387-E391 PolarHBondContact O-N 3.24Å; Q388-E391 PolarHBondContact O-N 2.98Å; E391-T393 PolarHBondContact O-N 3.27Å; E391-R394 WeakPolarHBondContact O-CB 3.4Å; E391-R394 PolarHBondContact O-N 3.29Å; E391-R394 VanDerWaalsContact O-N 3.14Å; E391-L395 WeakPolarHBondContact O-CG 3.42Å; E391-L395 PolarHBondContact O-N 2.87Å |
| 392 | L | 93.7 | Very high | 95.3 | Very high | 91 Ų | 91 | 100.1 Ų | 100.1 | 48% | 0.476 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.8 | -37.8 | 171.3 | -73.4 | 171.2 | 0 | 0 | 0 | 111.8 | Q388 L395 R396 | Q388-L392 WeakPolarHBondContact O-CB 3.25Å; Q388-L392 VanDerWaalsContact O-CG 3.31Å; Q388-L392 WeakPolarHBondContact O-CG 3.38Å; Q388-L392 PolarHBondContact O-N 2.85Å; L392-L395 PolarHBondContact O-N 2.98Å; L392-R396 WeakPolarHBondContact O-CB 3.39Å; L392-R396 WeakPolarHBondContact O-CD 3.44Å; L392-R396 WeakPolarHBondContact O-CG 3.26Å; L392-R396 PolarHBondContact O-N 3.19Å |
| 393 | T | 95.6 | Very high | 95.3 | Very high | 78 Ų | 78 | 100.6 Ų | 100.6 | 48% | 0.479 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66 | -43.8 | 175.6 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | E389 A390 E391 R396 E397 | E389-T393 WeakPolarHBondContact O-CB 3.27Å; E389-T393 PolarHBondContact O-N 3.32Å; E389-T393 PolarHBondContact O-OG1 2.8Å; A390-T393 PolarHBondContact O-N 3.47Å; E391-T393 PolarHBondContact O-N 3.27Å; T393-R396 PolarHBondContact O-N 2.86Å; T393-E397 PolarHBondContact O-N 3.47Å |
| 394 | R | 97 | Very high | 95.3 | Very high | 160 Ų | 160 | 104.1 Ų | 104.1 | 60% | 0.604 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.3 | -42.9 | 173.8 | -69.9 | 166.2 | -178.9 | 167.8 | 1.3 | 112.2 | A390 E391 E397 V398 | A390-R394 WeakPolarHBondContact O-CG 3.36Å; A390-R394 PolarHBondContact O-N 3.04Å; E391-R394 WeakPolarHBondContact O-CB 3.4Å; E391-R394 PolarHBondContact O-N 3.29Å; E391-R394 VanDerWaalsContact O-N 3.14Å; R394-E397 WeakPolarHBondContact O-CB 3.37Å; R394-E397 PolarHBondContact O-N 3.04Å; R394-V398 WeakPolarHBondContact O-CG2 3.22Å; R394-V398 PolarHBondContact O-N 2.84Å |
| 395 | L | 95.9 | Very high | 95.4 | Very high | 104 Ų | 104 | 105.1 Ų | 105.1 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 178.1 | -71.2 | 171 | 0 | 0 | 0 | 111.6 | E391 L392 E397 V398 L399 | E391-L395 WeakPolarHBondContact O-CG 3.42Å; E391-L395 PolarHBondContact O-N 2.87Å; L392-L395 PolarHBondContact O-N 2.98Å; L395-E397 VanDerWaalsContact C-N 3.31Å; L395-E397 PolarHBondContact O-N 3.24Å; L395-V398 PolarHBondContact O-N 3.44Å; L395-V398 VanDerWaalsContact O-N 3.16Å; L395-L399 WeakPolarHBondContact O-CG 3.4Å; L395-L399 PolarHBondContact O-N 2.97Å |
| 396 | R | 96.8 | Very high | 95.4 | Very high | 149 Ų | 149 | 106.6 Ų | 106.6 | 56% | 0.562 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.4 | -37.1 | 171.7 | -73.6 | 165.2 | 177.1 | 169.3 | -0.9 | 112.3 | L392 T393 R400 | L392-R396 WeakPolarHBondContact O-CB 3.39Å; L392-R396 WeakPolarHBondContact O-CD 3.44Å; L392-R396 WeakPolarHBondContact O-CG 3.26Å; L392-R396 PolarHBondContact O-N 3.19Å; T393-R396 PolarHBondContact O-N 2.86Å; R396-R400 WeakPolarHBondContact O-CB 3.47Å; R396-R400 WeakPolarHBondContact O-CD 3.47Å; R396-R400 VanDerWaalsContact O-CG 3.22Å; R396-R400 WeakPolarHBondContact O-CG 3.45Å; R396-R400 PolarHBondContact O-N 3.43Å |
| 397 | E | 96.3 | Very high | 95.3 | Very high | 94 Ų | 94 | 105 Ų | 105 | 44% | 0.439 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.9 | -33.7 | 173.1 | -74.4 | -159 | 148.2 | 0 | 0 | 113.9 | T393 R394 L395 R401 | T393-E397 PolarHBondContact O-N 3.47Å; R394-E397 WeakPolarHBondContact O-CB 3.37Å; R394-E397 PolarHBondContact O-N 3.04Å; L395-E397 VanDerWaalsContact C-N 3.31Å; L395-E397 PolarHBondContact O-N 3.24Å; E397-R401 WeakPolarHBondContact O-CD 3.49Å; E397-R401 VanDerWaalsContact O-CG 3.27Å; E397-R401 WeakPolarHBondContact O-CG 3.43Å; E397-R401 PolarHBondContact O-N 3.46Å; E397-R401 VanDerWaalsContact O-N 3.17Å; E397-R401 IonicContact OE2-CZ 2.58Å; E397-R401 IonicContact OE2-NH2 2.63Å; E397-R401 PolarHBondContact OE2-NH2 3.48Å |
| 398 | V | 96.7 | Very high | 95.4 | Very high | 75 Ų | 75 | 104.8 Ų | 104.8 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.6 | -46.5 | 174.6 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | R394 L395 R400 R401 T402 | R394-V398 WeakPolarHBondContact O-CG2 3.22Å; R394-V398 PolarHBondContact O-N 2.84Å; L395-V398 PolarHBondContact O-N 3.44Å; L395-V398 VanDerWaalsContact O-N 3.16Å; V398-R400 PolarHBondContact O-N 3.09Å; V398-R401 WeakPolarHBondContact O-CA 3.34Å; V398-R401 WeakPolarHBondContact O-CB 3.37Å; V398-R401 PolarHBondContact O-N 3.33Å; V398-T402 PolarHBondContact O-N 3.4Å; V398-T402 PolarHBondContact O-OG1 2.99Å |
| 399 | L | 94.9 | Very high | 95.3 | Very high | 96 Ų | 96 | 105.9 Ų | 105.9 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -56 | -49.5 | 174.3 | -74.2 | 166.9 | 0 | 0 | 0 | 111.1 | L395 R401 T402 E403 | L395-L399 WeakPolarHBondContact O-CG 3.4Å; L395-L399 PolarHBondContact O-N 2.97Å; L399-R401 PolarHBondContact O-N 3.33Å; L399-T402 WeakPolarHBondContact CA-OG1 3.49Å; L399-T402 PolarHBondContact O-N 3.47Å; L399-T402 PolarHBondContact O-OG1 3.02Å; L399-E403 WeakPolarHBondContact O-CB 3.45Å; L399-E403 VanDerWaalsContact O-CG 3.26Å; L399-E403 WeakPolarHBondContact O-CG 3.43Å; L399-E403 PolarHBondContact O-N 3.15Å |
| 400 | R | 97 | Very high | 95.4 | Very high | 161 Ų | 161 | 104.1 Ų | 104.1 | 61% | 0.608 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.2 | -11.9 | 173.3 | -74 | 172 | 174.7 | 176.4 | -3.1 | 115.4 | R396 V398 E403 R404 | R396-R400 WeakPolarHBondContact O-CB 3.47Å; R396-R400 WeakPolarHBondContact O-CD 3.47Å; R396-R400 VanDerWaalsContact O-CG 3.22Å; R396-R400 WeakPolarHBondContact O-CG 3.45Å; R396-R400 PolarHBondContact O-N 3.43Å; V398-R400 PolarHBondContact O-N 3.09Å; R400-E403 VanDerWaalsContact CA-OE2 3.3Å; R400-E403 WeakPolarHBondContact CA-OE2 3.42Å; R400-R404 PolarHBondContact O-NE 3.02Å; R400-R404 PolarHBondContact O-NH2 2.9Å |
| 401 | R | 95.6 | Very high | 95.4 | Very high | 116 Ų | 116 | 104.3 Ų | 104.3 | 44% | 0.438 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -89.8 | -46.3 | 169.8 | -72.3 | 163.6 | -166.2 | 152 | 14.5 | 109.8 | E397 V398 L399 E403 R404 E405 | E397-R401 WeakPolarHBondContact O-CD 3.49Å; E397-R401 VanDerWaalsContact O-CG 3.27Å; E397-R401 WeakPolarHBondContact O-CG 3.43Å; E397-R401 PolarHBondContact O-N 3.46Å; E397-R401 VanDerWaalsContact O-N 3.17Å; E397-R401 IonicContact OE2-CZ 2.58Å; E397-R401 IonicContact OE2-NH2 2.63Å; E397-R401 PolarHBondContact OE2-NH2 3.48Å; V398-R401 WeakPolarHBondContact O-CA 3.34Å; V398-R401 WeakPolarHBondContact O-CB 3.37Å; V398-R401 PolarHBondContact O-N 3.33Å; L399-R401 PolarHBondContact O-N 3.33Å; R401-E403 VanDerWaalsContact C-N 3.34Å; R401-E403 PolarHBondContact O-N 3.18Å; R401-R404 PolarHBondContact O-N 3.46Å; R401-E405 WeakPolarHBondContact O-CG 3.44Å; R401-E405 PolarHBondContact O-N 2.73Å |
| 402 | T | 94.1 | Very high | 95.3 | Very high | 59 Ų | 59 | 104.2 Ų | 104.2 | 36% | 0.362 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.5 | -33.6 | 177 | 49 | 0 | 0 | 0 | 0 | 113.5 | V398 L399 E405 L406 | V398-T402 PolarHBondContact O-N 3.4Å; V398-T402 PolarHBondContact O-OG1 2.99Å; L399-T402 WeakPolarHBondContact CA-OG1 3.49Å; L399-T402 PolarHBondContact O-N 3.47Å; L399-T402 PolarHBondContact O-OG1 3.02Å; T402-E405 PolarHBondContact O-N 3.48Å; T402-L406 VanDerWaalsContact O-CG 3.24Å; T402-L406 WeakPolarHBondContact O-CG 3.41Å; T402-L406 PolarHBondContact O-N 3.28Å |
| 403 | E | 94.1 | Very high | 95.4 | Very high | 97 Ų | 97 | 104.9 Ų | 104.9 | 45% | 0.453 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.5 | -58.2 | 171.9 | -74 | 158 | -173.8 | 0 | 0 | 109.9 | L399 R400 R401 E405 L406 D407 | L399-E403 WeakPolarHBondContact O-CB 3.45Å; L399-E403 VanDerWaalsContact O-CG 3.26Å; L399-E403 WeakPolarHBondContact O-CG 3.43Å; L399-E403 PolarHBondContact O-N 3.15Å; R400-E403 VanDerWaalsContact CA-OE2 3.3Å; R400-E403 WeakPolarHBondContact CA-OE2 3.42Å; R401-E403 VanDerWaalsContact C-N 3.34Å; R401-E403 PolarHBondContact O-N 3.18Å; E403-E405 VanDerWaalsContact C-N 3.32Å; E403-E405 PolarHBondContact O-N 2.91Å; E403-L406 CarbonylContact O-C 3.6Å; E403-L406 WeakPolarHBondContact O-CA 3.32Å; E403-L406 WeakPolarHBondContact O-CB 3.45Å; E403-L406 PolarHBondContact O-N 2.98Å; E403-D407 VanDerWaalsContact O-CG 3.24Å; E403-D407 PolarHBondContact O-N 2.79Å |
| 404 | R | 96.4 | Very high | 95.3 | Very high | 132 Ų | 132 | 106.5 Ų | 106.5 | 50% | 0.498 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.6 | -37 | 177.5 | -74.6 | 178.3 | -68.8 | 116.6 | 2.9 | 113.8 | R400 R401 L406 D407 E408 | R400-R404 PolarHBondContact O-NE 3.02Å; R400-R404 PolarHBondContact O-NH2 2.9Å; R401-R404 PolarHBondContact O-N 3.46Å; R404-L406 PolarHBondContact O-N 3.45Å; R404-D407 WeakPolarHBondContact CA-OD2 3.34Å; R404-D407 PolarHBondContact O-N 2.81Å; R404-E408 WeakPolarHBondContact O-CB 3.43Å; R404-E408 VanDerWaalsContact O-CG 3.29Å; R404-E408 WeakPolarHBondContact O-CG 3.47Å; R404-E408 PolarHBondContact O-N 2.99Å |
| 405 | E | 95.4 | Very high | 95.3 | Very high | 89 Ų | 89 | 104.1 Ų | 104.1 | 42% | 0.416 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.6 | -24.5 | 172.8 | -79.2 | -174.1 | -136.1 | 0 | 0 | 113.3 | R401 T402 E403 R409 | R401-E405 WeakPolarHBondContact O-CG 3.44Å; R401-E405 PolarHBondContact O-N 2.73Å; T402-E405 PolarHBondContact O-N 3.48Å; E403-E405 VanDerWaalsContact C-N 3.32Å; E403-E405 PolarHBondContact O-N 2.91Å; E405-R409 WeakPolarHBondContact O-CD 3.31Å; E405-R409 WeakPolarHBondContact O-CG 3.46Å; E405-R409 PolarHBondContact O-NE 3.36Å; E405-R409 IonicContact OE2-NH2 3.42Å; E405-R409 PolarHBondContact OE2-NH2 3.48Å |
| 406 | L | 92.8 | Very high | 95.2 | Very high | 100 Ų | 100 | 105.2 Ų | 105.2 | 52% | 0.524 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -82.7 | -42.6 | 171.9 | -71 | 167.1 | 0 | 0 | 0 | 110.7 | T402 E403 R404 E408 R409 V410 | T402-L406 VanDerWaalsContact O-CG 3.24Å; T402-L406 WeakPolarHBondContact O-CG 3.41Å; T402-L406 PolarHBondContact O-N 3.28Å; E403-L406 CarbonylContact O-C 3.6Å; E403-L406 WeakPolarHBondContact O-CA 3.32Å; E403-L406 WeakPolarHBondContact O-CB 3.45Å; E403-L406 PolarHBondContact O-N 2.98Å; R404-L406 PolarHBondContact O-N 3.45Å; L406-E408 VanDerWaalsContact C-N 3.34Å; L406-E408 PolarHBondContact O-N 3.21Å; L406-R409 CarbonylContact O-C 3.6Å; L406-R409 WeakPolarHBondContact O-CA 3.21Å; L406-R409 WeakPolarHBondContact O-CB 3.39Å; L406-R409 PolarHBondContact O-N 3.46Å; L406-V410 WeakPolarHBondContact O-CG2 3.28Å; L406-V410 PolarHBondContact O-N 3.02Å |
| 407 | D | 95.1 | Very high | 94.9 | Very high | 97 Ų | 97 | 101.9 Ų | 101.9 | 52% | 0.519 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.1 | -46.3 | 175.2 | -57.1 | -34 | 0 | 0 | 0 | 111.3 | E403 R404 R409 V410 A411 | E403-D407 VanDerWaalsContact O-CG 3.24Å; E403-D407 PolarHBondContact O-N 2.79Å; R404-D407 WeakPolarHBondContact CA-OD2 3.34Å; R404-D407 PolarHBondContact O-N 2.81Å; D407-R409 VanDerWaalsContact C-N 3.28Å; D407-R409 PolarHBondContact O-N 3.07Å; D407-V410 PolarHBondContact O-N 3.39Å; D407-A411 WeakPolarHBondContact O-CB 3.24Å; D407-A411 PolarHBondContact O-N 2.97Å |
| 408 | E | 96.5 | Very high | 94.9 | Very high | 120 Ų | 120 | 103 Ų | 103 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.7 | -36.5 | 174.1 | -75.1 | 173.4 | -164.8 | 0 | 0 | 112.1 | R404 L406 H412 | R404-E408 WeakPolarHBondContact O-CB 3.43Å; R404-E408 VanDerWaalsContact O-CG 3.29Å; R404-E408 WeakPolarHBondContact O-CG 3.47Å; R404-E408 PolarHBondContact O-N 2.99Å; L406-E408 VanDerWaalsContact C-N 3.34Å; L406-E408 PolarHBondContact O-N 3.21Å; E408-H412 VanDerWaalsContact O-CB 3.3Å; E408-H412 WeakPolarHBondContact O-CB 3.21Å; E408-H412 PolarHBondContact O-CD2 3.27Å; E408-H412 PolarHBondContact O-N 2.63Å |
| 409 | R | 93.9 | Very high | 94.7 | Very high | 141 Ų | 141 | 103.6 Ų | 103.6 | 53% | 0.532 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -73.5 | -37.7 | 176.2 | -70.2 | 167.3 | -151.6 | -165.3 | 7.3 | 112.1 | E405 L406 D407 H412 L413 | E405-R409 WeakPolarHBondContact O-CD 3.31Å; E405-R409 WeakPolarHBondContact O-CG 3.46Å; E405-R409 PolarHBondContact O-NE 3.36Å; E405-R409 IonicContact OE2-NH2 3.42Å; E405-R409 PolarHBondContact OE2-NH2 3.48Å; L406-R409 CarbonylContact O-C 3.6Å; L406-R409 WeakPolarHBondContact O-CA 3.21Å; L406-R409 WeakPolarHBondContact O-CB 3.39Å; L406-R409 PolarHBondContact O-N 3.46Å; D407-R409 VanDerWaalsContact C-N 3.28Å; D407-R409 PolarHBondContact O-N 3.07Å; R409-H412 PolarHBondContact O-N 3.45Å; R409-L413 VanDerWaalsContact O-CG 3.31Å; R409-L413 WeakPolarHBondContact O-CG 3.42Å; R409-L413 PolarHBondContact O-N 3.45Å |
| 410 | V | 94.8 | Very high | 94.4 | Very high | 73 Ų | 73 | 102.3 Ų | 102.3 | 44% | 0.442 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.3 | -51.6 | 175.3 | 170.8 | 0 | 0 | 0 | 0 | 109.5 | L406 D407 H412 L413 E414 | L406-V410 WeakPolarHBondContact O-CG2 3.28Å; L406-V410 PolarHBondContact O-N 3.02Å; D407-V410 PolarHBondContact O-N 3.39Å; V410-H412 VanDerWaalsContact C-N 3.28Å; V410-H412 PolarHBondContact O-N 2.92Å; V410-L413 CarbonylContact O-C 3.46Å; V410-L413 WeakPolarHBondContact O-CA 3.48Å; V410-L413 WeakPolarHBondContact O-CB 3.3Å; V410-L413 PolarHBondContact O-N 2.9Å; V410-E414 HydrophobicContact CG1-CG 4.24Å; V410-E414 WeakPolarHBondContact O-CG 3.24Å; V410-E414 PolarHBondContact O-N 3.43Å |
| 411 | A | 94.9 | Very high | 94 | Very high | 49 Ų | 49 | 98.5 Ų | 98.5 | 41% | 0.405 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.2 | -39.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D407 L413 Q415 | D407-A411 WeakPolarHBondContact O-CB 3.24Å; D407-A411 PolarHBondContact O-N 2.97Å; A411-L413 VanDerWaalsContact C-N 3.29Å; A411-L413 PolarHBondContact O-N 3.07Å; A411-Q415 VanDerWaalsContact O-CB 3.31Å; A411-Q415 WeakPolarHBondContact O-CB 3.45Å; A411-Q415 PolarHBondContact O-N 3.21Å |
| 412 | H | 94.8 | Very high | 93.9 | Very high | 107 Ų | 107 | 97.8 Ų | 97.8 | 50% | 0.495 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72 | -13.9 | 173.5 | -81.2 | -38.7 | 0 | 0 | 0 | 115.3 | E408 R409 V410 K416 | E408-H412 VanDerWaalsContact O-CB 3.3Å; E408-H412 WeakPolarHBondContact O-CB 3.21Å; E408-H412 PolarHBondContact O-CD2 3.27Å; E408-H412 PolarHBondContact O-N 2.63Å; R409-H412 PolarHBondContact O-N 3.45Å; V410-H412 VanDerWaalsContact C-N 3.28Å; V410-H412 PolarHBondContact O-N 2.92Å; H412-K416 VanDerWaalsContact O-CD 3.24Å; H412-K416 WeakPolarHBondContact O-CD 3.42Å; H412-K416 VanDerWaalsContact O-CE 3.31Å; H412-K416 WeakPolarHBondContact O-CE 3.49Å; H412-K416 WeakPolarHBondContact O-CG 3.45Å; H412-K416 PolarHBondContact O-NZ 2.82Å |
| 413 | L | 95 | Very high | 93.8 | Very high | 105 Ų | 105 | 101.4 Ų | 101.4 | 55% | 0.55 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -90.5 | -45 | 170.2 | -74 | 168.7 | 0 | 0 | 0 | 110.4 | R409 V410 A411 Q415 K416 C417 | R409-L413 VanDerWaalsContact O-CG 3.31Å; R409-L413 WeakPolarHBondContact O-CG 3.42Å; R409-L413 PolarHBondContact O-N 3.45Å; V410-L413 CarbonylContact O-C 3.46Å; V410-L413 WeakPolarHBondContact O-CA 3.48Å; V410-L413 WeakPolarHBondContact O-CB 3.3Å; V410-L413 PolarHBondContact O-N 2.9Å; A411-L413 VanDerWaalsContact C-N 3.29Å; A411-L413 PolarHBondContact O-N 3.07Å; L413-Q415 VanDerWaalsContact C-N 3.33Å; L413-Q415 PolarHBondContact O-N 3.08Å; L413-K416 CarbonylContact O-C 3.54Å; L413-K416 WeakPolarHBondContact O-CA 3.47Å; L413-K416 WeakPolarHBondContact O-CB 3.36Å; L413-K416 PolarHBondContact O-N 2.74Å; L413-C417 PolarHBondContact O-N 3.2Å; L413-C417 PolarHBondContact O-SG 3.47Å; L413-C417 VanDerWaalsContact O-SG 3.41Å |
| 414 | E | 93.6 | Very high | 93.6 | Very high | 112 Ų | 112 | 104 Ų | 104 | 52% | 0.523 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -54.6 | -47.4 | 173 | -69.4 | 174.5 | 159.4 | 0 | 0 | 111.5 | V410 K416 C417 L418 | V410-E414 HydrophobicContact CG1-CG 4.24Å; V410-E414 WeakPolarHBondContact O-CG 3.24Å; V410-E414 PolarHBondContact O-N 3.43Å; E414-K416 PolarHBondContact O-N 2.84Å; E414-C417 WeakPolarHBondContact O-CB 3.5Å; E414-C417 PolarHBondContact O-N 3.07Å; E414-C417 VanDerWaalsContact O-N 3.13Å; E414-L418 WeakPolarHBondContact O-CG 3.35Å; E414-L418 PolarHBondContact O-N 3.12Å |
| 415 | Q | 96.3 | Very high | 93.5 | Very high | 110 Ų | 110 | 99.1 Ų | 99.1 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.8 | -35.7 | 175.1 | -170.7 | -178 | 27.6 | 0 | 0 | 112.5 | A411 L413 L419 | A411-Q415 VanDerWaalsContact O-CB 3.31Å; A411-Q415 WeakPolarHBondContact O-CB 3.45Å; A411-Q415 PolarHBondContact O-N 3.21Å; L413-Q415 VanDerWaalsContact C-N 3.33Å; L413-Q415 PolarHBondContact O-N 3.08Å; Q415-L419 HydrophobicContact CG-CD1 4.37Å; Q415-L419 WeakPolarHBondContact O-CB 3.46Å; Q415-L419 VanDerWaalsContact O-CG 3.26Å; Q415-L419 WeakPolarHBondContact O-CG 3.12Å; Q415-L419 PolarHBondContact O-N 3.3Å; Q415-L419 VanDerWaalsContact O-N 3.08Å |
| 416 | K | 94.4 | Very high | 93.5 | Very high | 127 Ų | 127 | 99.7 Ų | 99.7 | 55% | 0.552 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -75.3 | -36.9 | 176.7 | -70.9 | 168.9 | -170.6 | 147.5 | 0 | 112.2 | H412 L413 E414 L419 S420 | H412-K416 VanDerWaalsContact O-CD 3.24Å; H412-K416 WeakPolarHBondContact O-CD 3.42Å; H412-K416 VanDerWaalsContact O-CE 3.31Å; H412-K416 WeakPolarHBondContact O-CE 3.49Å; H412-K416 WeakPolarHBondContact O-CG 3.45Å; H412-K416 PolarHBondContact O-NZ 2.82Å; L413-K416 CarbonylContact O-C 3.54Å; L413-K416 WeakPolarHBondContact O-CA 3.47Å; L413-K416 WeakPolarHBondContact O-CB 3.36Å; L413-K416 PolarHBondContact O-N 2.74Å; E414-K416 PolarHBondContact O-N 2.84Å; K416-L419 PolarHBondContact O-N 3.42Å; K416-S420 VanDerWaalsContact O-CB 3.28Å; K416-S420 WeakPolarHBondContact O-CB 2.98Å; K416-S420 PolarHBondContact O-N 2.93Å |
| 417 | C | 91.3 | Very high | 93.4 | Very high | 79 Ų | 79 | 97.9 Ų | 97.9 | 53% | 0.534 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 172.9 | -67.7 | 0 | 0 | 0 | 0 | 110.6 | L413 E414 L419 S420 D421 | L413-C417 PolarHBondContact O-N 3.2Å; L413-C417 PolarHBondContact O-SG 3.47Å; L413-C417 VanDerWaalsContact O-SG 3.41Å; E414-C417 WeakPolarHBondContact O-CB 3.5Å; E414-C417 PolarHBondContact O-N 3.07Å; E414-C417 VanDerWaalsContact O-N 3.13Å; C417-L419 PolarHBondContact O-N 3.46Å; C417-S420 PolarHBondContact O-N 3.13Å; C417-D421 WeakPolarHBondContact O-CB 3.35Å; C417-D421 PolarHBondContact O-N 3.03Å |
| 418 | L | 95 | Very high | 93 | Very high | 118 Ų | 118 | 98.2 Ų | 98.2 | 62% | 0.618 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.1 | -47.6 | 175.6 | -70.4 | 170.9 | 0 | 0 | 0 | 112.1 | E414 S420 D421 E422 | E414-L418 WeakPolarHBondContact O-CG 3.35Å; E414-L418 PolarHBondContact O-N 3.12Å; L418-S420 PolarHBondContact O-N 3.24Å; L418-D421 PolarHBondContact O-N 2.92Å; L418-E422 WeakPolarHBondContact O-CB 3.48Å; L418-E422 PolarHBondContact O-N 3.47Å |
| 419 | L | 93.3 | Very high | 92.9 | Very high | 88 Ų | 88 | 97.1 Ų | 97.1 | 46% | 0.461 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 176.1 | -72 | 169.6 | 0 | 0 | 0 | 112.5 | Q415 K416 C417 D421 E422 E423 | Q415-L419 HydrophobicContact CG-CD1 4.37Å; Q415-L419 WeakPolarHBondContact O-CB 3.46Å; Q415-L419 VanDerWaalsContact O-CG 3.26Å; Q415-L419 WeakPolarHBondContact O-CG 3.12Å; Q415-L419 PolarHBondContact O-N 3.3Å; Q415-L419 VanDerWaalsContact O-N 3.08Å; K416-L419 PolarHBondContact O-N 3.42Å; C417-L419 PolarHBondContact O-N 3.46Å; L419-D421 VanDerWaalsContact C-N 3.33Å; L419-D421 PolarHBondContact O-N 3.18Å; L419-E422 WeakPolarHBondContact O-CB 3.44Å; L419-E422 PolarHBondContact O-N 3.08Å; L419-E423 WeakPolarHBondContact O-CG 3.3Å; L419-E423 PolarHBondContact O-N 2.98Å |
| 420 | S | 88.9 | Confident | 92.8 | Very high | 69 Ų | 69 | 96.7 Ų | 96.7 | 48% | 0.483 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.1 | -34 | 176 | -174.5 | 0 | 0 | 0 | 0 | 112.6 | K416 C417 L418 R424 | K416-S420 VanDerWaalsContact O-CB 3.28Å; K416-S420 WeakPolarHBondContact O-CB 2.98Å; K416-S420 PolarHBondContact O-N 2.93Å; C417-S420 PolarHBondContact O-N 3.13Å; L418-S420 PolarHBondContact O-N 3.24Å; S420-R424 VanDerWaalsContact O-CB 3.29Å; S420-R424 WeakPolarHBondContact O-CB 3.27Å; S420-R424 PolarHBondContact O-N 3.15Å |
| 421 | D | 88.6 | Confident | 92.6 | Very high | 80 Ų | 80 | 94.9 Ų | 94.9 | 43% | 0.428 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -79.2 | -32.1 | 176.7 | -85.3 | -21.5 | 0 | 0 | 0 | 112.5 | C417 L418 L419 R424 G425 | C417-D421 WeakPolarHBondContact O-CB 3.35Å; C417-D421 PolarHBondContact O-N 3.03Å; L418-D421 PolarHBondContact O-N 2.92Å; L419-D421 VanDerWaalsContact C-N 3.33Å; L419-D421 PolarHBondContact O-N 3.18Å; D421-R424 VanDerWaalsContact CG-NH2 3.34Å; D421-R424 PolarHBondContact O-N 3.16Å; D421-R424 IonicContact OD1-CZ 2.69Å; D421-R424 IonicContact OD1-NE 2.72Å; D421-R424 PolarHBondContact OD1-NE 3.2Å; D421-R424 IonicContact OD1-NH2 3.35Å; D421-R424 PolarHBondContact OD1-NH2 3.2Å; D421-R424 IonicContact OD2-NH2 3.3Å; D421-G425 PolarHBondContact O-N 3.11Å |
| 422 | E | 93.6 | Very high | 92.5 | Very high | 101 Ų | 101 | 98.9 Ų | 98.9 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 165.5 | -87.3 | -167.2 | -134.3 | 0 | 0 | 111.9 | L418 L419 G425 K426 | L418-E422 WeakPolarHBondContact O-CB 3.48Å; L418-E422 PolarHBondContact O-N 3.47Å; L419-E422 WeakPolarHBondContact O-CB 3.44Å; L419-E422 PolarHBondContact O-N 3.08Å; E422-G425 PolarHBondContact O-N 2.91Å; E422-K426 WeakPolarHBondContact O-CB 3.49Å; E422-K426 VanDerWaalsContact O-CD 3.28Å; E422-K426 WeakPolarHBondContact O-CD 3.46Å; E422-K426 WeakPolarHBondContact O-CG 3.39Å; E422-K426 PolarHBondContact O-N 3.46Å; E422-K426 IonicContact OE2-NZ 3.19Å; E422-K426 PolarHBondContact OE2-NZ 3.43Å |
| 423 | E | 91.4 | Very high | 92.5 | Very high | 135 Ų | 135 | 100 Ų | 100 | 63% | 0.631 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.5 | -42.8 | 176.1 | -75.9 | -179.4 | -178.7 | 0 | 0 | 111.5 | L419 G425 K426 A427 | L419-E423 WeakPolarHBondContact O-CG 3.3Å; L419-E423 PolarHBondContact O-N 2.98Å; E423-G425 PolarHBondContact O-N 2.77Å; E423-K426 PolarHBondContact O-N 2.96Å; E423-A427 WeakPolarHBondContact O-CB 3.38Å; E423-A427 PolarHBondContact O-N 3.09Å |
| 424 | R | 90.6 | Very high | 92.4 | Very high | 153 Ų | 153 | 100.2 Ų | 100.2 | 58% | 0.577 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.7 | -42.8 | 173.6 | -175.8 | 167.2 | 66.6 | 102.4 | -9.6 | 111.9 | S420 D421 Q428 | S420-R424 VanDerWaalsContact O-CB 3.29Å; S420-R424 WeakPolarHBondContact O-CB 3.27Å; S420-R424 PolarHBondContact O-N 3.15Å; D421-R424 VanDerWaalsContact CG-NH2 3.34Å; D421-R424 PolarHBondContact O-N 3.16Å; D421-R424 IonicContact OD1-CZ 2.69Å; D421-R424 IonicContact OD1-NE 2.72Å; D421-R424 PolarHBondContact OD1-NE 3.2Å; D421-R424 IonicContact OD1-NH2 3.35Å; D421-R424 PolarHBondContact OD1-NH2 3.2Å; D421-R424 IonicContact OD2-NH2 3.3Å; R424-Q428 WeakPolarHBondContact O-CB 3.46Å; R424-Q428 PolarHBondContact O-N 3.29Å |
| 425 | G | 94.1 | Very high | 92.3 | Very high | 28 Ų | 28 | 98.2 Ų | 98.2 | 29% | 0.289 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.1 | -48.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D421 E422 E423 A427 Q428 E429 | D421-G425 PolarHBondContact O-N 3.11Å; E422-G425 PolarHBondContact O-N 2.91Å; E423-G425 PolarHBondContact O-N 2.77Å; G425-A427 PolarHBondContact O-N 2.84Å; G425-Q428 PolarHBondContact O-N 2.95Å; G425-Q428 VanDerWaalsContact O-N 3.12Å; G425-E429 PolarHBondContact O-N 3.4Å |
| 426 | K | 94.1 | Very high | 92.2 | Very high | 101 Ų | 101 | 98.7 Ų | 98.7 | 44% | 0.439 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.7 | -45.1 | 176.8 | -69.2 | 157.5 | -164.3 | 166.8 | 0 | 111.5 | E422 E423 Q428 E429 E430 | E422-K426 WeakPolarHBondContact O-CB 3.49Å; E422-K426 VanDerWaalsContact O-CD 3.28Å; E422-K426 WeakPolarHBondContact O-CD 3.46Å; E422-K426 WeakPolarHBondContact O-CG 3.39Å; E422-K426 PolarHBondContact O-N 3.46Å; E422-K426 IonicContact OE2-NZ 3.19Å; E422-K426 PolarHBondContact OE2-NZ 3.43Å; E423-K426 PolarHBondContact O-N 2.96Å; K426-Q428 VanDerWaalsContact C-N 3.32Å; K426-Q428 PolarHBondContact O-N 3.08Å; K426-E429 PolarHBondContact O-N 2.94Å; K426-E430 WeakPolarHBondContact O-CG 3.3Å; K426-E430 PolarHBondContact O-N 3.41Å |
| 427 | A | 90.6 | Very high | 92.2 | Very high | 62 Ų | 62 | 97.1 Ų | 97.1 | 51% | 0.512 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.4 | -36.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | E423 G425 G431 | E423-A427 WeakPolarHBondContact O-CB 3.38Å; E423-A427 PolarHBondContact O-N 3.09Å; G425-A427 PolarHBondContact O-N 2.84Å; A427-G431 PolarHBondContact O-N 2.98Å |
| 428 | Q | 88.5 | Confident | 92.3 | Very high | 105 Ų | 105 | 97.8 Ų | 97.8 | 49% | 0.491 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.5 | -39.7 | 175.5 | -173.8 | 173.6 | -6 | 0 | 0 | 112.2 | R424 G425 K426 G431 F432 | R424-Q428 WeakPolarHBondContact O-CB 3.46Å; R424-Q428 PolarHBondContact O-N 3.29Å; G425-Q428 PolarHBondContact O-N 2.95Å; G425-Q428 VanDerWaalsContact O-N 3.12Å; K426-Q428 VanDerWaalsContact C-N 3.32Å; K426-Q428 PolarHBondContact O-N 3.08Å; Q428-G431 PolarHBondContact O-N 3.03Å; Q428-F432 HydrophobicContact CG-CD2 3.99Å; Q428-F432 HydrophobicContact CG-CE2 3.66Å; Q428-F432 HydrophobicContact CG-CZ 4.47Å; Q428-F432 VanDerWaalsContact O-CD2 3.25Å; Q428-F432 WeakPolarHBondContact O-CD2 3.26Å; Q428-F432 PolarHBondContact O-N 3.01Å |
| 429 | E | 92.6 | Very high | 92.3 | Very high | 97 Ų | 97 | 98.2 Ų | 98.2 | 45% | 0.453 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 171.3 | -74.7 | -174.3 | -169.8 | 0 | 0 | 112.1 | G425 K426 G431 F432 R433 | G425-E429 PolarHBondContact O-N 3.4Å; K426-E429 PolarHBondContact O-N 2.94Å; E429-G431 VanDerWaalsContact C-N 3.3Å; E429-G431 PolarHBondContact O-N 3.49Å; E429-F432 PolarHBondContact O-N 2.9Å; E429-R433 WeakPolarHBondContact O-CB 3.35Å; E429-R433 VanDerWaalsContact O-CG 3.3Å; E429-R433 WeakPolarHBondContact O-CG 3.36Å; E429-R433 PolarHBondContact O-N 3.38Å; E429-R433 IonicContact OE2-CZ 2.69Å; E429-R433 VanDerWaalsContact OE2-CZ 3.26Å; E429-R433 IonicContact OE2-NH1 3.5Å; E429-R433 PolarHBondContact OE2-NH1 2.73Å; E429-R433 VanDerWaalsContact OE2-NH1 3.11Å; E429-R433 IonicContact OE2-NH2 3.53Å; E429-R433 PolarHBondContact OE2-NH2 3.34Å |
| 430 | E | 91.6 | Very high | 92.4 | Very high | 131 Ų | 131 | 98.3 Ų | 98.3 | 61% | 0.612 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.7 | -40.1 | 175.4 | -73.5 | -176.6 | 179.8 | 0 | 0 | 111.5 | K426 R433 K434 | K426-E430 WeakPolarHBondContact O-CG 3.3Å; K426-E430 PolarHBondContact O-N 3.41Å; E430-R433 PolarHBondContact O-N 3.42Å; E430-K434 WeakPolarHBondContact O-CB 3.33Å; E430-K434 PolarHBondContact O-N 3.31Å |
| 431 | G | 91.4 | Very high | 92.7 | Very high | 35 Ų | 35 | 99.9 Ų | 99.9 | 36% | 0.361 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.8 | -48.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A427 Q428 E429 K434 V435 | A427-G431 PolarHBondContact O-N 2.98Å; Q428-G431 PolarHBondContact O-N 3.03Å; E429-G431 VanDerWaalsContact C-N 3.3Å; E429-G431 PolarHBondContact O-N 3.49Å; G431-K434 PolarHBondContact O-N 3.46Å; G431-V435 WeakPolarHBondContact O-CG2 3.42Å; G431-V435 PolarHBondContact O-N 3.43Å |
| 432 | F | 92 | Very high | 92.9 | Very high | 133 Ų | 133 | 100.7 Ų | 100.7 | 58% | 0.583 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.2 | -46.1 | 176.3 | -77.3 | -54.6 | 0 | 0 | 0 | 112.4 | Q428 E429 K434 V435 E436 | Q428-F432 HydrophobicContact CG-CD2 3.99Å; Q428-F432 HydrophobicContact CG-CE2 3.66Å; Q428-F432 HydrophobicContact CG-CZ 4.47Å; Q428-F432 VanDerWaalsContact O-CD2 3.25Å; Q428-F432 WeakPolarHBondContact O-CD2 3.26Å; Q428-F432 PolarHBondContact O-N 3.01Å; E429-F432 PolarHBondContact O-N 2.9Å; F432-K434 VanDerWaalsContact C-N 3.26Å; F432-K434 PolarHBondContact O-N 2.85Å; F432-V435 PolarHBondContact O-N 3.27Å; F432-E436 WeakPolarHBondContact O-CB 3.48Å; F432-E436 PolarHBondContact O-N 3.11Å |
| 433 | R | 94.7 | Very high | 93 | Very high | 130 Ų | 130 | 100.6 Ų | 100.6 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.3 | -39.8 | 174.4 | -71.4 | 170.3 | -176.4 | 129.7 | 12.1 | 111.3 | E429 E430 E436 Q437 | E429-R433 WeakPolarHBondContact O-CB 3.35Å; E429-R433 VanDerWaalsContact O-CG 3.3Å; E429-R433 WeakPolarHBondContact O-CG 3.36Å; E429-R433 PolarHBondContact O-N 3.38Å; E429-R433 IonicContact OE2-CZ 2.69Å; E429-R433 VanDerWaalsContact OE2-CZ 3.26Å; E429-R433 IonicContact OE2-NH1 3.5Å; E429-R433 PolarHBondContact OE2-NH1 2.73Å; E429-R433 VanDerWaalsContact OE2-NH1 3.11Å; E429-R433 IonicContact OE2-NH2 3.53Å; E429-R433 PolarHBondContact OE2-NH2 3.34Å; E430-R433 PolarHBondContact O-N 3.42Å; R433-E436 PolarHBondContact O-N 3.35Å; R433-Q437 VanDerWaalsContact O-CG 3.29Å; R433-Q437 WeakPolarHBondContact O-CG 3.39Å; R433-Q437 PolarHBondContact O-N 2.85Å |
| 434 | K | 94 | Very high | 93.2 | Very high | 111 Ų | 111 | 99 Ų | 99 | 48% | 0.483 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.6 | -42.2 | 176.8 | -161.1 | 75.1 | -156.5 | 154.6 | 0 | 112.3 | E430 G431 F432 E436 Q437 L438 | E430-K434 WeakPolarHBondContact O-CB 3.33Å; E430-K434 PolarHBondContact O-N 3.31Å; G431-K434 PolarHBondContact O-N 3.46Å; F432-K434 VanDerWaalsContact C-N 3.26Å; F432-K434 PolarHBondContact O-N 2.85Å; K434-E436 VanDerWaalsContact C-N 3.33Å; K434-Q437 PolarHBondContact O-N 2.83Å; K434-L438 VanDerWaalsContact O-CG 3.31Å; K434-L438 WeakPolarHBondContact O-CG 3.45Å; K434-L438 PolarHBondContact O-N 3.03Å |
| 435 | V | 92.3 | Very high | 93.3 | Very high | 70 Ų | 70 | 97.2 Ų | 97.2 | 42% | 0.424 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.6 | -37.3 | 174.8 | 168 | 0 | 0 | 0 | 0 | 111.4 | G431 F432 L438 K439 | G431-V435 WeakPolarHBondContact O-CG2 3.42Å; G431-V435 PolarHBondContact O-N 3.43Å; F432-V435 PolarHBondContact O-N 3.27Å; V435-L438 PolarHBondContact O-N 3.36Å; V435-K439 HydrophobicContact CG1-CD 4.22Å; V435-K439 WeakPolarHBondContact O-CB 3.27Å; V435-K439 VanDerWaalsContact O-CG 3.29Å; V435-K439 WeakPolarHBondContact O-CG 3.29Å; V435-K439 PolarHBondContact O-N 2.74Å |
| 436 | E | 93.4 | Very high | 93.3 | Very high | 120 Ų | 120 | 99.9 Ų | 99.9 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.1 | -42.5 | 176.3 | -173 | 166.9 | -134.6 | 0 | 0 | 112.6 | F432 R433 K434 L438 K439 N440 | F432-E436 WeakPolarHBondContact O-CB 3.48Å; F432-E436 PolarHBondContact O-N 3.11Å; R433-E436 PolarHBondContact O-N 3.35Å; K434-E436 VanDerWaalsContact C-N 3.33Å; E436-L438 PolarHBondContact O-N 2.8Å; E436-K439 PolarHBondContact O-N 3.44Å; E436-N440 PolarHBondContact O-N 3.47Å; E436-N440 PolarHBondContact O-ND2 2.91Å |
| 437 | Q | 94.6 | Very high | 93.3 | Very high | 94 Ų | 94 | 98.6 Ų | 98.6 | 44% | 0.439 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -53.9 | -51 | 169.4 | -73.5 | 168.1 | 7.3 | 0 | 0 | 111.2 | R433 K434 K439 N440 E441 | R433-Q437 VanDerWaalsContact O-CG 3.29Å; R433-Q437 WeakPolarHBondContact O-CG 3.39Å; R433-Q437 PolarHBondContact O-N 2.85Å; K434-Q437 PolarHBondContact O-N 2.83Å; Q437-K439 VanDerWaalsContact C-N 3.35Å; Q437-K439 PolarHBondContact O-N 3.45Å; Q437-N440 PolarHBondContact O-N 3.44Å; Q437-N440 VanDerWaalsContact O-N 3.16Å; Q437-E441 WeakPolarHBondContact O-CG 3.42Å; Q437-E441 PolarHBondContact O-N 3.05Å |
| 438 | L | 93.8 | Very high | 93.4 | Very high | 92 Ų | 92 | 98.1 Ų | 98.1 | 48% | 0.482 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65 | -34.1 | 179.8 | -69.9 | 169.2 | 0 | 0 | 0 | 113 | K434 V435 E436 L442 | K434-L438 VanDerWaalsContact O-CG 3.31Å; K434-L438 WeakPolarHBondContact O-CG 3.45Å; K434-L438 PolarHBondContact O-N 3.03Å; V435-L438 PolarHBondContact O-N 3.36Å; E436-L438 PolarHBondContact O-N 2.8Å; L438-L442 VanDerWaalsContact O-CB 3.25Å; L438-L442 WeakPolarHBondContact O-CB 3.47Å; L438-L442 PolarHBondContact O-N 3.23Å |
| 439 | K | 94.5 | Very high | 93.6 | Very high | 127 Ų | 127 | 99.3 Ų | 99.3 | 55% | 0.552 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.4 | -44.6 | 171.4 | -77.8 | 169.4 | 178.8 | 176.1 | 0 | 111.3 | V435 E436 Q437 L442 I443 | V435-K439 HydrophobicContact CG1-CD 4.22Å; V435-K439 WeakPolarHBondContact O-CB 3.27Å; V435-K439 VanDerWaalsContact O-CG 3.29Å; V435-K439 WeakPolarHBondContact O-CG 3.29Å; V435-K439 PolarHBondContact O-N 2.74Å; E436-K439 PolarHBondContact O-N 3.44Å; Q437-K439 VanDerWaalsContact C-N 3.35Å; Q437-K439 PolarHBondContact O-N 3.45Å; K439-L442 PolarHBondContact O-N 3.1Å; K439-I443 VanDerWaalsContact O-CG1 3.29Å; K439-I443 WeakPolarHBondContact O-CG1 3.38Å; K439-I443 PolarHBondContact O-N 3.3Å |
| 440 | N | 94.9 | Very high | 93.7 | Very high | 90 Ų | 90 | 100.1 Ų | 100.1 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67 | -43.3 | 179.1 | -69.2 | -28.3 | 0 | 0 | 0 | 111.7 | E436 Q437 L442 I443 V444 | E436-N440 PolarHBondContact O-N 3.47Å; E436-N440 PolarHBondContact O-ND2 2.91Å; Q437-N440 PolarHBondContact O-N 3.44Å; Q437-N440 VanDerWaalsContact O-N 3.16Å; N440-L442 VanDerWaalsContact C-N 3.34Å; N440-L442 PolarHBondContact O-N 2.9Å; N440-I443 PolarHBondContact O-N 2.9Å; N440-V444 WeakPolarHBondContact O-CG2 3.47Å; N440-V444 PolarHBondContact O-N 3.25Å |
| 441 | E | 95.2 | Very high | 93.8 | Very high | 103 Ų | 103 | 96 Ų | 96 | 48% | 0.481 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.1 | -44.4 | 171.3 | -72.4 | 172.4 | -162.2 | 0 | 0 | 111.6 | Q437 I443 V444 L445 | Q437-E441 WeakPolarHBondContact O-CG 3.42Å; Q437-E441 PolarHBondContact O-N 3.05Å; E441-I443 PolarHBondContact O-N 3.03Å; E441-V444 PolarHBondContact O-N 3.4Å; E441-L445 WeakPolarHBondContact O-CB 3.49Å; E441-L445 VanDerWaalsContact O-CG 3.32Å; E441-L445 WeakPolarHBondContact O-CG 3.5Å; E441-L445 PolarHBondContact O-N 2.88Å |
| 442 | L | 93.7 | Very high | 93.8 | Very high | 97 Ų | 97 | 100.3 Ų | 100.3 | 51% | 0.508 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63 | -39.6 | 176.4 | -179.9 | 62.3 | 0 | 0 | 0 | 112.5 | L438 K439 N440 L445 Q446 | L438-L442 VanDerWaalsContact O-CB 3.25Å; L438-L442 WeakPolarHBondContact O-CB 3.47Å; L438-L442 PolarHBondContact O-N 3.23Å; K439-L442 PolarHBondContact O-N 3.1Å; N440-L442 VanDerWaalsContact C-N 3.34Å; N440-L442 PolarHBondContact O-N 2.9Å; L442-L445 PolarHBondContact O-N 3.1Å; L442-Q446 HydrophobicContact CD1-CG 4.43Å; L442-Q446 WeakPolarHBondContact O-CB 3.14Å; L442-Q446 VanDerWaalsContact O-CG 3.29Å; L442-Q446 WeakPolarHBondContact O-CG 3.41Å; L442-Q446 PolarHBondContact O-N 2.82Å |
| 443 | I | 95.1 | Very high | 93.9 | Very high | 98 Ų | 98 | 101.2 Ų | 101.2 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 175.5 | -71.1 | 162.9 | 0 | 0 | 0 | 110.5 | K439 N440 E441 Q446 Q447 | K439-I443 VanDerWaalsContact O-CG1 3.29Å; K439-I443 WeakPolarHBondContact O-CG1 3.38Å; K439-I443 PolarHBondContact O-N 3.3Å; N440-I443 PolarHBondContact O-N 2.9Å; E441-I443 PolarHBondContact O-N 3.03Å; I443-Q446 PolarHBondContact O-N 2.92Å; I443-Q447 WeakPolarHBondContact O-CB 3.26Å; I443-Q447 PolarHBondContact O-N 3.45Å |
| 444 | V | 95.1 | Very high | 93.9 | Very high | 101 Ų | 101 | 100.5 Ų | 100.5 | 61% | 0.612 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.8 | -44.4 | 176.1 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | N440 E441 Q447 A448 | N440-V444 WeakPolarHBondContact O-CG2 3.47Å; N440-V444 PolarHBondContact O-N 3.25Å; E441-V444 PolarHBondContact O-N 3.4Å; V444-Q447 PolarHBondContact O-N 3.11Å; V444-A448 WeakPolarHBondContact O-CB 3.19Å; V444-A448 PolarHBondContact O-N 3.48Å |
| 445 | L | 93.1 | Very high | 93.9 | Very high | 117 Ų | 117 | 101.7 Ų | 101.7 | 61% | 0.613 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.5 | -39.9 | 176.9 | -72.5 | 170.8 | 0 | 0 | 0 | 112.5 | E441 L442 Q447 K449 | E441-L445 WeakPolarHBondContact O-CB 3.49Å; E441-L445 VanDerWaalsContact O-CG 3.32Å; E441-L445 WeakPolarHBondContact O-CG 3.5Å; E441-L445 PolarHBondContact O-N 2.88Å; L442-L445 PolarHBondContact O-N 3.1Å; L445-Q447 VanDerWaalsContact C-N 3.31Å; L445-Q447 PolarHBondContact O-N 2.88Å; L445-K449 WeakPolarHBondContact O-CB 3.28Å; L445-K449 PolarHBondContact O-N 2.92Å |
| 446 | Q | 93.7 | Very high | 93.8 | Very high | 83 Ų | 83 | 103.6 Ų | 103.6 | 39% | 0.388 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | 171.6 | -76.7 | -176.6 | 25 | 0 | 0 | 111.4 | L442 I443 K449 R450 | L442-Q446 HydrophobicContact CD1-CG 4.43Å; L442-Q446 WeakPolarHBondContact O-CB 3.14Å; L442-Q446 VanDerWaalsContact O-CG 3.29Å; L442-Q446 WeakPolarHBondContact O-CG 3.41Å; L442-Q446 PolarHBondContact O-N 2.82Å; I443-Q446 PolarHBondContact O-N 2.92Å; Q446-K449 PolarHBondContact O-N 2.91Å; Q446-R450 WeakPolarHBondContact O-CG 3.47Å; Q446-R450 PolarHBondContact O-N 3.44Å |
| 447 | Q | 93.7 | Very high | 93.8 | Very high | 75 Ų | 75 | 102 Ų | 102 | 35% | 0.35 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.5 | -45.1 | 179.7 | -172.8 | 53.6 | 32.4 | 0 | 0 | 111.9 | I443 V444 L445 K449 R450 D451 | I443-Q447 WeakPolarHBondContact O-CB 3.26Å; I443-Q447 PolarHBondContact O-N 3.45Å; V444-Q447 PolarHBondContact O-N 3.11Å; L445-Q447 VanDerWaalsContact C-N 3.31Å; L445-Q447 PolarHBondContact O-N 2.88Å; Q447-K449 VanDerWaalsContact C-N 3.27Å; Q447-K449 PolarHBondContact O-N 3.23Å; Q447-R450 WeakPolarHBondContact O-CB 3.49Å; Q447-R450 PolarHBondContact O-N 3.19Å; Q447-D451 VanDerWaalsContact NE2-CG 3.28Å; Q447-D451 PolarHBondContact NE2-OD1 2.69Å; Q447-D451 VanDerWaalsContact NE2-OD1 3.17Å; Q447-D451 PolarHBondContact NE2-OD2 3.12Å; Q447-D451 PolarHBondContact O-N 3.17Å |
| 448 | A | 93.6 | Very high | 93.7 | Very high | 51 Ų | 51 | 102.6 Ų | 102.6 | 42% | 0.421 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -54.3 | -44.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | V444 R450 D451 E452 | V444-A448 WeakPolarHBondContact O-CB 3.19Å; V444-A448 PolarHBondContact O-N 3.48Å; A448-R450 PolarHBondContact O-N 3.02Å; A448-D451 PolarHBondContact O-N 2.77Å; A448-E452 VanDerWaalsContact O-CB 3.32Å; A448-E452 WeakPolarHBondContact O-CB 3.46Å; A448-E452 PolarHBondContact O-N 3.41Å |
| 449 | K | 93 | Very high | 93.7 | Very high | 130 Ų | 130 | 102.4 Ų | 102.4 | 57% | 0.565 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.5 | -32.5 | 175.7 | -173.3 | 173.1 | -176.1 | 172.3 | 0 | 113.7 | L445 Q446 Q447 R453 | L445-K449 WeakPolarHBondContact O-CB 3.28Å; L445-K449 PolarHBondContact O-N 2.92Å; Q446-K449 PolarHBondContact O-N 2.91Å; Q447-K449 VanDerWaalsContact C-N 3.27Å; Q447-K449 PolarHBondContact O-N 3.23Å; K449-R453 WeakPolarHBondContact O-CB 3.26Å; K449-R453 VanDerWaalsContact O-CG 3.29Å; K449-R453 WeakPolarHBondContact O-CG 3.34Å; K449-R453 PolarHBondContact O-N 3.5Å |
| 450 | R | 94.1 | Very high | 93.5 | Very high | 114 Ų | 114 | 101.2 Ų | 101.2 | 43% | 0.43 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.2 | -43.9 | 171.9 | -72.4 | 176.8 | -165.8 | 103.9 | 9.6 | 111.1 | Q446 Q447 A448 R453 K454 | Q446-R450 WeakPolarHBondContact O-CG 3.47Å; Q446-R450 PolarHBondContact O-N 3.44Å; Q447-R450 WeakPolarHBondContact O-CB 3.49Å; Q447-R450 PolarHBondContact O-N 3.19Å; A448-R450 PolarHBondContact O-N 3.02Å; R450-R453 PolarHBondContact O-N 3.38Å; R450-K454 WeakPolarHBondContact O-CG 3.48Å; R450-K454 PolarHBondContact O-N 3.27Å; R450-K454 VanDerWaalsContact O-N 3.08Å |
| 451 | D | 93.4 | Very high | 93.4 | Very high | 45 Ų | 45 | 102.6 Ų | 102.6 | 24% | 0.241 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -75.8 | -29.6 | -177.3 | -64.5 | -35.3 | 0 | 0 | 0 | 112.6 | Q447 A448 K454 R455 | Q447-D451 VanDerWaalsContact NE2-CG 3.28Å; Q447-D451 PolarHBondContact NE2-OD1 2.69Å; Q447-D451 VanDerWaalsContact NE2-OD1 3.17Å; Q447-D451 PolarHBondContact NE2-OD2 3.12Å; Q447-D451 PolarHBondContact O-N 3.17Å; A448-D451 PolarHBondContact O-N 2.77Å; D451-K454 WeakPolarHBondContact O-CB 3.32Å; D451-K454 PolarHBondContact O-N 3.44Å; D451-K454 WeakPolarHBondContact OD1-CE 3.46Å; D451-K454 IonicContact OD1-NZ 3.54Å; D451-K454 PolarHBondContact OD1-NZ 2.85Å; D451-R455 WeakPolarHBondContact O-CG 3.33Å; D451-R455 PolarHBondContact O-N 3.21Å; D451-R455 VanDerWaalsContact O-N 3.1Å |
| 452 | E | 91.6 | Very high | 93.3 | Very high | 125 Ų | 125 | 103.1 Ų | 103.1 | 58% | 0.584 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.6 | -39.3 | 169.9 | -170.1 | 149.4 | -115.4 | 0 | 0 | 112.2 | A448 K454 R455 Q456 | A448-E452 VanDerWaalsContact O-CB 3.32Å; A448-E452 WeakPolarHBondContact O-CB 3.46Å; A448-E452 PolarHBondContact O-N 3.41Å; E452-K454 VanDerWaalsContact C-N 3.33Å; E452-K454 PolarHBondContact O-N 3.45Å; E452-R455 PolarHBondContact O-N 3.24Å; E452-Q456 PolarHBondContact O-N 3.03Å |
| 453 | R | 94.4 | Very high | 93.1 | Very high | 152 Ų | 152 | 104.6 Ų | 104.6 | 57% | 0.574 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.2 | -38.6 | 169.2 | -79 | 171 | 166 | -171.5 | -7.6 | 112.9 | K449 R450 Q456 I457 | K449-R453 WeakPolarHBondContact O-CB 3.26Å; K449-R453 VanDerWaalsContact O-CG 3.29Å; K449-R453 WeakPolarHBondContact O-CG 3.34Å; K449-R453 PolarHBondContact O-N 3.5Å; R450-R453 PolarHBondContact O-N 3.38Å; R453-Q456 PolarHBondContact O-N 2.94Å; R453-I457 WeakPolarHBondContact O-CG1 3.13Å; R453-I457 PolarHBondContact O-N 3.18Å |
| 454 | K | 94.4 | Very high | 93.1 | Very high | 116 Ų | 116 | 102.9 Ų | 102.9 | 50% | 0.504 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 173.6 | -67.8 | 171.6 | -168.6 | 164.2 | 0 | 111.3 | R450 D451 E452 Q456 I457 Q458 | R450-K454 WeakPolarHBondContact O-CG 3.48Å; R450-K454 PolarHBondContact O-N 3.27Å; R450-K454 VanDerWaalsContact O-N 3.08Å; D451-K454 WeakPolarHBondContact O-CB 3.32Å; D451-K454 PolarHBondContact O-N 3.44Å; D451-K454 WeakPolarHBondContact OD1-CE 3.46Å; D451-K454 IonicContact OD1-NZ 3.54Å; D451-K454 PolarHBondContact OD1-NZ 2.85Å; E452-K454 VanDerWaalsContact C-N 3.33Å; E452-K454 PolarHBondContact O-N 3.45Å; K454-Q456 VanDerWaalsContact C-N 3.34Å; K454-Q456 PolarHBondContact O-N 3.39Å; K454-I457 PolarHBondContact O-N 3.41Å; K454-Q458 VanDerWaalsContact O-CG 3.32Å; K454-Q458 WeakPolarHBondContact O-CG 3.45Å; K454-Q458 PolarHBondContact O-N 2.63Å |
| 455 | R | 94.2 | Very high | 92.9 | Very high | 135 Ų | 135 | 100.4 Ų | 100.4 | 51% | 0.509 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 175.8 | -66.7 | 178.6 | -155.2 | 115.7 | 10.7 | 112.1 | D451 E452 Q458 L459 | D451-R455 WeakPolarHBondContact O-CG 3.33Å; D451-R455 PolarHBondContact O-N 3.21Å; D451-R455 VanDerWaalsContact O-N 3.1Å; E452-R455 PolarHBondContact O-N 3.24Å; R455-Q458 PolarHBondContact O-N 2.79Å; R455-L459 WeakPolarHBondContact O-CB 3.49Å; R455-L459 VanDerWaalsContact O-CG 3.31Å; R455-L459 WeakPolarHBondContact O-CG 3.3Å; R455-L459 PolarHBondContact O-N 3.02Å |
| 456 | Q | 89.8 | Confident | 92.9 | Very high | 110 Ų | 110 | 100.4 Ų | 100.4 | 51% | 0.514 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.7 | -48.6 | 175.1 | -177.7 | -178.8 | -14.6 | 0 | 0 | 111 | E452 R453 K454 Q458 L459 E460 | E452-Q456 PolarHBondContact O-N 3.03Å; R453-Q456 PolarHBondContact O-N 2.94Å; K454-Q456 VanDerWaalsContact C-N 3.34Å; K454-Q456 PolarHBondContact O-N 3.39Å; Q456-Q458 VanDerWaalsContact C-N 3.31Å; Q456-Q458 PolarHBondContact O-N 2.99Å; Q456-L459 PolarHBondContact O-N 3.12Å; Q456-E460 HydrophobicContact CG-CG 4.44Å; Q456-E460 VanDerWaalsContact CG-OE1 3.3Å; Q456-E460 WeakPolarHBondContact CG-OE1 3.44Å; Q456-E460 PolarHBondContact NE2-OE1 3.01Å; Q456-E460 WeakPolarHBondContact O-CB 3.38Å; Q456-E460 WeakPolarHBondContact O-CG 3.25Å; Q456-E460 PolarHBondContact O-N 3.3Å |
| 457 | I | 93.8 | Very high | 92.8 | Very high | 88 Ų | 88 | 99.2 Ų | 99.2 | 45% | 0.451 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.6 | -38.9 | 177.4 | -67 | 163.2 | 0 | 0 | 0 | 111.4 | R453 K454 E460 Q461 | R453-I457 WeakPolarHBondContact O-CG1 3.13Å; R453-I457 PolarHBondContact O-N 3.18Å; K454-I457 PolarHBondContact O-N 3.41Å; I457-E460 PolarHBondContact O-N 3.04Å; I457-Q461 WeakPolarHBondContact O-CB 3.41Å; I457-Q461 VanDerWaalsContact O-CG 3.26Å; I457-Q461 WeakPolarHBondContact O-CG 3.31Å; I457-Q461 PolarHBondContact O-N 3.35Å |
| 458 | Q | 93.1 | Very high | 92.8 | Very high | 105 Ų | 105 | 101.1 Ų | 101.1 | 49% | 0.491 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 175.2 | -72.6 | 172.3 | -49.5 | 0 | 0 | 111.9 | K454 R455 Q456 Q461 E462 | K454-Q458 VanDerWaalsContact O-CG 3.32Å; K454-Q458 WeakPolarHBondContact O-CG 3.45Å; K454-Q458 PolarHBondContact O-N 2.63Å; R455-Q458 PolarHBondContact O-N 2.79Å; Q456-Q458 VanDerWaalsContact C-N 3.31Å; Q456-Q458 PolarHBondContact O-N 2.99Å; Q458-Q461 WeakPolarHBondContact O-CB 3.41Å; Q458-Q461 PolarHBondContact O-N 3.07Å; Q458-E462 WeakPolarHBondContact O-CG 3.39Å; Q458-E462 PolarHBondContact O-N 3.43Å |
| 459 | L | 92.8 | Very high | 92.6 | Very high | 89 Ų | 89 | 103.4 Ų | 103.4 | 47% | 0.466 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.1 | -37.1 | 176 | -70.7 | 167.2 | 0 | 0 | 0 | 112.1 | R455 Q456 Q461 E462 H463 | R455-L459 WeakPolarHBondContact O-CB 3.49Å; R455-L459 VanDerWaalsContact O-CG 3.31Å; R455-L459 WeakPolarHBondContact O-CG 3.3Å; R455-L459 PolarHBondContact O-N 3.02Å; Q456-L459 PolarHBondContact O-N 3.12Å; L459-Q461 VanDerWaalsContact C-N 3.34Å; L459-E462 PolarHBondContact O-N 3.44Å; L459-H463 VanDerWaalsContact O-CB 3.31Å; L459-H463 WeakPolarHBondContact O-CB 3.43Å; L459-H463 PolarHBondContact O-CD2 3.06Å; L459-H463 PolarHBondContact O-N 3.34Å |
| 460 | E | 91.8 | Very high | 92.6 | Very high | 102 Ų | 102 | 101.2 Ų | 101.2 | 48% | 0.477 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 173.4 | -74.1 | 167.1 | -179.5 | 0 | 0 | 111.3 | Q456 I457 S464 | Q456-E460 HydrophobicContact CG-CG 4.44Å; Q456-E460 VanDerWaalsContact CG-OE1 3.3Å; Q456-E460 WeakPolarHBondContact CG-OE1 3.44Å; Q456-E460 PolarHBondContact NE2-OE1 3.01Å; Q456-E460 WeakPolarHBondContact O-CB 3.38Å; Q456-E460 WeakPolarHBondContact O-CG 3.25Å; Q456-E460 PolarHBondContact O-N 3.3Å; I457-E460 PolarHBondContact O-N 3.04Å; E460-S464 PolarHBondContact O-N 3.37Å; E460-S464 PolarHBondContact O-OG 3.47Å |
| 461 | Q | 92.7 | Very high | 92.5 | Very high | 118 Ų | 118 | 98.4 Ų | 98.4 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66 | -47.8 | 173 | -74.4 | 171 | -11.5 | 0 | 0 | 112 | I457 Q458 L459 H463 S464 A465 | I457-Q461 WeakPolarHBondContact O-CB 3.41Å; I457-Q461 VanDerWaalsContact O-CG 3.26Å; I457-Q461 WeakPolarHBondContact O-CG 3.31Å; I457-Q461 PolarHBondContact O-N 3.35Å; Q458-Q461 WeakPolarHBondContact O-CB 3.41Å; Q458-Q461 PolarHBondContact O-N 3.07Å; L459-Q461 VanDerWaalsContact C-N 3.34Å; Q461-H463 VanDerWaalsContact C-N 3.33Å; Q461-H463 PolarHBondContact O-N 3.17Å; Q461-S464 PolarHBondContact O-N 3.31Å; Q461-S464 VanDerWaalsContact O-N 3.15Å; Q461-S464 PolarHBondContact O-OG 3.49Å; Q461-A465 PolarHBondContact O-N 3.08Å |
| 462 | E | 92.1 | Very high | 92.5 | Very high | 114 Ų | 114 | 100.8 Ų | 100.8 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.6 | -42.8 | 174.8 | -73.7 | 172.2 | -168.9 | 0 | 0 | 111.6 | Q458 L459 A465 L466 | Q458-E462 WeakPolarHBondContact O-CG 3.39Å; Q458-E462 PolarHBondContact O-N 3.43Å; L459-E462 PolarHBondContact O-N 3.44Å; E462-A465 PolarHBondContact O-N 3.26Å; E462-L466 WeakPolarHBondContact O-CB 3.21Å; E462-L466 VanDerWaalsContact O-CG 3.3Å; E462-L466 WeakPolarHBondContact O-CG 3.49Å; E462-L466 PolarHBondContact O-N 2.85Å |
| 463 | H | 90.5 | Very high | 92.3 | Very high | 129 Ų | 129 | 100.7 Ų | 100.7 | 60% | 0.597 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.4 | -37.6 | 174.6 | -78.9 | -50.7 | 0 | 0 | 0 | 113 | L459 Q461 A467 | L459-H463 VanDerWaalsContact O-CB 3.31Å; L459-H463 WeakPolarHBondContact O-CB 3.43Å; L459-H463 PolarHBondContact O-CD2 3.06Å; L459-H463 PolarHBondContact O-N 3.34Å; Q461-H463 VanDerWaalsContact C-N 3.33Å; Q461-H463 PolarHBondContact O-N 3.17Å; H463-A467 WeakPolarHBondContact O-CB 3.42Å; H463-A467 PolarHBondContact O-N 3.29Å |
| 464 | S | 93.5 | Very high | 92.2 | Very high | 61 Ų | 61 | 99.1 Ų | 99.1 | 43% | 0.427 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.9 | -42.7 | 175.1 | 67.1 | 0 | 0 | 0 | 0 | 112.3 | E460 Q461 A467 E468 | E460-S464 PolarHBondContact O-N 3.37Å; E460-S464 PolarHBondContact O-OG 3.47Å; Q461-S464 PolarHBondContact O-N 3.31Å; Q461-S464 VanDerWaalsContact O-N 3.15Å; Q461-S464 PolarHBondContact O-OG 3.49Å; S464-A467 WeakPolarHBondContact O-CB 3.42Å; S464-A467 PolarHBondContact O-N 3.04Å; S464-E468 PolarHBondContact O-N 3.25Å |
| 465 | A | 93 | Very high | 92.1 | Very high | 49 Ų | 49 | 96.4 Ų | 96.4 | 41% | 0.405 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q461 E462 A467 E468 E469 | Q461-A465 PolarHBondContact O-N 3.08Å; E462-A465 PolarHBondContact O-N 3.26Å; A465-A467 VanDerWaalsContact C-N 3.29Å; A465-A467 PolarHBondContact O-N 2.83Å; A465-E468 PolarHBondContact O-N 2.97Å; A465-E469 PolarHBondContact O-N 2.86Å |
| 466 | L | 92.1 | Very high | 92 | Very high | 117 Ų | 117 | 95.4 Ų | 95.4 | 61% | 0.613 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.6 | -32 | 175.1 | -71.4 | 169.7 | 0 | 0 | 0 | 112.6 | E462 L470 | E462-L466 WeakPolarHBondContact O-CB 3.21Å; E462-L466 VanDerWaalsContact O-CG 3.3Å; E462-L466 WeakPolarHBondContact O-CG 3.49Å; E462-L466 PolarHBondContact O-N 2.85Å; L466-L470 VanDerWaalsContact O-CB 3.28Å; L466-L470 WeakPolarHBondContact O-CB 3.45Å; L466-L470 PolarHBondContact O-N 3.16Å |
| 467 | A | 92.2 | Very high | 92.1 | Very high | 58 Ų | 58 | 94.2 Ų | 94.2 | 48% | 0.479 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.1 | -35.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | H463 S464 A465 A471 | H463-A467 WeakPolarHBondContact O-CB 3.42Å; H463-A467 PolarHBondContact O-N 3.29Å; S464-A467 WeakPolarHBondContact O-CB 3.42Å; S464-A467 PolarHBondContact O-N 3.04Å; A465-A467 VanDerWaalsContact C-N 3.29Å; A465-A467 PolarHBondContact O-N 2.83Å; A467-A471 WeakPolarHBondContact O-CB 3.43Å; A467-A471 PolarHBondContact O-N 3.28Å |
| 468 | E | 92.4 | Very high | 92 | Very high | 116 Ų | 116 | 94.8 Ų | 94.8 | 54% | 0.542 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.5 | -45.4 | 171.9 | -74.6 | -175.5 | -163.4 | 0 | 0 | 112.3 | S464 A465 A471 K472 | S464-E468 PolarHBondContact O-N 3.25Å; A465-E468 PolarHBondContact O-N 2.97Å; E468-A471 WeakPolarHBondContact O-CB 3.28Å; E468-A471 PolarHBondContact O-N 3.06Å; E468-A471 VanDerWaalsContact O-N 3.14Å; E468-K472 WeakPolarHBondContact O-CG 3.41Å; E468-K472 PolarHBondContact O-N 3.44Å |
| 469 | E | 90.8 | Very high | 92 | Very high | 99 Ų | 99 | 93 Ų | 93 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 175 | -64.9 | -49.4 | 136.9 | 0 | 0 | 111.4 | A465 A471 K472 E473 | A465-E469 PolarHBondContact O-N 2.86Å; E469-A471 PolarHBondContact O-N 2.89Å; E469-K472 WeakPolarHBondContact O-CB 3.49Å; E469-K472 PolarHBondContact O-N 2.9Å; E469-K472 VanDerWaalsContact O-N 3.07Å; E469-K472 IonicContact OE1-NZ 2.65Å; E469-K472 PolarHBondContact OE1-NZ 2.66Å; E469-K472 WeakPolarHBondContact OE2-CD 3.24Å; E469-K472 IonicContact OE2-NZ 3.63Å; E469-E473 PolarHBondContact O-N 2.92Å |
| 470 | L | 91.9 | Very high | 91.9 | Very high | 83 Ų | 83 | 93.9 Ų | 93.9 | 44% | 0.435 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.4 | -27.8 | 174.5 | -178 | 62.7 | 0 | 0 | 0 | 112.9 | L466 K474 | L466-L470 VanDerWaalsContact O-CB 3.28Å; L466-L470 WeakPolarHBondContact O-CB 3.45Å; L466-L470 PolarHBondContact O-N 3.16Å; L470-K474 WeakPolarHBondContact O-CD 3.48Å; L470-K474 VanDerWaalsContact O-CG 3.24Å; L470-K474 WeakPolarHBondContact O-CG 3.31Å; L470-K474 PolarHBondContact O-N 2.76Å |
| 471 | A | 92.2 | Very high | 91.9 | Very high | 56 Ų | 56 | 92 Ų | 92 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -74.9 | -37.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | A467 E468 E469 K474 A475 | A467-A471 WeakPolarHBondContact O-CB 3.43Å; A467-A471 PolarHBondContact O-N 3.28Å; E468-A471 WeakPolarHBondContact O-CB 3.28Å; E468-A471 PolarHBondContact O-N 3.06Å; E468-A471 VanDerWaalsContact O-N 3.14Å; E469-A471 PolarHBondContact O-N 2.89Å; A471-K474 PolarHBondContact O-N 3.02Å; A471-A475 PolarHBondContact O-N 3.42Å |
| 472 | K | 92.7 | Very high | 91.8 | Very high | 94 Ų | 94 | 90.4 Ų | 90.4 | 41% | 0.409 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65 | -45.5 | 173 | -64.6 | 163.6 | -157.7 | 170.1 | 0 | 111 | E468 E469 K474 A475 L476 | E468-K472 WeakPolarHBondContact O-CG 3.41Å; E468-K472 PolarHBondContact O-N 3.44Å; E469-K472 WeakPolarHBondContact O-CB 3.49Å; E469-K472 PolarHBondContact O-N 2.9Å; E469-K472 VanDerWaalsContact O-N 3.07Å; E469-K472 IonicContact OE1-NZ 2.65Å; E469-K472 PolarHBondContact OE1-NZ 2.66Å; E469-K472 WeakPolarHBondContact OE2-CD 3.24Å; E469-K472 IonicContact OE2-NZ 3.63Å; K472-K474 VanDerWaalsContact C-N 3.33Å; K472-K474 PolarHBondContact O-N 3.32Å; K472-A475 PolarHBondContact O-N 2.88Å; K472-L476 WeakPolarHBondContact O-CG 3.27Å; K472-L476 PolarHBondContact O-N 3.09Å |
| 473 | E | 89.1 | Confident | 91.8 | Very high | 124 Ų | 124 | 89.5 Ų | 89.5 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -57.6 | -44.1 | 174.5 | -74.1 | -172.5 | 154.5 | 0 | 0 | 111.7 | E469 L476 V477 | E469-E473 PolarHBondContact O-N 2.92Å; E473-L476 PolarHBondContact O-N 3.34Å; E473-V477 WeakPolarHBondContact O-CG2 3.37Å; E473-V477 PolarHBondContact O-N 2.87Å |
| 474 | K | 92.2 | Very high | 91.7 | Very high | 119 Ų | 119 | 86.7 Ų | 86.7 | 52% | 0.517 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.7 | -49 | 174.8 | -75.8 | 166.9 | -174.9 | 169.2 | 0 | 112.1 | L470 A471 K472 L476 V477 D478 | L470-K474 WeakPolarHBondContact O-CD 3.48Å; L470-K474 VanDerWaalsContact O-CG 3.24Å; L470-K474 WeakPolarHBondContact O-CG 3.31Å; L470-K474 PolarHBondContact O-N 2.76Å; A471-K474 PolarHBondContact O-N 3.02Å; K472-K474 VanDerWaalsContact C-N 3.33Å; K472-K474 PolarHBondContact O-N 3.32Å; K474-L476 PolarHBondContact O-N 3.48Å; K474-V477 CarbonylContact O-C 3.55Å; K474-V477 PolarHBondContact O-N 3.39Å; K474-D478 WeakPolarHBondContact O-CB 3.36Å; K474-D478 PolarHBondContact O-N 3.06Å |
| 475 | A | 92.2 | Very high | 91.5 | Very high | 59 Ų | 59 | 88.4 Ų | 88.4 | 49% | 0.488 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.5 | -34 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | A471 K472 S479 | A471-A475 PolarHBondContact O-N 3.42Å; K472-A475 PolarHBondContact O-N 2.88Å; A475-S479 VanDerWaalsContact O-CB 3.32Å; A475-S479 WeakPolarHBondContact O-CB 3.46Å; A475-S479 PolarHBondContact O-N 2.95Å |
| 476 | L | 92.4 | Very high | 91.3 | Very high | 113 Ų | 113 | 88.6 Ų | 88.6 | 59% | 0.592 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68.9 | -42.2 | 172 | -71.3 | 169.7 | 0 | 0 | 0 | 112.1 | K472 E473 K474 S479 L480 | K472-L476 WeakPolarHBondContact O-CG 3.27Å; K472-L476 PolarHBondContact O-N 3.09Å; E473-L476 PolarHBondContact O-N 3.34Å; K474-L476 PolarHBondContact O-N 3.48Å; L476-S479 PolarHBondContact O-N 3.44Å; L476-L480 WeakPolarHBondContact O-CB 3.28Å; L476-L480 VanDerWaalsContact O-CG 3.25Å; L476-L480 WeakPolarHBondContact O-CG 3.3Å; L476-L480 PolarHBondContact O-N 3.23Å |
| 477 | V | 91.4 | Very high | 91 | Very high | 85 Ų | 85 | 88.9 Ų | 88.9 | 52% | 0.515 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.7 | -41 | 174.9 | 168.4 | 0 | 0 | 0 | 0 | 111.6 | E473 K474 L480 T481 | E473-V477 WeakPolarHBondContact O-CG2 3.37Å; E473-V477 PolarHBondContact O-N 2.87Å; K474-V477 CarbonylContact O-C 3.55Å; K474-V477 PolarHBondContact O-N 3.39Å; V477-L480 PolarHBondContact O-N 2.65Å; V477-T481 WeakPolarHBondContact O-CB 3.36Å; V477-T481 PolarHBondContact O-N 3.37Å; V477-T481 PolarHBondContact O-OG1 3.07Å |
| 478 | D | 91.5 | Very high | 90.7 | Very high | 101 Ų | 101 | 93.2 Ų | 93.2 | 54% | 0.54 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64 | -46.1 | 175.8 | -64.3 | -29.3 | 0 | 0 | 0 | 110.1 | K474 L480 T481 V482 | K474-D478 WeakPolarHBondContact O-CB 3.36Å; K474-D478 PolarHBondContact O-N 3.06Å; D478-L480 PolarHBondContact O-N 2.92Å; D478-T481 WeakPolarHBondContact O-CB 3.2Å; D478-T481 PolarHBondContact O-N 3.4Å; D478-V482 WeakPolarHBondContact O-CG2 3.33Å; D478-V482 PolarHBondContact O-N 3.46Å |
| 479 | S | 92.6 | Very high | 90.6 | Very high | 68 Ų | 68 | 94 Ų | 94 | 48% | 0.476 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.4 | -37.3 | 175.5 | -173.2 | 0 | 0 | 0 | 0 | 113.3 | A475 L476 L483 | A475-S479 VanDerWaalsContact O-CB 3.32Å; A475-S479 WeakPolarHBondContact O-CB 3.46Å; A475-S479 PolarHBondContact O-N 2.95Å; L476-S479 PolarHBondContact O-N 3.44Å; S479-L483 WeakPolarHBondContact O-CG 3.31Å; S479-L483 PolarHBondContact O-N 3.15Å; S479-L483 VanDerWaalsContact O-N 3.1Å |
| 480 | L | 90.2 | Very high | 90.4 | Very high | 106 Ų | 106 | 94.7 Ų | 94.7 | 56% | 0.555 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -71.2 | -32.3 | 174.2 | -75.4 | 168.8 | 0 | 0 | 0 | 111.9 | L476 V477 D478 L483 V484 | L476-L480 WeakPolarHBondContact O-CB 3.28Å; L476-L480 VanDerWaalsContact O-CG 3.25Å; L476-L480 WeakPolarHBondContact O-CG 3.3Å; L476-L480 PolarHBondContact O-N 3.23Å; V477-L480 PolarHBondContact O-N 2.65Å; D478-L480 PolarHBondContact O-N 2.92Å; L480-L483 PolarHBondContact O-N 3.31Å; L480-V484 WeakPolarHBondContact O-CB 3.41Å; L480-V484 VanDerWaalsContact O-CG2 3.3Å; L480-V484 WeakPolarHBondContact O-CG2 3.36Å; L480-V484 PolarHBondContact O-N 3.15Å |
| 481 | T | 91.6 | Very high | 90 | Very high | 64 Ų | 64 | 93.9 Ų | 93.9 | 39% | 0.393 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.1 | -46.7 | 175 | -58.1 | 0 | 0 | 0 | 0 | 110 | V477 D478 L483 V484 E485 | V477-T481 WeakPolarHBondContact O-CB 3.36Å; V477-T481 PolarHBondContact O-N 3.37Å; V477-T481 PolarHBondContact O-OG1 3.07Å; D478-T481 WeakPolarHBondContact O-CB 3.2Å; D478-T481 PolarHBondContact O-N 3.4Å; T481-L483 PolarHBondContact O-N 3.27Å; T481-V484 CarbonylContact O-C 3.52Å; T481-V484 PolarHBondContact O-N 3.08Å; T481-E485 WeakPolarHBondContact O-CG 3.41Å; T481-E485 PolarHBondContact O-N 2.97Å |
| 482 | V | 91.8 | Very high | 89.8 | Confident | 84 Ų | 84 | 97.6 Ų | 97.6 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.2 | -43.9 | 174.3 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | D478 V484 E485 T486 | D478-V482 WeakPolarHBondContact O-CG2 3.33Å; D478-V482 PolarHBondContact O-N 3.46Å; V482-V484 PolarHBondContact O-N 2.79Å; V482-E485 PolarHBondContact O-N 2.95Å; V482-E485 VanDerWaalsContact O-N 3.14Å; V482-T486 PolarHBondContact O-N 3.32Å; V482-T486 PolarHBondContact O-OG1 2.89Å |
| 483 | L | 91 | Very high | 89.5 | Confident | 94 Ų | 94 | 96.6 Ų | 96.6 | 49% | 0.492 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.9 | -39.1 | 176.1 | -75.3 | 167.4 | 0 | 0 | 0 | 112.8 | S479 L480 T481 E485 T486 E487 | S479-L483 WeakPolarHBondContact O-CG 3.31Å; S479-L483 PolarHBondContact O-N 3.15Å; S479-L483 VanDerWaalsContact O-N 3.1Å; L480-L483 PolarHBondContact O-N 3.31Å; T481-L483 PolarHBondContact O-N 3.27Å; L483-E485 VanDerWaalsContact C-N 3.29Å; L483-E485 PolarHBondContact O-N 3.17Å; L483-T486 WeakPolarHBondContact CA-OG1 3.48Å; L483-T486 PolarHBondContact O-N 3.13Å; L483-T486 PolarHBondContact O-OG1 3.46Å; L483-E487 WeakPolarHBondContact O-CB 3.46Å; L483-E487 WeakPolarHBondContact O-CG 3.44Å; L483-E487 PolarHBondContact O-N 3.43Å |
| 484 | V | 89.1 | Confident | 89.3 | Confident | 70 Ų | 70 | 95.8 Ų | 95.8 | 42% | 0.424 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.9 | -26.9 | 174.8 | 167.7 | 0 | 0 | 0 | 0 | 111.9 | L480 T481 V482 R488 | L480-V484 WeakPolarHBondContact O-CB 3.41Å; L480-V484 VanDerWaalsContact O-CG2 3.3Å; L480-V484 WeakPolarHBondContact O-CG2 3.36Å; L480-V484 PolarHBondContact O-N 3.15Å; T481-V484 CarbonylContact O-C 3.52Å; T481-V484 PolarHBondContact O-N 3.08Å; V482-V484 PolarHBondContact O-N 2.79Å; V484-R488 WeakPolarHBondContact O-CB 3.22Å; V484-R488 WeakPolarHBondContact O-CD 3.33Å; V484-R488 WeakPolarHBondContact O-CG 3.37Å; V484-R488 PolarHBondContact O-N 2.98Å |
| 485 | E | 89.3 | Confident | 88.8 | Confident | 98 Ų | 98 | 95.2 Ų | 95.2 | 46% | 0.458 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -75.6 | -43.5 | 172.7 | -73.1 | 174.4 | 162.8 | 0 | 0 | 111.3 | T481 V482 L483 R488 E489 | T481-E485 WeakPolarHBondContact O-CG 3.41Å; T481-E485 PolarHBondContact O-N 2.97Å; V482-E485 PolarHBondContact O-N 2.95Å; V482-E485 VanDerWaalsContact O-N 3.14Å; L483-E485 VanDerWaalsContact C-N 3.29Å; L483-E485 PolarHBondContact O-N 3.17Å; E485-R488 WeakPolarHBondContact O-CB 3.44Å; E485-R488 PolarHBondContact O-N 3.45Å; E485-R488 VanDerWaalsContact O-N 3.16Å; E485-E489 WeakPolarHBondContact O-CG 3.49Å; E485-E489 PolarHBondContact O-N 3.02Å |
| 486 | T | 87.9 | Confident | 88.6 | Confident | 52 Ų | 52 | 98 Ų | 98 | 32% | 0.319 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 175 | 54.2 | 0 | 0 | 0 | 0 | 112.6 | V482 L483 R488 E489 E490 | V482-T486 PolarHBondContact O-N 3.32Å; V482-T486 PolarHBondContact O-OG1 2.89Å; L483-T486 WeakPolarHBondContact CA-OG1 3.48Å; L483-T486 PolarHBondContact O-N 3.13Å; L483-T486 PolarHBondContact O-OG1 3.46Å; T486-R488 PolarHBondContact O-N 3.2Å; T486-E489 PolarHBondContact O-N 3.16Å; T486-E490 WeakPolarHBondContact O-CB 3.32Å; T486-E490 WeakPolarHBondContact O-CG 3.45Å; T486-E490 PolarHBondContact O-N 3Å |
| 487 | E | 86.7 | Confident | 88.3 | Confident | 124 Ų | 124 | 98.9 Ų | 98.9 | 58% | 0.579 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.5 | -30.3 | 174.5 | -70.7 | -87.4 | 166.2 | 0 | 0 | 112.1 | L483 T491 | L483-E487 WeakPolarHBondContact O-CB 3.46Å; L483-E487 WeakPolarHBondContact O-CG 3.44Å; L483-E487 PolarHBondContact O-N 3.43Å; E487-T491 WeakPolarHBondContact O-CB 3.34Å; E487-T491 WeakPolarHBondContact O-CG2 3.31Å; E487-T491 PolarHBondContact O-N 2.6Å; E487-T491 PolarHBondContact O-OG1 3.49Å |
| 488 | R | 86.9 | Confident | 88 | Confident | 149 Ų | 149 | 99.3 Ų | 99.3 | 56% | 0.562 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -72.9 | -44.4 | 171.7 | -77.5 | 169 | -176.1 | 165.9 | 4.6 | 112 | V484 E485 T486 E490 T491 E492 | V484-R488 WeakPolarHBondContact O-CB 3.22Å; V484-R488 WeakPolarHBondContact O-CD 3.33Å; V484-R488 WeakPolarHBondContact O-CG 3.37Å; V484-R488 PolarHBondContact O-N 2.98Å; E485-R488 WeakPolarHBondContact O-CB 3.44Å; E485-R488 PolarHBondContact O-N 3.45Å; E485-R488 VanDerWaalsContact O-N 3.16Å; T486-R488 PolarHBondContact O-N 3.2Å; R488-E490 VanDerWaalsContact C-N 3.35Å; R488-T491 WeakPolarHBondContact CA-OG1 3.49Å; R488-T491 PolarHBondContact O-N 2.94Å; R488-T491 PolarHBondContact O-OG1 3.39Å; R488-E492 WeakPolarHBondContact O-CB 3.21Å; R488-E492 WeakPolarHBondContact O-CG 3.41Å; R488-E492 PolarHBondContact O-N 2.91Å |
| 489 | E | 89.1 | Confident | 87.6 | Confident | 131 Ų | 131 | 100.1 Ų | 100.1 | 61% | 0.612 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.1 | -43.7 | 176.4 | -71.5 | -178.9 | 161.6 | 0 | 0 | 110.8 | E485 T486 E492 E493 | E485-E489 WeakPolarHBondContact O-CG 3.49Å; E485-E489 PolarHBondContact O-N 3.02Å; T486-E489 PolarHBondContact O-N 3.16Å; E489-E492 PolarHBondContact O-N 3.5Å; E489-E493 WeakPolarHBondContact O-CB 3.44Å; E489-E493 VanDerWaalsContact O-CG 3.26Å; E489-E493 WeakPolarHBondContact O-CG 3.48Å; E489-E493 PolarHBondContact O-N 2.85Å |
| 490 | E | 86.7 | Confident | 87.3 | Confident | 115 Ų | 115 | 101.8 Ų | 101.8 | 54% | 0.537 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 174.9 | -74.8 | -169.9 | -153.9 | 0 | 0 | 112.8 | T486 R488 E493 Q494 | T486-E490 WeakPolarHBondContact O-CB 3.32Å; T486-E490 WeakPolarHBondContact O-CG 3.45Å; T486-E490 PolarHBondContact O-N 3Å; R488-E490 VanDerWaalsContact C-N 3.35Å; E490-E493 PolarHBondContact O-N 3.47Å; E490-Q494 WeakPolarHBondContact O-CB 3.36Å; E490-Q494 VanDerWaalsContact O-CG 3.23Å; E490-Q494 WeakPolarHBondContact O-CG 3.44Å; E490-Q494 PolarHBondContact O-N 2.78Å |
| 491 | T | 83.2 | Confident | 87 | Confident | 66 Ų | 66 | 102 Ų | 102 | 41% | 0.405 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -72.9 | -31.1 | 176.1 | 49.1 | 0 | 0 | 0 | 0 | 112.8 | E487 R488 M495 | E487-T491 WeakPolarHBondContact O-CB 3.34Å; E487-T491 WeakPolarHBondContact O-CG2 3.31Å; E487-T491 PolarHBondContact O-N 2.6Å; E487-T491 PolarHBondContact O-OG1 3.49Å; R488-T491 WeakPolarHBondContact CA-OG1 3.49Å; R488-T491 PolarHBondContact O-N 2.94Å; R488-T491 PolarHBondContact O-OG1 3.39Å; T491-M495 VanDerWaalsContact O-CB 3.29Å; T491-M495 WeakPolarHBondContact O-CB 3.36Å; T491-M495 VanDerWaalsContact O-CG 3.23Å; T491-M495 WeakPolarHBondContact O-CG 3.33Å; T491-M495 PolarHBondContact O-N 3.37Å |
| 492 | E | 87.6 | Confident | 86.5 | Confident | 133 Ų | 133 | 104.2 Ų | 104.2 | 62% | 0.621 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -69.2 | -35 | 169.4 | -77.6 | -169.4 | -161.3 | 0 | 0 | 112.2 | R488 E489 M495 R496 | R488-E492 WeakPolarHBondContact O-CB 3.21Å; R488-E492 WeakPolarHBondContact O-CG 3.41Å; R488-E492 PolarHBondContact O-N 2.91Å; E489-E492 PolarHBondContact O-N 3.5Å; E492-M495 CarbonylContact O-C 3.44Å; E492-M495 PolarHBondContact O-N 3.07Å; E492-R496 WeakPolarHBondContact O-CB 3.48Å; E492-R496 PolarHBondContact O-N 3.04Å |
| 493 | E | 86.3 | Confident | 86 | Confident | 74 Ų | 74 | 107 Ų | 107 | 35% | 0.346 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.6 | -44.3 | 171.1 | -71.9 | -132.1 | 145.1 | 0 | 0 | 112.2 | E489 E490 M495 R496 R497 | E489-E493 WeakPolarHBondContact O-CB 3.44Å; E489-E493 VanDerWaalsContact O-CG 3.26Å; E489-E493 WeakPolarHBondContact O-CG 3.48Å; E489-E493 PolarHBondContact O-N 2.85Å; E490-E493 PolarHBondContact O-N 3.47Å; E493-M495 VanDerWaalsContact C-N 3.3Å; E493-M495 PolarHBondContact O-N 3.5Å; E493-R496 WeakPolarHBondContact O-CA 3.48Å; E493-R496 WeakPolarHBondContact O-CB 3.3Å; E493-R496 PolarHBondContact O-N 3.02Å; E493-R496 IonicContact OE1-NH1 3.51Å; E493-R496 PolarHBondContact OE1-NH1 3.29Å; E493-R496 VanDerWaalsContact OE1-NH1 3.11Å; E493-R497 WeakPolarHBondContact O-CG 3.32Å; E493-R497 PolarHBondContact O-N 2.69Å; E493-R497 IonicContact OE2-CZ 2.74Å; E493-R497 IonicContact OE2-NE 3.63Å; E493-R497 IonicContact OE2-NH2 2.69Å; E493-R497 PolarHBondContact OE2-NH2 2.92Å |
| 494 | Q | 85.1 | Confident | 85.6 | Confident | 107 Ų | 107 | 109.4 Ų | 109.4 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.4 | -44.7 | 173.3 | -71.5 | 167.2 | 32 | 0 | 0 | 110.5 | E490 R496 R497 L498 | E490-Q494 WeakPolarHBondContact O-CB 3.36Å; E490-Q494 VanDerWaalsContact O-CG 3.23Å; E490-Q494 WeakPolarHBondContact O-CG 3.44Å; E490-Q494 PolarHBondContact O-N 2.78Å; Q494-R496 PolarHBondContact O-N 3.48Å; Q494-R497 PolarHBondContact O-N 2.8Å; Q494-L498 VanDerWaalsContact O-CB 3.25Å; Q494-L498 WeakPolarHBondContact O-CB 3.45Å; Q494-L498 PolarHBondContact O-N 3.02Å |
| 495 | M | 82.8 | Confident | 85.2 | Confident | 107 Ų | 107 | 109.8 Ų | 109.8 | 53% | 0.527 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.3 | -13.6 | 173.9 | -74.4 | -64.6 | -56.5 | 0 | 0 | 114.4 | T491 E492 E493 K499 | T491-M495 VanDerWaalsContact O-CB 3.29Å; T491-M495 WeakPolarHBondContact O-CB 3.36Å; T491-M495 VanDerWaalsContact O-CG 3.23Å; T491-M495 WeakPolarHBondContact O-CG 3.33Å; T491-M495 PolarHBondContact O-N 3.37Å; E492-M495 CarbonylContact O-C 3.44Å; E492-M495 PolarHBondContact O-N 3.07Å; E493-M495 VanDerWaalsContact C-N 3.3Å; E493-M495 PolarHBondContact O-N 3.5Å; M495-K499 VanDerWaalsContact O-CD 3.26Å; M495-K499 WeakPolarHBondContact O-CD 3.37Å; M495-K499 WeakPolarHBondContact O-CE 3.31Å; M495-K499 VanDerWaalsContact O-CG 3.23Å; M495-K499 WeakPolarHBondContact O-CG 3.33Å |
| 496 | R | 88.5 | Confident | 84.9 | Confident | 116 Ų | 116 | 110 Ų | 110 | 44% | 0.438 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -86.7 | -50.2 | 172.2 | -165.6 | -170.9 | -56.3 | 131.8 | 9.2 | 110.2 | E492 E493 Q494 L498 K499 E500 | E492-R496 WeakPolarHBondContact O-CB 3.48Å; E492-R496 PolarHBondContact O-N 3.04Å; E493-R496 WeakPolarHBondContact O-CA 3.48Å; E493-R496 WeakPolarHBondContact O-CB 3.3Å; E493-R496 PolarHBondContact O-N 3.02Å; E493-R496 IonicContact OE1-NH1 3.51Å; E493-R496 PolarHBondContact OE1-NH1 3.29Å; E493-R496 VanDerWaalsContact OE1-NH1 3.11Å; Q494-R496 PolarHBondContact O-N 3.48Å; R496-L498 VanDerWaalsContact C-N 3.31Å; R496-L498 PolarHBondContact O-N 3.1Å; R496-K499 CarbonylContact O-C 3.56Å; R496-K499 WeakPolarHBondContact O-CA 3.26Å; R496-K499 WeakPolarHBondContact O-CB 3.42Å; R496-K499 PolarHBondContact O-N 3.15Å; R496-E500 WeakPolarHBondContact CG-OE1 3.5Å; R496-E500 WeakPolarHBondContact O-CG 3.27Å; R496-E500 PolarHBondContact O-N 3.19Å |
| 497 | R | 84.8 | Confident | 84.4 | Confident | 132 Ų | 132 | 109.3 Ų | 109.3 | 50% | 0.498 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.3 | -44.1 | 174.9 | -63.8 | 172.4 | -156.3 | 173.7 | 7.7 | 111.2 | E493 Q494 K499 E500 E501 | E493-R497 WeakPolarHBondContact O-CG 3.32Å; E493-R497 PolarHBondContact O-N 2.69Å; E493-R497 IonicContact OE2-CZ 2.74Å; E493-R497 IonicContact OE2-NE 3.63Å; E493-R497 IonicContact OE2-NH2 2.69Å; E493-R497 PolarHBondContact OE2-NH2 2.92Å; Q494-R497 PolarHBondContact O-N 2.8Å; R497-K499 PolarHBondContact O-N 3.09Å; R497-E500 WeakPolarHBondContact O-CB 3.47Å; R497-E500 PolarHBondContact O-N 3.37Å; R497-E500 VanDerWaalsContact O-N 3.12Å; R497-E501 WeakPolarHBondContact O-CB 3.47Å; R497-E501 VanDerWaalsContact O-CG 3.3Å; R497-E501 WeakPolarHBondContact O-CG 3.37Å; R497-E501 PolarHBondContact O-N 3.04Å |
| 498 | L | 84.6 | Confident | 84 | Confident | 94 Ų | 94 | 110 Ų | 110 | 49% | 0.492 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.9 | -18.5 | 177.7 | -160.8 | 141.2 | 0 | 0 | 0 | 113.4 | Q494 R496 M502 | Q494-L498 VanDerWaalsContact O-CB 3.25Å; Q494-L498 WeakPolarHBondContact O-CB 3.45Å; Q494-L498 PolarHBondContact O-N 3.02Å; R496-L498 VanDerWaalsContact C-N 3.31Å; R496-L498 PolarHBondContact O-N 3.1Å; L498-M502 WeakPolarHBondContact O-CB 3.46Å; L498-M502 WeakPolarHBondContact O-CG 3.38Å; L498-M502 PolarHBondContact O-N 2.97Å |
| 499 | K | 83.1 | Confident | 83.4 | Confident | 119 Ų | 119 | 107.2 Ų | 107.2 | 52% | 0.517 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -81.4 | -40.6 | 166.9 | -75.4 | 169.1 | -172.3 | 167.5 | 0 | 112.1 | M495 R496 R497 E501 M502 E503 | M495-K499 VanDerWaalsContact O-CD 3.26Å; M495-K499 WeakPolarHBondContact O-CD 3.37Å; M495-K499 WeakPolarHBondContact O-CE 3.31Å; M495-K499 VanDerWaalsContact O-CG 3.23Å; M495-K499 WeakPolarHBondContact O-CG 3.33Å; R496-K499 CarbonylContact O-C 3.56Å; R496-K499 WeakPolarHBondContact O-CA 3.26Å; R496-K499 WeakPolarHBondContact O-CB 3.42Å; R496-K499 PolarHBondContact O-N 3.15Å; R497-K499 PolarHBondContact O-N 3.09Å; K499-E501 VanDerWaalsContact C-N 3.35Å; K499-M502 CarbonylContact O-C 3.58Å; K499-M502 WeakPolarHBondContact O-CA 3.4Å; K499-M502 WeakPolarHBondContact O-CB 3.37Å; K499-M502 PolarHBondContact O-N 2.8Å; K499-M502 VanDerWaalsContact O-N 3.13Å; K499-E503 WeakPolarHBondContact O-CG 3.48Å; K499-E503 PolarHBondContact O-N 3.2Å |
| 500 | E | 86.3 | Confident | 82.7 | Confident | 103 Ų | 103 | 103.4 Ų | 103.4 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.7 | -46.1 | 174.9 | -68.9 | 159 | 179 | 0 | 0 | 109.6 | R496 R497 M502 E503 E504 | R496-E500 WeakPolarHBondContact CG-OE1 3.5Å; R496-E500 WeakPolarHBondContact O-CG 3.27Å; R496-E500 PolarHBondContact O-N 3.19Å; R497-E500 WeakPolarHBondContact O-CB 3.47Å; R497-E500 PolarHBondContact O-N 3.37Å; R497-E500 VanDerWaalsContact O-N 3.12Å; E500-M502 PolarHBondContact O-N 3.46Å; E500-E503 PolarHBondContact O-N 2.94Å; E500-E503 VanDerWaalsContact O-N 3.14Å; E500-E504 PolarHBondContact O-N 3.41Å |
| 501 | E | 85.7 | Confident | 82.2 | Confident | 110 Ų | 110 | 101.6 Ų | 101.6 | 51% | 0.514 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.6 | -41.7 | 169.3 | -71 | 168 | -171.2 | 0 | 0 | 112.4 | R497 K499 V505 | R497-E501 WeakPolarHBondContact O-CB 3.47Å; R497-E501 VanDerWaalsContact O-CG 3.3Å; R497-E501 WeakPolarHBondContact O-CG 3.37Å; R497-E501 PolarHBondContact O-N 3.04Å; K499-E501 VanDerWaalsContact C-N 3.35Å; E501-V505 WeakPolarHBondContact O-CB 3.46Å; E501-V505 VanDerWaalsContact O-CG2 3.25Å; E501-V505 WeakPolarHBondContact O-CG2 3.42Å; E501-V505 PolarHBondContact O-N 2.92Å |
| 502 | M | 79.6 | Confident | 81.7 | Confident | 111 Ų | 111 | 101.9 Ų | 101.9 | 55% | 0.547 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.3 | -36.9 | 173.8 | -88.9 | -176.1 | 56.3 | 0 | 0 | 113 | L498 K499 E500 L506 | L498-M502 WeakPolarHBondContact O-CB 3.46Å; L498-M502 WeakPolarHBondContact O-CG 3.38Å; L498-M502 PolarHBondContact O-N 2.97Å; K499-M502 CarbonylContact O-C 3.58Å; K499-M502 WeakPolarHBondContact O-CA 3.4Å; K499-M502 WeakPolarHBondContact O-CB 3.37Å; K499-M502 PolarHBondContact O-N 2.8Å; K499-M502 VanDerWaalsContact O-N 3.13Å; E500-M502 PolarHBondContact O-N 3.46Å; M502-L506 VanDerWaalsContact O-CB 3.29Å; M502-L506 WeakPolarHBondContact O-CB 3.31Å; M502-L506 WeakPolarHBondContact O-CD1 3.27Å; M502-L506 WeakPolarHBondContact O-CG 3.44Å; M502-L506 PolarHBondContact O-N 2.88Å |
| 503 | E | 82.7 | Confident | 81 | Confident | 141 Ų | 141 | 101.7 Ų | 101.7 | 66% | 0.659 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -72.7 | -37.1 | 178.2 | -75.2 | -179.8 | -165 | 0 | 0 | 111.2 | K499 E500 L506 G507 | K499-E503 WeakPolarHBondContact O-CG 3.48Å; K499-E503 PolarHBondContact O-N 3.2Å; E500-E503 PolarHBondContact O-N 2.94Å; E500-E503 VanDerWaalsContact O-N 3.14Å; E503-L506 PolarHBondContact O-N 3.36Å; E503-G507 PolarHBondContact O-N 3.39Å |
| 504 | E | 80.8 | Confident | 80.2 | Confident | 146 Ų | 146 | 104.6 Ų | 104.6 | 68% | 0.682 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.4 | -49.3 | 168.6 | -72.7 | -169.8 | 156 | 0 | 0 | 111.3 | E500 L506 G507 E508 | E500-E504 PolarHBondContact O-N 3.41Å; E504-L506 VanDerWaalsContact C-N 3.3Å; E504-L506 PolarHBondContact O-N 3.34Å; E504-G507 CarbonylContact O-C 3.57Å; E504-G507 WeakPolarHBondContact O-CA 3.43Å; E504-G507 PolarHBondContact O-N 2.93Å; E504-E508 PolarHBondContact O-N 2.83Å |
| 505 | V | 82.6 | Confident | 79.4 | Confident | 77 Ų | 77 | 103.3 Ų | 103.3 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -33.9 | 176.7 | 168.7 | 0 | 0 | 0 | 0 | 112 | E501 L509 | E501-V505 WeakPolarHBondContact O-CB 3.46Å; E501-V505 VanDerWaalsContact O-CG2 3.25Å; E501-V505 WeakPolarHBondContact O-CG2 3.42Å; E501-V505 PolarHBondContact O-N 2.92Å; V505-L509 HydrophobicContact CG1-CD1 4Å; V505-L509 HydrophobicContact CG1-CG 4.4Å; V505-L509 VanDerWaalsContact O-CB 3.24Å; V505-L509 WeakPolarHBondContact O-CB 3.4Å; V505-L509 WeakPolarHBondContact O-CG 3.34Å; V505-L509 PolarHBondContact O-N 2.91Å |
| 506 | L | 81.2 | Confident | 78.7 | Confident | 102 Ų | 102 | 103.2 Ų | 103.2 | 53% | 0.534 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70 | -33.3 | 172.3 | -76.2 | 167.2 | 0 | 0 | 0 | 112.3 | M502 E503 E504 L509 A510 | M502-L506 VanDerWaalsContact O-CB 3.29Å; M502-L506 WeakPolarHBondContact O-CB 3.31Å; M502-L506 WeakPolarHBondContact O-CD1 3.27Å; M502-L506 WeakPolarHBondContact O-CG 3.44Å; M502-L506 PolarHBondContact O-N 2.88Å; E503-L506 PolarHBondContact O-N 3.36Å; E504-L506 VanDerWaalsContact C-N 3.3Å; E504-L506 PolarHBondContact O-N 3.34Å; L506-L509 HydrophobicContact CD2-CD1 4.43Å; L506-A510 WeakPolarHBondContact O-CB 3.46Å; L506-A510 PolarHBondContact O-N 2.86Å |
| 507 | G | 78.3 | Confident | 77.6 | Confident | 38 Ų | 38 | 104 Ų | 104 | 39% | 0.392 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.2 | -45.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E503 E504 L509 A510 V511 | E503-G507 PolarHBondContact O-N 3.39Å; E504-G507 CarbonylContact O-C 3.57Å; E504-G507 WeakPolarHBondContact O-CA 3.43Å; E504-G507 PolarHBondContact O-N 2.93Å; G507-L509 VanDerWaalsContact C-N 3.33Å; G507-L509 PolarHBondContact O-N 3.31Å; G507-A510 PolarHBondContact O-N 2.87Å; G507-V511 WeakPolarHBondContact O-CG2 3.26Å; G507-V511 PolarHBondContact O-N 2.89Å |
| 508 | E | 78.9 | Confident | 76.6 | Confident | 138 Ų | 138 | 103 Ų | 103 | 65% | 0.645 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.5 | -40.7 | 172 | -70.1 | -162.6 | 152.7 | 0 | 0 | 111.5 | E504 V511 M512 | E504-E508 PolarHBondContact O-N 2.83Å; E508-V511 PolarHBondContact O-N 3.35Å; E508-M512 VanDerWaalsContact O-CB 3.25Å; E508-M512 WeakPolarHBondContact O-CB 3.38Å; E508-M512 VanDerWaalsContact O-CG 3.25Å; E508-M512 WeakPolarHBondContact O-CG 3.48Å; E508-M512 PolarHBondContact O-N 2.89Å |
| 509 | L | 73 | Confident | 75.7 | Confident | 92 Ų | 92 | 104.2 Ų | 104.2 | 48% | 0.482 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64 | -39.2 | 174.8 | -79.3 | 168.1 | 0 | 0 | 0 | 112.1 | V505 L506 G507 M512 E513 | V505-L509 HydrophobicContact CG1-CD1 4Å; V505-L509 HydrophobicContact CG1-CG 4.4Å; V505-L509 VanDerWaalsContact O-CB 3.24Å; V505-L509 WeakPolarHBondContact O-CB 3.4Å; V505-L509 WeakPolarHBondContact O-CG 3.34Å; V505-L509 PolarHBondContact O-N 2.91Å; L506-L509 HydrophobicContact CD2-CD1 4.43Å; G507-L509 VanDerWaalsContact C-N 3.33Å; G507-L509 PolarHBondContact O-N 3.31Å; L509-M512 CarbonylContact O-C 3.57Å; L509-M512 PolarHBondContact O-N 2.9Å; L509-E513 WeakPolarHBondContact O-CG 3.42Å; L509-E513 PolarHBondContact O-N 3.5Å |
| 510 | A | 75.3 | Confident | 74.7 | Confident | 51 Ų | 51 | 103.9 Ų | 103.9 | 42% | 0.421 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | L506 G507 M512 E513 E514 | L506-A510 WeakPolarHBondContact O-CB 3.46Å; L506-A510 PolarHBondContact O-N 2.86Å; G507-A510 PolarHBondContact O-N 2.87Å; A510-M512 VanDerWaalsContact C-N 3.28Å; A510-M512 PolarHBondContact O-N 3.4Å; A510-E513 PolarHBondContact O-N 3.47Å; A510-E514 PolarHBondContact O-N 2.85Å |
| 511 | V | 76.4 | Confident | 73.4 | Confident | 76 Ų | 76 | 105.9 Ų | 105.9 | 46% | 0.461 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.1 | -33.8 | 172.9 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | G507 E508 Q515 | G507-V511 WeakPolarHBondContact O-CG2 3.26Å; G507-V511 PolarHBondContact O-N 2.89Å; E508-V511 PolarHBondContact O-N 3.35Å; V511-Q515 WeakPolarHBondContact O-CB 3.41Å; V511-Q515 WeakPolarHBondContact O-CG 3.48Å; V511-Q515 PolarHBondContact O-N 2.85Å |
| 512 | M | 72.3 | Confident | 72.2 | Confident | 72 Ų | 72 | 104.6 Ų | 104.6 | 36% | 0.355 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -74.1 | -28.9 | 174 | -77.5 | -71.7 | -67.5 | 0 | 0 | 112.7 | E508 L509 A510 Q515 E516 | E508-M512 VanDerWaalsContact O-CB 3.25Å; E508-M512 WeakPolarHBondContact O-CB 3.38Å; E508-M512 VanDerWaalsContact O-CG 3.25Å; E508-M512 WeakPolarHBondContact O-CG 3.48Å; E508-M512 PolarHBondContact O-N 2.89Å; L509-M512 CarbonylContact O-C 3.57Å; L509-M512 PolarHBondContact O-N 2.9Å; A510-M512 VanDerWaalsContact C-N 3.28Å; A510-M512 PolarHBondContact O-N 3.4Å; M512-Q515 CarbonylContact O-C 3.59Å; M512-Q515 PolarHBondContact O-N 3.08Å; M512-E516 WeakPolarHBondContact O-CA 3.37Å; M512-E516 VanDerWaalsContact O-CB 3.24Å; M512-E516 WeakPolarHBondContact O-CB 3.49Å; M512-E516 VanDerWaalsContact O-CG 3.3Å; M512-E516 WeakPolarHBondContact O-CG 3.42Å; M512-E516 PolarHBondContact O-N 3.05Å |
| 513 | E | 73.2 | Confident | 71.3 | Confident | 129 Ų | 129 | 101.2 Ų | 101.2 | 60% | 0.603 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -71.4 | -40.5 | 170.9 | -78.9 | -170.9 | 170.5 | 0 | 0 | 111.4 | L509 A510 E516 Q517 | L509-E513 WeakPolarHBondContact O-CG 3.42Å; L509-E513 PolarHBondContact O-N 3.5Å; A510-E513 PolarHBondContact O-N 3.47Å; E513-E516 PolarHBondContact O-N 3.22Å; E513-Q517 WeakPolarHBondContact O-CG 3.35Å; E513-Q517 PolarHBondContact O-N 3.01Å |
| 514 | E | 68.3 | Low | 70.2 | Confident | 135 Ų | 135 | 102.6 Ų | 102.6 | 63% | 0.631 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.7 | -43.5 | 170.1 | -70.8 | -168.6 | 155.3 | 0 | 0 | 111.1 | A510 E516 Q517 I518 | A510-E514 PolarHBondContact O-N 2.85Å; E514-E516 VanDerWaalsContact C-N 3.34Å; E514-E516 PolarHBondContact O-N 3.27Å; E514-Q517 PolarHBondContact O-N 2.87Å; E514-I518 WeakPolarHBondContact O-CG1 3.47Å; E514-I518 PolarHBondContact O-N 2.78Å |
| 515 | Q | 70.3 | Confident | 68.9 | Low | 80 Ų | 80 | 103.2 Ų | 103.2 | 37% | 0.374 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.9 | -31.2 | 172.1 | -75.6 | -171.8 | 44.8 | 0 | 0 | 113 | V511 M512 I518 R519 | V511-Q515 WeakPolarHBondContact O-CB 3.41Å; V511-Q515 WeakPolarHBondContact O-CG 3.48Å; V511-Q515 PolarHBondContact O-N 2.85Å; M512-Q515 CarbonylContact O-C 3.59Å; M512-Q515 PolarHBondContact O-N 3.08Å; Q515-I518 PolarHBondContact O-N 3.24Å; Q515-R519 WeakPolarHBondContact O-CB 3.46Å; Q515-R519 WeakPolarHBondContact O-CG 3.45Å; Q515-R519 PolarHBondContact O-N 3.46Å |
| 516 | E | 67.4 | Low | 67.8 | Low | 106 Ų | 106 | 102.7 Ų | 102.7 | 50% | 0.495 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -75.6 | -32 | 176.9 | -81.9 | -151.5 | 159.2 | 0 | 0 | 112 | M512 E513 E514 I518 R519 L520 | M512-E516 WeakPolarHBondContact O-CA 3.37Å; M512-E516 VanDerWaalsContact O-CB 3.24Å; M512-E516 WeakPolarHBondContact O-CB 3.49Å; M512-E516 VanDerWaalsContact O-CG 3.3Å; M512-E516 WeakPolarHBondContact O-CG 3.42Å; M512-E516 PolarHBondContact O-N 3.05Å; E513-E516 PolarHBondContact O-N 3.22Å; E514-E516 VanDerWaalsContact C-N 3.34Å; E514-E516 PolarHBondContact O-N 3.27Å; E516-I518 VanDerWaalsContact C-N 3.32Å; E516-I518 PolarHBondContact O-N 2.99Å; E516-R519 CarbonylContact O-C 3.51Å; E516-R519 PolarHBondContact O-N 3.47Å; E516-L520 VanDerWaalsContact O-CB 3.26Å; E516-L520 WeakPolarHBondContact O-CB 3.42Å; E516-L520 WeakPolarHBondContact O-CD1 3.43Å; E516-L520 WeakPolarHBondContact O-CG 3.4Å; E516-L520 PolarHBondContact O-N 2.7Å |
| 517 | Q | 64.3 | Low | 66.4 | Low | 132 Ų | 132 | 105.9 Ų | 105.9 | 62% | 0.617 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.7 | -43.5 | 168.4 | -71.1 | 172.1 | 34.7 | 0 | 0 | 110.8 | E513 E514 L520 | E513-Q517 WeakPolarHBondContact O-CG 3.35Å; E513-Q517 PolarHBondContact O-N 3.01Å; E514-Q517 PolarHBondContact O-N 2.87Å; Q517-L520 PolarHBondContact O-N 3.02Å |
| 518 | I | 64.6 | Low | 65.2 | Low | 112 Ų | 112 | 113 Ų | 113 | 57% | 0.574 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.3 | -42.2 | 172.8 | -63.6 | 168 | 0 | 0 | 0 | 111.5 | E514 Q515 E516 L520 E521 V522 | E514-I518 WeakPolarHBondContact O-CG1 3.47Å; E514-I518 PolarHBondContact O-N 2.78Å; Q515-I518 PolarHBondContact O-N 3.24Å; E516-I518 VanDerWaalsContact C-N 3.32Å; E516-I518 PolarHBondContact O-N 2.99Å; I518-L520 VanDerWaalsContact C-N 3.32Å; I518-L520 PolarHBondContact O-N 3.05Å; I518-E521 PolarHBondContact O-N 3.4Å; I518-V522 PolarHBondContact O-N 3.41Å |
| 519 | R | 64.9 | Low | 63.9 | Low | 119 Ų | 119 | 109.9 Ų | 109.9 | 45% | 0.449 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71.2 | -23 | 178.7 | -69.1 | 165.6 | -166.8 | -164.8 | 10.2 | 112.3 | Q515 E516 V522 A523 | Q515-R519 WeakPolarHBondContact O-CB 3.46Å; Q515-R519 WeakPolarHBondContact O-CG 3.45Å; Q515-R519 PolarHBondContact O-N 3.46Å; E516-R519 CarbonylContact O-C 3.51Å; E516-R519 PolarHBondContact O-N 3.47Å; R519-V522 CarbonylContact O-C 3.5Å; R519-V522 WeakPolarHBondContact O-CA 3.36Å; R519-V522 WeakPolarHBondContact O-CB 3.38Å; R519-V522 PolarHBondContact O-N 2.74Å; R519-V522 VanDerWaalsContact O-N 3.1Å; R519-A523 VanDerWaalsContact O-CB 3.25Å; R519-A523 WeakPolarHBondContact O-CB 3.42Å; R519-A523 PolarHBondContact O-N 3.15Å |
| 520 | L | 63.3 | Low | 62.8 | Low | 111 Ų | 111 | 112.1 Ų | 112.1 | 58% | 0.581 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71.1 | -35.7 | 175.5 | -79.5 | 163.2 | 0 | 0 | 0 | 111.4 | E516 Q517 I518 V522 A523 Q524 | E516-L520 VanDerWaalsContact O-CB 3.26Å; E516-L520 WeakPolarHBondContact O-CB 3.42Å; E516-L520 WeakPolarHBondContact O-CD1 3.43Å; E516-L520 WeakPolarHBondContact O-CG 3.4Å; E516-L520 PolarHBondContact O-N 2.7Å; Q517-L520 PolarHBondContact O-N 3.02Å; I518-L520 VanDerWaalsContact C-N 3.32Å; I518-L520 PolarHBondContact O-N 3.05Å; L520-V522 PolarHBondContact O-N 3.44Å; L520-A523 PolarHBondContact O-N 2.97Å; L520-Q524 PolarHBondContact O-N 3.46Å |
| 521 | E | 59.1 | Low | 61.6 | Low | 146 Ų | 146 | 118.4 Ų | 118.4 | 68% | 0.682 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.7 | -16.5 | 167.6 | -62.6 | -163.4 | 148.8 | 0 | 0 | 113.6 | I518 K525 | I518-E521 PolarHBondContact O-N 3.4Å; E521-K525 PolarHBondContact O-NZ 3.21Å |
| 522 | V | 60.4 | Low | 60.1 | Low | 83 Ų | 83 | 117.9 Ų | 117.9 | 50% | 0.503 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -97.9 | -30.4 | 174.2 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | I518 R519 L520 Q524 K525 | I518-V522 PolarHBondContact O-N 3.41Å; R519-V522 CarbonylContact O-C 3.5Å; R519-V522 WeakPolarHBondContact O-CA 3.36Å; R519-V522 WeakPolarHBondContact O-CB 3.38Å; R519-V522 PolarHBondContact O-N 2.74Å; R519-V522 VanDerWaalsContact O-N 3.1Å; L520-V522 PolarHBondContact O-N 3.44Å; V522-Q524 PolarHBondContact O-N 2.94Å; V522-K525 WeakPolarHBondContact O-CA 3.24Å; V522-K525 VanDerWaalsContact O-CB 3.28Å; V522-K525 WeakPolarHBondContact O-CB 3.4Å; V522-K525 PolarHBondContact O-N 3.04Å |
| 523 | A | 60.8 | Low | 58.9 | Low | 40 Ų | 40 | 120.6 Ų | 120.6 | 33% | 0.331 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -72.3 | -29.2 | -176 | 0 | 0 | 0 | 0 | 0 | 112.5 | R519 L520 K525 S526 Q527 | R519-A523 VanDerWaalsContact O-CB 3.25Å; R519-A523 WeakPolarHBondContact O-CB 3.42Å; R519-A523 PolarHBondContact O-N 3.15Å; L520-A523 PolarHBondContact O-N 2.97Å; A523-K525 PolarHBondContact O-N 3.45Å; A523-S526 WeakPolarHBondContact CA-OG 3.46Å; A523-S526 PolarHBondContact O-N 3.19Å; A523-S526 PolarHBondContact O-OG 2.83Å; A523-Q527 PolarHBondContact O-N 3.32Å |
| 524 | Q | 58.6 | Low | 57.3 | Low | 169 Ų | 169 | 123.1 Ų | 123.1 | 79% | 0.79 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | -15.2 | 164.6 | -74.6 | -167.9 | -12.6 | 0 | 0 | 113.4 | L520 V522 | L520-Q524 PolarHBondContact O-N 3.46Å; V522-Q524 PolarHBondContact O-N 2.94Å |
| 525 | K | 53.7 | Low | 56.2 | Low | 159 Ų | 159 | 125.2 Ų | 125.2 | 69% | 0.691 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | 0.3 | 177.8 | -52.7 | 165.7 | -174.5 | 140.8 | 0 | 113.3 | E521 V522 A523 | E521-K525 PolarHBondContact O-NZ 3.21Å; V522-K525 WeakPolarHBondContact O-CA 3.24Å; V522-K525 VanDerWaalsContact O-CB 3.28Å; V522-K525 WeakPolarHBondContact O-CB 3.4Å; V522-K525 PolarHBondContact O-N 3.04Å; A523-K525 PolarHBondContact O-N 3.45Å |
| 526 | S | 59.1 | Low | 55 | Low | 67 Ų | 67 | 128.2 Ų | 128.2 | 47% | 0.469 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -118.8 | -9.7 | -179.4 | 69.5 | 0 | 0 | 0 | 0 | 114.7 | A523 E528 A529 | A523-S526 WeakPolarHBondContact CA-OG 3.46Å; A523-S526 PolarHBondContact O-N 3.19Å; A523-S526 PolarHBondContact O-OG 2.83Å; S526-E528 PolarHBondContact O-N 3.48Å; S526-A529 PolarHBondContact O-N 3.25Å |
| 527 | Q | 52.6 | Low | 53.7 | Low | 169 Ų | 169 | 132.4 Ų | 132.4 | 79% | 0.79 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -16 | 178.7 | -167.1 | 168.5 | 8.5 | 0 | 0 | 113.9 | A523 A529 | A523-Q527 PolarHBondContact O-N 3.32Å; Q527-A529 VanDerWaalsContact C-N 3.3Å; Q527-A529 PolarHBondContact O-N 2.99Å |
| 528 | E | 52.5 | Low | 52.6 | Low | 188 Ų | 188 | 134.3 Ų | 134.3 | 88% | 0.879 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -11.2 | 178.9 | -56.7 | -173.1 | 147.3 | 0 | 0 | 114.3 | S526 | S526-E528 PolarHBondContact O-N 3.48Š|
| 529 | A | 51 | Low | 51.7 | Low | 71 Ų | 71 | 137.9 Ų | 137.9 | 59% | 0.587 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -102 | -25 | -164 | 0 | 0 | 0 | 0 | 0 | 117.3 | S526 Q527 Q531 | S526-A529 PolarHBondContact O-N 3.25Å; Q527-A529 VanDerWaalsContact C-N 3.3Å; Q527-A529 PolarHBondContact O-N 2.99Å; A529-Q531 PolarHBondContact O-N 3.1Å |
| 530 | L | 50.1 | Low | 50.7 | Low | 139 Ų | 139 | 140.2 Ų | 140.2 | 73% | 0.728 | 70% | 0.701 | S | S | * | * | trans | -96 | 19.7 | -158.1 | -94.5 | 169.4 | 0 | 0 | 0 | 117.4 | S532 | L530-S532 VanDerWaalsContact C-N 3.27Å; L530-S532 PolarHBondContact O-N 3.45Å | ||
| 531 | Q | 50.8 | Low | 49.6 | Very low | 183 Ų | 183 | 139 Ų | 139 | 86% | 0.855 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -84.8 | 13.1 | 176.7 | -64 | -173.4 | -4.6 | 0 | 0 | 114.6 | A529 | A529-Q531 PolarHBondContact O-N 3.1Š|
| 532 | S | 44.9 | Very low | 48.7 | Very low | 65 Ų | 65 | 138.1 Ų | 138.1 | 46% | 0.455 | 71% | 0.706 | S | S | . | * | S | Bend | trans | -95.9 | -46.1 | -167.1 | 51.8 | 0 | 0 | 0 | 0 | 115.2 | L530 Q534 R535 | L530-S532 VanDerWaalsContact C-N 3.27Å; L530-S532 PolarHBondContact O-N 3.45Å; S532-Q534 VanDerWaalsContact C-N 3.31Å; S532-Q534 PolarHBondContact O-N 2.79Å; S532-Q534 VanDerWaalsContact O-N 3.14Å; S532-R535 PolarHBondContact O-NH1 3.39Å |
| 533 | L | 47.2 | Very low | 47.8 | Very low | 130 Ų | 130 | 143.7 Ų | 143.7 | 68% | 0.681 | 73% | 0.727 | S | S | * | * | trans | -86.6 | 26.8 | -161 | -82.4 | 159.5 | 0 | 0 | 0 | 115.8 | R535 | L533-R535 VanDerWaalsContact C-N 3.34Å; L533-R535 PolarHBondContact O-N 2.96Å | ||
| 534 | Q | 40.3 | Very low | 46.4 | Very low | 181 Ų | 181 | 146.2 Ų | 146.2 | 85% | 0.846 | 73% | 0.734 | S | S | * | * | trans | -93 | 30.5 | -173.4 | -155.1 | 175.4 | 3.4 | 0 | 0 | 113.9 | S532 | S532-Q534 VanDerWaalsContact C-N 3.31Å; S532-Q534 PolarHBondContact O-N 2.79Å; S532-Q534 VanDerWaalsContact O-N 3.14Å | ||
| 535 | R | 44.1 | Very low | 45.7 | Very low | 180 Ų | 180 | 148.4 Ų | 148.4 | 68% | 0.679 | 74% | 0.735 | S | S | * | * | trans | -122.3 | -32 | -166.1 | -70.9 | -178.8 | 174.4 | 77.2 | 5.3 | 116.6 | S532 L533 K537 | S532-R535 PolarHBondContact O-NH1 3.39Å; L533-R535 VanDerWaalsContact C-N 3.34Å; L533-R535 PolarHBondContact O-N 2.96Å; R535-K537 VanDerWaalsContact C-N 3.26Å; R535-K537 PolarHBondContact O-N 2.79Å | ||
| 536 | D | 45.1 | Very low | 44.7 | Very low | 143 Ų | 143 | 150 Ų | 150 | 77% | 0.765 | 75% | 0.745 | S | S | * | * | trans | -90.7 | 37.5 | -157.4 | -48.9 | -22.5 | 0 | 0 | 0 | 113.7 | ||||
| 537 | K | 41.4 | Very low | 43.4 | Very low | 193 Ų | 193 | 151.7 Ų | 151.7 | 84% | 0.839 | 76% | 0.764 | S | S | * | * | trans | -111.3 | 15.3 | -157.5 | -157.7 | -130.9 | 173 | -177.6 | 0 | 116 | R535 | R535-K537 VanDerWaalsContact C-N 3.26Å; R535-K537 PolarHBondContact O-N 2.79Å | ||
| 538 | E | 40.5 | Very low | 42.5 | Very low | 173 Ų | 173 | 153.2 Ų | 153.2 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -126.9 | -17.4 | -163.7 | -62.8 | -167.5 | 137.7 | 0 | 0 | 117.9 | ||
| 539 | E | 45.5 | Very low | 41.7 | Very low | 186 Ų | 186 | 148.6 Ų | 148.6 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -88.9 | -31.1 | -162.4 | -64 | -165 | 129.8 | 0 | 0 | 117.7 | A541 | E539-A541 PolarHBondContact O-N 3.12Š|
| 540 | L | 44.8 | Very low | 41 | Very low | 169 Ų | 169 | 152.6 Ų | 152.6 | 89% | 0.885 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -87.1 | 8.2 | -164.2 | -91 | 163.5 | 0 | 0 | 0 | 116.8 | N542 | L540-N542 PolarHBondContact O-N 3.46Š|
| 541 | A | 39.5 | Very low | 40.2 | Very low | 85 Ų | 85 | 152.6 Ų | 152.6 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -82.2 | 1.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | E539 | E539-A541 PolarHBondContact O-N 3.12Š|
| 542 | N | 39 | Very low | 39.5 | Very low | 127 Ų | 127 | 152.3 Ų | 152.3 | 68% | 0.679 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -111.9 | 1.2 | -159.8 | -88.1 | -35.8 | 0 | 0 | 0 | 117.7 | L540 L544 | L540-N542 PolarHBondContact O-N 3.46Å; N542-L544 PolarHBondContact O-N 3.08Å |
| 543 | Q | 42.1 | Very low | 39.3 | Very low | 201 Ų | 201 | 160.6 Ų | 160.6 | 94% | 0.939 | 80% | 0.795 | S | S | * | * | trans | -86.3 | 60.3 | 176.9 | -69.5 | -172 | -7.7 | 0 | 0 | 112.5 | ||||
| 544 | L | 32.8 | Very low | 39 | Very low | 92 Ų | 92 | 159.9 Ų | 159.9 | 48% | 0.482 | 80% | 0.801 | S | S | . | * | trans | -66.1 | 139.7 | 178 | -78.7 | 166.1 | 0 | 0 | 0 | 113.9 | N542 E546 | N542-L544 PolarHBondContact O-N 3.08Å; L544-E546 PolarHBondContact O-N 3.05Å | ||
| 545 | R | 42.2 | Very low | 39 | Very low | 216 Ų | 216 | 156 Ų | 156 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | 61.1 | 52.3 | 121.7 | -159.8 | -167.7 | -72.6 | 145.3 | -4.9 | 117.1 | |||||
| 546 | E | 34.3 | Very low | 38.7 | Very low | 191 Ų | 191 | 155 Ų | 155 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | -123.1 | 155.4 | 168.4 | -67.7 | -166.6 | 154.1 | 0 | 0 | 113.2 | L544 | L544-E546 PolarHBondContact O-N 3.05Š| ||
| 547 | A | 31.5 | Very low | 38.3 | Very low | 104 Ų | 104 | 155.3 Ų | 155.3 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | 74.3 | 73.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 548 | E | 33.9 | Very low | 38.4 | Very low | 201 Ų | 201 | 151.2 Ų | 151.2 | 94% | 0.939 | 81% | 0.811 | S | S | * | * | trans | -88.1 | 129.3 | 155.1 | -58.2 | 170.5 | 114.9 | 0 | 0 | 110.5 | ||||
| 549 | A | 35.4 | Very low | 38.7 | Very low | 91 Ų | 91 | 147.7 Ų | 147.7 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | trans | -164.3 | 141.3 | 173 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 550 | L | 34.9 | Very low | 38.6 | Very low | 154 Ų | 154 | 147.4 Ų | 147.4 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | trans | 95 | 113.3 | 147.3 | -48.7 | -168.3 | 0 | 0 | 0 | 125.3 | ||||
| 551 | L | 34.8 | Very low | 38.5 | Very low | 140 Ų | 140 | 149.5 Ų | 149.5 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | trans | 64.2 | 160.3 | 132.6 | -82 | 83.3 | 0 | 0 | 0 | 124.5 | ||||
| 552 | E | 36.3 | Very low | 38.9 | Very low | 176 Ų | 176 | 150.3 Ų | 150.3 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | cis | -163.3 | -150 | -34.6 | -138.5 | 166.2 | -158.7 | 0 | 0 | 116.6 | ||||
| 553 | R | 40.5 | Very low | 39.5 | Very low | 240 Ų | 240 | 152.9 Ų | 152.9 | 91% | 0.906 | 83% | 0.831 | S | S | * | * | trans | -158.9 | 173.5 | -147.5 | -150.9 | 172 | -177.7 | 172.8 | -0 | 118.8 | ||||
| 554 | S | 39.5 | Very low | 39.4 | Very low | 114 Ų | 114 | 151.9 Ų | 151.9 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | trans | 96 | 162.8 | 163.9 | 79.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 555 | S | 40.2 | Very low | 40.2 | Very low | 101 Ų | 101 | 155.3 Ų | 155.3 | 71% | 0.706 | 84% | 0.844 | S | S | * | * | cis | -173.6 | 164.7 | -26.5 | 52.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 556 | D | 39.4 | Very low | 40.6 | Very low | 157 Ų | 157 | 149.2 Ų | 149.2 | 84% | 0.84 | 84% | 0.84 | S | S | * | * | trans | 71.8 | 144.6 | 152.3 | -70.5 | 6.2 | 0 | 0 | 0 | 128.8 | ||||
| 557 | V | 36.9 | Very low | 41.4 | Very low | 151 Ų | 151 | 144.2 Ų | 144.2 | 92% | 0.915 | 83% | 0.831 | S | S | * | * | trans | -155 | 129.8 | 166.6 | 176.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 558 | A | 42.6 | Very low | 42.4 | Very low | 107 Ų | 107 | 144.6 Ų | 144.6 | 88% | 0.884 | 82% | 0.822 | S | S | * | * | trans | -157.3 | 26.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 559 | A | 46.6 | Very low | 43.7 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -139 | 62.7 | -165.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 560 | M | 42.9 | Very low | 44.7 | Very low | 179 Ų | 179 | 143.8 Ų | 143.8 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | trans | -154.6 | 36.5 | 178.3 | -123.8 | -69.4 | -82.8 | 0 | 0 | 117.6 | ||||
| 561 | K | 43.9 | Very low | 45.7 | Very low | 213 Ų | 213 | 143.2 Ų | 143.2 | 93% | 0.926 | 81% | 0.811 | S | S | * | * | trans | -130.7 | 13.6 | -178.6 | -77.9 | -171.5 | 174.4 | 179.7 | 0 | 116.6 | ||||
| 562 | A | 48.3 | Very low | 46.4 | Very low | 103 Ų | 103 | 143.1 Ų | 143.1 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -102.6 | -0.4 | -165.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 563 | M | 50.8 | Low | 47.5 | Very low | 181 Ų | 181 | 142.4 Ų | 142.4 | 89% | 0.892 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -112.4 | -4.9 | -168.1 | -71.9 | -142.8 | 72 | 0 | 0 | 117.4 | ||
| 564 | H | 40.7 | Very low | 48.7 | Very low | 179 Ų | 179 | 134.7 Ų | 134.7 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -96.5 | -1 | -163.6 | -131.3 | -50 | 0 | 0 | 0 | 117 | ||
| 565 | L | 48.6 | Very low | 50 | Low | 165 Ų | 165 | 136.4 Ų | 136.4 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -108 | -1.8 | -168.5 | -91 | 165.6 | 0 | 0 | 0 | 116.3 | ||
| 566 | A | 50.6 | Low | 51.1 | Low | 88 Ų | 88 | 136 Ų | 136 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -88.5 | -21 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V568 | A566-V568 PolarHBondContact O-N 3.09Š|
| 567 | A | 51 | Low | 52.3 | Low | 85 Ų | 85 | 134.4 Ų | 134.4 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -91.5 | 9 | -163.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 568 | V | 52.7 | Low | 53.7 | Low | 112 Ų | 112 | 130.4 Ų | 130.4 | 68% | 0.679 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -105 | -22.6 | -169.7 | -179.2 | 0 | 0 | 0 | 0 | 113.3 | A566 | A566-V568 PolarHBondContact O-N 3.09Š|
| 569 | S | 60.5 | Low | 54.6 | Low | 97 Ų | 97 | 130 Ų | 130 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -80.9 | -26.2 | -171.1 | -60.5 | 0 | 0 | 0 | 0 | 115.2 | L571 | S569-L571 PolarHBondContact O-N 3.01Š|
| 570 | E | 57.3 | Low | 55.4 | Low | 178 Ų | 178 | 134.1 Ų | 134.1 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -16.9 | -172.6 | -62.2 | -175.3 | 150.8 | 0 | 0 | 114.1 | ||
| 571 | L | 55.2 | Low | 56.5 | Low | 143 Ų | 143 | 132.9 Ų | 132.9 | 75% | 0.749 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -13.2 | -176.7 | -79.8 | 166.4 | 0 | 0 | 0 | 114.5 | S569 | S569-L571 PolarHBondContact O-N 3.01Š|
| 572 | Q | 50.2 | Low | 57.4 | Low | 137 Ų | 137 | 128 Ų | 128 | 64% | 0.64 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -85.5 | -28.5 | -169 | -165.9 | 63.9 | 29.2 | 0 | 0 | 114.2 | ||
| 573 | E | 60.3 | Low | 58 | Low | 161 Ų | 161 | 129 Ų | 129 | 75% | 0.752 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -84 | -29.7 | -173.4 | -64.5 | -163.4 | 133.4 | 0 | 0 | 113.8 | Y575 N576 | E573-Y575 VanDerWaalsContact C-N 3.26Å; E573-Y575 PolarHBondContact O-N 3.15Å; E573-N576 PolarHBondContact O-N 2.96Å |
| 574 | A | 63.8 | Low | 58.7 | Low | 79 Ų | 79 | 126.1 Ų | 126.1 | 65% | 0.653 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -30.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N576 | A574-N576 PolarHBondContact O-N 2.84Š|
| 575 | Y | 67.1 | Low | 59.9 | Low | 149 Ų | 149 | 124.4 Ų | 124.4 | 58% | 0.584 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -36.1 | -176.8 | -175 | -92.4 | 0 | 0 | 0 | 113.2 | E573 N577 S578 | E573-Y575 VanDerWaalsContact C-N 3.26Å; E573-Y575 PolarHBondContact O-N 3.15Å; Y575-N577 VanDerWaalsContact C-N 3.32Å; Y575-N577 PolarHBondContact O-N 3.39Å; Y575-S578 PolarHBondContact O-OG 3.28Å |
| 576 | N | 64.4 | Low | 60.9 | Low | 92 Ų | 92 | 119.8 Ų | 119.8 | 49% | 0.492 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -76.4 | -16.4 | -169.9 | -64.1 | -38 | 0 | 0 | 0 | 114.2 | E573 A574 | E573-N576 PolarHBondContact O-N 2.96Å; A574-N576 PolarHBondContact O-N 2.84Å |
| 577 | N | 64 | Low | 61.8 | Low | 124 Ų | 124 | 120 Ų | 120 | 66% | 0.663 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -91.9 | -16.7 | -178 | -88.5 | -37.3 | 0 | 0 | 0 | 114.4 | Y575 | Y575-N577 VanDerWaalsContact C-N 3.32Å; Y575-N577 PolarHBondContact O-N 3.39Å |
| 578 | S | 66.1 | Low | 62.7 | Low | 68 Ų | 68 | 122.5 Ų | 122.5 | 48% | 0.476 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -78.9 | -34.3 | 174.1 | 55.3 | 0 | 0 | 0 | 0 | 112.1 | Y575 R580 K581 | Y575-S578 PolarHBondContact O-OG 3.28Å; S578-R580 PolarHBondContact O-N 2.73Å; S578-K581 PolarHBondContact O-N 3.03Å |
| 579 | Q | 60.6 | Low | 63.3 | Low | 99 Ų | 99 | 122.7 Ų | 122.7 | 46% | 0.463 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -64.2 | -41.3 | -169.8 | -167.1 | 164.3 | -20.8 | 0 | 0 | 113.8 | K581 I582 | Q579-K581 VanDerWaalsContact C-N 3.29Å; Q579-K581 PolarHBondContact O-N 3.32Å; Q579-I582 WeakPolarHBondContact O-CB 3.31Å; Q579-I582 PolarHBondContact O-N 3.37Å; Q579-I582 VanDerWaalsContact O-N 3.15Å |
| 580 | R | 65.4 | Low | 63.8 | Low | 184 Ų | 184 | 123.1 Ų | 123.1 | 69% | 0.694 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.2 | -28.3 | 179.7 | -73.7 | -177.9 | 178.2 | 150.3 | 1.4 | 114.4 | S578 I582 E583 | S578-R580 PolarHBondContact O-N 2.73Å; R580-I582 PolarHBondContact O-N 3.4Å; R580-E583 PolarHBondContact O-N 3.02Å |
| 581 | K | 64.2 | Low | 64.3 | Low | 154 Ų | 154 | 118.7 Ų | 118.7 | 67% | 0.67 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -75.3 | -9.2 | 178.2 | -71.8 | -173.6 | 175.9 | -177.9 | 0 | 113.5 | S578 Q579 F585 | S578-K581 PolarHBondContact O-N 3.03Å; Q579-K581 VanDerWaalsContact C-N 3.29Å; Q579-K581 PolarHBondContact O-N 3.32Å; K581-F585 WeakPolarHBondContact O-CD2 3.29Å |
| 582 | I | 63.9 | Low | 65 | Low | 109 Ų | 109 | 116.1 Ų | 116.1 | 56% | 0.559 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -85.2 | -31.2 | 177.2 | -60.8 | 173.6 | 0 | 0 | 0 | 110.2 | Q579 R580 V586 | Q579-I582 WeakPolarHBondContact O-CB 3.31Å; Q579-I582 PolarHBondContact O-N 3.37Å; Q579-I582 VanDerWaalsContact O-N 3.15Å; R580-I582 PolarHBondContact O-N 3.4Å; I582-V586 WeakPolarHBondContact O-CG2 3.3Å; I582-V586 PolarHBondContact O-N 3.2Å |
| 583 | E | 61 | Low | 66 | Low | 124 Ų | 124 | 117.1 Ų | 117.1 | 58% | 0.579 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.6 | -41.8 | -174.8 | -63.5 | 175.1 | 133.6 | 0 | 0 | 112.1 | R580 F585 V586 | R580-E583 PolarHBondContact O-N 3.02Å; E583-F585 PolarHBondContact O-N 3.31Å; E583-V586 PolarHBondContact O-N 3.47Å |
| 584 | D | 65.6 | Low | 66.6 | Low | 122 Ų | 122 | 114.9 Ų | 114.9 | 65% | 0.652 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -59.6 | -48.8 | 177.9 | -65.2 | -36.8 | 0 | 0 | 0 | 112.1 | V586 T587 | D584-V586 PolarHBondContact O-N 2.98Å; D584-T587 PolarHBondContact O-N 2.76Å; D584-T587 VanDerWaalsContact O-N 3.16Å; D584-T587 PolarHBondContact O-OG1 3.09Å |
| 585 | F | 65.4 | Low | 67 | Low | 142 Ų | 142 | 114.3 Ų | 114.3 | 62% | 0.623 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.9 | -26 | -179.1 | -81.4 | -61.9 | 0 | 0 | 0 | 113.9 | K581 E583 T587 L589 | K581-F585 WeakPolarHBondContact O-CD2 3.29Å; E583-F585 PolarHBondContact O-N 3.31Å; F585-T587 VanDerWaalsContact C-N 3.35Å; F585-L589 WeakPolarHBondContact O-CG 3.11Å; F585-L589 PolarHBondContact O-N 2.88Å |
| 586 | V | 68.9 | Low | 67.1 | Low | 68 Ų | 68 | 111.7 Ų | 111.7 | 41% | 0.412 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66 | -40.1 | 176.8 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | I582 E583 D584 E588 L589 E590 | I582-V586 WeakPolarHBondContact O-CG2 3.3Å; I582-V586 PolarHBondContact O-N 3.2Å; E583-V586 PolarHBondContact O-N 3.47Å; D584-V586 PolarHBondContact O-N 2.98Å; V586-E588 PolarHBondContact O-N 3.45Å; V586-L589 PolarHBondContact O-N 3.07Å; V586-E590 WeakPolarHBondContact O-CG 3.38Å; V586-E590 PolarHBondContact O-N 2.88Å |
| 587 | T | 70.6 | Confident | 67.4 | Low | 94 Ų | 94 | 112.9 Ų | 112.9 | 58% | 0.577 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66 | -38.2 | -175.8 | 67.5 | 0 | 0 | 0 | 0 | 113.2 | D584 F585 E590 S591 | D584-T587 PolarHBondContact O-N 2.76Å; D584-T587 VanDerWaalsContact O-N 3.16Å; D584-T587 PolarHBondContact O-OG1 3.09Å; F585-T587 VanDerWaalsContact C-N 3.35Å; T587-E590 PolarHBondContact O-N 3.38Å; T587-S591 PolarHBondContact O-N 3.01Å |
| 588 | E | 69.5 | Low | 67.8 | Low | 136 Ų | 136 | 113 Ų | 113 | 64% | 0.636 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -72.8 | -33 | 178.9 | -146 | 173.4 | -146.8 | 0 | 0 | 111.9 | V586 T592 | V586-E588 PolarHBondContact O-N 3.45Å; E588-T592 PolarHBondContact O-N 3.16Å; E588-T592 PolarHBondContact O-OG1 2.85Å; E588-T592 VanDerWaalsContact O-OG1 3.08Å |
| 589 | L | 65.1 | Low | 67.9 | Low | 117 Ų | 117 | 112.4 Ų | 112.4 | 61% | 0.613 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.1 | -30.2 | 171.7 | -73.3 | 171.8 | 0 | 0 | 0 | 112.9 | F585 V586 T592 R593 | F585-L589 WeakPolarHBondContact O-CG 3.11Å; F585-L589 PolarHBondContact O-N 2.88Å; V586-L589 PolarHBondContact O-N 3.07Å; L589-T592 PolarHBondContact O-OG1 2.77Å; L589-R593 WeakPolarHBondContact O-CB 3.15Å; L589-R593 PolarHBondContact O-N 3.06Å; L589-R593 VanDerWaalsContact O-N 3.14Å |
| 590 | E | 70.3 | Confident | 68.1 | Low | 105 Ų | 105 | 112.6 Ų | 112.6 | 49% | 0.491 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -74.1 | -40.5 | 176.2 | -70.9 | -167.6 | 133.6 | 0 | 0 | 112.3 | V586 T587 T592 R593 E594 | V586-E590 WeakPolarHBondContact O-CG 3.38Å; V586-E590 PolarHBondContact O-N 2.88Å; T587-E590 PolarHBondContact O-N 3.38Å; E590-T592 PolarHBondContact O-N 2.85Å; E590-R593 WeakPolarHBondContact O-CB 3.47Å; E590-R593 PolarHBondContact O-N 2.8Å; E590-E594 VanDerWaalsContact O-CG 3.25Å; E590-E594 WeakPolarHBondContact O-CG 3.46Å; E590-E594 PolarHBondContact O-N 2.89Å |
| 591 | S | 69 | Low | 68.5 | Low | 86 Ų | 86 | 105.1 Ų | 105.1 | 60% | 0.601 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -57.7 | -49.5 | 173.9 | -177.8 | 0 | 0 | 0 | 0 | 112.5 | T587 R593 E594 | T587-S591 PolarHBondContact O-N 3.01Å; S591-R593 VanDerWaalsContact C-N 3.3Å; S591-R593 PolarHBondContact O-N 3.42Å; S591-E594 PolarHBondContact O-N 3.19Å |
| 592 | T | 68.8 | Low | 69 | Low | 88 Ų | 88 | 105.3 Ų | 105.3 | 54% | 0.54 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.7 | -30.5 | 179 | 51 | 0 | 0 | 0 | 0 | 113 | E588 L589 E590 E594 L596 | E588-T592 PolarHBondContact O-N 3.16Å; E588-T592 PolarHBondContact O-OG1 2.85Å; E588-T592 VanDerWaalsContact O-OG1 3.08Å; L589-T592 PolarHBondContact O-OG1 2.77Å; E590-T592 PolarHBondContact O-N 2.85Å; T592-E594 VanDerWaalsContact C-N 3.3Å; T592-E594 PolarHBondContact O-N 3.14Å; T592-L596 PolarHBondContact O-N 2.94Å |
| 593 | R | 71.9 | Confident | 69.1 | Low | 158 Ų | 158 | 105 Ų | 105 | 60% | 0.596 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.4 | -27 | 174.2 | -176.9 | -177.4 | -171.8 | -170.7 | 5 | 113.2 | L589 E590 S591 K597 | L589-R593 WeakPolarHBondContact O-CB 3.15Å; L589-R593 PolarHBondContact O-N 3.06Å; L589-R593 VanDerWaalsContact O-N 3.14Å; E590-R593 WeakPolarHBondContact O-CB 3.47Å; E590-R593 PolarHBondContact O-N 2.8Å; S591-R593 VanDerWaalsContact C-N 3.3Å; S591-R593 PolarHBondContact O-N 3.42Å; R593-K597 WeakPolarHBondContact O-CG 3.31Å; R593-K597 PolarHBondContact O-N 2.96Å |
| 594 | E | 73.4 | Confident | 69.7 | Low | 115 Ų | 115 | 107.3 Ų | 107.3 | 54% | 0.537 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -81 | -43.6 | -179.7 | -55.1 | -132.7 | 106.7 | 0 | 0 | 112.3 | E590 S591 T592 L596 K597 E598 | E590-E594 VanDerWaalsContact O-CG 3.25Å; E590-E594 WeakPolarHBondContact O-CG 3.46Å; E590-E594 PolarHBondContact O-N 2.89Å; S591-E594 PolarHBondContact O-N 3.19Å; T592-E594 VanDerWaalsContact C-N 3.3Å; T592-E594 PolarHBondContact O-N 3.14Å; E594-L596 PolarHBondContact O-N 2.96Å; E594-K597 WeakPolarHBondContact O-CA 3.48Å; E594-K597 VanDerWaalsContact O-CB 3.32Å; E594-K597 WeakPolarHBondContact O-CB 3.24Å; E594-K597 PolarHBondContact O-N 3.04Å; E594-K597 IonicContact OE1-NZ 2.86Å; E594-K597 PolarHBondContact OE1-NZ 2.94Å; E594-E598 PolarHBondContact O-N 2.94Å |
| 595 | A | 72.3 | Confident | 70.3 | Confident | 67 Ų | 67 | 108 Ų | 108 | 55% | 0.554 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -56.4 | -35.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112 | K597 E598 A599 | A595-K597 VanDerWaalsContact C-N 3.3Å; A595-K597 PolarHBondContact O-N 3.17Å; A595-E598 PolarHBondContact O-N 2.99Å; A595-A599 PolarHBondContact O-N 2.94Å |
| 596 | L | 67.7 | Low | 70.6 | Confident | 93 Ų | 93 | 107 Ų | 107 | 49% | 0.487 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.9 | -22.5 | 174.8 | -168 | 65.8 | 0 | 0 | 0 | 113.6 | T592 E594 K600 | T592-L596 PolarHBondContact O-N 2.94Å; E594-L596 PolarHBondContact O-N 2.96Å; L596-K600 HydrophobicContact CG-CD 4.4Å; L596-K600 WeakPolarHBondContact O-CB 3.47Å; L596-K600 WeakPolarHBondContact O-CD 3.46Å; L596-K600 VanDerWaalsContact O-CG 3.28Å; L596-K600 WeakPolarHBondContact O-CG 3.37Å; L596-K600 PolarHBondContact O-N 3.27Å |
| 597 | K | 72.4 | Confident | 70.8 | Confident | 118 Ų | 118 | 108.7 Ų | 108.7 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -71.5 | -45.1 | 172.7 | -66.7 | 169.1 | -169.7 | 167.3 | 0 | 111 | R593 E594 A595 K600 G601 | R593-K597 WeakPolarHBondContact O-CG 3.31Å; R593-K597 PolarHBondContact O-N 2.96Å; E594-K597 WeakPolarHBondContact O-CA 3.48Å; E594-K597 VanDerWaalsContact O-CB 3.32Å; E594-K597 WeakPolarHBondContact O-CB 3.24Å; E594-K597 PolarHBondContact O-N 3.04Å; E594-K597 IonicContact OE1-NZ 2.86Å; E594-K597 PolarHBondContact OE1-NZ 2.94Å; A595-K597 VanDerWaalsContact C-N 3.3Å; A595-K597 PolarHBondContact O-N 3.17Å; K597-K600 PolarHBondContact O-N 2.74Å; K597-G601 PolarHBondContact O-N 3.32Å |
| 598 | E | 71.1 | Confident | 71.1 | Confident | 126 Ų | 126 | 106.3 Ų | 106.3 | 59% | 0.589 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.7 | -44.2 | -179.7 | -69.3 | -156.5 | 158.9 | 0 | 0 | 112.4 | E594 A595 K600 G601 R602 | E594-E598 PolarHBondContact O-N 2.94Å; A595-E598 PolarHBondContact O-N 2.99Å; E598-K600 VanDerWaalsContact C-N 3.27Å; E598-K600 PolarHBondContact O-N 3.18Å; E598-G601 WeakPolarHBondContact O-CA 3.3Å; E598-G601 PolarHBondContact O-N 2.98Å; E598-R602 PolarHBondContact O-N 2.79Å; E598-R602 IonicContact OE2-NH2 3.6Å; E598-R602 PolarHBondContact OE2-NH2 2.87Å |
| 599 | A | 68.4 | Low | 71.5 | Confident | 56 Ų | 56 | 104.2 Ų | 104.2 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.6 | -41.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A595 G601 R602 Q603 | A595-A599 PolarHBondContact O-N 2.94Å; A599-G601 VanDerWaalsContact C-N 3.29Å; A599-G601 PolarHBondContact O-N 3.38Å; A599-R602 PolarHBondContact O-N 3.3Å; A599-Q603 PolarHBondContact O-N 2.81Å |
| 600 | K | 66.3 | Low | 71.9 | Confident | 102 Ų | 102 | 103.2 Ų | 103.2 | 44% | 0.443 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.3 | -21.1 | 174.9 | -72.8 | 174.4 | 179.7 | 176.9 | 0 | 113.7 | L596 K597 E598 R604 | L596-K600 HydrophobicContact CG-CD 4.4Å; L596-K600 WeakPolarHBondContact O-CB 3.47Å; L596-K600 WeakPolarHBondContact O-CD 3.46Å; L596-K600 VanDerWaalsContact O-CG 3.28Å; L596-K600 WeakPolarHBondContact O-CG 3.37Å; L596-K600 PolarHBondContact O-N 3.27Å; K597-K600 PolarHBondContact O-N 2.74Å; E598-K600 VanDerWaalsContact C-N 3.27Å; E598-K600 PolarHBondContact O-N 3.18Å; K600-R604 VanDerWaalsContact O-CD 3.31Å; K600-R604 WeakPolarHBondContact O-CD 3.37Å; K600-R604 VanDerWaalsContact O-CG 3.23Å; K600-R604 WeakPolarHBondContact O-CG 3.47Å; K600-R604 PolarHBondContact O-N 2.79Å |
| 601 | G | 73.3 | Confident | 72.2 | Confident | 27 Ų | 27 | 99.6 Ų | 99.6 | 28% | 0.278 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.5 | -57.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | K597 E598 A599 Q603 R604 E605 | K597-G601 PolarHBondContact O-N 3.32Å; E598-G601 WeakPolarHBondContact O-CA 3.3Å; E598-G601 PolarHBondContact O-N 2.98Å; A599-G601 VanDerWaalsContact C-N 3.29Å; A599-G601 PolarHBondContact O-N 3.38Å; G601-Q603 VanDerWaalsContact C-N 3.27Å; G601-Q603 PolarHBondContact O-N 3.01Å; G601-R604 WeakPolarHBondContact O-CB 3.45Å; G601-R604 PolarHBondContact O-N 2.99Å; G601-E605 PolarHBondContact O-N 2.85Å; G601-E605 VanDerWaalsContact O-N 3.15Å |
| 602 | R | 73.5 | Confident | 72.7 | Confident | 158 Ų | 158 | 101.3 Ų | 101.3 | 60% | 0.596 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.3 | -34 | -179.6 | -59.9 | -179.5 | -166 | 144.8 | 15.6 | 112.6 | E598 A599 E605 L606 | E598-R602 PolarHBondContact O-N 2.79Å; E598-R602 IonicContact OE2-NH2 3.6Å; E598-R602 PolarHBondContact OE2-NH2 2.87Å; A599-R602 PolarHBondContact O-N 3.3Å; R602-E605 PolarHBondContact O-N 3.45Å; R602-L606 PolarHBondContact O-N 2.97Å |
| 603 | Q | 67.1 | Low | 73.1 | Confident | 104 Ų | 104 | 101.1 Ų | 101.1 | 49% | 0.486 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.5 | -47.6 | 171.9 | -178.4 | 179.1 | -15.4 | 0 | 0 | 111.7 | A599 G601 E605 L606 E607 | A599-Q603 PolarHBondContact O-N 2.81Å; G601-Q603 VanDerWaalsContact C-N 3.27Å; G601-Q603 PolarHBondContact O-N 3.01Å; Q603-E605 VanDerWaalsContact C-N 3.32Å; Q603-E605 PolarHBondContact O-N 3.05Å; Q603-L606 PolarHBondContact O-N 3.15Å; Q603-E607 HydrophobicContact CG-CG 4.36Å; Q603-E607 WeakPolarHBondContact CG-OE1 3.47Å; Q603-E607 PolarHBondContact NE2-OE1 3.2Å; Q603-E607 WeakPolarHBondContact O-CB 3.3Å; Q603-E607 VanDerWaalsContact O-CG 3.31Å; Q603-E607 WeakPolarHBondContact O-CG 3.43Å; Q603-E607 PolarHBondContact O-N 3.43Å |
| 604 | R | 74.2 | Confident | 73.3 | Confident | 171 Ų | 171 | 97.5 Ų | 97.5 | 65% | 0.645 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.5 | -32.7 | 179.8 | -72.4 | 165 | 178.2 | 172 | -3.6 | 113.4 | K600 G601 A608 | K600-R604 VanDerWaalsContact O-CD 3.31Å; K600-R604 WeakPolarHBondContact O-CD 3.37Å; K600-R604 VanDerWaalsContact O-CG 3.23Å; K600-R604 WeakPolarHBondContact O-CG 3.47Å; K600-R604 PolarHBondContact O-N 2.79Å; G601-R604 WeakPolarHBondContact O-CB 3.45Å; G601-R604 PolarHBondContact O-N 2.99Å; R604-A608 VanDerWaalsContact O-CB 3.26Å; R604-A608 WeakPolarHBondContact O-CB 3.36Å; R604-A608 PolarHBondContact O-N 3.29Å |
| 605 | E | 76.3 | Confident | 73.5 | Confident | 136 Ų | 136 | 95.5 Ų | 95.5 | 64% | 0.636 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.1 | -41.6 | 176.4 | -69.6 | 169.2 | 164.2 | 0 | 0 | 111.2 | G601 R602 Q603 A608 E609 | G601-E605 PolarHBondContact O-N 2.85Å; G601-E605 VanDerWaalsContact O-N 3.15Å; R602-E605 PolarHBondContact O-N 3.45Å; Q603-E605 VanDerWaalsContact C-N 3.32Å; Q603-E605 PolarHBondContact O-N 3.05Å; E605-A608 PolarHBondContact O-N 2.93Å; E605-E609 PolarHBondContact O-N 3.13Å; E605-E609 VanDerWaalsContact O-N 3.08Å |
| 606 | L | 73.6 | Confident | 73.7 | Confident | 122 Ų | 122 | 98.5 Ų | 98.5 | 64% | 0.639 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.6 | -43 | 172.4 | -74.2 | 165 | 0 | 0 | 0 | 112.2 | R602 Q603 A608 E609 V610 | R602-L606 PolarHBondContact O-N 2.97Å; Q603-L606 PolarHBondContact O-N 3.15Å; L606-A608 VanDerWaalsContact C-N 3.27Å; L606-A608 PolarHBondContact O-N 2.95Å; L606-E609 PolarHBondContact O-N 3.25Å; L606-V610 WeakPolarHBondContact O-CG2 3.25Å; L606-V610 PolarHBondContact O-N 2.87Å |
| 607 | E | 72.2 | Confident | 74 | Confident | 103 Ų | 103 | 100.2 Ų | 100.2 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.8 | -37.1 | 173.8 | -73.1 | 167.3 | 170.9 | 0 | 0 | 111.7 | Q603 G611 | Q603-E607 HydrophobicContact CG-CG 4.36Å; Q603-E607 WeakPolarHBondContact CG-OE1 3.47Å; Q603-E607 PolarHBondContact NE2-OE1 3.2Å; Q603-E607 WeakPolarHBondContact O-CB 3.3Å; Q603-E607 VanDerWaalsContact O-CG 3.31Å; Q603-E607 WeakPolarHBondContact O-CG 3.43Å; Q603-E607 PolarHBondContact O-N 3.43Å; E607-G611 PolarHBondContact O-N 3.29Å |
| 608 | A | 77.1 | Confident | 74.3 | Confident | 44 Ų | 44 | 100.2 Ų | 100.2 | 36% | 0.364 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.3 | -33.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R604 E605 L606 G611 R612 | R604-A608 VanDerWaalsContact O-CB 3.26Å; R604-A608 WeakPolarHBondContact O-CB 3.36Å; R604-A608 PolarHBondContact O-N 3.29Å; E605-A608 PolarHBondContact O-N 2.93Å; L606-A608 VanDerWaalsContact C-N 3.27Å; L606-A608 PolarHBondContact O-N 2.95Å; A608-G611 PolarHBondContact O-N 3.32Å; A608-R612 WeakPolarHBondContact O-CG 3.35Å; A608-R612 PolarHBondContact O-N 2.86Å |
| 609 | E | 77.6 | Confident | 74.7 | Confident | 93 Ų | 93 | 99.2 Ų | 99.2 | 44% | 0.435 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.1 | -44.2 | 174.1 | -164 | 66.5 | -92.8 | 0 | 0 | 111.8 | E605 L606 G611 R612 V613 | E605-E609 PolarHBondContact O-N 3.13Å; E605-E609 VanDerWaalsContact O-N 3.08Å; L606-E609 PolarHBondContact O-N 3.25Å; E609-G611 PolarHBondContact O-N 2.83Å; E609-R612 PolarHBondContact O-N 2.88Å; E609-R612 VanDerWaalsContact O-N 3.12Å; E609-R612 IonicContact OE1-CZ 3.78Å; E609-R612 IonicContact OE1-NE 2.73Å; E609-R612 PolarHBondContact OE1-NE 3.35Å; E609-R612 IonicContact OE1-NH2 3.18Å; E609-R612 PolarHBondContact OE1-NH2 2.85Å; E609-R612 IonicContact OE2-CZ 2.77Å; E609-R612 IonicContact OE2-NE 2.67Å; E609-R612 IonicContact OE2-NH2 3.26Å; E609-R612 PolarHBondContact OE2-NH2 3.26Å; E609-V613 WeakPolarHBondContact O-CG2 3.48Å; E609-V613 PolarHBondContact O-N 3.01Å |
| 610 | V | 72.7 | Confident | 75.1 | Confident | 95 Ų | 95 | 99.2 Ų | 99.2 | 58% | 0.576 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -57.5 | -39.7 | 170.1 | 172.7 | 0 | 0 | 0 | 0 | 110 | L606 T614 | L606-V610 WeakPolarHBondContact O-CG2 3.25Å; L606-V610 PolarHBondContact O-N 2.87Å; V610-T614 WeakPolarHBondContact O-CB 3.34Å; V610-T614 PolarHBondContact O-N 3.22Å; V610-T614 PolarHBondContact O-OG1 2.82Å |
| 611 | G | 77.6 | Confident | 75.4 | Confident | 30 Ų | 30 | 99.5 Ų | 99.5 | 31% | 0.309 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.3 | -48.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E607 A608 E609 T614 C615 | E607-G611 PolarHBondContact O-N 3.29Å; A608-G611 PolarHBondContact O-N 3.32Å; E609-G611 PolarHBondContact O-N 2.83Å; G611-T614 PolarHBondContact O-N 2.89Å; G611-C615 PolarHBondContact O-N 3.3Å; G611-C615 PolarHBondContact O-SG 3.35Å; G611-C615 VanDerWaalsContact O-SG 3.33Å |
| 612 | R | 80.3 | Confident | 75.7 | Confident | 122 Ų | 122 | 101.2 Ų | 101.2 | 46% | 0.46 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.2 | -49.9 | 176.8 | -78.8 | -173.5 | -70.4 | -88.7 | 8.8 | 112.5 | A608 E609 T614 C615 Q616 | A608-R612 WeakPolarHBondContact O-CG 3.35Å; A608-R612 PolarHBondContact O-N 2.86Å; E609-R612 PolarHBondContact O-N 2.88Å; E609-R612 VanDerWaalsContact O-N 3.12Å; E609-R612 IonicContact OE1-CZ 3.78Å; E609-R612 IonicContact OE1-NE 2.73Å; E609-R612 PolarHBondContact OE1-NE 3.35Å; E609-R612 IonicContact OE1-NH2 3.18Å; E609-R612 PolarHBondContact OE1-NH2 2.85Å; E609-R612 IonicContact OE2-CZ 2.77Å; E609-R612 IonicContact OE2-NE 2.67Å; E609-R612 IonicContact OE2-NH2 3.26Å; E609-R612 PolarHBondContact OE2-NH2 3.26Å; R612-T614 VanDerWaalsContact C-N 3.32Å; R612-T614 PolarHBondContact O-N 3.01Å; R612-C615 PolarHBondContact O-N 3.45Å; R612-Q616 WeakPolarHBondContact O-CG 3.29Å; R612-Q616 PolarHBondContact O-N 3.28Å |
| 613 | V | 76.1 | Confident | 76.3 | Confident | 83 Ų | 83 | 98.7 Ų | 98.7 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.1 | -39 | 178.5 | 176.3 | 0 | 0 | 0 | 0 | 111 | E609 Q616 L617 | E609-V613 WeakPolarHBondContact O-CG2 3.48Å; E609-V613 PolarHBondContact O-N 3.01Å; V613-Q616 PolarHBondContact O-N 3.42Å; V613-L617 WeakPolarHBondContact O-CB 3.35Å; V613-L617 PolarHBondContact O-N 3.37Å |
| 614 | T | 75.8 | Confident | 76.8 | Confident | 82 Ų | 82 | 99.6 Ų | 99.6 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 175.3 | -57 | 0 | 0 | 0 | 0 | 111.6 | V610 G611 R612 L617 K618 | V610-T614 WeakPolarHBondContact O-CB 3.34Å; V610-T614 PolarHBondContact O-N 3.22Å; V610-T614 PolarHBondContact O-OG1 2.82Å; G611-T614 PolarHBondContact O-N 2.89Å; R612-T614 VanDerWaalsContact C-N 3.32Å; R612-T614 PolarHBondContact O-N 3.01Å; T614-L617 PolarHBondContact O-N 2.94Å; T614-K618 VanDerWaalsContact O-CB 3.26Å; T614-K618 WeakPolarHBondContact O-CB 3.47Å; T614-K618 PolarHBondContact O-N 2.65Å |
| 615 | C | 78 | Confident | 77 | Confident | 74 Ų | 74 | 95 Ų | 95 | 50% | 0.5 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 175.4 | -71.5 | 0 | 0 | 0 | 0 | 112 | G611 R612 K618 E619 | G611-C615 PolarHBondContact O-N 3.3Å; G611-C615 PolarHBondContact O-SG 3.35Å; G611-C615 VanDerWaalsContact O-SG 3.33Å; R612-C615 PolarHBondContact O-N 3.45Å; C615-K618 PolarHBondContact O-N 2.94Å; C615-E619 WeakPolarHBondContact O-CB 3.3Å; C615-E619 WeakPolarHBondContact O-CG 3.47Å; C615-E619 PolarHBondContact O-N 3.49Å |
| 616 | Q | 76.9 | Confident | 77.4 | Confident | 130 Ų | 130 | 94.3 Ų | 94.3 | 61% | 0.607 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.9 | -42.9 | 176.9 | -72.8 | 177.3 | -5.8 | 0 | 0 | 112.5 | R612 V613 K618 E619 A620 | R612-Q616 WeakPolarHBondContact O-CG 3.29Å; R612-Q616 PolarHBondContact O-N 3.28Å; V613-Q616 PolarHBondContact O-N 3.42Å; Q616-K618 VanDerWaalsContact C-N 3.31Å; Q616-E619 PolarHBondContact O-N 2.97Å; Q616-A620 WeakPolarHBondContact O-CB 3.47Å; Q616-A620 PolarHBondContact O-N 2.9Å |
| 617 | L | 74.1 | Confident | 77.6 | Confident | 128 Ų | 128 | 94.6 Ų | 94.6 | 67% | 0.67 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.6 | -38.8 | 175.3 | -171.8 | 67.9 | 0 | 0 | 0 | 111.2 | V613 T614 A620 M621 | V613-L617 WeakPolarHBondContact O-CB 3.35Å; V613-L617 PolarHBondContact O-N 3.37Å; T614-L617 PolarHBondContact O-N 2.94Å; L617-A620 PolarHBondContact O-N 2.93Å; L617-M621 WeakPolarHBondContact O-CB 3.45Å; L617-M621 PolarHBondContact O-N 3.25Å |
| 618 | K | 77.6 | Confident | 77.7 | Confident | 118 Ų | 118 | 94.9 Ų | 94.9 | 51% | 0.513 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.7 | -48.4 | 175.7 | -164.3 | -167.3 | 173.9 | -157.7 | 0 | 111.6 | T614 C615 Q616 A620 M621 D622 | T614-K618 VanDerWaalsContact O-CB 3.26Å; T614-K618 WeakPolarHBondContact O-CB 3.47Å; T614-K618 PolarHBondContact O-N 2.65Å; C615-K618 PolarHBondContact O-N 2.94Å; Q616-K618 VanDerWaalsContact C-N 3.31Å; K618-A620 PolarHBondContact O-N 2.92Å; K618-M621 CarbonylContact O-C 3.6Å; K618-M621 PolarHBondContact O-N 3.48Å; K618-D622 VanDerWaalsContact CE-OD2 3.25Å; K618-D622 WeakPolarHBondContact CE-OD2 3.19Å; K618-D622 IonicContact NZ-OD2 3.72Å; K618-D622 WeakPolarHBondContact O-CB 3.45Å; K618-D622 PolarHBondContact O-N 3.13Å |
| 619 | E | 81.3 | Confident | 77.7 | Confident | 105 Ų | 105 | 98.1 Ų | 98.1 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.8 | -33.2 | 175.5 | -77.2 | -179.3 | -141.2 | 0 | 0 | 113 | C615 Q616 K623 | C615-E619 WeakPolarHBondContact O-CB 3.3Å; C615-E619 WeakPolarHBondContact O-CG 3.47Å; C615-E619 PolarHBondContact O-N 3.49Å; Q616-E619 PolarHBondContact O-N 2.97Å; E619-K623 WeakPolarHBondContact O-CB 3.48Å; E619-K623 VanDerWaalsContact O-CD 3.27Å; E619-K623 WeakPolarHBondContact O-CD 3.43Å; E619-K623 WeakPolarHBondContact O-CG 3.28Å; E619-K623 PolarHBondContact O-N 3.19Å; E619-K623 IonicContact OE2-NZ 2.65Å; E619-K623 PolarHBondContact OE2-NZ 3.07Å |
| 620 | A | 75.9 | Confident | 77.9 | Confident | 56 Ų | 56 | 98.7 Ų | 98.7 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -72.6 | -37 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q616 L617 K618 M624 | Q616-A620 WeakPolarHBondContact O-CB 3.47Å; Q616-A620 PolarHBondContact O-N 2.9Å; L617-A620 PolarHBondContact O-N 2.93Å; K618-A620 PolarHBondContact O-N 2.92Å; A620-M624 WeakPolarHBondContact O-CB 3.31Å; A620-M624 PolarHBondContact O-N 3.1Å |
| 621 | M | 72.1 | Confident | 78.1 | Confident | 109 Ų | 109 | 98.2 Ų | 98.2 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71.7 | -45 | 175.5 | -170.5 | 173.7 | 70 | 0 | 0 | 111.8 | L617 K618 K623 M624 V625 | L617-M621 WeakPolarHBondContact O-CB 3.45Å; L617-M621 PolarHBondContact O-N 3.25Å; K618-M621 CarbonylContact O-C 3.6Å; K618-M621 PolarHBondContact O-N 3.48Å; M621-K623 VanDerWaalsContact C-N 3.34Å; M621-K623 PolarHBondContact O-N 3.26Å; M621-M624 CarbonylContact O-C 3.58Å; M621-M624 WeakPolarHBondContact O-CB 3.41Å; M621-M624 PolarHBondContact O-N 3.21Å; M621-M624 VanDerWaalsContact O-N 3.07Å; M621-V625 WeakPolarHBondContact O-CG2 3.48Å; M621-V625 PolarHBondContact O-N 3.48Å |
| 622 | D | 80.6 | Confident | 78 | Confident | 63 Ų | 63 | 101.3 Ų | 101.3 | 34% | 0.337 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.1 | -44.4 | 177.7 | -67.1 | -10.5 | 0 | 0 | 0 | 109.8 | K618 M624 V625 E626 | K618-D622 VanDerWaalsContact CE-OD2 3.25Å; K618-D622 WeakPolarHBondContact CE-OD2 3.19Å; K618-D622 IonicContact NZ-OD2 3.72Å; K618-D622 WeakPolarHBondContact O-CB 3.45Å; K618-D622 PolarHBondContact O-N 3.13Å; D622-M624 VanDerWaalsContact C-N 3.35Å; D622-M624 PolarHBondContact O-N 2.98Å; D622-V625 WeakPolarHBondContact O-CB 3.26Å; D622-V625 PolarHBondContact O-N 3.46Å; D622-E626 WeakPolarHBondContact O-CG 3.28Å; D622-E626 PolarHBondContact O-N 3.43Å |
| 623 | K | 84.4 | Confident | 78.2 | Confident | 105 Ų | 105 | 99.4 Ų | 99.4 | 46% | 0.457 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -32.9 | 173.5 | -72.9 | 165.3 | -170.5 | 143 | 0 | 113.9 | E619 M621 Q627 | E619-K623 WeakPolarHBondContact O-CB 3.48Å; E619-K623 VanDerWaalsContact O-CD 3.27Å; E619-K623 WeakPolarHBondContact O-CD 3.43Å; E619-K623 WeakPolarHBondContact O-CG 3.28Å; E619-K623 PolarHBondContact O-N 3.19Å; E619-K623 IonicContact OE2-NZ 2.65Å; E619-K623 PolarHBondContact OE2-NZ 3.07Å; M621-K623 VanDerWaalsContact C-N 3.34Å; M621-K623 PolarHBondContact O-N 3.26Å; K623-Q627 WeakPolarHBondContact O-CG 3.49Å; K623-Q627 PolarHBondContact O-N 2.59Å; K623-Q627 VanDerWaalsContact O-N 3.12Å |
| 624 | M | 78.4 | Confident | 78.7 | Confident | 123 Ų | 123 | 102.3 Ų | 102.3 | 61% | 0.606 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -71.3 | -37.3 | 174.6 | -170.6 | -170 | -56.2 | 0 | 0 | 111.2 | A620 M621 D622 K628 | A620-M624 WeakPolarHBondContact O-CB 3.31Å; A620-M624 PolarHBondContact O-N 3.1Å; M621-M624 CarbonylContact O-C 3.58Å; M621-M624 WeakPolarHBondContact O-CB 3.41Å; M621-M624 PolarHBondContact O-N 3.21Å; M621-M624 VanDerWaalsContact O-N 3.07Å; D622-M624 VanDerWaalsContact C-N 3.35Å; D622-M624 PolarHBondContact O-N 2.98Å; M624-K628 WeakPolarHBondContact O-CG 3.31Å; M624-K628 PolarHBondContact O-N 3.48Å; M624-K628 VanDerWaalsContact O-N 3.08Å |
| 625 | V | 79.6 | Confident | 78.8 | Confident | 74 Ų | 74 | 102.9 Ų | 102.9 | 45% | 0.448 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.3 | -49.7 | 172.7 | 171.7 | 0 | 0 | 0 | 0 | 109.9 | M621 D622 Q627 K628 E629 | M621-V625 WeakPolarHBondContact O-CG2 3.48Å; M621-V625 PolarHBondContact O-N 3.48Å; D622-V625 WeakPolarHBondContact O-CB 3.26Å; D622-V625 PolarHBondContact O-N 3.46Å; V625-Q627 VanDerWaalsContact C-N 3.33Å; V625-Q627 PolarHBondContact O-N 2.9Å; V625-K628 CarbonylContact O-C 3.59Å; V625-K628 PolarHBondContact O-N 2.81Å; V625-E629 VanDerWaalsContact O-CB 3.24Å; V625-E629 WeakPolarHBondContact O-CB 3.24Å; V625-E629 PolarHBondContact O-N 2.77Å |
| 626 | E | 82.6 | Confident | 79 | Confident | 122 Ų | 122 | 106 Ų | 106 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -52.1 | -48 | 175.3 | -74.6 | 175 | 153.6 | 0 | 0 | 111.9 | D622 K628 E629 E630 | D622-E626 WeakPolarHBondContact O-CG 3.28Å; D622-E626 PolarHBondContact O-N 3.43Å; E626-K628 PolarHBondContact O-N 3.46Å; E626-E629 PolarHBondContact O-N 3.39Å; E626-E630 WeakPolarHBondContact O-CB 3.41Å; E626-E630 WeakPolarHBondContact O-CG 3.25Å; E626-E630 PolarHBondContact O-N 3.45Å |
| 627 | Q | 78.5 | Confident | 79.3 | Confident | 128 Ų | 128 | 101.2 Ų | 101.2 | 60% | 0.598 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.8 | -38.8 | 177.7 | -74.1 | 178.4 | -2.3 | 0 | 0 | 113.3 | K623 V625 E631 | K623-Q627 WeakPolarHBondContact O-CG 3.49Å; K623-Q627 PolarHBondContact O-N 2.59Å; K623-Q627 VanDerWaalsContact O-N 3.12Å; V625-Q627 VanDerWaalsContact C-N 3.33Å; V625-Q627 PolarHBondContact O-N 2.9Å; Q627-E631 WeakPolarHBondContact O-CG 3.31Å; Q627-E631 PolarHBondContact O-N 3.01Å; Q627-E631 VanDerWaalsContact O-N 3.11Å |
| 628 | K | 74.3 | Confident | 79.7 | Confident | 109 Ų | 109 | 102.6 Ų | 102.6 | 47% | 0.474 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -75.3 | -31.9 | 177.1 | -72 | -70.8 | 152.9 | -157.4 | 0 | 112.5 | M624 V625 E626 E631 I632 | M624-K628 WeakPolarHBondContact O-CG 3.31Å; M624-K628 PolarHBondContact O-N 3.48Å; M624-K628 VanDerWaalsContact O-N 3.08Å; V625-K628 CarbonylContact O-C 3.59Å; V625-K628 PolarHBondContact O-N 2.81Å; E626-K628 PolarHBondContact O-N 3.46Å; K628-E631 WeakPolarHBondContact CD-OE2 3.42Å; K628-E631 VanDerWaalsContact NZ-CD 3.32Å; K628-E631 IonicContact NZ-OE1 3.84Å; K628-E631 PolarHBondContact NZ-OE1 3.48Å; K628-E631 IonicContact NZ-OE2 3.81Å; K628-E631 PolarHBondContact NZ-OE2 3.3Å; K628-E631 PolarHBondContact O-N 3.37Å; K628-I632 WeakPolarHBondContact O-CB 3.31Å; K628-I632 WeakPolarHBondContact O-CD1 3.4Å; K628-I632 WeakPolarHBondContact O-CG1 3.32Å; K628-I632 PolarHBondContact O-N 3.3Å |
| 629 | E | 78.2 | Confident | 79.6 | Confident | 111 Ų | 111 | 100 Ų | 100 | 52% | 0.519 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -74.6 | -35.3 | 176.5 | -165.8 | 144.8 | -140.5 | 0 | 0 | 110.8 | V625 E626 I632 N633 | V625-E629 VanDerWaalsContact O-CB 3.24Å; V625-E629 WeakPolarHBondContact O-CB 3.24Å; V625-E629 PolarHBondContact O-N 2.77Å; E626-E629 PolarHBondContact O-N 3.39Å; E629-I632 PolarHBondContact O-N 3.48Å; E629-N633 WeakPolarHBondContact O-CB 3.34Å; E629-N633 PolarHBondContact O-N 3.11Å; E629-N633 PolarHBondContact O-ND2 2.97Å |
| 630 | E | 81.6 | Confident | 79.6 | Confident | 105 Ų | 105 | 98.7 Ų | 98.7 | 49% | 0.491 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 164.7 | -79.6 | -169.1 | -169.8 | 0 | 0 | 112.8 | E626 N633 R634 | E626-E630 WeakPolarHBondContact O-CB 3.41Å; E626-E630 WeakPolarHBondContact O-CG 3.25Å; E626-E630 PolarHBondContact O-N 3.45Å; E630-N633 PolarHBondContact O-N 3.11Å; E630-R634 WeakPolarHBondContact O-CB 3.23Å; E630-R634 WeakPolarHBondContact O-CG 3.48Å; E630-R634 PolarHBondContact O-N 3.35Å; E630-R634 IonicContact OE2-CZ 2.64Å; E630-R634 IonicContact OE2-NH1 2.68Å; E630-R634 PolarHBondContact OE2-NH1 2.85Å; E630-R634 IonicContact OE2-NH2 3.74Å; E630-R634 PolarHBondContact OE2-NH2 3.47Å |
| 631 | E | 76.3 | Confident | 79.9 | Confident | 86 Ų | 86 | 100.7 Ų | 100.7 | 40% | 0.402 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 175.6 | -77.6 | 177.3 | -172.8 | 0 | 0 | 111.6 | Q627 K628 N633 R634 V635 | Q627-E631 WeakPolarHBondContact O-CG 3.31Å; Q627-E631 PolarHBondContact O-N 3.01Å; Q627-E631 VanDerWaalsContact O-N 3.11Å; K628-E631 WeakPolarHBondContact CD-OE2 3.42Å; K628-E631 VanDerWaalsContact NZ-CD 3.32Å; K628-E631 IonicContact NZ-OE1 3.84Å; K628-E631 PolarHBondContact NZ-OE1 3.48Å; K628-E631 IonicContact NZ-OE2 3.81Å; K628-E631 PolarHBondContact NZ-OE2 3.3Å; K628-E631 PolarHBondContact O-N 3.37Å; E631-N633 VanDerWaalsContact C-N 3.3Å; E631-N633 PolarHBondContact O-N 3.01Å; E631-R634 PolarHBondContact O-N 2.85Å; E631-V635 WeakPolarHBondContact O-CG2 3.37Å; E631-V635 PolarHBondContact O-N 2.77Å |
| 632 | I | 76.3 | Confident | 80.1 | Confident | 94 Ų | 94 | 98.4 Ų | 98.4 | 48% | 0.482 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.4 | -40.7 | 175 | -72.7 | 163.6 | 0 | 0 | 0 | 110.6 | K628 E629 V635 R636 | K628-I632 WeakPolarHBondContact O-CB 3.31Å; K628-I632 WeakPolarHBondContact O-CD1 3.4Å; K628-I632 WeakPolarHBondContact O-CG1 3.32Å; K628-I632 PolarHBondContact O-N 3.3Å; E629-I632 PolarHBondContact O-N 3.48Å; I632-V635 PolarHBondContact O-N 2.92Å; I632-R636 WeakPolarHBondContact O-CB 3.47Å; I632-R636 PolarHBondContact O-N 3.23Å |
| 633 | N | 83.6 | Confident | 80.1 | Confident | 83 Ų | 83 | 100.6 Ų | 100.6 | 44% | 0.444 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -73.1 | -31.7 | 178.8 | -70.9 | -29 | 0 | 0 | 0 | 112.6 | E629 E630 E631 G637 | E629-N633 WeakPolarHBondContact O-CB 3.34Å; E629-N633 PolarHBondContact O-N 3.11Å; E629-N633 PolarHBondContact O-ND2 2.97Å; E630-N633 PolarHBondContact O-N 3.11Å; E631-N633 VanDerWaalsContact C-N 3.3Å; E631-N633 PolarHBondContact O-N 3.01Å; N633-G637 PolarHBondContact O-N 3.47Å |
| 634 | R | 86.6 | Confident | 80 | Confident | 143 Ų | 143 | 102.3 Ų | 102.3 | 54% | 0.54 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.3 | -44.6 | 169.7 | -77.4 | -177.4 | -76 | -101.5 | 0.3 | 111.7 | E630 E631 W638 | E630-R634 WeakPolarHBondContact O-CB 3.23Å; E630-R634 WeakPolarHBondContact O-CG 3.48Å; E630-R634 PolarHBondContact O-N 3.35Å; E630-R634 IonicContact OE2-CZ 2.64Å; E630-R634 IonicContact OE2-NH1 2.68Å; E630-R634 PolarHBondContact OE2-NH1 2.85Å; E630-R634 IonicContact OE2-NH2 3.74Å; E630-R634 PolarHBondContact OE2-NH2 3.47Å; E631-R634 PolarHBondContact O-N 2.85Å; R634-W638 PolarHBondContact O-N 2.68Å |
| 635 | V | 77.8 | Confident | 80.1 | Confident | 95 Ų | 95 | 103 Ų | 103 | 58% | 0.576 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.4 | -46.9 | 176.3 | 174 | 0 | 0 | 0 | 0 | 110.8 | E631 I632 G637 W638 T639 | E631-V635 WeakPolarHBondContact O-CG2 3.37Å; E631-V635 PolarHBondContact O-N 2.77Å; I632-V635 PolarHBondContact O-N 2.92Å; V635-G637 PolarHBondContact O-N 3.26Å; V635-W638 PolarHBondContact O-N 2.85Å; V635-T639 PolarHBondContact O-N 3.12Å; V635-T639 PolarHBondContact O-OG1 2.9Å; V635-T639 VanDerWaalsContact O-OG1 3.12Å |
| 636 | R | 83.3 | Confident | 80.2 | Confident | 139 Ų | 139 | 104.8 Ų | 104.8 | 53% | 0.525 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.3 | -50.7 | 177.1 | -173.1 | -161.8 | -62.3 | -85.9 | 0.4 | 111.1 | I632 W638 T639 D640 | I632-R636 WeakPolarHBondContact O-CB 3.47Å; I632-R636 PolarHBondContact O-N 3.23Å; R636-W638 VanDerWaalsContact C-N 3.28Å; R636-W638 PolarHBondContact O-N 2.84Å; R636-T639 CarbonylContact O-C 3.57Å; R636-T639 WeakPolarHBondContact O-CB 3.45Å; R636-T639 PolarHBondContact O-N 3.45Å; R636-D640 WeakPolarHBondContact CG-OD2 3.29Å; R636-D640 WeakPolarHBondContact O-CB 3.46Å; R636-D640 VanDerWaalsContact O-CG 3.23Å; R636-D640 PolarHBondContact O-N 2.81Å |
| 637 | G | 82.4 | Confident | 80.2 | Confident | 30 Ų | 30 | 103.5 Ų | 103.5 | 31% | 0.309 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.9 | -37.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | N633 V635 E641 | N633-G637 PolarHBondContact O-N 3.47Å; V635-G637 PolarHBondContact O-N 3.26Å; G637-E641 WeakPolarHBondContact O-CB 3.37Å; G637-E641 WeakPolarHBondContact O-CG 3.34Å; G637-E641 PolarHBondContact O-N 3.5Å |
| 638 | W | 83.3 | Confident | 80.2 | Confident | 156 Ų | 156 | 100.1 Ų | 100.1 | 59% | 0.591 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.3 | -42.2 | 172.8 | -176.8 | 86.6 | 0 | 0 | 0 | 112.4 | R634 V635 R636 E641 Q642 | R634-W638 PolarHBondContact O-N 2.68Å; V635-W638 PolarHBondContact O-N 2.85Å; R636-W638 VanDerWaalsContact C-N 3.28Å; R636-W638 PolarHBondContact O-N 2.84Å; W638-E641 PolarHBondContact O-N 3.32Å; W638-Q642 HydrophobicContact CD2-CG 4.23Å; W638-Q642 HydrophobicContact CE3-CG 4.35Å; W638-Q642 HydrophobicContact CH2-CG 4.15Å; W638-Q642 HydrophobicContact CZ2-CG 4.02Å; W638-Q642 HydrophobicContact CZ3-CG 4.31Å; W638-Q642 WeakPolarHBondContact O-CG 3.49Å; W638-Q642 PolarHBondContact O-N 2.85Å |
| 639 | T | 74.6 | Confident | 80.3 | Confident | 64 Ų | 64 | 99.7 Ų | 99.7 | 39% | 0.393 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 174.8 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | V635 R636 Q642 Q643 | V635-T639 PolarHBondContact O-N 3.12Å; V635-T639 PolarHBondContact O-OG1 2.9Å; V635-T639 VanDerWaalsContact O-OG1 3.12Å; R636-T639 CarbonylContact O-C 3.57Å; R636-T639 WeakPolarHBondContact O-CB 3.45Å; R636-T639 PolarHBondContact O-N 3.45Å; T639-Q642 PolarHBondContact O-N 3.4Å; T639-Q643 WeakPolarHBondContact O-CB 3.4Å; T639-Q643 PolarHBondContact O-N 3.27Å |
| 640 | D | 82.2 | Confident | 80.3 | Confident | 78 Ų | 78 | 97 Ų | 97 | 42% | 0.417 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 177.2 | -67.1 | -22.5 | 0 | 0 | 0 | 110.2 | R636 Q642 Q643 E644 | R636-D640 WeakPolarHBondContact CG-OD2 3.29Å; R636-D640 WeakPolarHBondContact O-CB 3.46Å; R636-D640 VanDerWaalsContact O-CG 3.23Å; R636-D640 PolarHBondContact O-N 2.81Å; D640-Q642 PolarHBondContact O-N 3.42Å; D640-Q643 CarbonylContact O-C 3.58Å; D640-Q643 PolarHBondContact O-N 3.49Å; D640-Q643 VanDerWaalsContact O-N 3.16Å; D640-E644 WeakPolarHBondContact O-CG 3.29Å; D640-E644 PolarHBondContact O-N 2.85Å |
| 641 | E | 80.6 | Confident | 80.4 | Confident | 97 Ų | 97 | 97.1 Ų | 97.1 | 45% | 0.453 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.9 | -43.5 | 172.4 | -86.6 | -167.3 | -131.3 | 0 | 0 | 112.8 | G637 W638 Q643 R645 | G637-E641 WeakPolarHBondContact O-CB 3.37Å; G637-E641 WeakPolarHBondContact O-CG 3.34Å; G637-E641 PolarHBondContact O-N 3.5Å; W638-E641 PolarHBondContact O-N 3.32Å; E641-Q643 VanDerWaalsContact C-N 3.35Å; E641-R645 VanDerWaalsContact O-CD 3.3Å; E641-R645 WeakPolarHBondContact O-CD 3.42Å; E641-R645 WeakPolarHBondContact O-CG 3.41Å; E641-R645 PolarHBondContact O-N 2.96Å; E641-R645 PolarHBondContact O-NE 3.36Å; E641-R645 IonicContact OE2-CZ 3.7Å; E641-R645 IonicContact OE2-NE 2.66Å; E641-R645 IonicContact OE2-NH2 3.77Å; E641-R645 PolarHBondContact OE2-NH2 3.46Å |
| 642 | Q | 76.7 | Confident | 80.4 | Confident | 62 Ų | 62 | 96.1 Ų | 96.1 | 29% | 0.29 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.6 | -37.9 | 176 | -62.2 | -54 | -22.4 | 0 | 0 | 111.5 | W638 T639 D640 R645 L646 | W638-Q642 HydrophobicContact CD2-CG 4.23Å; W638-Q642 HydrophobicContact CE3-CG 4.35Å; W638-Q642 HydrophobicContact CH2-CG 4.15Å; W638-Q642 HydrophobicContact CZ2-CG 4.02Å; W638-Q642 HydrophobicContact CZ3-CG 4.31Å; W638-Q642 WeakPolarHBondContact O-CG 3.49Å; W638-Q642 PolarHBondContact O-N 2.85Å; T639-Q642 PolarHBondContact O-N 3.4Å; D640-Q642 PolarHBondContact O-N 3.42Å; Q642-R645 PolarHBondContact O-N 3.48Å; Q642-L646 WeakPolarHBondContact O-CB 3.31Å; Q642-L646 WeakPolarHBondContact O-CG 3.29Å; Q642-L646 PolarHBondContact O-N 3.47Å |
| 643 | Q | 80.1 | Confident | 80.5 | Confident | 109 Ų | 109 | 97.1 Ų | 97.1 | 51% | 0.509 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.9 | -36.5 | 179.7 | -168.5 | 159.7 | -82.4 | 0 | 0 | 112.1 | T639 D640 E641 L646 Q647 | T639-Q643 WeakPolarHBondContact O-CB 3.4Å; T639-Q643 PolarHBondContact O-N 3.27Å; D640-Q643 CarbonylContact O-C 3.58Å; D640-Q643 PolarHBondContact O-N 3.49Å; D640-Q643 VanDerWaalsContact O-N 3.16Å; E641-Q643 VanDerWaalsContact C-N 3.35Å; Q643-L646 PolarHBondContact O-N 2.88Å; Q643-Q647 WeakPolarHBondContact O-CB 3.34Å; Q643-Q647 VanDerWaalsContact O-CG 3.27Å; Q643-Q647 WeakPolarHBondContact O-CG 3.48Å; Q643-Q647 PolarHBondContact O-N 3.5Å |
| 644 | E | 83.5 | Confident | 80.4 | Confident | 141 Ų | 141 | 97.9 Ų | 97.9 | 66% | 0.659 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.5 | -42.4 | 170.4 | -75.6 | -161.8 | 147.5 | 0 | 0 | 111.9 | D640 Q647 A648 | D640-E644 WeakPolarHBondContact O-CG 3.29Å; D640-E644 PolarHBondContact O-N 2.85Å; E644-Q647 PolarHBondContact O-N 3.4Å; E644-A648 WeakPolarHBondContact O-CB 3.42Å; E644-A648 PolarHBondContact O-N 3.41Å |
| 645 | R | 80.9 | Confident | 80.2 | Confident | 137 Ų | 137 | 96 Ų | 96 | 52% | 0.517 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 174.9 | -69.5 | 163.1 | -163.4 | -148.1 | 6.9 | 111.5 | E641 Q642 Q647 A648 E649 | E641-R645 VanDerWaalsContact O-CD 3.3Å; E641-R645 WeakPolarHBondContact O-CD 3.42Å; E641-R645 WeakPolarHBondContact O-CG 3.41Å; E641-R645 PolarHBondContact O-N 2.96Å; E641-R645 PolarHBondContact O-NE 3.36Å; E641-R645 IonicContact OE2-CZ 3.7Å; E641-R645 IonicContact OE2-NE 2.66Å; E641-R645 IonicContact OE2-NH2 3.77Å; E641-R645 PolarHBondContact OE2-NH2 3.46Å; Q642-R645 PolarHBondContact O-N 3.48Å; R645-Q647 PolarHBondContact O-N 3.21Å; R645-A648 PolarHBondContact O-N 2.89Å; R645-E649 WeakPolarHBondContact O-CB 3.39Å; R645-E649 PolarHBondContact O-N 3.41Å |
| 646 | L | 80.4 | Confident | 80.4 | Confident | 112 Ų | 112 | 95.1 Ų | 95.1 | 59% | 0.586 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.3 | -37.7 | 176 | -71.8 | 170 | 0 | 0 | 0 | 112.2 | Q642 Q643 A650 | Q642-L646 WeakPolarHBondContact O-CB 3.31Å; Q642-L646 WeakPolarHBondContact O-CG 3.29Å; Q642-L646 PolarHBondContact O-N 3.47Å; Q643-L646 PolarHBondContact O-N 2.88Å; L646-A650 VanDerWaalsContact O-CB 3.24Å; L646-A650 WeakPolarHBondContact O-CB 3.49Å; L646-A650 PolarHBondContact O-N 3.11Å |
| 647 | Q | 82.2 | Confident | 80.5 | Confident | 94 Ų | 94 | 94 Ų | 94 | 44% | 0.439 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.6 | -36 | 173.9 | -76.4 | -176.2 | 27.6 | 0 | 0 | 112.8 | Q643 E644 R645 A650 K651 | Q643-Q647 WeakPolarHBondContact O-CB 3.34Å; Q643-Q647 VanDerWaalsContact O-CG 3.27Å; Q643-Q647 WeakPolarHBondContact O-CG 3.48Å; Q643-Q647 PolarHBondContact O-N 3.5Å; E644-Q647 PolarHBondContact O-N 3.4Å; R645-Q647 PolarHBondContact O-N 3.21Å; Q647-A650 PolarHBondContact O-N 2.93Å; Q647-K651 WeakPolarHBondContact O-CB 3.39Å; Q647-K651 WeakPolarHBondContact O-CD 3.33Å; Q647-K651 WeakPolarHBondContact O-CG 3.14Å; Q647-K651 PolarHBondContact O-N 2.99Å |
| 648 | A | 78.6 | Confident | 80.9 | Confident | 57 Ų | 57 | 97.5 Ų | 97.5 | 47% | 0.471 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.9 | -42.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | E644 R645 K651 S652 | E644-A648 WeakPolarHBondContact O-CB 3.42Å; E644-A648 PolarHBondContact O-N 3.41Å; R645-A648 PolarHBondContact O-N 2.89Å; A648-K651 PolarHBondContact O-N 3.04Å; A648-S652 WeakPolarHBondContact O-CB 3.49Å; A648-S652 PolarHBondContact O-N 3.45Å |
| 649 | E | 76.4 | Confident | 81 | Confident | 100 Ų | 100 | 92.5 Ų | 92.5 | 47% | 0.467 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 173.5 | -162.6 | -170.3 | 162.3 | 0 | 0 | 111.6 | R645 K653 | R645-E649 WeakPolarHBondContact O-CB 3.39Å; R645-E649 PolarHBondContact O-N 3.41Å; E649-K653 VanDerWaalsContact CD-NZ 3.33Å; E649-K653 HydrophobicContact CG-CD 4.47Å; E649-K653 WeakPolarHBondContact O-CB 3.44Å; E649-K653 VanDerWaalsContact O-CG 3.28Å; E649-K653 WeakPolarHBondContact O-CG 3.38Å; E649-K653 PolarHBondContact O-N 3.36Å; E649-K653 VanDerWaalsContact OE1-CE 3.26Å; E649-K653 WeakPolarHBondContact OE1-CE 3.31Å; E649-K653 IonicContact OE1-NZ 2.64Å; E649-K653 PolarHBondContact OE1-NZ 2.67Å |
| 650 | A | 79.2 | Confident | 81.4 | Confident | 55 Ų | 55 | 94.2 Ų | 94.2 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.4 | -45.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | L646 Q647 K653 E654 | L646-A650 VanDerWaalsContact O-CB 3.24Å; L646-A650 WeakPolarHBondContact O-CB 3.49Å; L646-A650 PolarHBondContact O-N 3.11Å; Q647-A650 PolarHBondContact O-N 2.93Å; A650-K653 PolarHBondContact O-N 3.08Å; A650-E654 WeakPolarHBondContact O-CB 3.44Å; A650-E654 PolarHBondContact O-N 3.42Å |
| 651 | K | 82.6 | Confident | 81.7 | Confident | 108 Ų | 108 | 96.1 Ų | 96.1 | 47% | 0.47 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 175.4 | -75.3 | 164.5 | -174.4 | 168.6 | 0 | 111.6 | Q647 A648 K653 E654 E655 | Q647-K651 WeakPolarHBondContact O-CB 3.39Å; Q647-K651 WeakPolarHBondContact O-CD 3.33Å; Q647-K651 WeakPolarHBondContact O-CG 3.14Å; Q647-K651 PolarHBondContact O-N 2.99Å; A648-K651 PolarHBondContact O-N 3.04Å; K651-K653 VanDerWaalsContact C-N 3.32Å; K651-K653 PolarHBondContact O-N 2.95Å; K651-E654 PolarHBondContact O-N 3.17Å; K651-E654 VanDerWaalsContact O-N 3.15Å; K651-E655 WeakPolarHBondContact O-CB 3.32Å; K651-E655 WeakPolarHBondContact O-CG 3.35Å; K651-E655 PolarHBondContact O-N 2.95Å |
| 652 | S | 77.8 | Confident | 81.8 | Confident | 64 Ų | 64 | 97.5 Ų | 97.5 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.4 | -38.9 | 176.6 | -178.9 | 0 | 0 | 0 | 0 | 112.4 | A648 S656 | A648-S652 WeakPolarHBondContact O-CB 3.49Å; A648-S652 PolarHBondContact O-N 3.45Å; S652-S656 WeakPolarHBondContact O-CB 3.36Å; S652-S656 PolarHBondContact O-N 2.86Å; S652-S656 PolarHBondContact O-OG 3.44Å |
| 653 | K | 78.3 | Confident | 82.1 | Confident | 115 Ų | 115 | 98.7 Ų | 98.7 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.1 | -40.5 | 172.6 | -72.4 | 167.8 | -175.7 | 169.7 | 0 | 112.3 | E649 A650 K651 S656 L657 | E649-K653 VanDerWaalsContact CD-NZ 3.33Å; E649-K653 HydrophobicContact CG-CD 4.47Å; E649-K653 WeakPolarHBondContact O-CB 3.44Å; E649-K653 VanDerWaalsContact O-CG 3.28Å; E649-K653 WeakPolarHBondContact O-CG 3.38Å; E649-K653 PolarHBondContact O-N 3.36Å; E649-K653 VanDerWaalsContact OE1-CE 3.26Å; E649-K653 WeakPolarHBondContact OE1-CE 3.31Å; E649-K653 IonicContact OE1-NZ 2.64Å; E649-K653 PolarHBondContact OE1-NZ 2.67Å; A650-K653 PolarHBondContact O-N 3.08Å; K651-K653 VanDerWaalsContact C-N 3.32Å; K651-K653 PolarHBondContact O-N 2.95Å; K653-S656 PolarHBondContact O-N 3.04Å; K653-L657 VanDerWaalsContact O-CG 3.31Å; K653-L657 WeakPolarHBondContact O-CG 3.5Å; K653-L657 PolarHBondContact O-N 3.29Å |
| 654 | E | 81.5 | Confident | 82.1 | Confident | 99 Ų | 99 | 98.8 Ų | 98.8 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.1 | -39.5 | 177.2 | -158.4 | -153.6 | 129.7 | 0 | 0 | 111.9 | A650 K651 L657 R658 | A650-E654 WeakPolarHBondContact O-CB 3.44Å; A650-E654 PolarHBondContact O-N 3.42Å; K651-E654 PolarHBondContact O-N 3.17Å; K651-E654 VanDerWaalsContact O-N 3.15Å; E654-L657 PolarHBondContact O-N 3.34Å; E654-R658 WeakPolarHBondContact O-CB 3.46Å; E654-R658 PolarHBondContact O-N 3.48Å; E654-R658 IonicContact OE1-CZ 2.64Å; E654-R658 IonicContact OE1-NE 2.74Å; E654-R658 PolarHBondContact OE1-NE 3.39Å; E654-R658 IonicContact OE1-NH2 3.92Å; E654-R658 PolarHBondContact OE1-NH2 3.26Å; E654-R658 IonicContact OE2-NH2 3.17Å |
| 655 | E | 82.7 | Confident | 82.1 | Confident | 105 Ų | 105 | 94.9 Ų | 94.9 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 173 | -76.2 | 162.5 | -172.5 | 0 | 0 | 111.6 | K651 L657 R658 A659 | K651-E655 WeakPolarHBondContact O-CB 3.32Å; K651-E655 WeakPolarHBondContact O-CG 3.35Å; K651-E655 PolarHBondContact O-N 2.95Å; E655-L657 VanDerWaalsContact C-N 3.32Å; E655-L657 PolarHBondContact O-N 3.3Å; E655-R658 VanDerWaalsContact CG-NH1 3.32Å; E655-R658 PolarHBondContact O-N 2.96Å; E655-A659 WeakPolarHBondContact O-CB 3.48Å; E655-A659 PolarHBondContact O-N 2.94Å |
| 656 | S | 80.9 | Confident | 82.1 | Confident | 75 Ų | 75 | 91.9 Ų | 91.9 | 52% | 0.524 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 173 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | S652 K653 L660 | S652-S656 WeakPolarHBondContact O-CB 3.36Å; S652-S656 PolarHBondContact O-N 2.86Å; S652-S656 PolarHBondContact O-OG 3.44Å; K653-S656 PolarHBondContact O-N 3.04Å; S656-L660 WeakPolarHBondContact O-CB 3.44Å; S656-L660 PolarHBondContact O-N 2.85Å; S656-L660 VanDerWaalsContact O-N 3.11Å |
| 657 | L | 86.6 | Confident | 82.1 | Confident | 117 Ų | 117 | 91.6 Ų | 91.6 | 61% | 0.613 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -71.6 | -38.8 | 175.6 | -72.1 | 169.3 | 0 | 0 | 0 | 112.5 | K653 E654 E655 L660 H661 | K653-L657 VanDerWaalsContact O-CG 3.31Å; K653-L657 WeakPolarHBondContact O-CG 3.5Å; K653-L657 PolarHBondContact O-N 3.29Å; E654-L657 PolarHBondContact O-N 3.34Å; E655-L657 VanDerWaalsContact C-N 3.32Å; E655-L657 PolarHBondContact O-N 3.3Å; L657-L660 PolarHBondContact O-N 3.33Å; L657-H661 WeakPolarHBondContact O-CB 3.32Å; L657-H661 PolarHBondContact O-N 2.95Å |
| 658 | R | 89.7 | Confident | 82.1 | Confident | 103 Ų | 103 | 89.6 Ų | 89.6 | 39% | 0.389 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.5 | -48.3 | 173.8 | -82.5 | -170.9 | -104.5 | 109.2 | -4.6 | 111.1 | E654 E655 L660 H661 E662 | E654-R658 WeakPolarHBondContact O-CB 3.46Å; E654-R658 PolarHBondContact O-N 3.48Å; E654-R658 IonicContact OE1-CZ 2.64Å; E654-R658 IonicContact OE1-NE 2.74Å; E654-R658 PolarHBondContact OE1-NE 3.39Å; E654-R658 IonicContact OE1-NH2 3.92Å; E654-R658 PolarHBondContact OE1-NH2 3.26Å; E654-R658 IonicContact OE2-NH2 3.17Å; E655-R658 VanDerWaalsContact CG-NH1 3.32Å; E655-R658 PolarHBondContact O-N 2.96Å; R658-L660 VanDerWaalsContact C-N 3.31Å; R658-L660 PolarHBondContact O-N 2.95Å; R658-H661 PolarHBondContact O-N 3.33Å; R658-H661 VanDerWaalsContact O-N 3.11Å; R658-E662 WeakPolarHBondContact O-CB 3.47Å; R658-E662 WeakPolarHBondContact O-CG 3.41Å; R658-E662 PolarHBondContact O-N 3.5Å |
| 659 | A | 84.8 | Confident | 82.3 | Confident | 50 Ų | 50 | 92.1 Ų | 92.1 | 41% | 0.413 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.5 | -41.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E655 E662 V663 | E655-A659 WeakPolarHBondContact O-CB 3.48Å; E655-A659 PolarHBondContact O-N 2.94Å; A659-E662 PolarHBondContact O-N 2.91Å; A659-V663 WeakPolarHBondContact O-CG2 3.35Å; A659-V663 PolarHBondContact O-N 3.38Å |
| 660 | L | 84.5 | Confident | 82.4 | Confident | 101 Ų | 101 | 92.9 Ų | 92.9 | 53% | 0.529 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.9 | -38.6 | 176.1 | -168.9 | 150.1 | 0 | 0 | 0 | 112.1 | S656 L657 R658 V663 Q664 | S656-L660 WeakPolarHBondContact O-CB 3.44Å; S656-L660 PolarHBondContact O-N 2.85Å; S656-L660 VanDerWaalsContact O-N 3.11Å; L657-L660 PolarHBondContact O-N 3.33Å; R658-L660 VanDerWaalsContact C-N 3.31Å; R658-L660 PolarHBondContact O-N 2.95Å; L660-V663 PolarHBondContact O-N 3.25Å; L660-Q664 HydrophobicContact CD2-CG 4.37Å; L660-Q664 WeakPolarHBondContact O-CG 3.25Å; L660-Q664 PolarHBondContact O-N 2.72Å |
| 661 | H | 86.9 | Confident | 82.4 | Confident | 117 Ų | 117 | 95.9 Ų | 95.9 | 54% | 0.542 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -73.6 | -33.8 | 177.3 | -164.9 | 48 | 0 | 0 | 0 | 112.9 | L657 R658 Q664 T665 | L657-H661 WeakPolarHBondContact O-CB 3.32Å; L657-H661 PolarHBondContact O-N 2.95Å; R658-H661 PolarHBondContact O-N 3.33Å; R658-H661 VanDerWaalsContact O-N 3.11Å; H661-Q664 PolarHBondContact ND1-OE1 2.96Å; H661-Q664 PolarHBondContact O-N 2.99Å; H661-T665 WeakPolarHBondContact O-CB 3.32Å; H661-T665 PolarHBondContact O-N 3.15Å; H661-T665 PolarHBondContact O-OG1 3.3Å |
| 662 | E | 83.8 | Confident | 82.5 | Confident | 126 Ų | 126 | 96 Ų | 96 | 59% | 0.589 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64 | -41.8 | 170 | -75.2 | 171.4 | -160.5 | 0 | 0 | 111.2 | R658 A659 T665 C666 | R658-E662 WeakPolarHBondContact O-CB 3.47Å; R658-E662 WeakPolarHBondContact O-CG 3.41Å; R658-E662 PolarHBondContact O-N 3.5Å; A659-E662 PolarHBondContact O-N 2.91Å; E662-T665 PolarHBondContact O-N 2.83Å; E662-C666 WeakPolarHBondContact O-CB 3.29Å; E662-C666 PolarHBondContact O-N 2.97Å; E662-C666 PolarHBondContact O-SG 2.94Å |
| 663 | V | 82.9 | Confident | 82.7 | Confident | 88 Ų | 88 | 97.7 Ų | 97.7 | 53% | 0.533 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 172.7 | 168.1 | 0 | 0 | 0 | 0 | 111.3 | A659 L660 T665 C666 L667 | A659-V663 WeakPolarHBondContact O-CG2 3.35Å; A659-V663 PolarHBondContact O-N 3.38Å; L660-V663 PolarHBondContact O-N 3.25Å; V663-T665 VanDerWaalsContact C-N 3.33Å; V663-T665 PolarHBondContact O-N 3.44Å; V663-C666 PolarHBondContact O-N 2.64Å; V663-L667 HydrophobicContact CG1-CD1 4.06Å; V663-L667 VanDerWaalsContact O-CG 3.31Å; V663-L667 WeakPolarHBondContact O-CG 3.31Å; V663-L667 PolarHBondContact O-N 2.7Å |
| 664 | Q | 80.4 | Confident | 82.8 | Confident | 110 Ų | 110 | 96.1 Ų | 96.1 | 51% | 0.514 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.4 | -42.2 | 173.5 | -77.1 | -177.8 | -29.4 | 0 | 0 | 112.4 | L660 H661 L667 A668 | L660-Q664 HydrophobicContact CD2-CG 4.37Å; L660-Q664 WeakPolarHBondContact O-CG 3.25Å; L660-Q664 PolarHBondContact O-N 2.72Å; H661-Q664 PolarHBondContact ND1-OE1 2.96Å; H661-Q664 PolarHBondContact O-N 2.99Å; Q664-L667 PolarHBondContact O-N 3.17Å; Q664-A668 PolarHBondContact O-N 3.15Å |
| 665 | T | 83.4 | Confident | 82.9 | Confident | 60 Ų | 60 | 95.8 Ų | 95.8 | 37% | 0.368 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.9 | -42.8 | 179.7 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | H661 E662 V663 L667 A668 Q669 | H661-T665 WeakPolarHBondContact O-CB 3.32Å; H661-T665 PolarHBondContact O-N 3.15Å; H661-T665 PolarHBondContact O-OG1 3.3Å; E662-T665 PolarHBondContact O-N 2.83Å; V663-T665 VanDerWaalsContact C-N 3.33Å; V663-T665 PolarHBondContact O-N 3.44Å; T665-L667 PolarHBondContact O-N 2.81Å; T665-A668 PolarHBondContact O-N 3.14Å; T665-Q669 WeakPolarHBondContact O-CB 3.45Å; T665-Q669 VanDerWaalsContact O-CG 3.31Å; T665-Q669 WeakPolarHBondContact O-CG 3.45Å; T665-Q669 PolarHBondContact O-N 2.93Å |
| 666 | C | 81.4 | Confident | 82.9 | Confident | 73 Ų | 73 | 93.7 Ų | 93.7 | 49% | 0.493 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 173 | -73 | 0 | 0 | 0 | 0 | 112.2 | E662 V663 Q669 K670 | E662-C666 WeakPolarHBondContact O-CB 3.29Å; E662-C666 PolarHBondContact O-N 2.97Å; E662-C666 PolarHBondContact O-SG 2.94Å; V663-C666 PolarHBondContact O-N 2.64Å; C666-Q669 PolarHBondContact O-N 3.39Å; C666-K670 WeakPolarHBondContact O-CG 3.45Å; C666-K670 PolarHBondContact O-N 3.47Å |
| 667 | L | 78.9 | Confident | 82.7 | Confident | 106 Ų | 106 | 92.3 Ų | 92.3 | 56% | 0.555 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.5 | -46.9 | 176.7 | -72.9 | 168.8 | 0 | 0 | 0 | 111.6 | V663 Q664 T665 Q669 K670 E671 | V663-L667 HydrophobicContact CG1-CD1 4.06Å; V663-L667 VanDerWaalsContact O-CG 3.31Å; V663-L667 WeakPolarHBondContact O-CG 3.31Å; V663-L667 PolarHBondContact O-N 2.7Å; Q664-L667 PolarHBondContact O-N 3.17Å; T665-L667 PolarHBondContact O-N 2.81Å; L667-Q669 VanDerWaalsContact C-N 3.33Å; L667-Q669 PolarHBondContact O-N 2.93Å; L667-K670 PolarHBondContact O-N 3.25Å; L667-K670 VanDerWaalsContact O-N 3.09Å; L667-E671 PolarHBondContact O-N 3.42Å |
| 668 | A | 81.8 | Confident | 82.4 | Confident | 52 Ų | 52 | 92.7 Ų | 92.7 | 43% | 0.43 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q664 T665 K670 E671 E672 | Q664-A668 PolarHBondContact O-N 3.15Å; T665-A668 PolarHBondContact O-N 3.14Å; A668-K670 VanDerWaalsContact C-N 3.34Å; A668-K670 PolarHBondContact O-N 3.32Å; A668-E671 PolarHBondContact O-N 3.26Å; A668-E672 PolarHBondContact O-N 2.91Å |
| 669 | Q | 82.9 | Confident | 82 | Confident | 111 Ų | 111 | 90.8 Ų | 90.8 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 173.4 | -73.7 | 174.3 | 6.5 | 0 | 0 | 112.1 | T665 C666 L667 E672 E673 | T665-Q669 WeakPolarHBondContact O-CB 3.45Å; T665-Q669 VanDerWaalsContact O-CG 3.31Å; T665-Q669 WeakPolarHBondContact O-CG 3.45Å; T665-Q669 PolarHBondContact O-N 2.93Å; C666-Q669 PolarHBondContact O-N 3.39Å; L667-Q669 VanDerWaalsContact C-N 3.33Å; L667-Q669 PolarHBondContact O-N 2.93Å; Q669-E672 PolarHBondContact O-N 3.45Å; Q669-E673 WeakPolarHBondContact O-CG 3.47Å; Q669-E673 PolarHBondContact O-N 3.01Å |
| 670 | K | 78.7 | Confident | 81.8 | Confident | 116 Ų | 116 | 91.2 Ų | 91.2 | 50% | 0.504 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.9 | -32.5 | 176.4 | -68.1 | -65.5 | 167.7 | -140.9 | 0 | 113.2 | C666 L667 A668 E673 V674 | C666-K670 WeakPolarHBondContact O-CG 3.45Å; C666-K670 PolarHBondContact O-N 3.47Å; L667-K670 PolarHBondContact O-N 3.25Å; L667-K670 VanDerWaalsContact O-N 3.09Å; A668-K670 VanDerWaalsContact C-N 3.34Å; A668-K670 PolarHBondContact O-N 3.32Å; K670-E673 WeakPolarHBondContact CD-OE2 3.39Å; K670-E673 IonicContact NZ-OE1 2.73Å; K670-E673 PolarHBondContact NZ-OE1 2.89Å; K670-E673 IonicContact NZ-OE2 3.11Å; K670-E673 PolarHBondContact NZ-OE2 3.46Å; K670-V674 WeakPolarHBondContact O-CB 3.27Å; K670-V674 VanDerWaalsContact O-CG2 3.29Å; K670-V674 WeakPolarHBondContact O-CG2 3.5Å; K670-V674 PolarHBondContact O-N 3.16Å |
| 671 | E | 80.5 | Confident | 81.5 | Confident | 117 Ų | 117 | 91.8 Ų | 91.8 | 55% | 0.547 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 170.3 | -72.1 | -174.6 | -165.1 | 0 | 0 | 112.2 | L667 A668 V674 K675 | L667-E671 PolarHBondContact O-N 3.42Å; A668-E671 PolarHBondContact O-N 3.26Å; E671-V674 PolarHBondContact O-N 2.97Å; E671-K675 VanDerWaalsContact O-CG 3.27Å; E671-K675 WeakPolarHBondContact O-CG 3.47Å; E671-K675 PolarHBondContact O-N 3.04Å; E671-K675 IonicContact OE2-NZ 4Å |
| 672 | E | 84.1 | Confident | 81.1 | Confident | 110 Ų | 110 | 89 Ų | 89 | 51% | 0.514 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.8 | -36.7 | 176.4 | -65.8 | -51.5 | 133.1 | 0 | 0 | 112.8 | A668 Q669 V674 K675 A676 | A668-E672 PolarHBondContact O-N 2.91Å; Q669-E672 PolarHBondContact O-N 3.45Å; E672-V674 VanDerWaalsContact C-N 3.32Å; E672-V674 PolarHBondContact O-N 3.45Å; E672-K675 PolarHBondContact O-N 3.46Å; E672-K675 WeakPolarHBondContact OE1-CD 3.32Å; E672-K675 IonicContact OE1-NZ 3.93Å; E672-K675 PolarHBondContact OE1-NZ 3.29Å; E672-A676 VanDerWaalsContact O-CB 3.32Å; E672-A676 WeakPolarHBondContact O-CB 3.32Å; E672-A676 PolarHBondContact O-N 2.69Å |
| 673 | E | 82 | Confident | 81 | Confident | 101 Ų | 101 | 85.8 Ų | 85.8 | 47% | 0.472 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.3 | -43.1 | 170 | -79.8 | 176.7 | -147.5 | 0 | 0 | 111.8 | Q669 K670 A676 A677 | Q669-E673 WeakPolarHBondContact O-CG 3.47Å; Q669-E673 PolarHBondContact O-N 3.01Å; K670-E673 WeakPolarHBondContact CD-OE2 3.39Å; K670-E673 IonicContact NZ-OE1 2.73Å; K670-E673 PolarHBondContact NZ-OE1 2.89Å; K670-E673 IonicContact NZ-OE2 3.11Å; K670-E673 PolarHBondContact NZ-OE2 3.46Å; E673-A676 PolarHBondContact O-N 2.97Å; E673-A677 WeakPolarHBondContact O-CB 3.46Å; E673-A677 PolarHBondContact O-N 2.86Å |
| 674 | V | 80.7 | Confident | 81 | Confident | 81 Ų | 81 | 86.3 Ų | 86.3 | 49% | 0.491 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.8 | -41.6 | 177.4 | 168.3 | 0 | 0 | 0 | 0 | 111.4 | K670 E671 E672 A677 Q678 | K670-V674 WeakPolarHBondContact O-CB 3.27Å; K670-V674 VanDerWaalsContact O-CG2 3.29Å; K670-V674 WeakPolarHBondContact O-CG2 3.5Å; K670-V674 PolarHBondContact O-N 3.16Å; E671-V674 PolarHBondContact O-N 2.97Å; E672-V674 VanDerWaalsContact C-N 3.32Å; E672-V674 PolarHBondContact O-N 3.45Å; V674-A677 PolarHBondContact O-N 3.18Å; V674-Q678 VanDerWaalsContact O-CG 3.28Å; V674-Q678 WeakPolarHBondContact O-CG 3.22Å; V674-Q678 PolarHBondContact O-N 3.33Å |
| 675 | K | 83.2 | Confident | 80.8 | Confident | 92 Ų | 92 | 86.8 Ų | 86.8 | 40% | 0.4 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 174.3 | -68.7 | 162.4 | -158.6 | 167.8 | 0 | 111.5 | E671 E672 Q678 A679 | E671-K675 VanDerWaalsContact O-CG 3.27Å; E671-K675 WeakPolarHBondContact O-CG 3.47Å; E671-K675 PolarHBondContact O-N 3.04Å; E671-K675 IonicContact OE2-NZ 4Å; E672-K675 PolarHBondContact O-N 3.46Å; E672-K675 WeakPolarHBondContact OE1-CD 3.32Å; E672-K675 IonicContact OE1-NZ 3.93Å; E672-K675 PolarHBondContact OE1-NZ 3.29Å; K675-Q678 PolarHBondContact O-N 3.28Å; K675-A679 WeakPolarHBondContact O-CB 3.41Å; K675-A679 PolarHBondContact O-N 2.89Å |
| 676 | A | 81.9 | Confident | 80.6 | Confident | 62 Ų | 62 | 87.8 Ų | 87.8 | 51% | 0.512 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65 | -40.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E672 E673 A679 S680 | E672-A676 VanDerWaalsContact O-CB 3.32Å; E672-A676 WeakPolarHBondContact O-CB 3.32Å; E672-A676 PolarHBondContact O-N 2.69Å; E673-A676 PolarHBondContact O-N 2.97Å; A676-A679 PolarHBondContact O-N 3.31Å; A676-S680 WeakPolarHBondContact O-CB 3.5Å; A676-S680 PolarHBondContact O-N 3.43Å |
| 677 | A | 78.4 | Confident | 80.8 | Confident | 45 Ų | 45 | 90.1 Ų | 90.1 | 37% | 0.372 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E673 V674 S680 H681 | E673-A677 WeakPolarHBondContact O-CB 3.46Å; E673-A677 PolarHBondContact O-N 2.86Å; V674-A677 PolarHBondContact O-N 3.18Å; A677-S680 WeakPolarHBondContact O-CB 3.39Å; A677-S680 PolarHBondContact O-N 2.95Å; A677-H681 PolarHBondContact O-CD2 2.93Å; A677-H681 PolarHBondContact O-N 3.43Å |
| 678 | Q | 78.8 | Confident | 80.7 | Confident | 126 Ų | 126 | 90.8 Ų | 90.8 | 59% | 0.589 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.6 | -43.7 | 175 | -72.4 | 171.9 | 6.2 | 0 | 0 | 112 | V674 K675 S680 H681 A682 | V674-Q678 VanDerWaalsContact O-CG 3.28Å; V674-Q678 WeakPolarHBondContact O-CG 3.22Å; V674-Q678 PolarHBondContact O-N 3.33Å; K675-Q678 PolarHBondContact O-N 3.28Å; Q678-S680 PolarHBondContact O-N 2.88Å; Q678-H681 PolarHBondContact O-N 3.42Å; Q678-A682 PolarHBondContact O-N 2.96Å |
| 679 | A | 82.3 | Confident | 80.2 | Confident | 63 Ų | 63 | 94.8 Ų | 94.8 | 52% | 0.521 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K675 A676 A682 A683 | K675-A679 WeakPolarHBondContact O-CB 3.41Å; K675-A679 PolarHBondContact O-N 2.89Å; A676-A679 PolarHBondContact O-N 3.31Å; A679-A682 PolarHBondContact O-N 2.94Å; A679-A683 WeakPolarHBondContact O-CB 3.21Å; A679-A683 PolarHBondContact O-N 2.95Å |
| 680 | S | 80.5 | Confident | 80 | Confident | 58 Ų | 58 | 95 Ų | 95 | 41% | 0.406 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 174.4 | -174 | 0 | 0 | 0 | 0 | 111.9 | A676 A677 Q678 A683 Q684 | A676-S680 WeakPolarHBondContact O-CB 3.5Å; A676-S680 PolarHBondContact O-N 3.43Å; A677-S680 WeakPolarHBondContact O-CB 3.39Å; A677-S680 PolarHBondContact O-N 2.95Å; Q678-S680 PolarHBondContact O-N 2.88Å; S680-A683 PolarHBondContact O-N 2.65Å; S680-Q684 VanDerWaalsContact O-CG 3.29Å; S680-Q684 WeakPolarHBondContact O-CG 3.45Å; S680-Q684 PolarHBondContact O-N 3.25Å |
| 681 | H | 77.6 | Confident | 79.9 | Confident | 114 Ų | 114 | 94.4 Ų | 94.4 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.5 | -37.2 | 175.6 | -70.2 | -46.7 | 0 | 0 | 0 | 113 | A677 Q678 Q684 L685 | A677-H681 PolarHBondContact O-CD2 2.93Å; A677-H681 PolarHBondContact O-N 3.43Å; Q678-H681 PolarHBondContact O-N 3.42Å; H681-Q684 PolarHBondContact ND1-OE1 3.05Å; H681-Q684 PolarHBondContact O-N 3.12Å; H681-L685 WeakPolarHBondContact O-CG 3.39Å; H681-L685 PolarHBondContact O-N 2.65Å; H681-L685 VanDerWaalsContact O-N 3.13Å |
| 682 | A | 79.8 | Confident | 79.6 | Confident | 57 Ų | 57 | 94.8 Ų | 94.8 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q678 A679 Q684 L685 D686 | Q678-A682 PolarHBondContact O-N 2.96Å; A679-A682 PolarHBondContact O-N 2.94Å; A682-Q684 VanDerWaalsContact C-N 3.31Å; A682-Q684 PolarHBondContact O-N 3.5Å; A682-L685 PolarHBondContact O-N 2.64Å; A682-D686 WeakPolarHBondContact O-CB 3.29Å; A682-D686 PolarHBondContact O-N 2.91Å |
| 683 | A | 82 | Confident | 78.8 | Confident | 59 Ų | 59 | 96 Ų | 96 | 49% | 0.488 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63 | -33.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | A679 S680 D686 L687 | A679-A683 WeakPolarHBondContact O-CB 3.21Å; A679-A683 PolarHBondContact O-N 2.95Å; S680-A683 PolarHBondContact O-N 2.65Å; A683-D686 PolarHBondContact O-N 3.5Å; A683-L687 WeakPolarHBondContact O-CB 3.5Å; A683-L687 PolarHBondContact O-N 2.73Å |
| 684 | Q | 81.1 | Confident | 78.5 | Confident | 99 Ų | 99 | 93.2 Ų | 93.2 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 174.7 | -73.9 | 166.1 | 1 | 0 | 0 | 112.4 | S680 H681 A682 L687 L688 | S680-Q684 VanDerWaalsContact O-CG 3.29Å; S680-Q684 WeakPolarHBondContact O-CG 3.45Å; S680-Q684 PolarHBondContact O-N 3.25Å; H681-Q684 PolarHBondContact ND1-OE1 3.05Å; H681-Q684 PolarHBondContact O-N 3.12Å; A682-Q684 VanDerWaalsContact C-N 3.31Å; A682-Q684 PolarHBondContact O-N 3.5Å; Q684-L687 PolarHBondContact O-N 2.95Å; Q684-L688 WeakPolarHBondContact O-CG 3.45Å; Q684-L688 PolarHBondContact O-N 3.45Å |
| 685 | L | 77.1 | Confident | 78.2 | Confident | 120 Ų | 120 | 94.1 Ų | 94.1 | 63% | 0.628 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.3 | -44.2 | 173.7 | -68.3 | 169.6 | 0 | 0 | 0 | 111 | H681 A682 L687 L688 Q689 | H681-L685 WeakPolarHBondContact O-CG 3.39Å; H681-L685 PolarHBondContact O-N 2.65Å; H681-L685 VanDerWaalsContact O-N 3.13Å; A682-L685 PolarHBondContact O-N 2.64Å; L685-L687 VanDerWaalsContact C-N 3.3Å; L685-L687 PolarHBondContact O-N 2.93Å; L685-L688 PolarHBondContact O-N 3.33Å; L685-Q689 WeakPolarHBondContact O-CB 3.47Å; L685-Q689 PolarHBondContact O-N 3.41Å |
| 686 | D | 80.1 | Confident | 76.9 | Confident | 81 Ų | 81 | 95.9 Ų | 95.9 | 43% | 0.433 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.3 | -36 | 178.4 | -142.2 | 58.3 | 0 | 0 | 0 | 112.2 | A682 A683 K690 | A682-D686 WeakPolarHBondContact O-CB 3.29Å; A682-D686 PolarHBondContact O-N 2.91Å; A683-D686 PolarHBondContact O-N 3.5Å; D686-K690 VanDerWaalsContact O-CD 3.32Å; D686-K690 WeakPolarHBondContact O-CD 3.29Å; D686-K690 VanDerWaalsContact O-CG 3.31Å; D686-K690 WeakPolarHBondContact O-CG 3.33Å; D686-K690 PolarHBondContact O-N 3.3Å; D686-K690 WeakPolarHBondContact OD2-CE 3.43Å; D686-K690 IonicContact OD2-NZ 2.83Å; D686-K690 PolarHBondContact OD2-NZ 2.86Å |
| 687 | L | 85.1 | Confident | 76.2 | Confident | 122 Ų | 122 | 95.6 Ų | 95.6 | 64% | 0.639 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.9 | -46.6 | 175.4 | -155.6 | 84.5 | 0 | 0 | 0 | 111.8 | A683 Q684 L685 Q689 K690 E691 | A683-L687 WeakPolarHBondContact O-CB 3.5Å; A683-L687 PolarHBondContact O-N 2.73Å; Q684-L687 PolarHBondContact O-N 2.95Å; L685-L687 VanDerWaalsContact C-N 3.3Å; L685-L687 PolarHBondContact O-N 2.93Å; L687-Q689 VanDerWaalsContact C-N 3.27Å; L687-Q689 PolarHBondContact O-N 3.4Å; L687-K690 PolarHBondContact O-N 2.92Å; L687-K690 VanDerWaalsContact O-N 3.15Å; L687-E691 WeakPolarHBondContact O-CB 3.26Å; L687-E691 PolarHBondContact O-N 3.36Å |
| 688 | L | 77.1 | Confident | 76 | Confident | 121 Ų | 121 | 100 Ų | 100 | 63% | 0.634 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.7 | -35.5 | 177 | -73.1 | 168 | 0 | 0 | 0 | 112.1 | Q684 L685 L692 | Q684-L688 WeakPolarHBondContact O-CG 3.45Å; Q684-L688 PolarHBondContact O-N 3.45Å; L685-L688 PolarHBondContact O-N 3.33Å; L688-L692 WeakPolarHBondContact O-CB 3.47Å; L688-L692 PolarHBondContact O-N 3.11Å; L688-L692 VanDerWaalsContact O-N 3.13Å |
| 689 | Q | 71 | Confident | 75.1 | Confident | 135 Ų | 135 | 101.2 Ų | 101.2 | 63% | 0.631 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69 | -34.6 | 175.9 | -171.9 | 166.5 | -28.7 | 0 | 0 | 112.3 | L685 L687 Q693 | L685-Q689 WeakPolarHBondContact O-CB 3.47Å; L685-Q689 PolarHBondContact O-N 3.41Å; L687-Q689 VanDerWaalsContact C-N 3.27Å; L687-Q689 PolarHBondContact O-N 3.4Å; Q689-Q693 PolarHBondContact O-N 3.43Å |
| 690 | K | 78 | Confident | 73.6 | Confident | 117 Ų | 117 | 104.5 Ų | 104.5 | 51% | 0.509 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -73.7 | -40.9 | 174.4 | -72.5 | 160.8 | -175.9 | 159.4 | 0 | 112.6 | D686 L687 L692 Q693 A694 | D686-K690 VanDerWaalsContact O-CD 3.32Å; D686-K690 WeakPolarHBondContact O-CD 3.29Å; D686-K690 VanDerWaalsContact O-CG 3.31Å; D686-K690 WeakPolarHBondContact O-CG 3.33Å; D686-K690 PolarHBondContact O-N 3.3Å; D686-K690 WeakPolarHBondContact OD2-CE 3.43Å; D686-K690 IonicContact OD2-NZ 2.83Å; D686-K690 PolarHBondContact OD2-NZ 2.86Å; L687-K690 PolarHBondContact O-N 2.92Å; L687-K690 VanDerWaalsContact O-N 3.15Å; K690-L692 VanDerWaalsContact C-N 3.35Å; K690-L692 PolarHBondContact O-N 3.47Å; K690-Q693 WeakPolarHBondContact O-CA 3.27Å; K690-Q693 WeakPolarHBondContact O-CB 3.39Å; K690-Q693 PolarHBondContact O-N 3.09Å; K690-A694 PolarHBondContact O-N 3Å |
| 691 | E | 77.7 | Confident | 72.7 | Confident | 103 Ų | 103 | 105.5 Ų | 105.5 | 48% | 0.481 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -57.4 | -46.9 | 175.4 | -175.1 | 65 | -145 | 0 | 0 | 111.3 | L687 Q693 A694 Q695 | L687-E691 WeakPolarHBondContact O-CB 3.26Å; L687-E691 PolarHBondContact O-N 3.36Å; E691-Q693 PolarHBondContact O-N 2.99Å; E691-A694 PolarHBondContact O-N 2.94Å; E691-Q695 WeakPolarHBondContact O-CG 3.48Å; E691-Q695 PolarHBondContact O-N 3.36Å; E691-Q695 PolarHBondContact OE1-NE2 2.85Å |
| 692 | L | 73.1 | Confident | 71.7 | Confident | 124 Ų | 124 | 103.1 Ų | 103.1 | 65% | 0.649 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.2 | -30.3 | 175.4 | -171.5 | 68.3 | 0 | 0 | 0 | 112.7 | L688 K690 M696 | L688-L692 WeakPolarHBondContact O-CB 3.47Å; L688-L692 PolarHBondContact O-N 3.11Å; L688-L692 VanDerWaalsContact O-N 3.13Å; K690-L692 VanDerWaalsContact C-N 3.35Å; K690-L692 PolarHBondContact O-N 3.47Å; L692-M696 WeakPolarHBondContact O-CG 3.44Å |
| 693 | Q | 68.3 | Low | 70.1 | Confident | 137 Ų | 137 | 106.9 Ų | 106.9 | 64% | 0.64 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -82.8 | -36.1 | -179.8 | -160 | 167.3 | 8.7 | 0 | 0 | 112.1 | Q689 K690 E691 M696 S697 | Q689-Q693 PolarHBondContact O-N 3.43Å; K690-Q693 WeakPolarHBondContact O-CA 3.27Å; K690-Q693 WeakPolarHBondContact O-CB 3.39Å; K690-Q693 PolarHBondContact O-N 3.09Å; E691-Q693 PolarHBondContact O-N 2.99Å; Q693-M696 WeakPolarHBondContact O-CB 3.31Å; Q693-M696 PolarHBondContact O-N 3.41Å; Q693-S697 PolarHBondContact O-N 3.26Å; Q693-S697 PolarHBondContact O-OG 3.41Å |
| 694 | A | 75.2 | Confident | 68.3 | Low | 41 Ų | 41 | 111.8 Ų | 111.8 | 34% | 0.339 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.5 | -44.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K690 E691 M696 S697 E698 | K690-A694 PolarHBondContact O-N 3Å; E691-A694 PolarHBondContact O-N 2.94Å; A694-M696 PolarHBondContact O-N 3.1Å; A694-M696 VanDerWaalsContact O-N 3.14Å; A694-S697 PolarHBondContact O-N 2.93Å; A694-S697 PolarHBondContact O-OG 3.46Å; A694-E698 PolarHBondContact O-N 3.04Å |
| 695 | Q | 73.4 | Confident | 66.9 | Low | 100 Ų | 100 | 114.3 Ų | 114.3 | 47% | 0.467 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.5 | -12.9 | 178 | -66.3 | -176.4 | 21.2 | 0 | 0 | 114 | E691 | E691-Q695 WeakPolarHBondContact O-CG 3.48Å; E691-Q695 PolarHBondContact O-N 3.36Å; E691-Q695 PolarHBondContact OE1-NE2 2.85Å |
| 696 | M | 57.3 | Low | 65.3 | Low | 130 Ų | 130 | 116 Ų | 116 | 64% | 0.64 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -80.2 | -47.8 | 168.3 | -68.7 | -69.4 | -67.5 | 0 | 0 | 110.9 | L692 Q693 A694 K699 | L692-M696 WeakPolarHBondContact O-CG 3.44Å; Q693-M696 WeakPolarHBondContact O-CB 3.31Å; Q693-M696 PolarHBondContact O-N 3.41Å; A694-M696 PolarHBondContact O-N 3.1Å; A694-M696 VanDerWaalsContact O-N 3.14Å; M696-K699 PolarHBondContact O-N 3.32Å |
| 697 | S | 67.5 | Low | 63.3 | Low | 55 Ų | 55 | 120.4 Ų | 120.4 | 39% | 0.385 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.4 | -38.8 | 179.6 | 40.3 | 0 | 0 | 0 | 0 | 114.2 | Q693 A694 K699 E700 D701 | Q693-S697 PolarHBondContact O-N 3.26Å; Q693-S697 PolarHBondContact O-OG 3.41Å; A694-S697 PolarHBondContact O-N 2.93Å; A694-S697 PolarHBondContact O-OG 3.46Å; S697-K699 PolarHBondContact O-N 3.39Å; S697-K699 VanDerWaalsContact O-N 3.17Å; S697-E700 PolarHBondContact O-N 2.99Å; S697-D701 PolarHBondContact O-N 3.08Å |
| 698 | E | 72.8 | Confident | 61.6 | Low | 137 Ų | 137 | 123.2 Ų | 123.2 | 64% | 0.64 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.5 | -26.8 | -179.5 | -70.6 | -175 | 159.4 | 0 | 0 | 112.9 | A694 E700 A702 | A694-E698 PolarHBondContact O-N 3.04Å; E698-E700 VanDerWaalsContact C-N 3.34Å; E698-A702 WeakPolarHBondContact O-CB 3.15Å; E698-A702 PolarHBondContact O-N 2.94Å |
| 699 | K | 59.4 | Low | 59.8 | Low | 153 Ų | 153 | 126.5 Ų | 126.5 | 67% | 0.665 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -74.3 | -21.6 | 174.1 | -73.3 | 178 | 179.6 | 167.9 | 0 | 113.7 | M696 S697 | M696-K699 PolarHBondContact O-N 3.32Å; S697-K699 PolarHBondContact O-N 3.39Å; S697-K699 VanDerWaalsContact O-N 3.17Å |
| 700 | E | 52.3 | Low | 57.7 | Low | 131 Ų | 131 | 131.1 Ų | 131.1 | 61% | 0.612 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -83.9 | -41.6 | 178.3 | -61.5 | -170.8 | 145.9 | 0 | 0 | 111.4 | S697 E698 L703 | S697-E700 PolarHBondContact O-N 2.99Å; E698-E700 VanDerWaalsContact C-N 3.34Å; E700-L703 PolarHBondContact O-N 2.84Å |
| 701 | D | 62.1 | Low | 55.6 | Low | 79 Ų | 79 | 137.1 Ų | 137.1 | 42% | 0.422 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -77 | -28 | -179.8 | -79.3 | -40.6 | 0 | 0 | 0 | 113.9 | S697 L703 R704 | S697-D701 PolarHBondContact O-N 3.08Å; D701-L703 PolarHBondContact O-N 3.48Å; D701-L703 VanDerWaalsContact O-N 3.11Å; D701-R704 PolarHBondContact O-N 3.19Å; D701-R704 WeakPolarHBondContact OD1-CD 3.27Å; D701-R704 IonicContact OD1-CZ 3.11Å; D701-R704 IonicContact OD1-NE 3.27Å; D701-R704 IonicContact OD1-NH1 2.67Å; D701-R704 PolarHBondContact OD1-NH1 3.43Å |
| 702 | A | 55.8 | Low | 54.2 | Low | 64 Ų | 64 | 135.6 Ų | 135.6 | 53% | 0.529 | 67% | 0.666 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.7 | -21.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | E698 | E698-A702 WeakPolarHBondContact O-CB 3.15Å; E698-A702 PolarHBondContact O-N 2.94Å |
| 703 | L | 45.8 | Very low | 52.9 | Low | 136 Ų | 136 | 140.3 Ų | 140.3 | 71% | 0.712 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -20.3 | 175 | -70.7 | 165.6 | 0 | 0 | 0 | 113.5 | E700 D701 | E700-L703 PolarHBondContact O-N 2.84Å; D701-L703 PolarHBondContact O-N 3.48Å; D701-L703 VanDerWaalsContact O-N 3.11Å |
| 704 | R | 45.3 | Very low | 51.7 | Low | 163 Ų | 163 | 138.2 Ų | 138.2 | 62% | 0.615 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -36.2 | -176.7 | -65.9 | 176.6 | 172.1 | 144.3 | -0.9 | 113.3 | D701 L706 | D701-R704 PolarHBondContact O-N 3.19Å; D701-R704 WeakPolarHBondContact OD1-CD 3.27Å; D701-R704 IonicContact OD1-CZ 3.11Å; D701-R704 IonicContact OD1-NE 3.27Å; D701-R704 IonicContact OD1-NH1 2.67Å; D701-R704 PolarHBondContact OD1-NH1 3.43Å; R704-L706 PolarHBondContact O-N 2.85Å; R704-L706 VanDerWaalsContact O-N 3.09Å |
| 705 | L | 50.1 | Low | 50.3 | Low | 152 Ų | 152 | 145.2 Ų | 145.2 | 80% | 0.796 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 0.2 | -169.8 | -85.1 | 163.1 | 0 | 0 | 0 | 115.8 | ||
| 706 | L | 43.6 | Very low | 48.7 | Very low | 156 Ų | 156 | 152.1 Ų | 152.1 | 82% | 0.817 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -9.4 | 178.5 | -84.2 | 166.8 | 0 | 0 | 0 | 114.6 | R704 | R704-L706 PolarHBondContact O-N 2.85Å; R704-L706 VanDerWaalsContact O-N 3.09Å |
| 707 | E | 39.5 | Very low | 47.8 | Very low | 173 Ų | 173 | 154.6 Ų | 154.6 | 81% | 0.808 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -96.6 | -19.8 | -163.7 | -58.8 | -163.9 | 118.4 | 0 | 0 | 116.6 | ||
| 708 | E | 49.6 | Very low | 46.1 | Very low | 181 Ų | 181 | 160.7 Ų | 160.7 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | trans | -118.2 | -0 | -152.2 | -63.7 | -159 | 123.4 | 0 | 0 | 121.5 | ||||
| 709 | Q | 38.3 | Very low | 44.3 | Very low | 189 Ų | 189 | 160.1 Ų | 160.1 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | -93.3 | 118.6 | -171 | -66.6 | -164.9 | 2.1 | 0 | 0 | 117.5 | ||||
| 710 | R | 27.7 | Very low | 43.3 | Very low | 232 Ų | 232 | 160.6 Ų | 160.6 | 88% | 0.875 | 78% | 0.775 | S | S | * | * | trans | -171.2 | 117.7 | 161.6 | -105.5 | 160.2 | -165.1 | -130.8 | 3.4 | 118.7 | ||||
| 711 | R | 33.3 | Very low | 42.8 | Very low | 244 Ų | 244 | 164 Ų | 164 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | 78.5 | 145.5 | 141.7 | -63.8 | 178.7 | 157.5 | -146.9 | -5.5 | 127.1 | ||||
| 712 | G | 48.7 | Very low | 42.1 | Very low | 71 Ų | 71 | 168.4 Ų | 168.4 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | 141.4 | 138 | 137.5 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 713 | F | 45 | Very low | 41.8 | Very low | 223 Ų | 223 | 168.3 Ų | 168.3 | 98% | 0.978 | 80% | 0.799 | S | S | * | * | trans | -172.4 | 162 | 175.2 | -119.9 | -82 | 0 | 0 | 0 | 118.2 | ||||
| 714 | S | 44.2 | Very low | 42.4 | Very low | 93 Ų | 93 | 169.3 Ų | 169.3 | 65% | 0.65 | 80% | 0.799 | S | S | * | * | trans | 125.9 | 147.9 | 144 | -149 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 715 | E | 44.5 | Very low | 42.6 | Very low | 187 Ų | 187 | 169.5 Ų | 169.5 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | 89.6 | 152.1 | 137.6 | -107.8 | 160.1 | -85.3 | 0 | 0 | 131.3 | ||||
| 716 | R | 41 | Very low | 42.7 | Very low | 246 Ų | 246 | 166.7 Ų | 166.7 | 93% | 0.928 | 80% | 0.798 | S | S | * | * | trans | -176.3 | 140.5 | 178.3 | -156.4 | -171.4 | -148.2 | -177 | 8.9 | 116.7 | ||||
| 717 | E | 36.8 | Very low | 43 | Very low | 182 Ų | 182 | 161.5 Ų | 161.5 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | trans | -172.1 | 173.7 | 159.9 | -133.4 | -162.2 | -146.9 | 0 | 0 | 119.2 | ||||
| 718 | K | 31.8 | Very low | 43.6 | Very low | 182 Ų | 182 | 162 Ų | 162 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | 104.7 | 124.3 | 160.1 | -64.4 | 177.3 | -178.2 | 170.1 | 0 | 122.4 | ||||
| 719 | S | 36.4 | Very low | 43.9 | Very low | 125 Ų | 125 | 159.8 Ų | 159.8 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | 159.4 | 123.4 | 120.6 | -72.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 720 | Q | 37.1 | Very low | 44.8 | Very low | 164 Ų | 164 | 154.8 Ų | 154.8 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | trans | -148.3 | 74.1 | -164.5 | -174.1 | -179.2 | 4.1 | 0 | 0 | 113.5 | L723 | Q720-L723 HydrophobicContact CG-CD1 3.52Š| ||
| 721 | K | 41.4 | Very low | 46.4 | Very low | 201 Ų | 201 | 149.7 Ų | 149.7 | 87% | 0.874 | 72% | 0.72 | S | S | * | * | trans | -141.7 | 1.9 | 179.2 | -81.1 | -155.1 | 171.9 | -163.3 | 0 | 118.8 | L723 | K721-L723 PolarHBondContact O-N 2.92Š| ||
| 722 | M | 47.3 | Very low | 48 | Very low | 172 Ų | 172 | 143.8 Ų | 143.8 | 85% | 0.847 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -73.5 | 27.9 | 172.2 | -67.8 | -76.9 | -72.6 | 0 | 0 | 113 | L726 | M722-L726 WeakPolarHBondContact O-CD1 3.42Å; M722-L726 VanDerWaalsContact O-CG 3.27Å; M722-L726 WeakPolarHBondContact O-CG 3.48Å |
| 723 | L | 51 | Low | 48.8 | Very low | 63 Ų | 63 | 144.9 Ų | 144.9 | 33% | 0.33 | 69% | 0.691 | S | S | . | * | trans | -107.6 | -13 | -146.3 | -120.1 | 162.6 | 0 | 0 | 0 | 115.5 | Q720 K721 | Q720-L723 HydrophobicContact CG-CD1 3.52Å; K721-L723 PolarHBondContact O-N 2.92Å | ||
| 724 | E | 56.7 | Low | 49.6 | Very low | 156 Ų | 156 | 135.9 Ų | 135.9 | 73% | 0.729 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -108.8 | -39.9 | -165.6 | -71.3 | 169.6 | 161.9 | 0 | 0 | 112.9 | L726 S727 | E724-L726 VanDerWaalsContact C-N 3.28Å; E724-S727 WeakPolarHBondContact O-CA 3.47Å; E724-S727 WeakPolarHBondContact O-CB 3.44Å; E724-S727 PolarHBondContact O-N 3.08Å; E724-S727 PolarHBondContact O-OG 3.4Å |
| 725 | D | 51.4 | Low | 51.1 | Low | 167 Ų | 167 | 138.2 Ų | 138.2 | 89% | 0.893 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -75.7 | -20.6 | 166.3 | -65.8 | -43.2 | 0 | 0 | 0 | 112.4 | S727 | D725-S727 PolarHBondContact O-N 2.94Š|
| 726 | L | 51.3 | Low | 52.5 | Low | 93 Ų | 93 | 135 Ų | 135 | 49% | 0.487 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -57.2 | -41.3 | 158.6 | -83.8 | -177.2 | 0 | 0 | 0 | 110.1 | M722 E724 W728 Q729 K730 | M722-L726 WeakPolarHBondContact O-CD1 3.42Å; M722-L726 VanDerWaalsContact O-CG 3.27Å; M722-L726 WeakPolarHBondContact O-CG 3.48Å; E724-L726 VanDerWaalsContact C-N 3.28Å; L726-W728 VanDerWaalsContact C-N 3.3Å; L726-W728 PolarHBondContact O-N 2.86Å; L726-Q729 PolarHBondContact O-N 2.87Å; L726-K730 HydrophobicContact CB-CB 4.11Å; L726-K730 WeakPolarHBondContact O-CA 3.47Å; L726-K730 WeakPolarHBondContact O-CB 3.26Å; L726-K730 PolarHBondContact O-N 3.47Å |
| 727 | S | 50.7 | Low | 54 | Low | 47 Ų | 47 | 126.2 Ų | 126.2 | 33% | 0.329 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -45.8 | -43.8 | -156.3 | 69.1 | 0 | 0 | 0 | 0 | 115.9 | E724 D725 K730 E731 | E724-S727 WeakPolarHBondContact O-CA 3.47Å; E724-S727 WeakPolarHBondContact O-CB 3.44Å; E724-S727 PolarHBondContact O-N 3.08Å; E724-S727 PolarHBondContact O-OG 3.4Å; D725-S727 PolarHBondContact O-N 2.94Å; S727-K730 CarbonylContact O-C 3.19Å; S727-E731 WeakPolarHBondContact O-CG 3.29Å; S727-E731 PolarHBondContact O-N 2.97Å |
| 728 | W | 50.8 | Low | 55.8 | Low | 185 Ų | 185 | 122 Ų | 122 | 70% | 0.701 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -80.7 | -46.5 | -174.1 | -162.3 | 81.5 | 0 | 0 | 0 | 113.2 | L726 K730 E731 E732 | L726-W728 VanDerWaalsContact C-N 3.3Å; L726-W728 PolarHBondContact O-N 2.86Å; W728-K730 PolarHBondContact O-N 3.34Å; W728-E731 PolarHBondContact O-N 3.2Å; W728-E732 PolarHBondContact O-N 2.97Å |
| 729 | Q | 57.2 | Low | 58 | Low | 133 Ų | 133 | 120.1 Ų | 120.1 | 62% | 0.621 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.4 | -37.1 | 168.6 | -73.6 | -172.3 | -15 | 0 | 0 | 110.5 | L726 E731 I733 | L726-Q729 PolarHBondContact O-N 2.87Å; Q729-E731 PolarHBondContact O-N 3.21Å; Q729-I733 HydrophobicContact CB-CD1 4.39Å; Q729-I733 WeakPolarHBondContact O-CA 3.29Å; Q729-I733 WeakPolarHBondContact O-CB 3.49Å; Q729-I733 WeakPolarHBondContact O-CG1 3.44Å; Q729-I733 PolarHBondContact O-N 2.91Å |
| 730 | K | 56.3 | Low | 59.7 | Low | 85 Ų | 85 | 120.6 Ų | 120.6 | 37% | 0.37 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -70.2 | -0.2 | 169.9 | 175.3 | -116.3 | 179.3 | 178.2 | 0 | 112.7 | L726 S727 W728 S734 | L726-K730 HydrophobicContact CB-CB 4.11Å; L726-K730 WeakPolarHBondContact O-CA 3.47Å; L726-K730 WeakPolarHBondContact O-CB 3.26Å; L726-K730 PolarHBondContact O-N 3.47Å; S727-K730 CarbonylContact O-C 3.19Å; W728-K730 PolarHBondContact O-N 3.34Å; K730-S734 WeakPolarHBondContact O-CA 3.28Å; K730-S734 WeakPolarHBondContact O-CB 3.31Å; K730-S734 PolarHBondContact O-N 3.36Å; K730-S734 PolarHBondContact O-OG 3.05Å |
| 731 | E | 61.5 | Low | 61.5 | Low | 125 Ų | 125 | 118.3 Ų | 118.3 | 58% | 0.584 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -93.7 | -47.2 | 169.8 | -96.1 | 176.3 | 164.3 | 0 | 0 | 110.6 | S727 W728 Q729 S734 Q735 | S727-E731 WeakPolarHBondContact O-CG 3.29Å; S727-E731 PolarHBondContact O-N 2.97Å; W728-E731 PolarHBondContact O-N 3.2Å; Q729-E731 PolarHBondContact O-N 3.21Å; E731-S734 CarbonylContact O-C 3.5Å; E731-S734 PolarHBondContact O-N 3.05Å; E731-S734 VanDerWaalsContact O-N 3.13Å; E731-Q735 PolarHBondContact O-N 2.85Å |
| 732 | E | 66.6 | Low | 63.4 | Low | 120 Ų | 120 | 112.9 Ų | 112.9 | 56% | 0.561 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.3 | -45 | 171.3 | -170.4 | 168 | -157.1 | 0 | 0 | 111.5 | W728 S734 Q735 Q736 | W728-E732 PolarHBondContact O-N 2.97Å; E732-S734 VanDerWaalsContact C-N 3.27Å; E732-S734 PolarHBondContact O-N 3.31Å; E732-Q735 PolarHBondContact O-N 2.97Å; E732-Q735 VanDerWaalsContact O-N 3.14Å; E732-Q736 PolarHBondContact O-N 3.44Å; E732-Q736 VanDerWaalsContact O-N 3.1Å |
| 733 | I | 65.9 | Low | 65 | Low | 93 Ų | 93 | 107.2 Ų | 107.2 | 48% | 0.477 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.9 | -30 | 167.9 | -61.8 | 168.6 | 0 | 0 | 0 | 110.3 | Q729 L737 | Q729-I733 HydrophobicContact CB-CD1 4.39Å; Q729-I733 WeakPolarHBondContact O-CA 3.29Å; Q729-I733 WeakPolarHBondContact O-CB 3.49Å; Q729-I733 WeakPolarHBondContact O-CG1 3.44Å; Q729-I733 PolarHBondContact O-N 2.91Å; I733-L737 HydrophobicContact CG2-CB 4.44Å; I733-L737 WeakPolarHBondContact O-CA 3.5Å; I733-L737 WeakPolarHBondContact O-CB 3.41Å; I733-L737 PolarHBondContact O-N 3.22Å |
| 734 | S | 62.6 | Low | 66.3 | Low | 34 Ų | 34 | 111.8 Ų | 111.8 | 24% | 0.238 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -69.4 | -34 | 171.3 | -79.5 | 0 | 0 | 0 | 0 | 112.3 | K730 E731 E732 L737 Q738 | K730-S734 WeakPolarHBondContact O-CA 3.28Å; K730-S734 WeakPolarHBondContact O-CB 3.31Å; K730-S734 PolarHBondContact O-N 3.36Å; K730-S734 PolarHBondContact O-OG 3.05Å; E731-S734 CarbonylContact O-C 3.5Å; E731-S734 PolarHBondContact O-N 3.05Å; E731-S734 VanDerWaalsContact O-N 3.13Å; E732-S734 VanDerWaalsContact C-N 3.27Å; E732-S734 PolarHBondContact O-N 3.31Å; S734-L737 CarbonylContact O-C 3.58Å; S734-Q738 WeakPolarHBondContact O-CA 3.46Å; S734-Q738 WeakPolarHBondContact O-CB 3.47Å; S734-Q738 PolarHBondContact O-N 3.03Å |
| 735 | Q | 75.5 | Confident | 67.6 | Low | 143 Ų | 143 | 109.4 Ų | 109.4 | 67% | 0.668 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.9 | -49.5 | 175.8 | -74.7 | -174.8 | -15.8 | 0 | 0 | 110.5 | E731 E732 L737 Q738 E739 | E731-Q735 PolarHBondContact O-N 2.85Å; E732-Q735 PolarHBondContact O-N 2.97Å; E732-Q735 VanDerWaalsContact O-N 3.14Å; Q735-L737 PolarHBondContact O-N 3.06Å; Q735-Q738 PolarHBondContact O-N 2.89Å; Q735-Q738 VanDerWaalsContact O-N 3.14Å; Q735-E739 WeakPolarHBondContact O-CG 3.39Å; Q735-E739 PolarHBondContact O-N 2.68Å |
| 736 | Q | 73.1 | Confident | 69 | Low | 119 Ų | 119 | 107.7 Ų | 107.7 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.7 | -42.4 | 175.6 | -65 | 177.9 | 4.9 | 0 | 0 | 112.2 | E732 Q738 E739 E740 | E732-Q736 PolarHBondContact O-N 3.44Å; E732-Q736 VanDerWaalsContact O-N 3.1Å; Q736-Q738 VanDerWaalsContact C-N 3.34Å; Q736-Q738 PolarHBondContact O-N 3.35Å; Q736-E739 PolarHBondContact O-N 3.06Å; Q736-E740 WeakPolarHBondContact O-CB 3.37Å; Q736-E740 WeakPolarHBondContact O-CG 3.46Å; Q736-E740 PolarHBondContact O-N 2.95Å |
| 737 | L | 72.5 | Confident | 70.6 | Confident | 61 Ų | 61 | 109.1 Ų | 109.1 | 32% | 0.319 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -73.7 | -21.7 | 176.8 | -173.1 | 62.4 | 0 | 0 | 0 | 112.7 | I733 S734 Q735 R741 | I733-L737 HydrophobicContact CG2-CB 4.44Å; I733-L737 WeakPolarHBondContact O-CA 3.5Å; I733-L737 WeakPolarHBondContact O-CB 3.41Å; I733-L737 PolarHBondContact O-N 3.22Å; S734-L737 CarbonylContact O-C 3.58Å; Q735-L737 PolarHBondContact O-N 3.06Å; L737-R741 HydrophobicContact CG-CG 4.49Å; L737-R741 WeakPolarHBondContact O-CA 3.35Å; L737-R741 WeakPolarHBondContact O-CB 3.5Å; L737-R741 VanDerWaalsContact O-CD 3.22Å; L737-R741 WeakPolarHBondContact O-CD 3.44Å; L737-R741 WeakPolarHBondContact O-CG 3.3Å; L737-R741 PolarHBondContact O-N 3.26Å |
| 738 | Q | 74.5 | Confident | 72 | Confident | 93 Ų | 93 | 111.9 Ų | 111.9 | 44% | 0.435 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -77.8 | -42.9 | 173.2 | -170.6 | 80.2 | -4.9 | 0 | 0 | 109.3 | S734 Q735 Q736 R741 E742 | S734-Q738 WeakPolarHBondContact O-CA 3.46Å; S734-Q738 WeakPolarHBondContact O-CB 3.47Å; S734-Q738 PolarHBondContact O-N 3.03Å; Q735-Q738 PolarHBondContact O-N 2.89Å; Q735-Q738 VanDerWaalsContact O-N 3.14Å; Q736-Q738 VanDerWaalsContact C-N 3.34Å; Q736-Q738 PolarHBondContact O-N 3.35Å; Q738-R741 PolarHBondContact O-N 3.44Å; Q738-E742 WeakPolarHBondContact O-CB 3.31Å; Q738-E742 WeakPolarHBondContact O-CG 3.35Å; Q738-E742 PolarHBondContact O-N 3.01Å |
| 739 | E | 77.6 | Confident | 73.7 | Confident | 143 Ų | 143 | 106.4 Ų | 106.4 | 67% | 0.668 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.8 | -44.7 | 171.3 | -70 | -179.2 | 172 | 0 | 0 | 111.1 | Q735 Q736 E742 A743 | Q735-E739 WeakPolarHBondContact O-CG 3.39Å; Q735-E739 PolarHBondContact O-N 2.68Å; Q736-E739 PolarHBondContact O-N 3.06Å; E739-E742 PolarHBondContact O-N 2.66Å; E739-A743 VanDerWaalsContact O-CB 3.25Å; E739-A743 WeakPolarHBondContact O-CB 3.47Å; E739-A743 PolarHBondContact O-N 3.36Å |
| 740 | E | 73.5 | Confident | 74.9 | Confident | 135 Ų | 135 | 102.2 Ų | 102.2 | 63% | 0.631 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.6 | -40 | 170.9 | -78.8 | -160.2 | 154.4 | 0 | 0 | 112.5 | Q736 K744 | Q736-E740 WeakPolarHBondContact O-CB 3.37Å; Q736-E740 WeakPolarHBondContact O-CG 3.46Å; Q736-E740 PolarHBondContact O-N 2.95Å; E740-K744 WeakPolarHBondContact O-CA 3.42Å; E740-K744 WeakPolarHBondContact O-CB 3.25Å; E740-K744 PolarHBondContact O-N 3.32Å |
| 741 | R | 74.8 | Confident | 76.4 | Confident | 116 Ų | 116 | 101.7 Ų | 101.7 | 44% | 0.438 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 175.5 | -83.8 | 163.3 | -175.8 | 159.7 | 3.1 | 111.1 | L737 Q738 K744 L745 | L737-R741 HydrophobicContact CG-CG 4.49Å; L737-R741 WeakPolarHBondContact O-CA 3.35Å; L737-R741 WeakPolarHBondContact O-CB 3.5Å; L737-R741 VanDerWaalsContact O-CD 3.22Å; L737-R741 WeakPolarHBondContact O-CD 3.44Å; L737-R741 WeakPolarHBondContact O-CG 3.3Å; L737-R741 PolarHBondContact O-N 3.26Å; Q738-R741 PolarHBondContact O-N 3.44Å; R741-K744 CarbonylContact O-C 3.39Å; R741-K744 PolarHBondContact O-N 2.9Å; R741-L745 WeakPolarHBondContact O-CB 3.45Å; R741-L745 WeakPolarHBondContact O-CD1 3.32Å; R741-L745 WeakPolarHBondContact O-CG 3.3Å; R741-L745 PolarHBondContact O-N 3.4Å |
| 742 | E | 80.3 | Confident | 77.4 | Confident | 87 Ų | 87 | 100.8 Ų | 100.8 | 41% | 0.407 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.3 | -42.2 | 177.5 | -80.6 | -168.7 | -149.3 | 0 | 0 | 111.7 | Q738 E739 L745 K746 | Q738-E742 WeakPolarHBondContact O-CB 3.31Å; Q738-E742 WeakPolarHBondContact O-CG 3.35Å; Q738-E742 PolarHBondContact O-N 3.01Å; E739-E742 PolarHBondContact O-N 2.66Å; E742-L745 PolarHBondContact O-N 3.45Å; E742-K746 WeakPolarHBondContact O-CB 3.31Å; E742-K746 VanDerWaalsContact O-CD 3.25Å; E742-K746 WeakPolarHBondContact O-CD 3.42Å; E742-K746 WeakPolarHBondContact O-CG 3.49Å; E742-K746 PolarHBondContact O-N 3.22Å; E742-K746 IonicContact OE2-NZ 3.27Å; E742-K746 PolarHBondContact OE2-NZ 3.31Å |
| 743 | A | 81.5 | Confident | 78.3 | Confident | 54 Ų | 54 | 101 Ų | 101 | 45% | 0.446 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | E739 L745 K746 L747 | E739-A743 VanDerWaalsContact O-CB 3.25Å; E739-A743 WeakPolarHBondContact O-CB 3.47Å; E739-A743 PolarHBondContact O-N 3.36Å; A743-L745 PolarHBondContact O-N 2.86Å; A743-K746 PolarHBondContact O-N 2.89Å; A743-L747 WeakPolarHBondContact O-CB 3.49Å; A743-L747 PolarHBondContact O-N 2.94Å |
| 744 | K | 78.6 | Confident | 79.1 | Confident | 158 Ų | 158 | 103.1 Ų | 103.1 | 69% | 0.687 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.9 | -31.6 | 177.7 | -173.9 | 172.5 | -175.7 | 171.2 | 0 | 113.1 | E740 R741 H748 | E740-K744 WeakPolarHBondContact O-CA 3.42Å; E740-K744 WeakPolarHBondContact O-CB 3.25Å; E740-K744 PolarHBondContact O-N 3.32Å; R741-K744 CarbonylContact O-C 3.39Å; R741-K744 PolarHBondContact O-N 2.9Å; K744-H748 WeakPolarHBondContact O-CB 3.46Å; K744-H748 PolarHBondContact O-N 3.48Å |
| 745 | L | 82.8 | Confident | 80.1 | Confident | 106 Ų | 106 | 107 Ų | 107 | 56% | 0.555 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -70.5 | -44.3 | 171.6 | -79.9 | 165.6 | 0 | 0 | 0 | 110.5 | R741 E742 A743 L747 H748 V749 | R741-L745 WeakPolarHBondContact O-CB 3.45Å; R741-L745 WeakPolarHBondContact O-CD1 3.32Å; R741-L745 WeakPolarHBondContact O-CG 3.3Å; R741-L745 PolarHBondContact O-N 3.4Å; E742-L745 PolarHBondContact O-N 3.45Å; A743-L745 PolarHBondContact O-N 2.86Å; L745-L747 VanDerWaalsContact C-N 3.31Å; L745-L747 PolarHBondContact O-N 3.39Å; L745-H748 PolarHBondContact O-N 2.89Å; L745-V749 WeakPolarHBondContact O-CB 3.48Å; L745-V749 VanDerWaalsContact O-CG2 3.32Å; L745-V749 WeakPolarHBondContact O-CG2 3.25Å; L745-V749 PolarHBondContact O-N 3.21Å |
| 746 | K | 81.9 | Confident | 80.6 | Confident | 131 Ų | 131 | 104.7 Ų | 104.7 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.3 | -43 | 173 | -69.1 | 156.7 | -165.4 | 161.1 | 0 | 110.6 | E742 A743 A750 | E742-K746 WeakPolarHBondContact O-CB 3.31Å; E742-K746 VanDerWaalsContact O-CD 3.25Å; E742-K746 WeakPolarHBondContact O-CD 3.42Å; E742-K746 WeakPolarHBondContact O-CG 3.49Å; E742-K746 PolarHBondContact O-N 3.22Å; E742-K746 IonicContact OE2-NZ 3.27Å; E742-K746 PolarHBondContact OE2-NZ 3.31Å; A743-K746 PolarHBondContact O-N 2.89Å; K746-A750 WeakPolarHBondContact O-CB 3.34Å; K746-A750 PolarHBondContact O-N 2.96Å |
| 747 | L | 83.6 | Confident | 81.2 | Confident | 124 Ų | 124 | 101.7 Ų | 101.7 | 65% | 0.649 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.1 | -35.8 | 174.7 | -127.4 | 166.4 | 0 | 0 | 0 | 112.8 | A743 L745 L751 | A743-L747 WeakPolarHBondContact O-CB 3.49Å; A743-L747 PolarHBondContact O-N 2.94Å; L745-L747 VanDerWaalsContact C-N 3.31Å; L745-L747 PolarHBondContact O-N 3.39Å; L747-L751 WeakPolarHBondContact O-CB 3.46Å; L747-L751 PolarHBondContact O-N 3.29Å |
| 748 | H | 82.1 | Confident | 81.8 | Confident | 105 Ų | 105 | 105.5 Ų | 105.5 | 49% | 0.486 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72.2 | -39.5 | 177.5 | -170.9 | 53.1 | 0 | 0 | 0 | 112.1 | K744 L745 L751 Q752 | K744-H748 WeakPolarHBondContact O-CB 3.46Å; K744-H748 PolarHBondContact O-N 3.48Å; L745-H748 PolarHBondContact O-N 2.89Å; H748-L751 PolarHBondContact O-N 3.41Å; H748-Q752 VanDerWaalsContact O-CB 3.26Å; H748-Q752 WeakPolarHBondContact O-CB 3.31Å; H748-Q752 PolarHBondContact O-N 2.86Å |
| 749 | V | 85.1 | Confident | 82.4 | Confident | 70 Ų | 70 | 106.1 Ų | 106.1 | 42% | 0.424 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.1 | -51 | 171.8 | 169.9 | 0 | 0 | 0 | 0 | 110 | L745 L751 Q752 E753 | L745-V749 WeakPolarHBondContact O-CB 3.48Å; L745-V749 VanDerWaalsContact O-CG2 3.32Å; L745-V749 WeakPolarHBondContact O-CG2 3.25Å; L745-V749 PolarHBondContact O-N 3.21Å; V749-L751 VanDerWaalsContact C-N 3.32Å; V749-L751 PolarHBondContact O-N 2.9Å; V749-Q752 CarbonylContact O-C 3.59Å; V749-Q752 WeakPolarHBondContact O-CA 3.49Å; V749-Q752 WeakPolarHBondContact O-CB 3.38Å; V749-Q752 PolarHBondContact O-N 3.44Å; V749-E753 HydrophobicContact CG1-CG 4.32Å; V749-E753 WeakPolarHBondContact O-CG 3.35Å; V749-E753 PolarHBondContact O-N 3.18Å |
| 750 | A | 83.6 | Confident | 82.9 | Confident | 44 Ų | 44 | 103.1 Ų | 103.1 | 36% | 0.364 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.4 | -41.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K746 Q752 E753 E754 | K746-A750 WeakPolarHBondContact O-CB 3.34Å; K746-A750 PolarHBondContact O-N 2.96Å; A750-Q752 VanDerWaalsContact C-N 3.29Å; A750-Q752 PolarHBondContact O-N 2.9Å; A750-E753 PolarHBondContact O-N 3.4Å; A750-E754 PolarHBondContact O-N 3.46Å |
| 751 | L | 86.3 | Confident | 83.4 | Confident | 75 Ų | 75 | 102.4 Ų | 102.4 | 39% | 0.393 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68 | -26.2 | 174.7 | -178.9 | 63.3 | 0 | 0 | 0 | 113 | L747 H748 V749 K755 | L747-L751 WeakPolarHBondContact O-CB 3.46Å; L747-L751 PolarHBondContact O-N 3.29Å; H748-L751 PolarHBondContact O-N 3.41Å; V749-L751 VanDerWaalsContact C-N 3.32Å; V749-L751 PolarHBondContact O-N 2.9Å; L751-K755 WeakPolarHBondContact O-CB 3.42Å; L751-K755 WeakPolarHBondContact O-CD 3.34Å; L751-K755 WeakPolarHBondContact O-CG 3.24Å; L751-K755 PolarHBondContact O-N 3.38Å |
| 752 | Q | 83.6 | Confident | 83.9 | Confident | 106 Ų | 106 | 103.9 Ų | 103.9 | 50% | 0.495 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -81.1 | -35.2 | 174.9 | -173.8 | 169 | -9.7 | 0 | 0 | 111.2 | H748 V749 A750 K755 L756 | H748-Q752 VanDerWaalsContact O-CB 3.26Å; H748-Q752 WeakPolarHBondContact O-CB 3.31Å; H748-Q752 PolarHBondContact O-N 2.86Å; V749-Q752 CarbonylContact O-C 3.59Å; V749-Q752 WeakPolarHBondContact O-CA 3.49Å; V749-Q752 WeakPolarHBondContact O-CB 3.38Å; V749-Q752 PolarHBondContact O-N 3.44Å; A750-Q752 VanDerWaalsContact C-N 3.29Å; A750-Q752 PolarHBondContact O-N 2.9Å; Q752-K755 PolarHBondContact O-N 3.33Å; Q752-L756 HydrophobicContact CG-CD1 4.45Å; Q752-L756 VanDerWaalsContact O-CG 3.29Å; Q752-L756 WeakPolarHBondContact O-CG 3.45Å; Q752-L756 PolarHBondContact O-N 3.15Å |
| 753 | E | 85.4 | Confident | 84.3 | Confident | 123 Ų | 123 | 103.8 Ų | 103.8 | 58% | 0.575 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.4 | -44.9 | 171.1 | -70.9 | 171.7 | 163.4 | 0 | 0 | 111.2 | V749 A750 K755 L756 A757 | V749-E753 HydrophobicContact CG1-CG 4.32Å; V749-E753 WeakPolarHBondContact O-CG 3.35Å; V749-E753 PolarHBondContact O-N 3.18Å; A750-E753 PolarHBondContact O-N 3.4Å; E753-K755 VanDerWaalsContact C-N 3.34Å; E753-K755 PolarHBondContact O-N 3.47Å; E753-L756 PolarHBondContact O-N 3.49Å; E753-A757 WeakPolarHBondContact O-CB 3.39Å; E753-A757 PolarHBondContact O-N 2.57Å |
| 754 | E | 82.3 | Confident | 84.7 | Confident | 139 Ų | 139 | 104.9 Ų | 104.9 | 65% | 0.65 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.8 | -41.1 | 171.5 | -85.6 | -161.5 | 145.2 | 0 | 0 | 112.4 | A750 A757 F758 | A750-E754 PolarHBondContact O-N 3.46Å; E754-A757 PolarHBondContact O-N 2.82Å; E754-F758 WeakPolarHBondContact O-CB 3.41Å; E754-F758 PolarHBondContact O-N 3.1Å |
| 755 | K | 82.9 | Confident | 85 | Confident | 115 Ų | 115 | 102.7 Ų | 102.7 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 176.6 | -78.9 | 169.2 | -176.3 | 178.6 | 0 | 112.2 | L751 Q752 E753 A757 F758 E759 | L751-K755 WeakPolarHBondContact O-CB 3.42Å; L751-K755 WeakPolarHBondContact O-CD 3.34Å; L751-K755 WeakPolarHBondContact O-CG 3.24Å; L751-K755 PolarHBondContact O-N 3.38Å; Q752-K755 PolarHBondContact O-N 3.33Å; E753-K755 VanDerWaalsContact C-N 3.34Å; E753-K755 PolarHBondContact O-N 3.47Å; K755-A757 VanDerWaalsContact C-N 3.33Å; K755-F758 PolarHBondContact O-N 3.19Å; K755-E759 WeakPolarHBondContact O-CB 3.39Å; K755-E759 WeakPolarHBondContact O-CG 3.38Å; K755-E759 PolarHBondContact O-N 3.03Å |
| 756 | L | 87.6 | Confident | 85.3 | Confident | 95 Ų | 95 | 102.6 Ų | 102.6 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.4 | -37.9 | 176.3 | -70.9 | 168.4 | 0 | 0 | 0 | 111.4 | Q752 E753 E759 V760 | Q752-L756 HydrophobicContact CG-CD1 4.45Å; Q752-L756 VanDerWaalsContact O-CG 3.29Å; Q752-L756 WeakPolarHBondContact O-CG 3.45Å; Q752-L756 PolarHBondContact O-N 3.15Å; E753-L756 PolarHBondContact O-N 3.49Å; L756-E759 PolarHBondContact O-N 2.9Å; L756-V760 WeakPolarHBondContact O-CG2 3.28Å; L756-V760 PolarHBondContact O-N 3.43Å |
| 757 | A | 85.3 | Confident | 85.6 | Confident | 55 Ų | 55 | 101.9 Ų | 101.9 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -45.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E753 E754 K755 V760 E761 | E753-A757 WeakPolarHBondContact O-CB 3.39Å; E753-A757 PolarHBondContact O-N 2.57Å; E754-A757 PolarHBondContact O-N 2.82Å; K755-A757 VanDerWaalsContact C-N 3.33Å; A757-V760 PolarHBondContact O-N 3.4Å; A757-E761 PolarHBondContact O-N 3.02Å |
| 758 | F | 85.6 | Confident | 85.9 | Confident | 141 Ų | 141 | 100.7 Ų | 100.7 | 62% | 0.618 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.2 | -35.9 | 177.1 | -173 | -97.7 | 0 | 0 | 0 | 112.8 | E754 K755 E761 R762 | E754-F758 WeakPolarHBondContact O-CB 3.41Å; E754-F758 PolarHBondContact O-N 3.1Å; K755-F758 PolarHBondContact O-N 3.19Å; F758-E761 PolarHBondContact O-N 3.07Å; F758-R762 VanDerWaalsContact O-CB 3.25Å; F758-R762 WeakPolarHBondContact O-CB 3.43Å; F758-R762 PolarHBondContact O-N 3.42Å |
| 759 | E | 85.6 | Confident | 86.3 | Confident | 106 Ų | 106 | 104.1 Ų | 104.1 | 50% | 0.495 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 171.7 | -76.7 | 173.2 | -171.1 | 0 | 0 | 111.5 | K755 L756 R762 N763 | K755-E759 WeakPolarHBondContact O-CB 3.39Å; K755-E759 WeakPolarHBondContact O-CG 3.38Å; K755-E759 PolarHBondContact O-N 3.03Å; L756-E759 PolarHBondContact O-N 2.9Å; E759-R762 PolarHBondContact O-N 3.12Å; E759-N763 WeakPolarHBondContact O-CB 3.33Å; E759-N763 PolarHBondContact O-N 3.41Å; E759-N763 PolarHBondContact O-ND2 3.27Å; E759-N763 VanDerWaalsContact O-ND2 3.08Å |
| 760 | V | 88.3 | Confident | 86.4 | Confident | 80 Ų | 80 | 103 Ų | 103 | 49% | 0.485 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.5 | -46.9 | 172.3 | 169 | 0 | 0 | 0 | 0 | 111.6 | L756 A757 R762 N763 N764 | L756-V760 WeakPolarHBondContact O-CG2 3.28Å; L756-V760 PolarHBondContact O-N 3.43Å; A757-V760 PolarHBondContact O-N 3.4Å; V760-R762 VanDerWaalsContact C-N 3.3Å; V760-R762 PolarHBondContact O-N 3.34Å; V760-N763 PolarHBondContact O-N 3.23Å; V760-N764 WeakPolarHBondContact O-CB 3.13Å; V760-N764 PolarHBondContact O-N 2.94Å; V760-N764 PolarHBondContact O-ND2 3.27Å; V760-N764 PolarHBondContact O-OD1 3.01Å |
| 761 | E | 83.6 | Confident | 86.8 | Confident | 120 Ų | 120 | 105.6 Ų | 105.6 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.6 | -36.4 | 176.5 | -73.7 | -163.4 | 156.5 | 0 | 0 | 112.8 | A757 F758 H765 | A757-E761 PolarHBondContact O-N 3.02Å; F758-E761 PolarHBondContact O-N 3.07Å; E761-H765 PolarHBondContact O-N 2.83Å; E761-H765 PolarHBondContact O-ND1 2.95Å |
| 762 | R | 86.4 | Confident | 86.9 | Confident | 147 Ų | 147 | 105.8 Ų | 105.8 | 56% | 0.555 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.7 | -49.8 | 171.8 | 177.5 | -174.7 | 164.4 | 165.5 | -2 | 111 | F758 E759 V760 N764 H765 E766 | F758-R762 VanDerWaalsContact O-CB 3.25Å; F758-R762 WeakPolarHBondContact O-CB 3.43Å; F758-R762 PolarHBondContact O-N 3.42Å; E759-R762 PolarHBondContact O-N 3.12Å; V760-R762 VanDerWaalsContact C-N 3.3Å; V760-R762 PolarHBondContact O-N 3.34Å; R762-N764 VanDerWaalsContact C-N 3.27Å; R762-N764 PolarHBondContact O-N 2.96Å; R762-H765 CarbonylContact O-C 3.56Å; R762-H765 WeakPolarHBondContact O-CB 3.47Å; R762-H765 PolarHBondContact O-N 3.39Å; R762-H765 VanDerWaalsContact O-N 3.1Å; R762-E766 IonicContact CZ-OE2 3.42Å; R762-E766 IonicContact NE-OE2 3.66Å; R762-E766 PolarHBondContact NE-OE2 3.47Å; R762-E766 IonicContact NH2-OE2 3.35Å; R762-E766 PolarHBondContact NH2-OE2 2.93Å; R762-E766 WeakPolarHBondContact O-CB 3.14Å; R762-E766 PolarHBondContact O-N 2.91Å |
| 763 | N | 88.6 | Confident | 87.2 | Confident | 85 Ų | 85 | 106.1 Ų | 106.1 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.1 | -39.5 | 179.8 | -71.2 | -26.7 | 0 | 0 | 0 | 111.2 | E759 V760 E766 Q767 | E759-N763 WeakPolarHBondContact O-CB 3.33Å; E759-N763 PolarHBondContact O-N 3.41Å; E759-N763 PolarHBondContact O-ND2 3.27Å; E759-N763 VanDerWaalsContact O-ND2 3.08Å; V760-N763 PolarHBondContact O-N 3.23Å; N763-E766 PolarHBondContact O-N 2.97Å; N763-Q767 WeakPolarHBondContact O-CB 3.47Å; N763-Q767 WeakPolarHBondContact O-CG 3.46Å; N763-Q767 PolarHBondContact O-N 2.96Å |
| 764 | N | 88.6 | Confident | 87.5 | Confident | 77 Ų | 77 | 106 Ų | 106 | 41% | 0.412 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.5 | -43 | 173.5 | -64.9 | -15.7 | 0 | 0 | 0 | 111.8 | V760 R762 E766 Q767 L768 | V760-N764 WeakPolarHBondContact O-CB 3.13Å; V760-N764 PolarHBondContact O-N 2.94Å; V760-N764 PolarHBondContact O-ND2 3.27Å; V760-N764 PolarHBondContact O-OD1 3.01Å; R762-N764 VanDerWaalsContact C-N 3.27Å; R762-N764 PolarHBondContact O-N 2.96Å; N764-E766 VanDerWaalsContact C-N 3.34Å; N764-E766 PolarHBondContact O-N 3.4Å; N764-Q767 PolarHBondContact O-N 3.2Å; N764-L768 WeakPolarHBondContact O-CB 3.23Å; N764-L768 VanDerWaalsContact O-CG 3.31Å; N764-L768 WeakPolarHBondContact O-CG 3.42Å; N764-L768 PolarHBondContact O-N 3.42Å |
| 765 | H | 86.3 | Confident | 87.8 | Confident | 112 Ų | 112 | 104.5 Ų | 104.5 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.9 | -36.4 | 173.2 | -85.8 | 88.7 | 0 | 0 | 0 | 113.1 | E761 R762 R769 | E761-H765 PolarHBondContact O-N 2.83Å; E761-H765 PolarHBondContact O-ND1 2.95Å; R762-H765 CarbonylContact O-C 3.56Å; R762-H765 WeakPolarHBondContact O-CB 3.47Å; R762-H765 PolarHBondContact O-N 3.39Å; R762-H765 VanDerWaalsContact O-N 3.1Å; H765-R769 WeakPolarHBondContact O-CB 3.39Å; H765-R769 VanDerWaalsContact O-CG 3.23Å; H765-R769 WeakPolarHBondContact O-CG 3.29Å; H765-R769 PolarHBondContact O-N 2.64Å |
| 766 | E | 88.6 | Confident | 88.1 | Confident | 105 Ų | 105 | 103.8 Ų | 103.8 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72 | -37.5 | 179.8 | -153.4 | 156.9 | 159.3 | 0 | 0 | 110.5 | R762 N763 N764 S770 | R762-E766 IonicContact CZ-OE2 3.42Å; R762-E766 IonicContact NE-OE2 3.66Å; R762-E766 PolarHBondContact NE-OE2 3.47Å; R762-E766 IonicContact NH2-OE2 3.35Å; R762-E766 PolarHBondContact NH2-OE2 2.93Å; R762-E766 WeakPolarHBondContact O-CB 3.14Å; R762-E766 PolarHBondContact O-N 2.91Å; N763-E766 PolarHBondContact O-N 2.97Å; N764-E766 VanDerWaalsContact C-N 3.34Å; N764-E766 PolarHBondContact O-N 3.4Å; E766-S770 PolarHBondContact O-N 2.72Å; E766-S770 VanDerWaalsContact O-N 3.08Å |
| 767 | Q | 88.5 | Confident | 88.2 | Confident | 116 Ų | 116 | 101.6 Ų | 101.6 | 54% | 0.542 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.2 | -52.5 | 168.5 | -74.6 | 176.6 | -3.5 | 0 | 0 | 112.3 | N763 N764 R769 S770 E771 | N763-Q767 WeakPolarHBondContact O-CB 3.47Å; N763-Q767 WeakPolarHBondContact O-CG 3.46Å; N763-Q767 PolarHBondContact O-N 2.96Å; N764-Q767 PolarHBondContact O-N 3.2Å; Q767-R769 VanDerWaalsContact C-N 3.28Å; Q767-R769 PolarHBondContact O-N 2.94Å; Q767-S770 CarbonylContact O-C 3.56Å; Q767-S770 WeakPolarHBondContact O-CA 3.31Å; Q767-S770 WeakPolarHBondContact O-CB 3.42Å; Q767-S770 PolarHBondContact O-N 2.84Å; Q767-S770 PolarHBondContact O-OG 3.15Å; Q767-E771 PolarHBondContact O-N 2.97Å |
| 768 | L | 89.1 | Confident | 88.4 | Confident | 98 Ų | 98 | 103.1 Ų | 103.1 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.1 | -38.3 | 178.1 | -74.7 | 168.5 | 0 | 0 | 0 | 112.3 | N764 E771 V772 | N764-L768 WeakPolarHBondContact O-CB 3.23Å; N764-L768 VanDerWaalsContact O-CG 3.31Å; N764-L768 WeakPolarHBondContact O-CG 3.42Å; N764-L768 PolarHBondContact O-N 3.42Å; L768-E771 PolarHBondContact O-N 2.76Å; L768-V772 WeakPolarHBondContact O-CG2 3.38Å; L768-V772 PolarHBondContact O-N 3.07Å |
| 769 | R | 90.8 | Very high | 88.6 | Confident | 177 Ų | 177 | 102 Ų | 102 | 67% | 0.668 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63 | -40.3 | 171.9 | -75.5 | 171.1 | -177.3 | -146.3 | 1.3 | 112.1 | H765 Q767 E771 V772 L773 | H765-R769 WeakPolarHBondContact O-CB 3.39Å; H765-R769 VanDerWaalsContact O-CG 3.23Å; H765-R769 WeakPolarHBondContact O-CG 3.29Å; H765-R769 PolarHBondContact O-N 2.64Å; Q767-R769 VanDerWaalsContact C-N 3.28Å; Q767-R769 PolarHBondContact O-N 2.94Å; R769-E771 VanDerWaalsContact C-N 3.29Å; R769-E771 PolarHBondContact O-N 3.4Å; R769-V772 PolarHBondContact O-N 2.97Å; R769-L773 WeakPolarHBondContact O-CB 3.32Å; R769-L773 VanDerWaalsContact O-CG 3.31Å; R769-L773 WeakPolarHBondContact O-CG 3.37Å; R769-L773 PolarHBondContact O-N 2.98Å |
| 770 | S | 87.3 | Confident | 88.9 | Confident | 46 Ų | 46 | 103.9 Ų | 103.9 | 32% | 0.322 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66 | -31 | 175.6 | 88.2 | 0 | 0 | 0 | 0 | 112.9 | E766 Q767 K774 | E766-S770 PolarHBondContact O-N 2.72Å; E766-S770 VanDerWaalsContact O-N 3.08Å; Q767-S770 CarbonylContact O-C 3.56Å; Q767-S770 WeakPolarHBondContact O-CA 3.31Å; Q767-S770 WeakPolarHBondContact O-CB 3.42Å; Q767-S770 PolarHBondContact O-N 2.84Å; Q767-S770 PolarHBondContact O-OG 3.15Å; S770-K774 WeakPolarHBondContact O-CD 3.35Å; S770-K774 VanDerWaalsContact O-CG 3.25Å; S770-K774 WeakPolarHBondContact O-CG 3.44Å; S770-K774 PolarHBondContact O-N 3.33Å |
| 771 | E | 91 | Very high | 89.1 | Confident | 99 Ų | 99 | 103.6 Ų | 103.6 | 46% | 0.463 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -75.1 | -43.8 | 176.1 | -69.4 | 177.1 | 169.2 | 0 | 0 | 111.4 | Q767 L768 R769 L773 K774 L775 | Q767-E771 PolarHBondContact O-N 2.97Å; L768-E771 PolarHBondContact O-N 2.76Å; R769-E771 VanDerWaalsContact C-N 3.29Å; R769-E771 PolarHBondContact O-N 3.4Å; E771-L773 VanDerWaalsContact C-N 3.32Å; E771-L773 PolarHBondContact O-N 3.22Å; E771-K774 PolarHBondContact O-N 2.9Å; E771-L775 WeakPolarHBondContact O-CG 3.25Å; E771-L775 PolarHBondContact O-N 3.41Å |
| 772 | V | 88.8 | Confident | 89.4 | Confident | 79 Ų | 79 | 102.7 Ų | 102.7 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 173.1 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | L768 R769 K774 L775 Q776 | L768-V772 WeakPolarHBondContact O-CG2 3.38Å; L768-V772 PolarHBondContact O-N 3.07Å; R769-V772 PolarHBondContact O-N 2.97Å; V772-K774 PolarHBondContact O-N 2.85Å; V772-L775 PolarHBondContact O-N 2.78Å; V772-Q776 WeakPolarHBondContact O-CB 3.35Å; V772-Q776 VanDerWaalsContact O-CG 3.31Å; V772-Q776 WeakPolarHBondContact O-CG 3.5Å; V772-Q776 PolarHBondContact O-N 2.98Å |
| 773 | L | 90.6 | Very high | 89.5 | Confident | 113 Ų | 113 | 98.2 Ų | 98.2 | 59% | 0.592 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.5 | -36.2 | 177.2 | -74.4 | 167.9 | 0 | 0 | 0 | 113 | R769 E771 A777 | R769-L773 WeakPolarHBondContact O-CB 3.32Å; R769-L773 VanDerWaalsContact O-CG 3.31Å; R769-L773 WeakPolarHBondContact O-CG 3.37Å; R769-L773 PolarHBondContact O-N 2.98Å; E771-L773 VanDerWaalsContact C-N 3.32Å; E771-L773 PolarHBondContact O-N 3.22Å; L773-A777 PolarHBondContact O-N 2.93Å; L773-A777 VanDerWaalsContact O-N 3.12Å |
| 774 | K | 90.9 | Very high | 89.7 | Confident | 121 Ų | 121 | 99.4 Ų | 99.4 | 53% | 0.526 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.3 | -50.2 | 172.8 | -71.3 | 160.4 | -170.3 | 159.6 | 0 | 110.8 | S770 E771 V772 Q776 A777 D778 | S770-K774 WeakPolarHBondContact O-CD 3.35Å; S770-K774 VanDerWaalsContact O-CG 3.25Å; S770-K774 WeakPolarHBondContact O-CG 3.44Å; S770-K774 PolarHBondContact O-N 3.33Å; E771-K774 PolarHBondContact O-N 2.9Å; V772-K774 PolarHBondContact O-N 2.85Å; K774-Q776 PolarHBondContact O-N 3.5Å; K774-A777 WeakPolarHBondContact O-CA 3.35Å; K774-A777 WeakPolarHBondContact O-CB 3.37Å; K774-A777 PolarHBondContact O-N 2.98Å; K774-D778 VanDerWaalsContact O-CG 3.25Å; K774-D778 PolarHBondContact O-N 3.04Å |
| 775 | L | 89.8 | Confident | 89.8 | Confident | 108 Ų | 108 | 101 Ų | 101 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.7 | -29 | 178.5 | -68.3 | 171.6 | 0 | 0 | 0 | 112.8 | E771 V772 L779 | E771-L775 WeakPolarHBondContact O-CG 3.25Å; E771-L775 PolarHBondContact O-N 3.41Å; V772-L775 PolarHBondContact O-N 2.78Å; L775-L779 WeakPolarHBondContact O-CB 3.4Å; L775-L779 WeakPolarHBondContact O-CD1 3.04Å; L775-L779 VanDerWaalsContact O-CG 3.22Å; L775-L779 WeakPolarHBondContact O-CG 3.36Å; L775-L779 PolarHBondContact O-N 2.83Å |
| 776 | Q | 88.8 | Confident | 90 | Very high | 99 Ų | 99 | 102.7 Ų | 102.7 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.8 | -45.7 | 170.6 | -77.3 | 175 | -34.9 | 0 | 0 | 111.9 | V772 K774 L779 E780 | V772-Q776 WeakPolarHBondContact O-CB 3.35Å; V772-Q776 VanDerWaalsContact O-CG 3.31Å; V772-Q776 WeakPolarHBondContact O-CG 3.5Å; V772-Q776 PolarHBondContact O-N 2.98Å; K774-Q776 PolarHBondContact O-N 3.5Å; Q776-L779 PolarHBondContact O-N 3.4Å; Q776-E780 WeakPolarHBondContact O-CG 3.37Å; Q776-E780 PolarHBondContact O-N 2.84Å |
| 777 | A | 89.2 | Confident | 90.2 | Very high | 49 Ų | 49 | 103.8 Ų | 103.8 | 41% | 0.405 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63 | -41 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L773 K774 L779 E780 T781 | L773-A777 PolarHBondContact O-N 2.93Å; L773-A777 VanDerWaalsContact O-N 3.12Å; K774-A777 WeakPolarHBondContact O-CA 3.35Å; K774-A777 WeakPolarHBondContact O-CB 3.37Å; K774-A777 PolarHBondContact O-N 2.98Å; A777-L779 VanDerWaalsContact C-N 3.3Å; A777-L779 PolarHBondContact O-N 3.42Å; A777-E780 PolarHBondContact O-N 3.06Å; A777-T781 PolarHBondContact O-N 3.04Å; A777-T781 PolarHBondContact O-OG1 2.83Å |
| 778 | D | 91 | Very high | 90.3 | Very high | 87 Ų | 87 | 101.6 Ų | 101.6 | 47% | 0.465 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -32.1 | 176.3 | -63.2 | -31.6 | 0 | 0 | 0 | 112.1 | K774 T781 L782 | K774-D778 VanDerWaalsContact O-CG 3.25Å; K774-D778 PolarHBondContact O-N 3.04Å; D778-T781 WeakPolarHBondContact CA-OG1 3.32Å; D778-T781 PolarHBondContact O-OG1 2.95Å; D778-L782 WeakPolarHBondContact O-CB 3.31Å; D778-L782 WeakPolarHBondContact O-CD1 3.3Å; D778-L782 WeakPolarHBondContact O-CG 3.44Å; D778-L782 PolarHBondContact O-N 3.25Å |
| 779 | L | 89.6 | Confident | 90.5 | Very high | 117 Ų | 117 | 101.7 Ų | 101.7 | 61% | 0.613 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -72.7 | -39.5 | 171.7 | -77.4 | 168.1 | 0 | 0 | 0 | 112 | L775 Q776 A777 D783 | L775-L779 WeakPolarHBondContact O-CB 3.4Å; L775-L779 WeakPolarHBondContact O-CD1 3.04Å; L775-L779 VanDerWaalsContact O-CG 3.22Å; L775-L779 WeakPolarHBondContact O-CG 3.36Å; L775-L779 PolarHBondContact O-N 2.83Å; Q776-L779 PolarHBondContact O-N 3.4Å; A777-L779 VanDerWaalsContact C-N 3.3Å; A777-L779 PolarHBondContact O-N 3.42Å; L779-D783 WeakPolarHBondContact O-CB 3.37Å; L779-D783 PolarHBondContact O-N 2.94Å |
| 780 | E | 92.1 | Very high | 90.4 | Very high | 146 Ų | 146 | 97.6 Ų | 97.6 | 68% | 0.682 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.4 | -37.4 | 177.9 | -74.9 | -179.8 | -177.8 | 0 | 0 | 112.7 | Q776 A777 Q784 | Q776-E780 WeakPolarHBondContact O-CG 3.37Å; Q776-E780 PolarHBondContact O-N 2.84Å; A777-E780 PolarHBondContact O-N 3.06Å; E780-Q784 WeakPolarHBondContact O-CB 3.46Å; E780-Q784 PolarHBondContact O-N 3.01Å; E780-Q784 VanDerWaalsContact O-N 3.12Å |
| 781 | T | 92.1 | Very high | 90.5 | Very high | 74 Ų | 74 | 98.8 Ų | 98.8 | 45% | 0.454 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.7 | -48.9 | 173.6 | 52.6 | 0 | 0 | 0 | 0 | 111.6 | A777 D778 D783 Q784 E785 | A777-T781 PolarHBondContact O-N 3.04Å; A777-T781 PolarHBondContact O-OG1 2.83Å; D778-T781 WeakPolarHBondContact CA-OG1 3.32Å; D778-T781 PolarHBondContact O-OG1 2.95Å; T781-D783 VanDerWaalsContact C-N 3.29Å; T781-D783 PolarHBondContact O-N 3.35Å; T781-Q784 WeakPolarHBondContact O-CB 3.45Å; T781-Q784 PolarHBondContact O-N 3.42Å; T781-E785 WeakPolarHBondContact O-CG 3.43Å; T781-E785 PolarHBondContact O-N 2.9Å |
| 782 | L | 88.9 | Confident | 90.5 | Very high | 101 Ų | 101 | 98.4 Ų | 98.4 | 53% | 0.529 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.8 | -38.4 | 176.4 | -75.6 | 171 | 0 | 0 | 0 | 112.6 | D778 Q784 E785 R786 | D778-L782 WeakPolarHBondContact O-CB 3.31Å; D778-L782 WeakPolarHBondContact O-CD1 3.3Å; D778-L782 WeakPolarHBondContact O-CG 3.44Å; D778-L782 PolarHBondContact O-N 3.25Å; L782-Q784 VanDerWaalsContact C-N 3.31Å; L782-Q784 PolarHBondContact O-N 3.5Å; L782-E785 PolarHBondContact O-N 3.38Å; L782-R786 VanDerWaalsContact O-CB 3.25Å; L782-R786 WeakPolarHBondContact O-CB 3.47Å; L782-R786 PolarHBondContact O-N 2.93Å |
| 783 | D | 89.9 | Confident | 90.5 | Very high | 54 Ų | 54 | 98 Ų | 98 | 29% | 0.289 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -73.2 | -25.2 | 178.1 | -145.3 | 46.2 | 0 | 0 | 0 | 112.2 | L779 T781 R786 R787 | L779-D783 WeakPolarHBondContact O-CB 3.37Å; L779-D783 PolarHBondContact O-N 2.94Å; T781-D783 VanDerWaalsContact C-N 3.29Å; T781-D783 PolarHBondContact O-N 3.35Å; D783-R786 IonicContact OD1-CZ 3.71Å; D783-R786 IonicContact OD1-NH1 2.71Å; D783-R786 PolarHBondContact OD1-NH1 3.5Å; D783-R786 IonicContact OD2-NH1 3.25Å; D783-R787 WeakPolarHBondContact O-CD 3.48Å; D783-R787 VanDerWaalsContact O-CG 3.23Å; D783-R787 WeakPolarHBondContact O-CG 3.49Å; D783-R787 PolarHBondContact O-N 3.46Å; D783-R787 PolarHBondContact O-NE 3.18Å; D783-R787 IonicContact OD2-CZ 3.57Å; D783-R787 IonicContact OD2-NE 2.71Å; D783-R787 IonicContact OD2-NH2 3.88Å; D783-R787 PolarHBondContact OD2-NH2 3.22Å |
| 784 | Q | 91.3 | Very high | 90.4 | Very high | 110 Ų | 110 | 98 Ų | 98 | 51% | 0.514 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -78.1 | -39.7 | 172.1 | -171 | 65.5 | 7.2 | 0 | 0 | 112.4 | E780 T781 L782 R786 R787 S788 | E780-Q784 WeakPolarHBondContact O-CB 3.46Å; E780-Q784 PolarHBondContact O-N 3.01Å; E780-Q784 VanDerWaalsContact O-N 3.12Å; T781-Q784 WeakPolarHBondContact O-CB 3.45Å; T781-Q784 PolarHBondContact O-N 3.42Å; L782-Q784 VanDerWaalsContact C-N 3.31Å; L782-Q784 PolarHBondContact O-N 3.5Å; Q784-R786 VanDerWaalsContact C-N 3.33Å; Q784-R787 WeakPolarHBondContact O-CB 3.36Å; Q784-R787 PolarHBondContact O-N 3.48Å; Q784-R787 VanDerWaalsContact O-N 3.17Å; Q784-S788 PolarHBondContact O-N 3.21Å |
| 785 | E | 91.3 | Very high | 90.4 | Very high | 110 Ų | 110 | 98 Ų | 98 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 170.4 | -71.4 | 178.2 | 178.4 | 0 | 0 | 111.4 | T781 L782 R787 S788 L789 | T781-E785 WeakPolarHBondContact O-CG 3.43Å; T781-E785 PolarHBondContact O-N 2.9Å; L782-E785 PolarHBondContact O-N 3.38Å; E785-R787 VanDerWaalsContact C-N 3.27Å; E785-R787 PolarHBondContact O-N 2.98Å; E785-S788 PolarHBondContact O-N 2.94Å; E785-S788 PolarHBondContact O-OG 3.38Å; E785-L789 WeakPolarHBondContact O-CB 3.46Å; E785-L789 VanDerWaalsContact O-CG 3.31Å; E785-L789 WeakPolarHBondContact O-CG 3.45Å; E785-L789 PolarHBondContact O-N 2.92Å |
| 786 | R | 90.8 | Very high | 90.4 | Very high | 147 Ų | 147 | 98.5 Ų | 98.5 | 56% | 0.555 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.9 | -37 | 172.7 | 175.1 | 180 | 160.3 | -122.7 | -7.2 | 112.3 | L782 D783 Q784 L790 | L782-R786 VanDerWaalsContact O-CB 3.25Å; L782-R786 WeakPolarHBondContact O-CB 3.47Å; L782-R786 PolarHBondContact O-N 2.93Å; D783-R786 IonicContact OD1-CZ 3.71Å; D783-R786 IonicContact OD1-NH1 2.71Å; D783-R786 PolarHBondContact OD1-NH1 3.5Å; D783-R786 IonicContact OD2-NH1 3.25Å; Q784-R786 VanDerWaalsContact C-N 3.33Å; R786-L790 HydrophobicContact CG-CD1 4.29Å; R786-L790 WeakPolarHBondContact O-CB 3.47Å; R786-L790 WeakPolarHBondContact O-CD1 3.4Å; R786-L790 VanDerWaalsContact O-CG 3.24Å; R786-L790 WeakPolarHBondContact O-CG 3.19Å; R786-L790 PolarHBondContact O-N 3.26Å; R786-L790 VanDerWaalsContact O-N 3.13Å |
| 787 | R | 92 | Very high | 90.4 | Very high | 129 Ų | 129 | 99.1 Ų | 99.1 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.6 | -41.3 | 176.5 | -69.8 | 162.8 | -153.9 | 154.5 | 4.2 | 112.4 | D783 Q784 E785 L790 S791 | D783-R787 WeakPolarHBondContact O-CD 3.48Å; D783-R787 VanDerWaalsContact O-CG 3.23Å; D783-R787 WeakPolarHBondContact O-CG 3.49Å; D783-R787 PolarHBondContact O-N 3.46Å; D783-R787 PolarHBondContact O-NE 3.18Å; D783-R787 IonicContact OD2-CZ 3.57Å; D783-R787 IonicContact OD2-NE 2.71Å; D783-R787 IonicContact OD2-NH2 3.88Å; D783-R787 PolarHBondContact OD2-NH2 3.22Å; Q784-R787 WeakPolarHBondContact O-CB 3.36Å; Q784-R787 PolarHBondContact O-N 3.48Å; Q784-R787 VanDerWaalsContact O-N 3.17Å; E785-R787 VanDerWaalsContact C-N 3.27Å; E785-R787 PolarHBondContact O-N 2.98Å; R787-L790 PolarHBondContact O-N 3.3Å; R787-S791 PolarHBondContact O-N 3.44Å; R787-S791 VanDerWaalsContact O-N 3.1Å |
| 788 | S | 91.6 | Very high | 90.4 | Very high | 70 Ų | 70 | 102.3 Ų | 102.3 | 49% | 0.49 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 177 | 57.4 | 0 | 0 | 0 | 0 | 111.7 | Q784 E785 L790 S791 E792 | Q784-S788 PolarHBondContact O-N 3.21Å; E785-S788 PolarHBondContact O-N 2.94Å; E785-S788 PolarHBondContact O-OG 3.38Å; S788-L790 VanDerWaalsContact C-N 3.34Å; S788-L790 PolarHBondContact O-N 3.42Å; S788-S791 PolarHBondContact O-N 2.99Å; S788-E792 PolarHBondContact O-N 3.01Å |
| 789 | L | 92.1 | Very high | 90.3 | Very high | 100 Ų | 100 | 100.8 Ų | 100.8 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.1 | -37.6 | 175 | -71.2 | 170.1 | 0 | 0 | 0 | 112.8 | E785 E792 V793 | E785-L789 WeakPolarHBondContact O-CB 3.46Å; E785-L789 VanDerWaalsContact O-CG 3.31Å; E785-L789 WeakPolarHBondContact O-CG 3.45Å; E785-L789 PolarHBondContact O-N 2.92Å; L789-E792 PolarHBondContact O-N 3.28Å; L789-V793 WeakPolarHBondContact O-CB 3.46Å; L789-V793 VanDerWaalsContact O-CG2 3.31Å; L789-V793 WeakPolarHBondContact O-CG2 3.3Å; L789-V793 PolarHBondContact O-N 3.34Å |
| 790 | L | 89.9 | Confident | 90.2 | Very high | 90 Ų | 90 | 98.6 Ų | 98.6 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 174.2 | -77.5 | 168 | 0 | 0 | 0 | 111.9 | R786 R787 S788 E792 V793 E794 | R786-L790 HydrophobicContact CG-CD1 4.29Å; R786-L790 WeakPolarHBondContact O-CB 3.47Å; R786-L790 WeakPolarHBondContact O-CD1 3.4Å; R786-L790 VanDerWaalsContact O-CG 3.24Å; R786-L790 WeakPolarHBondContact O-CG 3.19Å; R786-L790 PolarHBondContact O-N 3.26Å; R786-L790 VanDerWaalsContact O-N 3.13Å; R787-L790 PolarHBondContact O-N 3.3Å; S788-L790 VanDerWaalsContact C-N 3.34Å; S788-L790 PolarHBondContact O-N 3.42Å; L790-E792 VanDerWaalsContact C-N 3.35Å; L790-E792 PolarHBondContact O-N 2.96Å; L790-V793 PolarHBondContact O-N 3.07Å; L790-E794 WeakPolarHBondContact O-CG 3.36Å; L790-E794 PolarHBondContact O-N 3.21Å |
| 791 | S | 89.4 | Confident | 90 | Very high | 72 Ų | 72 | 96.5 Ų | 96.5 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62 | -40.1 | 175.3 | -177.9 | 0 | 0 | 0 | 0 | 112.2 | R787 S788 V793 E794 L795 | R787-S791 PolarHBondContact O-N 3.44Å; R787-S791 VanDerWaalsContact O-N 3.1Å; S788-S791 PolarHBondContact O-N 2.99Å; S791-V793 VanDerWaalsContact C-N 3.35Å; S791-V793 PolarHBondContact O-N 3.14Å; S791-E794 PolarHBondContact O-N 3.24Å; S791-L795 PolarHBondContact O-N 3.2Å |
| 792 | E | 89.9 | Confident | 89.9 | Confident | 91 Ų | 91 | 95.6 Ų | 95.6 | 43% | 0.425 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 174.7 | -162.1 | -165.6 | 150.5 | 0 | 0 | 112 | S788 L789 L790 K796 | S788-E792 PolarHBondContact O-N 3.01Å; L789-E792 PolarHBondContact O-N 3.28Å; L790-E792 VanDerWaalsContact C-N 3.35Å; L790-E792 PolarHBondContact O-N 2.96Å; E792-K796 HydrophobicContact CG-CD 4.37Å; E792-K796 VanDerWaalsContact O-CB 3.31Å; E792-K796 WeakPolarHBondContact O-CB 3.44Å; E792-K796 VanDerWaalsContact O-CG 3.27Å; E792-K796 WeakPolarHBondContact O-CG 3.24Å; E792-K796 PolarHBondContact O-N 2.91Å; E792-K796 VanDerWaalsContact OE1-CE 3.3Å; E792-K796 WeakPolarHBondContact OE1-CE 3.39Å; E792-K796 IonicContact OE1-NZ 2.74Å; E792-K796 PolarHBondContact OE1-NZ 3.17Å |
| 793 | V | 89.1 | Confident | 89.9 | Confident | 71 Ų | 71 | 95.5 Ų | 95.5 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68 | -34.9 | 174.4 | 165.6 | 0 | 0 | 0 | 0 | 112 | L789 L790 S791 K797 | L789-V793 WeakPolarHBondContact O-CB 3.46Å; L789-V793 VanDerWaalsContact O-CG2 3.31Å; L789-V793 WeakPolarHBondContact O-CG2 3.3Å; L789-V793 PolarHBondContact O-N 3.34Å; L790-V793 PolarHBondContact O-N 3.07Å; S791-V793 VanDerWaalsContact C-N 3.35Å; S791-V793 PolarHBondContact O-N 3.14Å; V793-K797 WeakPolarHBondContact O-CG 3.47Å; V793-K797 PolarHBondContact O-N 3.4Å |
| 794 | E | 89.3 | Confident | 90 | Very high | 113 Ų | 113 | 98.2 Ų | 98.2 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.6 | -48.4 | 173.8 | -73.3 | 172.8 | 170.7 | 0 | 0 | 111.1 | L790 S791 K796 K797 D798 | L790-E794 WeakPolarHBondContact O-CG 3.36Å; L790-E794 PolarHBondContact O-N 3.21Å; S791-E794 PolarHBondContact O-N 3.24Å; E794-K796 VanDerWaalsContact C-N 3.26Å; E794-K796 PolarHBondContact O-N 2.84Å; E794-K797 WeakPolarHBondContact O-CA 3.43Å; E794-K797 WeakPolarHBondContact O-CB 3.41Å; E794-K797 PolarHBondContact O-N 3Å; E794-D798 PolarHBondContact O-N 3.26Å |
| 795 | L | 91.4 | Very high | 90 | Very high | 119 Ų | 119 | 98.4 Ų | 98.4 | 62% | 0.623 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.7 | -31.6 | 175.9 | -167.9 | 147.3 | 0 | 0 | 0 | 112.7 | S791 S799 | S791-L795 PolarHBondContact O-N 3.2Å; L795-S799 PolarHBondContact O-N 3.35Å; L795-S799 PolarHBondContact O-OG 2.58Å |
| 796 | K | 88.3 | Confident | 90 | Very high | 120 Ų | 120 | 102 Ų | 102 | 52% | 0.522 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.9 | -31.2 | 170.9 | -78.7 | 170.8 | 170.9 | 173.3 | 0 | 113.4 | E792 E794 S799 S800 | E792-K796 HydrophobicContact CG-CD 4.37Å; E792-K796 VanDerWaalsContact O-CB 3.31Å; E792-K796 WeakPolarHBondContact O-CB 3.44Å; E792-K796 VanDerWaalsContact O-CG 3.27Å; E792-K796 WeakPolarHBondContact O-CG 3.24Å; E792-K796 PolarHBondContact O-N 2.91Å; E792-K796 VanDerWaalsContact OE1-CE 3.3Å; E792-K796 WeakPolarHBondContact OE1-CE 3.39Å; E792-K796 IonicContact OE1-NZ 2.74Å; E792-K796 PolarHBondContact OE1-NZ 3.17Å; E794-K796 VanDerWaalsContact C-N 3.26Å; E794-K796 PolarHBondContact O-N 2.84Å; K796-S799 WeakPolarHBondContact CA-OG 3.44Å; K796-S799 PolarHBondContact O-OG 3.44Å; K796-S800 WeakPolarHBondContact O-CB 3.4Å; K796-S800 PolarHBondContact O-N 3.02Å; K796-S800 VanDerWaalsContact O-N 3.08Å |
| 797 | K | 89.8 | Confident | 90 | Very high | 112 Ų | 112 | 100.4 Ų | 100.4 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.4 | -44.6 | 170.2 | -71.7 | 164.9 | -175.2 | 169.7 | 0 | 111 | V793 E794 S799 S800 H801 | V793-K797 WeakPolarHBondContact O-CG 3.47Å; V793-K797 PolarHBondContact O-N 3.4Å; E794-K797 WeakPolarHBondContact O-CA 3.43Å; E794-K797 WeakPolarHBondContact O-CB 3.41Å; E794-K797 PolarHBondContact O-N 3Å; K797-S799 VanDerWaalsContact C-N 3.35Å; K797-S799 PolarHBondContact O-N 3.01Å; K797-S800 WeakPolarHBondContact O-CB 3.23Å; K797-S800 PolarHBondContact O-N 3.1Å; K797-S800 VanDerWaalsContact O-N 3.12Å; K797-H801 PolarHBondContact O-N 3.25Å; K797-H801 PolarHBondContact O-ND1 3.13Å |
| 798 | D | 89.8 | Confident | 89.9 | Confident | 116 Ų | 116 | 96.1 Ų | 96.1 | 62% | 0.62 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.7 | -41.7 | -178.7 | -70.5 | -10.7 | 0 | 0 | 0 | 111.5 | E794 H801 A802 | E794-D798 PolarHBondContact O-N 3.26Å; D798-H801 PolarHBondContact O-N 2.82Å; D798-A802 WeakPolarHBondContact O-CB 3.5Å; D798-A802 PolarHBondContact O-N 2.84Å |
| 799 | S | 88.4 | Confident | 89.8 | Confident | 55 Ų | 55 | 94.7 Ų | 94.7 | 39% | 0.385 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.8 | -33.8 | 172.4 | 56.2 | 0 | 0 | 0 | 0 | 113.1 | L795 K796 K797 A802 L803 | L795-S799 PolarHBondContact O-N 3.35Å; L795-S799 PolarHBondContact O-OG 2.58Å; K796-S799 WeakPolarHBondContact CA-OG 3.44Å; K796-S799 PolarHBondContact O-OG 3.44Å; K797-S799 VanDerWaalsContact C-N 3.35Å; K797-S799 PolarHBondContact O-N 3.01Å; S799-A802 PolarHBondContact O-N 3.38Å; S799-L803 WeakPolarHBondContact O-CG 3.46Å; S799-L803 PolarHBondContact O-N 2.96Å |
| 800 | S | 86.4 | Confident | 89.5 | Confident | 70 Ų | 70 | 92.7 Ų | 92.7 | 49% | 0.49 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.9 | -47.6 | 171.4 | -167.9 | 0 | 0 | 0 | 0 | 112.2 | K796 K797 A802 L803 E804 | K796-S800 WeakPolarHBondContact O-CB 3.4Å; K796-S800 PolarHBondContact O-N 3.02Å; K796-S800 VanDerWaalsContact O-N 3.08Å; K797-S800 WeakPolarHBondContact O-CB 3.23Å; K797-S800 PolarHBondContact O-N 3.1Å; K797-S800 VanDerWaalsContact O-N 3.12Å; S800-A802 VanDerWaalsContact C-N 3.3Å; S800-A802 PolarHBondContact O-N 3.34Å; S800-L803 PolarHBondContact O-N 2.93Å; S800-E804 WeakPolarHBondContact O-CB 3.36Å; S800-E804 PolarHBondContact O-N 3.08Å |
| 801 | H | 89.1 | Confident | 89.5 | Confident | 102 Ų | 102 | 92.6 Ų | 92.6 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.4 | -34.8 | 176 | -66.4 | 95.7 | 0 | 0 | 0 | 111.6 | K797 D798 E804 N805 | K797-H801 PolarHBondContact O-N 3.25Å; K797-H801 PolarHBondContact O-ND1 3.13Å; D798-H801 PolarHBondContact O-N 2.82Å; H801-E804 PolarHBondContact O-N 2.97Å; H801-N805 WeakPolarHBondContact O-CB 3.37Å; H801-N805 PolarHBondContact O-N 3.28Å; H801-N805 PolarHBondContact O-ND2 2.92Å |
| 802 | A | 89.6 | Confident | 89.6 | Confident | 55 Ų | 55 | 96.6 Ų | 96.6 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.4 | -36.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D798 S799 S800 R806 | D798-A802 WeakPolarHBondContact O-CB 3.5Å; D798-A802 PolarHBondContact O-N 2.84Å; S799-A802 PolarHBondContact O-N 3.38Å; S800-A802 VanDerWaalsContact C-N 3.3Å; S800-A802 PolarHBondContact O-N 3.34Å; A802-R806 VanDerWaalsContact O-CG 3.31Å; A802-R806 WeakPolarHBondContact O-CG 3.47Å; A802-R806 PolarHBondContact O-N 2.96Å |
| 803 | L | 89 | Confident | 89.6 | Confident | 99 Ų | 99 | 96 Ų | 96 | 52% | 0.518 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.3 | -42.2 | 173.3 | -71.7 | 170.3 | 0 | 0 | 0 | 111.9 | S799 S800 R806 L807 | S799-L803 WeakPolarHBondContact O-CG 3.46Å; S799-L803 PolarHBondContact O-N 2.96Å; S800-L803 PolarHBondContact O-N 2.93Å; L803-R806 CarbonylContact O-C 3.55Å; L803-R806 WeakPolarHBondContact O-CB 3.26Å; L803-R806 PolarHBondContact O-N 2.72Å; L803-R806 VanDerWaalsContact O-N 3.13Å; L803-L807 WeakPolarHBondContact O-CG 3.46Å; L803-L807 PolarHBondContact O-N 3.31Å |
| 804 | E | 91.4 | Very high | 89.7 | Confident | 112 Ų | 112 | 99 Ų | 99 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 175.7 | -173.4 | 174.4 | -159.4 | 0 | 0 | 111.7 | S800 H801 R806 L807 S808 | S800-E804 WeakPolarHBondContact O-CB 3.36Å; S800-E804 PolarHBondContact O-N 3.08Å; H801-E804 PolarHBondContact O-N 2.97Å; E804-R806 VanDerWaalsContact C-N 3.28Å; E804-R806 PolarHBondContact O-N 2.93Å; E804-L807 WeakPolarHBondContact O-CB 3.25Å; E804-L807 PolarHBondContact O-N 3.06Å; E804-L807 VanDerWaalsContact O-N 3.17Å; E804-S808 PolarHBondContact O-N 3.31Å |
| 805 | N | 90.9 | Very high | 89.8 | Confident | 114 Ų | 114 | 97.6 Ų | 97.6 | 61% | 0.61 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61 | -35 | 174 | -81.1 | -75 | 0 | 0 | 0 | 112.9 | H801 A809 | H801-N805 WeakPolarHBondContact O-CB 3.37Å; H801-N805 PolarHBondContact O-N 3.28Å; H801-N805 PolarHBondContact O-ND2 2.92Å; N805-A809 PolarHBondContact O-N 2.86Å |
| 806 | R | 91.9 | Very high | 89.8 | Confident | 185 Ų | 185 | 96.6 Ų | 96.6 | 70% | 0.698 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -72.4 | -35.5 | 174.8 | -75.5 | 177.4 | 67 | -175.5 | -0.1 | 112.7 | A802 L803 E804 A809 A810 | A802-R806 VanDerWaalsContact O-CG 3.31Å; A802-R806 WeakPolarHBondContact O-CG 3.47Å; A802-R806 PolarHBondContact O-N 2.96Å; L803-R806 CarbonylContact O-C 3.55Å; L803-R806 WeakPolarHBondContact O-CB 3.26Å; L803-R806 PolarHBondContact O-N 2.72Å; L803-R806 VanDerWaalsContact O-N 3.13Å; E804-R806 VanDerWaalsContact C-N 3.28Å; E804-R806 PolarHBondContact O-N 2.93Å; R806-A809 PolarHBondContact O-N 3.45Å; R806-A810 PolarHBondContact O-N 2.72Å |
| 807 | L | 89.7 | Confident | 89.9 | Confident | 114 Ų | 114 | 96.9 Ų | 96.9 | 60% | 0.597 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.8 | -51.9 | 172.5 | -74.4 | 166.5 | 0 | 0 | 0 | 110 | L803 E804 A809 A810 E811 | L803-L807 WeakPolarHBondContact O-CG 3.46Å; L803-L807 PolarHBondContact O-N 3.31Å; E804-L807 WeakPolarHBondContact O-CB 3.25Å; E804-L807 PolarHBondContact O-N 3.06Å; E804-L807 VanDerWaalsContact O-N 3.17Å; L807-A809 PolarHBondContact O-N 3.1Å; L807-A810 CarbonylContact O-C 3.58Å; L807-A810 PolarHBondContact O-N 2.78Å; L807-E811 WeakPolarHBondContact O-CG 3.49Å; L807-E811 PolarHBondContact O-N 3.05Å |
| 808 | S | 90.8 | Very high | 90 | Very high | 38 Ų | 38 | 96.1 Ų | 96.1 | 27% | 0.266 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.7 | -21.2 | 176.6 | -60.5 | 0 | 0 | 0 | 0 | 114.1 | E804 E811 R812 | E804-S808 PolarHBondContact O-N 3.31Å; S808-E811 WeakPolarHBondContact CA-OE2 3.46Å; S808-R812 VanDerWaalsContact O-CG 3.3Å; S808-R812 WeakPolarHBondContact O-CG 3.41Å; S808-R812 PolarHBondContact O-N 3.38Å; S808-R812 PolarHBondContact O-NH1 2.98Å |
| 809 | A | 90.3 | Very high | 90 | Very high | 41 Ų | 41 | 93.7 Ų | 93.7 | 34% | 0.339 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.9 | -51.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | N805 R806 L807 E811 R812 D813 | N805-A809 PolarHBondContact O-N 2.86Å; R806-A809 PolarHBondContact O-N 3.45Å; L807-A809 PolarHBondContact O-N 3.1Å; A809-E811 VanDerWaalsContact C-N 3.27Å; A809-E811 PolarHBondContact O-N 3.43Å; A809-R812 PolarHBondContact O-N 2.97Å; A809-R812 VanDerWaalsContact O-N 3.12Å; A809-D813 PolarHBondContact O-N 2.83Å |
| 810 | A | 85.7 | Confident | 90.1 | Very high | 58 Ų | 58 | 99 Ų | 99 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.3 | -32.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | R806 L807 D813 R814 | R806-A810 PolarHBondContact O-N 2.72Å; L807-A810 CarbonylContact O-C 3.58Å; L807-A810 PolarHBondContact O-N 2.78Å; A810-D813 PolarHBondContact O-N 3.3Å; A810-R814 WeakPolarHBondContact O-CB 3.41Å; A810-R814 PolarHBondContact O-N 2.84Å |
| 811 | E | 89.5 | Confident | 90.3 | Very high | 88 Ų | 88 | 100.1 Ų | 100.1 | 41% | 0.411 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.2 | -47.6 | 172 | -70.9 | 177.6 | 129.9 | 0 | 0 | 111.6 | L807 S808 A809 D813 R814 D815 | L807-E811 WeakPolarHBondContact O-CG 3.49Å; L807-E811 PolarHBondContact O-N 3.05Å; S808-E811 WeakPolarHBondContact CA-OE2 3.46Å; A809-E811 VanDerWaalsContact C-N 3.27Å; A809-E811 PolarHBondContact O-N 3.43Å; E811-D813 VanDerWaalsContact C-N 3.26Å; E811-D813 PolarHBondContact O-N 2.89Å; E811-R814 WeakPolarHBondContact O-CB 3.23Å; E811-R814 PolarHBondContact O-N 2.9Å; E811-D815 WeakPolarHBondContact O-CB 3.37Å; E811-D815 PolarHBondContact O-N 2.89Å |
| 812 | R | 90.8 | Very high | 90.4 | Very high | 155 Ų | 155 | 99.1 Ų | 99.1 | 59% | 0.585 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.8 | -33.5 | 175.9 | -67.7 | 173.2 | -166.4 | 108.4 | -6.5 | 112.3 | S808 A809 Q816 | S808-R812 VanDerWaalsContact O-CG 3.3Å; S808-R812 WeakPolarHBondContact O-CG 3.41Å; S808-R812 PolarHBondContact O-N 3.38Å; S808-R812 PolarHBondContact O-NH1 2.98Å; A809-R812 PolarHBondContact O-N 2.97Å; A809-R812 VanDerWaalsContact O-N 3.12Å; R812-Q816 VanDerWaalsContact O-CG 3.28Å; R812-Q816 WeakPolarHBondContact O-CG 3.29Å; R812-Q816 PolarHBondContact O-N 3.49Å; R812-Q816 VanDerWaalsContact O-N 3.1Å; R812-Q816 PolarHBondContact O-NE2 3.23Å |
| 813 | D | 90.6 | Very high | 90.5 | Very high | 78 Ų | 78 | 97.9 Ų | 97.9 | 42% | 0.417 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -73 | -43.4 | 175.7 | -69.6 | -22.3 | 0 | 0 | 0 | 111.4 | A809 A810 E811 D815 Q816 F817 | A809-D813 PolarHBondContact O-N 2.83Å; A810-D813 PolarHBondContact O-N 3.3Å; E811-D813 VanDerWaalsContact C-N 3.26Å; E811-D813 PolarHBondContact O-N 2.89Å; D813-D815 VanDerWaalsContact C-N 3.31Å; D813-D815 PolarHBondContact O-N 3.4Å; D813-Q816 WeakPolarHBondContact O-CB 3.23Å; D813-Q816 PolarHBondContact O-N 2.96Å; D813-Q816 PolarHBondContact OD1-NE2 3.32Å; D813-F817 HydrophobicContact CB-CE2 4.22Å; D813-F817 WeakPolarHBondContact O-CD2 3.45Å; D813-F817 WeakPolarHBondContact O-CG 3.34Å; D813-F817 PolarHBondContact O-N 2.85Å |
| 814 | R | 91.6 | Very high | 90.5 | Very high | 135 Ų | 135 | 96.6 Ų | 96.6 | 51% | 0.509 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -54.2 | -47.4 | 170.6 | 178.7 | -160.5 | 65.6 | -149.5 | -9.3 | 111.2 | A810 E811 Q816 F817 Q818 | A810-R814 WeakPolarHBondContact O-CB 3.41Å; A810-R814 PolarHBondContact O-N 2.84Å; E811-R814 WeakPolarHBondContact O-CB 3.23Å; E811-R814 PolarHBondContact O-N 2.9Å; R814-Q816 VanDerWaalsContact C-N 3.33Å; R814-Q816 PolarHBondContact O-N 2.8Å; R814-F817 CarbonylContact O-C 3.57Å; R814-F817 PolarHBondContact O-N 3.08Å; R814-F817 VanDerWaalsContact O-N 3.11Å; R814-Q818 PolarHBondContact O-N 3.25Å |
| 815 | D | 90.2 | Very high | 90.4 | Very high | 84 Ų | 84 | 97.7 Ų | 97.7 | 45% | 0.449 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.8 | -33.2 | -176.7 | -60.5 | -9.7 | 0 | 0 | 0 | 111.4 | E811 D813 A819 | E811-D815 WeakPolarHBondContact O-CB 3.37Å; E811-D815 PolarHBondContact O-N 2.89Å; D813-D815 VanDerWaalsContact C-N 3.31Å; D813-D815 PolarHBondContact O-N 3.4Å; D815-A819 PolarHBondContact O-N 3.04Å; D815-A819 VanDerWaalsContact O-N 3.08Å |
| 816 | Q | 92.2 | Very high | 90.3 | Very high | 98 Ų | 98 | 99.7 Ų | 99.7 | 46% | 0.458 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.7 | -39 | 168.1 | -76.2 | 169 | 88.1 | 0 | 0 | 112.9 | R812 D813 R814 R820 | R812-Q816 VanDerWaalsContact O-CG 3.28Å; R812-Q816 WeakPolarHBondContact O-CG 3.29Å; R812-Q816 PolarHBondContact O-N 3.49Å; R812-Q816 VanDerWaalsContact O-N 3.1Å; R812-Q816 PolarHBondContact O-NE2 3.23Å; D813-Q816 WeakPolarHBondContact O-CB 3.23Å; D813-Q816 PolarHBondContact O-N 2.96Å; D813-Q816 PolarHBondContact OD1-NE2 3.32Å; R814-Q816 VanDerWaalsContact C-N 3.33Å; R814-Q816 PolarHBondContact O-N 2.8Å; Q816-R820 WeakPolarHBondContact O-CG 3.48Å; Q816-R820 PolarHBondContact O-N 2.63Å |
| 817 | F | 90.4 | Very high | 90.1 | Very high | 126 Ų | 126 | 97.4 Ų | 97.4 | 55% | 0.553 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.2 | -38.8 | 175.4 | -70.5 | -57 | 0 | 0 | 0 | 111.6 | D813 R814 R820 L821 | D813-F817 HydrophobicContact CB-CE2 4.22Å; D813-F817 WeakPolarHBondContact O-CD2 3.45Å; D813-F817 WeakPolarHBondContact O-CG 3.34Å; D813-F817 PolarHBondContact O-N 2.85Å; R814-F817 CarbonylContact O-C 3.57Å; R814-F817 PolarHBondContact O-N 3.08Å; R814-F817 VanDerWaalsContact O-N 3.11Å; F817-R820 WeakPolarHBondContact O-CB 3.17Å; F817-R820 PolarHBondContact O-N 3.32Å; F817-L821 WeakPolarHBondContact O-CG 3.41Å; F817-L821 PolarHBondContact O-N 2.89Å |
| 818 | Q | 91.1 | Very high | 89.9 | Confident | 96 Ų | 96 | 95.1 Ų | 95.1 | 45% | 0.449 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.9 | -51.1 | 174.1 | -170.7 | 61.9 | 51.2 | 0 | 0 | 110.8 | R814 R820 L821 D822 | R814-Q818 PolarHBondContact O-N 3.25Å; Q818-R820 PolarHBondContact O-N 3.32Å; Q818-R820 VanDerWaalsContact O-N 3.11Å; Q818-L821 WeakPolarHBondContact O-CA 3.32Å; Q818-L821 WeakPolarHBondContact O-CB 3.3Å; Q818-L821 PolarHBondContact O-N 3.21Å; Q818-D822 PolarHBondContact NE2-OD1 3.31Å; Q818-D822 PolarHBondContact O-N 3.15Å |
| 819 | A | 89.8 | Confident | 89.8 | Confident | 64 Ų | 64 | 95.9 Ų | 95.9 | 53% | 0.529 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.5 | -26.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D815 G823 | D815-A819 PolarHBondContact O-N 3.04Å; D815-A819 VanDerWaalsContact O-N 3.08Å; A819-G823 PolarHBondContact O-N 3.23Å |
| 820 | R | 91.6 | Very high | 89.8 | Confident | 166 Ų | 166 | 95.9 Ų | 95.9 | 63% | 0.626 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -77.1 | -39.5 | 171.4 | -71.4 | 176.9 | -174.2 | -160.8 | 4.9 | 112.5 | Q816 F817 Q818 G823 V824 | Q816-R820 WeakPolarHBondContact O-CG 3.48Å; Q816-R820 PolarHBondContact O-N 2.63Å; F817-R820 WeakPolarHBondContact O-CB 3.17Å; F817-R820 PolarHBondContact O-N 3.32Å; Q818-R820 PolarHBondContact O-N 3.32Å; Q818-R820 VanDerWaalsContact O-N 3.11Å; R820-G823 PolarHBondContact O-N 3.41Å; R820-V824 WeakPolarHBondContact O-CG2 3.5Å; R820-V824 PolarHBondContact O-N 3.33Å |
| 821 | L | 89.9 | Confident | 90 | Very high | 95 Ų | 95 | 98.1 Ų | 98.1 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -47.8 | 174.4 | -71.6 | 169.4 | 0 | 0 | 0 | 110.5 | F817 Q818 G823 V824 E825 | F817-L821 WeakPolarHBondContact O-CG 3.41Å; F817-L821 PolarHBondContact O-N 2.89Å; Q818-L821 WeakPolarHBondContact O-CA 3.32Å; Q818-L821 WeakPolarHBondContact O-CB 3.3Å; Q818-L821 PolarHBondContact O-N 3.21Å; L821-G823 VanDerWaalsContact C-N 3.27Å; L821-G823 PolarHBondContact O-N 3.39Å; L821-V824 CarbonylContact O-C 3.6Å; L821-V824 PolarHBondContact O-N 3.06Å; L821-V824 VanDerWaalsContact O-N 3.07Å; L821-E825 WeakPolarHBondContact O-CG 3.47Å; L821-E825 PolarHBondContact O-N 3.1Å |
| 822 | D | 90.7 | Very high | 90 | Very high | 81 Ų | 81 | 102 Ų | 102 | 43% | 0.433 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -54.9 | -43 | 176.7 | -57.1 | -18.8 | 0 | 0 | 0 | 111.4 | Q818 E825 Q826 | Q818-D822 PolarHBondContact NE2-OD1 3.31Å; Q818-D822 PolarHBondContact O-N 3.15Å; D822-E825 PolarHBondContact O-N 2.97Å; D822-Q826 PolarHBondContact O-N 3.37Å |
| 823 | G | 92.3 | Very high | 89.9 | Confident | 29 Ų | 29 | 96.5 Ų | 96.5 | 30% | 0.299 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.7 | -45.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A819 R820 L821 E825 Q826 E827 | A819-G823 PolarHBondContact O-N 3.23Å; R820-G823 PolarHBondContact O-N 3.41Å; L821-G823 VanDerWaalsContact C-N 3.27Å; L821-G823 PolarHBondContact O-N 3.39Å; G823-E825 VanDerWaalsContact C-N 3.32Å; G823-E825 PolarHBondContact O-N 3.37Å; G823-Q826 WeakPolarHBondContact O-CB 3.38Å; G823-Q826 PolarHBondContact O-N 2.83Å; G823-E827 PolarHBondContact O-N 3.28Å |
| 824 | V | 89.8 | Confident | 89.8 | Confident | 72 Ų | 72 | 98.8 Ų | 98.8 | 44% | 0.436 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.1 | -33.2 | 176.5 | 169 | 0 | 0 | 0 | 0 | 111.6 | R820 L821 N828 | R820-V824 WeakPolarHBondContact O-CG2 3.5Å; R820-V824 PolarHBondContact O-N 3.33Å; L821-V824 CarbonylContact O-C 3.6Å; L821-V824 PolarHBondContact O-N 3.06Å; L821-V824 VanDerWaalsContact O-N 3.07Å; V824-N828 WeakPolarHBondContact O-CB 3.33Å; V824-N828 PolarHBondContact O-N 3.45Å; V824-N828 PolarHBondContact O-ND2 3.41Å |
| 825 | E | 88.9 | Confident | 89.7 | Confident | 135 Ų | 135 | 96.3 Ų | 96.3 | 63% | 0.631 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.8 | -40.1 | 172.1 | -73.4 | -166.7 | 177.8 | 0 | 0 | 111.7 | L821 D822 G823 N828 A829 | L821-E825 WeakPolarHBondContact O-CG 3.47Å; L821-E825 PolarHBondContact O-N 3.1Å; D822-E825 PolarHBondContact O-N 2.97Å; G823-E825 VanDerWaalsContact C-N 3.32Å; G823-E825 PolarHBondContact O-N 3.37Å; E825-N828 PolarHBondContact O-N 2.89Å; E825-A829 WeakPolarHBondContact O-CB 3.47Å; E825-A829 PolarHBondContact O-N 2.9Å |
| 826 | Q | 87.5 | Confident | 89.6 | Confident | 155 Ų | 155 | 96.5 Ų | 96.5 | 72% | 0.724 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.3 | -41.9 | 174.2 | -167.9 | 176.3 | 21.6 | 0 | 0 | 112.1 | D822 G823 A829 G830 | D822-Q826 PolarHBondContact O-N 3.37Å; G823-Q826 WeakPolarHBondContact O-CB 3.38Å; G823-Q826 PolarHBondContact O-N 2.83Å; Q826-A829 PolarHBondContact O-N 3.17Å; Q826-G830 PolarHBondContact O-N 3.49Å |
| 827 | E | 89.1 | Confident | 89.5 | Confident | 138 Ų | 138 | 99 Ų | 99 | 65% | 0.645 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.3 | -45.1 | 172.3 | -73.3 | -177.5 | 174.3 | 0 | 0 | 111.6 | G823 A829 G830 L831 | G823-E827 PolarHBondContact O-N 3.28Å; E827-A829 VanDerWaalsContact C-N 3.33Å; E827-A829 PolarHBondContact O-N 2.9Å; E827-G830 PolarHBondContact O-N 2.97Å; E827-G830 VanDerWaalsContact O-N 3.15Å; E827-L831 WeakPolarHBondContact O-CG 3.49Å; E827-L831 PolarHBondContact O-N 2.98Å |
| 828 | N | 84.6 | Confident | 89.2 | Confident | 65 Ų | 65 | 96 Ų | 96 | 35% | 0.348 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.7 | -38.3 | 175.4 | -88.9 | -80.6 | 0 | 0 | 0 | 112.5 | V824 E825 L831 R832 | V824-N828 WeakPolarHBondContact O-CB 3.33Å; V824-N828 PolarHBondContact O-N 3.45Å; V824-N828 PolarHBondContact O-ND2 3.41Å; E825-N828 PolarHBondContact O-N 2.89Å; N828-L831 PolarHBondContact O-N 3.02Å; N828-R832 WeakPolarHBondContact O-CB 3.34Å; N828-R832 WeakPolarHBondContact O-CD 3.46Å; N828-R832 WeakPolarHBondContact O-CG 3.4Å; N828-R832 PolarHBondContact O-N 3.22Å |
| 829 | A | 88.4 | Confident | 89.1 | Confident | 55 Ų | 55 | 98.2 Ų | 98.2 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E825 Q826 E827 A833 | E825-A829 WeakPolarHBondContact O-CB 3.47Å; E825-A829 PolarHBondContact O-N 2.9Å; Q826-A829 PolarHBondContact O-N 3.17Å; E827-A829 VanDerWaalsContact C-N 3.33Å; E827-A829 PolarHBondContact O-N 2.9Å; A829-A833 WeakPolarHBondContact O-CB 3.42Å; A829-A833 PolarHBondContact O-N 3.47Å |
| 830 | G | 91.1 | Very high | 89.1 | Confident | 40 Ų | 40 | 101.4 Ų | 101.4 | 41% | 0.412 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.6 | -47.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | Q826 E827 A833 Q834 | Q826-G830 PolarHBondContact O-N 3.49Å; E827-G830 PolarHBondContact O-N 2.97Å; E827-G830 VanDerWaalsContact O-N 3.15Å; G830-A833 PolarHBondContact O-N 2.86Å; G830-Q834 PolarHBondContact O-N 2.88Å |
| 831 | L | 89.6 | Confident | 89 | Confident | 105 Ų | 105 | 100.6 Ų | 100.6 | 55% | 0.55 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64 | -43.3 | 177.4 | -70.8 | 172.9 | 0 | 0 | 0 | 112.1 | E827 N828 A833 Q834 L835 | E827-L831 WeakPolarHBondContact O-CG 3.49Å; E827-L831 PolarHBondContact O-N 2.98Å; N828-L831 PolarHBondContact O-N 3.02Å; L831-A833 PolarHBondContact O-N 3.49Å; L831-Q834 WeakPolarHBondContact O-CB 3.34Å; L831-Q834 PolarHBondContact O-N 3.46Å; L831-L835 WeakPolarHBondContact O-CB 3.46Å; L831-L835 PolarHBondContact O-N 3.36Å |
| 832 | R | 89.6 | Confident | 88.8 | Confident | 171 Ų | 171 | 98.8 Ų | 98.8 | 65% | 0.645 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.8 | -46.3 | 173.7 | -73.4 | 167.6 | -172.4 | 172.2 | 4.5 | 111.2 | N828 Q834 L835 E836 | N828-R832 WeakPolarHBondContact O-CB 3.34Å; N828-R832 WeakPolarHBondContact O-CD 3.46Å; N828-R832 WeakPolarHBondContact O-CG 3.4Å; N828-R832 PolarHBondContact O-N 3.22Å; R832-Q834 VanDerWaalsContact C-N 3.29Å; R832-Q834 PolarHBondContact O-N 3.19Å; R832-L835 PolarHBondContact O-N 3.34Å; R832-L835 VanDerWaalsContact O-N 3.11Å; R832-E836 PolarHBondContact O-N 2.83Å |
| 833 | A | 88 | Confident | 88.6 | Confident | 38 Ų | 38 | 97.9 Ų | 97.9 | 31% | 0.314 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.6 | -30.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A829 G830 L831 R837 | A829-A833 WeakPolarHBondContact O-CB 3.42Å; A829-A833 PolarHBondContact O-N 3.47Å; G830-A833 PolarHBondContact O-N 2.86Å; L831-A833 PolarHBondContact O-N 3.49Å; A833-R837 WeakPolarHBondContact O-CD 3.36Å; A833-R837 VanDerWaalsContact O-CG 3.22Å; A833-R837 WeakPolarHBondContact O-CG 3.43Å; A833-R837 PolarHBondContact O-N 3.14Å |
| 834 | Q | 90.1 | Very high | 88.5 | Confident | 126 Ų | 126 | 99.4 Ų | 99.4 | 59% | 0.589 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71.9 | -34.5 | 171.9 | -177.6 | 173.8 | -8.9 | 0 | 0 | 112.4 | G830 L831 R832 R837 S838 | G830-Q834 PolarHBondContact O-N 2.88Å; L831-Q834 WeakPolarHBondContact O-CB 3.34Å; L831-Q834 PolarHBondContact O-N 3.46Å; R832-Q834 VanDerWaalsContact C-N 3.29Å; R832-Q834 PolarHBondContact O-N 3.19Å; Q834-R837 PolarHBondContact O-N 2.95Å; Q834-S838 PolarHBondContact O-N 3.46Å; Q834-S838 VanDerWaalsContact O-N 3.11Å |
| 835 | L | 87.9 | Confident | 88.4 | Confident | 83 Ų | 83 | 102 Ų | 102 | 44% | 0.435 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -74.1 | -37.9 | 179.6 | -149.7 | 164.5 | 0 | 0 | 0 | 111.6 | L831 R832 S838 R839 | L831-L835 WeakPolarHBondContact O-CB 3.46Å; L831-L835 PolarHBondContact O-N 3.36Å; R832-L835 PolarHBondContact O-N 3.34Å; R832-L835 VanDerWaalsContact O-N 3.11Å; L835-S838 PolarHBondContact O-N 2.97Å; L835-S838 PolarHBondContact O-OG 3.42Å; L835-R839 HydrophobicContact CD2-CG 4.08Å; L835-R839 VanDerWaalsContact CD2-NE 3.27Å; L835-R839 WeakPolarHBondContact O-CG 3.36Å; L835-R839 PolarHBondContact O-N 3.27Å |
| 836 | E | 88.5 | Confident | 88.2 | Confident | 89 Ų | 89 | 98.3 Ų | 98.3 | 42% | 0.416 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 169.8 | -63.8 | -45.3 | 134.6 | 0 | 0 | 111.7 | R832 S838 R839 E840 | R832-E836 PolarHBondContact O-N 2.83Å; E836-S838 PolarHBondContact O-N 3.17Å; E836-S838 VanDerWaalsContact O-N 3.15Å; E836-R839 WeakPolarHBondContact O-CB 3.3Å; E836-R839 PolarHBondContact O-N 2.87Å; E836-R839 VanDerWaalsContact O-N 3.08Å; E836-R839 IonicContact OE1-CZ 2.64Å; E836-R839 IonicContact OE1-NE 2.65Å; E836-R839 IonicContact OE1-NH1 2.7Å; E836-R839 PolarHBondContact OE1-NH1 3.44Å; E836-R839 VanDerWaalsContact OE2-CD 3.26Å; E836-R839 WeakPolarHBondContact OE2-CD 3.39Å; E836-R839 IonicContact OE2-NH1 2.95Å; E836-E840 WeakPolarHBondContact O-CG 3.37Å; E836-E840 PolarHBondContact O-N 3.38Å |
| 837 | R | 90.9 | Very high | 88.3 | Confident | 149 Ų | 149 | 96.7 Ų | 96.7 | 56% | 0.562 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.7 | -22.6 | 173.8 | -69.4 | 171.9 | -156.8 | 144.7 | 4.7 | 114 | A833 Q834 K841 | A833-R837 WeakPolarHBondContact O-CD 3.36Å; A833-R837 VanDerWaalsContact O-CG 3.22Å; A833-R837 WeakPolarHBondContact O-CG 3.43Å; A833-R837 PolarHBondContact O-N 3.14Å; Q834-R837 PolarHBondContact O-N 2.95Å; R837-K841 WeakPolarHBondContact O-CD 3.23Å; R837-K841 VanDerWaalsContact O-CG 3.27Å; R837-K841 WeakPolarHBondContact O-CG 3.48Å |
| 838 | S | 83.9 | Confident | 88.2 | Confident | 64 Ų | 64 | 93.7 Ų | 93.7 | 45% | 0.448 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -85.9 | -34.7 | 173 | 71.9 | 0 | 0 | 0 | 0 | 111.9 | Q834 L835 E836 K841 A842 | Q834-S838 PolarHBondContact O-N 3.46Å; Q834-S838 VanDerWaalsContact O-N 3.11Å; L835-S838 PolarHBondContact O-N 2.97Å; L835-S838 PolarHBondContact O-OG 3.42Å; E836-S838 PolarHBondContact O-N 3.17Å; E836-S838 VanDerWaalsContact O-N 3.15Å; S838-K841 PolarHBondContact O-N 2.88Å; S838-A842 WeakPolarHBondContact O-CB 3.25Å; S838-A842 PolarHBondContact O-N 3.4Å |
| 839 | R | 89.3 | Confident | 88.3 | Confident | 143 Ų | 143 | 95.6 Ų | 95.6 | 54% | 0.54 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61 | -46.8 | 169.4 | -73.4 | 167.8 | 169.5 | 178.6 | -2.9 | 112.2 | L835 E836 K841 A842 A843 | L835-R839 HydrophobicContact CD2-CG 4.08Å; L835-R839 VanDerWaalsContact CD2-NE 3.27Å; L835-R839 WeakPolarHBondContact O-CG 3.36Å; L835-R839 PolarHBondContact O-N 3.27Å; E836-R839 WeakPolarHBondContact O-CB 3.3Å; E836-R839 PolarHBondContact O-N 2.87Å; E836-R839 VanDerWaalsContact O-N 3.08Å; E836-R839 IonicContact OE1-CZ 2.64Å; E836-R839 IonicContact OE1-NE 2.65Å; E836-R839 IonicContact OE1-NH1 2.7Å; E836-R839 PolarHBondContact OE1-NH1 3.44Å; E836-R839 VanDerWaalsContact OE2-CD 3.26Å; E836-R839 WeakPolarHBondContact OE2-CD 3.39Å; E836-R839 IonicContact OE2-NH1 2.95Å; R839-K841 VanDerWaalsContact C-N 3.33Å; R839-K841 PolarHBondContact O-N 3Å; R839-A842 PolarHBondContact O-N 2.95Å; R839-A843 WeakPolarHBondContact O-CB 3.44Å; R839-A843 PolarHBondContact O-N 3.09Å |
| 840 | E | 90.1 | Very high | 88.3 | Confident | 130 Ų | 130 | 96.5 Ų | 96.5 | 61% | 0.607 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -55.7 | -46.2 | 175 | -72.6 | 171.6 | 161.4 | 0 | 0 | 111.6 | E836 A843 A844 | E836-E840 WeakPolarHBondContact O-CG 3.37Å; E836-E840 PolarHBondContact O-N 3.38Å; E840-A843 PolarHBondContact O-N 3.34Å; E840-A844 WeakPolarHBondContact O-CB 3.42Å; E840-A844 PolarHBondContact O-N 3.48Å |
| 841 | K | 89.4 | Confident | 88.2 | Confident | 149 Ų | 149 | 98.2 Ų | 98.2 | 65% | 0.648 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.2 | -41.1 | 176.7 | -72.5 | 174.2 | -176.6 | -176.9 | 0 | 112.5 | R837 S838 R839 A844 L845 | R837-K841 WeakPolarHBondContact O-CD 3.23Å; R837-K841 VanDerWaalsContact O-CG 3.27Å; R837-K841 WeakPolarHBondContact O-CG 3.48Å; S838-K841 PolarHBondContact O-N 2.88Å; R839-K841 VanDerWaalsContact C-N 3.33Å; R839-K841 PolarHBondContact O-N 3Å; K841-A844 PolarHBondContact O-N 3.38Å; K841-L845 WeakPolarHBondContact O-CB 3.47Å; K841-L845 WeakPolarHBondContact O-CG 3.26Å; K841-L845 PolarHBondContact O-N 2.93Å |
| 842 | A | 84.4 | Confident | 88 | Confident | 57 Ų | 57 | 98.3 Ų | 98.3 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S838 R839 L845 A846 | S838-A842 WeakPolarHBondContact O-CB 3.25Å; S838-A842 PolarHBondContact O-N 3.4Å; R839-A842 PolarHBondContact O-N 2.95Å; A842-L845 PolarHBondContact O-N 3.24Å; A842-A846 WeakPolarHBondContact O-CB 3.42Å; A842-A846 PolarHBondContact O-N 2.83Å |
| 843 | A | 88.1 | Confident | 87.9 | Confident | 62 Ų | 62 | 95.4 Ų | 95.4 | 51% | 0.512 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R839 E840 A846 H847 | R839-A843 WeakPolarHBondContact O-CB 3.44Å; R839-A843 PolarHBondContact O-N 3.09Å; E840-A843 PolarHBondContact O-N 3.34Å; A843-A846 PolarHBondContact O-N 2.97Å; A843-H847 WeakPolarHBondContact O-CB 3.49Å; A843-H847 PolarHBondContact O-N 3.03Å |
| 844 | A | 88.3 | Confident | 87.7 | Confident | 61 Ų | 61 | 98.8 Ų | 98.8 | 50% | 0.504 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E840 K841 E848 | E840-A844 WeakPolarHBondContact O-CB 3.42Å; E840-A844 PolarHBondContact O-N 3.48Å; K841-A844 PolarHBondContact O-N 3.38Å; A844-E848 PolarHBondContact O-N 3.1Å |
| 845 | L | 89.6 | Confident | 87.6 | Confident | 128 Ų | 128 | 98.2 Ų | 98.2 | 67% | 0.67 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.6 | -39 | 175.2 | -72.4 | 169.9 | 0 | 0 | 0 | 112.5 | K841 A842 E848 L849 | K841-L845 WeakPolarHBondContact O-CB 3.47Å; K841-L845 WeakPolarHBondContact O-CG 3.26Å; K841-L845 PolarHBondContact O-N 2.93Å; A842-L845 PolarHBondContact O-N 3.24Å; L845-E848 PolarHBondContact O-N 2.89Å; L845-L849 WeakPolarHBondContact O-CB 3.39Å; L845-L849 PolarHBondContact O-N 3.42Å |
| 846 | A | 84.8 | Confident | 87.5 | Confident | 57 Ų | 57 | 95.3 Ų | 95.3 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | A842 A843 L849 D850 | A842-A846 WeakPolarHBondContact O-CB 3.42Å; A842-A846 PolarHBondContact O-N 2.83Å; A843-A846 PolarHBondContact O-N 2.97Å; A846-L849 PolarHBondContact O-N 3.24Å; A846-D850 WeakPolarHBondContact O-CB 3.41Å; A846-D850 PolarHBondContact O-N 2.74Å |
| 847 | H | 87.6 | Confident | 87.3 | Confident | 120 Ų | 120 | 93.1 Ų | 93.1 | 56% | 0.556 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.3 | -36.3 | 175.1 | 174.1 | -102.7 | 0 | 0 | 0 | 112.5 | A843 K851 | A843-H847 WeakPolarHBondContact O-CB 3.49Å; A843-H847 PolarHBondContact O-N 3.03Å; H847-K851 VanDerWaalsContact CE1-CE 3.45Å; H847-K851 WeakPolarHBondContact CE1-CE 3.24Å; H847-K851 PolarHBondContact O-N 2.77Å |
| 848 | E | 89 | Confident | 87.1 | Confident | 76 Ų | 76 | 87.8 Ų | 87.8 | 36% | 0.355 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.7 | -40.3 | 173 | -167.9 | 56 | -139.7 | 0 | 0 | 111.6 | A844 L845 D850 K851 Q852 | A844-E848 PolarHBondContact O-N 3.1Å; L845-E848 PolarHBondContact O-N 2.89Å; E848-D850 VanDerWaalsContact C-N 3.3Å; E848-D850 PolarHBondContact O-N 3.05Å; E848-K851 WeakPolarHBondContact O-CB 3.35Å; E848-K851 PolarHBondContact O-N 3.47Å; E848-K851 WeakPolarHBondContact OE2-CE 3.5Å; E848-K851 IonicContact OE2-NZ 3.34Å; E848-K851 PolarHBondContact OE2-NZ 3.46Å; E848-Q852 WeakPolarHBondContact O-CG 3.37Å; E848-Q852 PolarHBondContact O-N 2.85Å; E848-Q852 PolarHBondContact OE1-NE2 3.4Å |
| 849 | L | 86 | Confident | 87.3 | Confident | 104 Ų | 104 | 89.6 Ų | 89.6 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 173.9 | -176.5 | 65.9 | 0 | 0 | 0 | 111.9 | L845 A846 Q852 Q853 | L845-L849 WeakPolarHBondContact O-CB 3.39Å; L845-L849 PolarHBondContact O-N 3.42Å; A846-L849 PolarHBondContact O-N 3.24Å; L849-Q852 PolarHBondContact O-N 3.21Å; L849-Q853 WeakPolarHBondContact O-CG 3.37Å; L849-Q853 PolarHBondContact O-N 3.5Å |
| 850 | D | 87.6 | Confident | 87.2 | Confident | 75 Ų | 75 | 89.5 Ų | 89.5 | 40% | 0.401 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 176.3 | -173 | 55.8 | 0 | 0 | 0 | 111.7 | A846 E848 Q852 Q853 Q854 | A846-D850 WeakPolarHBondContact O-CB 3.41Å; A846-D850 PolarHBondContact O-N 2.74Å; E848-D850 VanDerWaalsContact C-N 3.3Å; E848-D850 PolarHBondContact O-N 3.05Å; D850-Q852 VanDerWaalsContact C-N 3.32Å; D850-Q852 PolarHBondContact O-N 3.21Å; D850-Q853 WeakPolarHBondContact O-CB 3.17Å; D850-Q853 PolarHBondContact O-N 3.36Å; D850-Q853 VanDerWaalsContact O-N 3.09Å; D850-Q854 WeakPolarHBondContact O-CG 3.5Å; D850-Q854 PolarHBondContact O-N 3.13Å; D850-Q854 PolarHBondContact OD2-NE2 2.89Å |
| 851 | K | 88.9 | Confident | 87.1 | Confident | 75 Ų | 75 | 89.1 Ų | 89.1 | 33% | 0.326 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.4 | -43.7 | 170.8 | -65.3 | 179.9 | -159.4 | 158.9 | 0 | 112.5 | H847 E848 Q853 Q854 H855 | H847-K851 VanDerWaalsContact CE1-CE 3.45Å; H847-K851 WeakPolarHBondContact CE1-CE 3.24Å; H847-K851 PolarHBondContact O-N 2.77Å; E848-K851 WeakPolarHBondContact O-CB 3.35Å; E848-K851 PolarHBondContact O-N 3.47Å; E848-K851 WeakPolarHBondContact OE2-CE 3.5Å; E848-K851 IonicContact OE2-NZ 3.34Å; E848-K851 PolarHBondContact OE2-NZ 3.46Å; K851-Q853 VanDerWaalsContact C-N 3.26Å; K851-Q853 PolarHBondContact O-N 3.41Å; K851-Q854 PolarHBondContact O-N 3.25Å; K851-H855 PolarHBondContact O-CD2 2.87Å; K851-H855 PolarHBondContact O-N 2.85Å |
| 852 | Q | 86.6 | Confident | 86.9 | Confident | 107 Ų | 107 | 87.8 Ų | 87.8 | 50% | 0.5 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.9 | -32.8 | 178.3 | -60.1 | -55.9 | -37.8 | 0 | 0 | 111.3 | E848 L849 D850 G856 | E848-Q852 WeakPolarHBondContact O-CG 3.37Å; E848-Q852 PolarHBondContact O-N 2.85Å; E848-Q852 PolarHBondContact OE1-NE2 3.4Å; L849-Q852 PolarHBondContact O-N 3.21Å; D850-Q852 VanDerWaalsContact C-N 3.32Å; D850-Q852 PolarHBondContact O-N 3.21Å; Q852-G856 PolarHBondContact O-N 2.9Å |
| 853 | Q | 86 | Confident | 87 | Confident | 111 Ų | 111 | 90.1 Ų | 90.1 | 52% | 0.519 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.2 | -41.2 | 171.7 | -69.8 | -176.7 | 28.4 | 0 | 0 | 112.6 | L849 D850 K851 G856 S857 | L849-Q853 WeakPolarHBondContact O-CG 3.37Å; L849-Q853 PolarHBondContact O-N 3.5Å; D850-Q853 WeakPolarHBondContact O-CB 3.17Å; D850-Q853 PolarHBondContact O-N 3.36Å; D850-Q853 VanDerWaalsContact O-N 3.09Å; K851-Q853 VanDerWaalsContact C-N 3.26Å; K851-Q853 PolarHBondContact O-N 3.41Å; Q853-G856 CarbonylContact O-C 3.55Å; Q853-G856 WeakPolarHBondContact O-CA 3.39Å; Q853-G856 PolarHBondContact O-N 3.35Å; Q853-G856 VanDerWaalsContact O-N 3.17Å; Q853-S857 PolarHBondContact O-N 3.04Å |
| 854 | Q | 85.2 | Confident | 87 | Confident | 109 Ų | 109 | 92.7 Ų | 92.7 | 51% | 0.509 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 175.1 | -67.4 | 175.3 | 24.5 | 0 | 0 | 112.3 | D850 K851 G856 S857 A858 | D850-Q854 WeakPolarHBondContact O-CG 3.5Å; D850-Q854 PolarHBondContact O-N 3.13Å; D850-Q854 PolarHBondContact OD2-NE2 2.89Å; K851-Q854 PolarHBondContact O-N 3.25Å; Q854-G856 VanDerWaalsContact C-N 3.3Å; Q854-G856 PolarHBondContact O-N 2.8Å; Q854-S857 PolarHBondContact O-N 3.35Å; Q854-S857 PolarHBondContact O-OG 2.97Å; Q854-A858 WeakPolarHBondContact O-CB 3.2Å; Q854-A858 PolarHBondContact O-N 3.08Å |
| 855 | H | 87.1 | Confident | 86.9 | Confident | 114 Ų | 114 | 92.3 Ų | 92.3 | 53% | 0.528 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 170 | -70.7 | -48.4 | 0 | 0 | 0 | 111.3 | K851 A858 L859 | K851-H855 PolarHBondContact O-CD2 2.87Å; K851-H855 PolarHBondContact O-N 2.85Å; H855-A858 PolarHBondContact O-N 2.71Å; H855-L859 WeakPolarHBondContact O-CB 3.36Å; H855-L859 WeakPolarHBondContact O-CG 3.46Å; H855-L859 PolarHBondContact O-N 3.11Å |
| 856 | G | 86 | Confident | 86.7 | Confident | 22 Ų | 22 | 91.1 Ų | 91.1 | 23% | 0.227 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -66.6 | -33.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q852 Q853 Q854 R860 | Q852-G856 PolarHBondContact O-N 2.9Å; Q853-G856 CarbonylContact O-C 3.55Å; Q853-G856 WeakPolarHBondContact O-CA 3.39Å; Q853-G856 PolarHBondContact O-N 3.35Å; Q853-G856 VanDerWaalsContact O-N 3.17Å; Q854-G856 VanDerWaalsContact C-N 3.3Å; Q854-G856 PolarHBondContact O-N 2.8Å; G856-R860 VanDerWaalsContact C-NH2 3.34Å; G856-R860 WeakPolarHBondContact O-CG 3.42Å; G856-R860 PolarHBondContact O-N 2.87Å; G856-R860 PolarHBondContact O-NE 3.16Å; G856-R860 PolarHBondContact O-NH2 3.27Å |
| 857 | S | 84.6 | Confident | 86.8 | Confident | 42 Ų | 42 | 92.3 Ų | 92.3 | 29% | 0.294 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -71.6 | -47 | 172 | 59.4 | 0 | 0 | 0 | 0 | 111 | Q853 Q854 L859 R860 E861 | Q853-S857 PolarHBondContact O-N 3.04Å; Q854-S857 PolarHBondContact O-N 3.35Å; Q854-S857 PolarHBondContact O-OG 2.97Å; S857-L859 VanDerWaalsContact C-N 3.28Å; S857-L859 PolarHBondContact O-N 3.37Å; S857-R860 CarbonylContact O-C 3.6Å; S857-R860 WeakPolarHBondContact O-CA 3.42Å; S857-R860 WeakPolarHBondContact O-CB 3.48Å; S857-R860 PolarHBondContact O-N 3.22Å; S857-E861 WeakPolarHBondContact O-CG 3.47Å; S857-E861 PolarHBondContact O-N 2.72Å |
| 858 | A | 87.4 | Confident | 86.7 | Confident | 38 Ų | 38 | 92.8 Ų | 92.8 | 31% | 0.314 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -57.8 | -38.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q854 H855 Q862 | Q854-A858 WeakPolarHBondContact O-CB 3.2Å; Q854-A858 PolarHBondContact O-N 3.08Å; H855-A858 PolarHBondContact O-N 2.71Å; A858-Q862 WeakPolarHBondContact O-CB 3.17Å; A858-Q862 VanDerWaalsContact O-CG 3.27Å; A858-Q862 WeakPolarHBondContact O-CG 3.29Å; A858-Q862 PolarHBondContact O-N 2.73Å |
| 859 | L | 87.2 | Confident | 86.6 | Confident | 102 Ų | 102 | 94.3 Ų | 94.3 | 53% | 0.534 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.3 | -34.9 | 173.1 | -84.4 | 161.6 | 0 | 0 | 0 | 113.1 | H855 S857 L863 | H855-L859 WeakPolarHBondContact O-CB 3.36Å; H855-L859 WeakPolarHBondContact O-CG 3.46Å; H855-L859 PolarHBondContact O-N 3.11Å; S857-L859 VanDerWaalsContact C-N 3.28Å; S857-L859 PolarHBondContact O-N 3.37Å; L859-L863 WeakPolarHBondContact O-CB 3.44Å; L859-L863 VanDerWaalsContact O-CG 3.28Å; L859-L863 WeakPolarHBondContact O-CG 3.29Å; L859-L863 PolarHBondContact O-N 2.81Å |
| 860 | R | 86.7 | Confident | 86.4 | Confident | 140 Ų | 140 | 95.5 Ų | 95.5 | 53% | 0.528 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.2 | -44.6 | 174 | -80.1 | 171.4 | -71.4 | -163.2 | 2.7 | 111.6 | G856 S857 Q862 L863 E864 | G856-R860 VanDerWaalsContact C-NH2 3.34Å; G856-R860 WeakPolarHBondContact O-CG 3.42Å; G856-R860 PolarHBondContact O-N 2.87Å; G856-R860 PolarHBondContact O-NE 3.16Å; G856-R860 PolarHBondContact O-NH2 3.27Å; S857-R860 CarbonylContact O-C 3.6Å; S857-R860 WeakPolarHBondContact O-CA 3.42Å; S857-R860 WeakPolarHBondContact O-CB 3.48Å; S857-R860 PolarHBondContact O-N 3.22Å; R860-Q862 VanDerWaalsContact C-N 3.3Å; R860-Q862 PolarHBondContact O-N 2.83Å; R860-L863 CarbonylContact O-C 3.57Å; R860-L863 PolarHBondContact O-N 3.24Å; R860-L863 VanDerWaalsContact O-N 3.1Å; R860-E864 WeakPolarHBondContact O-CB 3.45Å; R860-E864 WeakPolarHBondContact O-CG 3.43Å; R860-E864 PolarHBondContact O-N 3.37Å |
| 861 | E | 88.1 | Confident | 86.5 | Confident | 123 Ų | 123 | 96 Ų | 96 | 58% | 0.575 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -58.2 | -41.4 | 174.9 | -70.1 | 160.8 | -150.2 | 0 | 0 | 111.5 | S857 E864 A865 | S857-E861 WeakPolarHBondContact O-CG 3.47Å; S857-E861 PolarHBondContact O-N 2.72Å; E861-E864 PolarHBondContact O-N 3.05Å; E861-A865 WeakPolarHBondContact O-CB 3.25Å; E861-A865 PolarHBondContact O-N 3.19Å |
| 862 | Q | 86.6 | Confident | 86.3 | Confident | 120 Ų | 120 | 95.8 Ų | 95.8 | 56% | 0.561 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.1 | -42.2 | 173 | -74.3 | 173.5 | 8.6 | 0 | 0 | 112.9 | A858 R860 L866 | A858-Q862 WeakPolarHBondContact O-CB 3.17Å; A858-Q862 VanDerWaalsContact O-CG 3.27Å; A858-Q862 WeakPolarHBondContact O-CG 3.29Å; A858-Q862 PolarHBondContact O-N 2.73Å; R860-Q862 VanDerWaalsContact C-N 3.3Å; R860-Q862 PolarHBondContact O-N 2.83Å; Q862-L866 WeakPolarHBondContact O-CB 3.49Å; Q862-L866 VanDerWaalsContact O-CG 3.3Å; Q862-L866 WeakPolarHBondContact O-CG 3.38Å; Q862-L866 PolarHBondContact O-N 3.01Å |
| 863 | L | 85.9 | Confident | 86.3 | Confident | 106 Ų | 106 | 94.8 Ų | 94.8 | 56% | 0.555 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.4 | -37 | 176.1 | -75.4 | 169.4 | 0 | 0 | 0 | 112.4 | L859 R860 T867 | L859-L863 WeakPolarHBondContact O-CB 3.44Å; L859-L863 VanDerWaalsContact O-CG 3.28Å; L859-L863 WeakPolarHBondContact O-CG 3.29Å; L859-L863 PolarHBondContact O-N 2.81Å; R860-L863 CarbonylContact O-C 3.57Å; R860-L863 PolarHBondContact O-N 3.24Å; R860-L863 VanDerWaalsContact O-N 3.1Å; L863-T867 VanDerWaalsContact O-CB 3.24Å; L863-T867 WeakPolarHBondContact O-CB 3.35Å; L863-T867 PolarHBondContact O-N 2.86Å; L863-T867 PolarHBondContact O-OG1 2.94Å |
| 864 | E | 87 | Confident | 86.1 | Confident | 116 Ų | 116 | 94.9 Ų | 94.9 | 54% | 0.542 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.2 | -44.6 | 175.2 | -75.3 | 175.1 | -154.8 | 0 | 0 | 110.9 | R860 E861 T867 Q868 | R860-E864 WeakPolarHBondContact O-CB 3.45Å; R860-E864 WeakPolarHBondContact O-CG 3.43Å; R860-E864 PolarHBondContact O-N 3.37Å; E861-E864 PolarHBondContact O-N 3.05Å; E864-T867 PolarHBondContact O-N 3.18Å; E864-Q868 VanDerWaalsContact O-CG 3.32Å; E864-Q868 WeakPolarHBondContact O-CG 3.43Å; E864-Q868 PolarHBondContact O-N 3.37Å |
| 865 | A | 87.1 | Confident | 86.2 | Confident | 53 Ų | 53 | 98.1 Ų | 98.1 | 44% | 0.438 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.9 | -48.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | E861 T867 Q868 E869 | E861-A865 WeakPolarHBondContact O-CB 3.25Å; E861-A865 PolarHBondContact O-N 3.19Å; A865-T867 VanDerWaalsContact C-N 3.26Å; A865-T867 PolarHBondContact O-N 3.42Å; A865-Q868 PolarHBondContact O-N 2.97Å; A865-E869 WeakPolarHBondContact O-CB 3.42Å; A865-E869 PolarHBondContact O-N 3.33Å |
| 866 | L | 86.4 | Confident | 86.1 | Confident | 103 Ų | 103 | 97.3 Ų | 97.3 | 54% | 0.539 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.2 | -29.8 | 175.9 | -72.5 | 169.1 | 0 | 0 | 0 | 112.7 | Q862 K870 | Q862-L866 WeakPolarHBondContact O-CB 3.49Å; Q862-L866 VanDerWaalsContact O-CG 3.3Å; Q862-L866 WeakPolarHBondContact O-CG 3.38Å; Q862-L866 PolarHBondContact O-N 3.01Å; L866-K870 WeakPolarHBondContact O-CB 3.49Å; L866-K870 PolarHBondContact O-N 3.38Å |
| 867 | T | 86 | Confident | 85.9 | Confident | 83 Ų | 83 | 102.3 Ų | 102.3 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -73.9 | -38.6 | 174.8 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | L863 E864 A865 K870 V871 | L863-T867 VanDerWaalsContact O-CB 3.24Å; L863-T867 WeakPolarHBondContact O-CB 3.35Å; L863-T867 PolarHBondContact O-N 2.86Å; L863-T867 PolarHBondContact O-OG1 2.94Å; E864-T867 PolarHBondContact O-N 3.18Å; A865-T867 VanDerWaalsContact C-N 3.26Å; A865-T867 PolarHBondContact O-N 3.42Å; T867-K870 PolarHBondContact O-N 3.1Å; T867-V871 VanDerWaalsContact O-CG2 3.3Å; T867-V871 WeakPolarHBondContact O-CG2 3.45Å; T867-V871 PolarHBondContact O-N 2.9Å |
| 868 | Q | 85.5 | Confident | 85.9 | Confident | 130 Ų | 130 | 103.3 Ų | 103.3 | 61% | 0.607 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.1 | -47.4 | 173.1 | -70.9 | 171.9 | 28.3 | 0 | 0 | 111.2 | E864 A865 K870 V871 T872 | E864-Q868 VanDerWaalsContact O-CG 3.32Å; E864-Q868 WeakPolarHBondContact O-CG 3.43Å; E864-Q868 PolarHBondContact O-N 3.37Å; A865-Q868 PolarHBondContact O-N 2.97Å; Q868-K870 VanDerWaalsContact C-N 3.33Å; Q868-K870 PolarHBondContact O-N 3.49Å; Q868-V871 CarbonylContact O-C 3.59Å; Q868-V871 WeakPolarHBondContact O-CA 3.34Å; Q868-V871 PolarHBondContact O-N 3.36Å; Q868-T872 PolarHBondContact O-N 3.49Å; Q868-T872 PolarHBondContact O-OG1 3.07Å |
| 869 | E | 85.8 | Confident | 85.8 | Confident | 108 Ų | 108 | 106.9 Ų | 106.9 | 51% | 0.505 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.7 | -42.8 | 175 | -175.4 | -177.5 | -175.6 | 0 | 0 | 111.6 | A865 V871 T872 L873 | A865-E869 WeakPolarHBondContact O-CB 3.42Å; A865-E869 PolarHBondContact O-N 3.33Å; E869-V871 VanDerWaalsContact C-N 3.31Å; E869-V871 PolarHBondContact O-N 3.35Å; E869-T872 WeakPolarHBondContact CA-OG1 3.37Å; E869-T872 PolarHBondContact O-N 3.13Å; E869-T872 PolarHBondContact O-OG1 2.99Å; E869-L873 HydrophobicContact CG-CD1 4.05Å; E869-L873 WeakPolarHBondContact O-CB 3.39Å; E869-L873 VanDerWaalsContact O-CG 3.27Å; E869-L873 WeakPolarHBondContact O-CG 3.14Å; E869-L873 PolarHBondContact O-N 3.14Å |
| 870 | K | 83 | Confident | 85.6 | Confident | 129 Ų | 129 | 107.6 Ų | 107.6 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61 | -38.9 | 173 | 179.6 | -177.7 | 173.8 | -172.9 | 0 | 112.2 | L866 T867 Q868 Q874 | L866-K870 WeakPolarHBondContact O-CB 3.49Å; L866-K870 PolarHBondContact O-N 3.38Å; T867-K870 PolarHBondContact O-N 3.1Å; Q868-K870 VanDerWaalsContact C-N 3.33Å; Q868-K870 PolarHBondContact O-N 3.49Å; K870-Q874 VanDerWaalsContact O-CB 3.29Å; K870-Q874 WeakPolarHBondContact O-CB 3.25Å; K870-Q874 WeakPolarHBondContact O-CG 3.32Å; K870-Q874 PolarHBondContact O-N 2.83Å |
| 871 | V | 88.6 | Confident | 85.5 | Confident | 85 Ų | 85 | 106.7 Ų | 106.7 | 52% | 0.515 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71.2 | -39.6 | 178.3 | 167.1 | 0 | 0 | 0 | 0 | 111.6 | T867 Q868 E869 Q874 W875 | T867-V871 VanDerWaalsContact O-CG2 3.3Å; T867-V871 WeakPolarHBondContact O-CG2 3.45Å; T867-V871 PolarHBondContact O-N 2.9Å; Q868-V871 CarbonylContact O-C 3.59Å; Q868-V871 WeakPolarHBondContact O-CA 3.34Å; Q868-V871 PolarHBondContact O-N 3.36Å; E869-V871 VanDerWaalsContact C-N 3.31Å; E869-V871 PolarHBondContact O-N 3.35Å; V871-Q874 PolarHBondContact O-N 3.29Å; V871-W875 PolarHBondContact O-N 3.42Å |
| 872 | T | 85.2 | Confident | 85.2 | Confident | 71 Ų | 71 | 105.9 Ų | 105.9 | 44% | 0.436 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.5 | -44.3 | 174.7 | 54.6 | 0 | 0 | 0 | 0 | 111.3 | Q868 E869 Q874 W875 E876 | Q868-T872 PolarHBondContact O-N 3.49Å; Q868-T872 PolarHBondContact O-OG1 3.07Å; E869-T872 WeakPolarHBondContact CA-OG1 3.37Å; E869-T872 PolarHBondContact O-N 3.13Å; E869-T872 PolarHBondContact O-OG1 2.99Å; T872-Q874 VanDerWaalsContact C-N 3.31Å; T872-Q874 PolarHBondContact O-N 3.18Å; T872-W875 WeakPolarHBondContact O-CB 3.28Å; T872-W875 PolarHBondContact O-N 3.06Å; T872-W875 VanDerWaalsContact O-N 3.12Å; T872-E876 WeakPolarHBondContact O-CG 3.45Å; T872-E876 PolarHBondContact O-N 3.3Å |
| 873 | L | 86.3 | Confident | 85.2 | Confident | 86 Ų | 86 | 103.5 Ų | 103.5 | 45% | 0.45 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.8 | -36 | 174 | -70.3 | 170.7 | 0 | 0 | 0 | 112.4 | E869 M877 | E869-L873 HydrophobicContact CG-CD1 4.05Å; E869-L873 WeakPolarHBondContact O-CB 3.39Å; E869-L873 VanDerWaalsContact O-CG 3.27Å; E869-L873 WeakPolarHBondContact O-CG 3.14Å; E869-L873 PolarHBondContact O-N 3.14Å; L873-M877 WeakPolarHBondContact O-CB 3.26Å; L873-M877 WeakPolarHBondContact O-CG 3.49Å; L873-M877 PolarHBondContact O-N 2.87Å |
| 874 | Q | 82.6 | Confident | 85 | Confident | 113 Ų | 113 | 103.4 Ų | 103.4 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.2 | -37.8 | 172.9 | -80.5 | -178.5 | -32 | 0 | 0 | 112.2 | K870 V871 T872 E878 | K870-Q874 VanDerWaalsContact O-CB 3.29Å; K870-Q874 WeakPolarHBondContact O-CB 3.25Å; K870-Q874 WeakPolarHBondContact O-CG 3.32Å; K870-Q874 PolarHBondContact O-N 2.83Å; V871-Q874 PolarHBondContact O-N 3.29Å; T872-Q874 VanDerWaalsContact C-N 3.31Å; T872-Q874 PolarHBondContact O-N 3.18Å; Q874-E878 VanDerWaalsContact O-CB 3.26Å; Q874-E878 WeakPolarHBondContact O-CB 3.37Å; Q874-E878 PolarHBondContact O-N 2.93Å |
| 875 | W | 87.5 | Confident | 84.7 | Confident | 177 Ų | 177 | 103.1 Ų | 103.1 | 67% | 0.67 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.1 | -48.9 | 173.4 | -177.8 | -80.6 | 0 | 0 | 0 | 111.5 | V871 T872 M877 E878 E879 | V871-W875 PolarHBondContact O-N 3.42Å; T872-W875 WeakPolarHBondContact O-CB 3.28Å; T872-W875 PolarHBondContact O-N 3.06Å; T872-W875 VanDerWaalsContact O-N 3.12Å; W875-M877 VanDerWaalsContact C-N 3.33Å; W875-M877 PolarHBondContact O-N 3.32Å; W875-E878 WeakPolarHBondContact O-CB 3.25Å; W875-E878 PolarHBondContact O-N 2.97Å; W875-E878 VanDerWaalsContact O-N 3.13Å; W875-E879 PolarHBondContact NE1-OE2 2.8Å; W875-E879 WeakPolarHBondContact O-CB 3.44Å; W875-E879 PolarHBondContact O-N 3.32Å |
| 876 | E | 85.4 | Confident | 84.5 | Confident | 96 Ų | 96 | 106.4 Ų | 106.4 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.1 | -41.9 | 178.1 | -72 | 168.9 | -159.4 | 0 | 0 | 112.1 | T872 E879 Q880 | T872-E876 WeakPolarHBondContact O-CG 3.45Å; T872-E876 PolarHBondContact O-N 3.3Å; E876-E879 PolarHBondContact O-N 2.85Å; E876-Q880 WeakPolarHBondContact O-CB 3.12Å; E876-Q880 VanDerWaalsContact O-CG 3.24Å; E876-Q880 WeakPolarHBondContact O-CG 3.18Å; E876-Q880 PolarHBondContact O-N 3.35Å |
| 877 | M | 81.4 | Confident | 84.2 | Confident | 127 Ų | 127 | 106.4 Ų | 106.4 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.8 | -34.6 | 175.6 | -73.3 | -70.5 | -63.1 | 0 | 0 | 112.9 | L873 W875 R881 | L873-M877 WeakPolarHBondContact O-CB 3.26Å; L873-M877 WeakPolarHBondContact O-CG 3.49Å; L873-M877 PolarHBondContact O-N 2.87Å; W875-M877 VanDerWaalsContact C-N 3.33Å; W875-M877 PolarHBondContact O-N 3.32Å; M877-R881 WeakPolarHBondContact O-CB 3.47Å; M877-R881 PolarHBondContact O-N 3.28Å; M877-R881 VanDerWaalsContact O-N 3.1Å |
| 878 | E | 83.8 | Confident | 83.6 | Confident | 63 Ų | 63 | 108.2 Ų | 108.2 | 29% | 0.294 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.2 | -44.9 | 174.7 | 177.7 | 63.1 | -140.6 | 0 | 0 | 110.9 | Q874 W875 R881 Q882 | Q874-E878 VanDerWaalsContact O-CB 3.26Å; Q874-E878 WeakPolarHBondContact O-CB 3.37Å; Q874-E878 PolarHBondContact O-N 2.93Å; W875-E878 WeakPolarHBondContact O-CB 3.25Å; W875-E878 PolarHBondContact O-N 2.97Å; W875-E878 VanDerWaalsContact O-N 3.13Å; E878-R881 PolarHBondContact O-N 3.46Å; E878-R881 VanDerWaalsContact O-N 3.16Å; E878-R881 IonicContact OE1-CZ 3.52Å; E878-R881 IonicContact OE1-NH1 2.75Å; E878-R881 IonicContact OE1-NH2 3.19Å; E878-R881 PolarHBondContact OE1-NH2 3.44Å; E878-R881 IonicContact OE2-CZ 3.82Å; E878-R881 IonicContact OE2-NH1 2.56Å; E878-R881 PolarHBondContact OE2-NH1 3.31Å; E878-R881 IonicContact OE2-NH2 2.79Å; E878-R881 PolarHBondContact OE2-NH2 3.46Å; E878-Q882 WeakPolarHBondContact O-CG 3.25Å; E878-Q882 PolarHBondContact O-N 2.83Å; E878-Q882 PolarHBondContact OE1-NE2 3.39Å |
| 879 | E | 86.1 | Confident | 83.1 | Confident | 114 Ų | 114 | 104.7 Ų | 104.7 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -44.8 | 176.6 | -172 | 169.9 | 159.2 | 0 | 0 | 111.5 | W875 E876 R881 Q882 E883 | W875-E879 PolarHBondContact NE1-OE2 2.8Å; W875-E879 WeakPolarHBondContact O-CB 3.44Å; W875-E879 PolarHBondContact O-N 3.32Å; E876-E879 PolarHBondContact O-N 2.85Å; E879-R881 VanDerWaalsContact C-N 3.31Å; E879-R881 PolarHBondContact O-N 2.85Å; E879-Q882 PolarHBondContact O-N 3.38Å; E879-E883 WeakPolarHBondContact O-CB 3.49Å; E879-E883 PolarHBondContact O-N 2.92Å |
| 880 | Q | 83.6 | Confident | 82.6 | Confident | 116 Ų | 116 | 102.9 Ų | 102.9 | 54% | 0.542 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60 | -39.1 | 171.8 | -74.6 | 176.3 | 30.1 | 0 | 0 | 112.2 | E876 L884 | E876-Q880 WeakPolarHBondContact O-CB 3.12Å; E876-Q880 VanDerWaalsContact O-CG 3.24Å; E876-Q880 WeakPolarHBondContact O-CG 3.18Å; E876-Q880 PolarHBondContact O-N 3.35Å; Q880-L884 WeakPolarHBondContact O-CB 3.3Å; Q880-L884 VanDerWaalsContact O-CG 3.29Å; Q880-L884 WeakPolarHBondContact O-CG 3.45Å; Q880-L884 PolarHBondContact O-N 3.12Å |
| 881 | R | 83.5 | Confident | 81.9 | Confident | 122 Ų | 122 | 99.5 Ų | 99.5 | 46% | 0.46 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.4 | -40.3 | 176 | -162.2 | -172.5 | 74.4 | -118.3 | -7.2 | 111.6 | M877 E878 E879 L884 Q885 | M877-R881 WeakPolarHBondContact O-CB 3.47Å; M877-R881 PolarHBondContact O-N 3.28Å; M877-R881 VanDerWaalsContact O-N 3.1Å; E878-R881 PolarHBondContact O-N 3.46Å; E878-R881 VanDerWaalsContact O-N 3.16Å; E878-R881 IonicContact OE1-CZ 3.52Å; E878-R881 IonicContact OE1-NH1 2.75Å; E878-R881 IonicContact OE1-NH2 3.19Å; E878-R881 PolarHBondContact OE1-NH2 3.44Å; E878-R881 IonicContact OE2-CZ 3.82Å; E878-R881 IonicContact OE2-NH1 2.56Å; E878-R881 PolarHBondContact OE2-NH1 3.31Å; E878-R881 IonicContact OE2-NH2 2.79Å; E878-R881 PolarHBondContact OE2-NH2 3.46Å; E879-R881 VanDerWaalsContact C-N 3.31Å; E879-R881 PolarHBondContact O-N 2.85Å; R881-L884 PolarHBondContact O-N 2.89Å; R881-Q885 WeakPolarHBondContact O-CB 3.24Å; R881-Q885 WeakPolarHBondContact O-CG 3.34Å; R881-Q885 PolarHBondContact O-N 2.99Å |
| 882 | Q | 82.9 | Confident | 80.6 | Confident | 106 Ų | 106 | 102.3 Ų | 102.3 | 50% | 0.495 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.7 | -41.3 | 177.2 | -71.2 | 179 | 25.5 | 0 | 0 | 111.6 | E878 E879 Q885 R886 | E878-Q882 WeakPolarHBondContact O-CG 3.25Å; E878-Q882 PolarHBondContact O-N 2.83Å; E878-Q882 PolarHBondContact OE1-NE2 3.39Å; E879-Q882 PolarHBondContact O-N 3.38Å; Q882-Q885 PolarHBondContact O-N 2.92Å; Q882-R886 WeakPolarHBondContact O-CB 3.47Å; Q882-R886 PolarHBondContact O-N 2.94Å |
| 883 | E | 85.4 | Confident | 79.5 | Confident | 69 Ų | 69 | 105.8 Ų | 105.8 | 32% | 0.322 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 175 | 177.6 | 54.9 | -157.7 | 0 | 0 | 111.9 | E879 Q885 R886 Q887 | E879-E883 WeakPolarHBondContact O-CB 3.49Å; E879-E883 PolarHBondContact O-N 2.92Å; E883-Q885 VanDerWaalsContact C-N 3.34Å; E883-Q885 PolarHBondContact O-N 3.5Å; E883-R886 WeakPolarHBondContact O-CB 3.25Å; E883-R886 PolarHBondContact O-N 3Å; E883-R886 IonicContact OE1-CZ 2.66Å; E883-R886 IonicContact OE1-NE 2.65Å; E883-R886 IonicContact OE1-NH2 3.32Å; E883-R886 PolarHBondContact OE1-NH2 3.42Å; E883-R886 IonicContact OE2-CZ 3.15Å; E883-R886 IonicContact OE2-NE 3.66Å; E883-R886 PolarHBondContact OE2-NE 2.86Å; E883-R886 IonicContact OE2-NH2 2.74Å; E883-R886 PolarHBondContact OE2-NH2 3.3Å; E883-R886 VanDerWaalsContact OE2-NH2 3.15Å; E883-Q887 WeakPolarHBondContact O-CG 3.44Å; E883-Q887 PolarHBondContact O-N 2.92Å; E883-Q887 WeakPolarHBondContact OE1-CG 3.45Å; E883-Q887 PolarHBondContact OE1-NE2 2.89Å |
| 884 | L | 81.4 | Confident | 78.1 | Confident | 104 Ų | 104 | 108.7 Ų | 108.7 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62 | -39.6 | 172.4 | -74.4 | 169.4 | 0 | 0 | 0 | 112.2 | Q880 R881 Q887 L888 | Q880-L884 WeakPolarHBondContact O-CB 3.3Å; Q880-L884 VanDerWaalsContact O-CG 3.29Å; Q880-L884 WeakPolarHBondContact O-CG 3.45Å; Q880-L884 PolarHBondContact O-N 3.12Å; R881-L884 PolarHBondContact O-N 2.89Å; L884-Q887 PolarHBondContact O-N 3.44Å; L884-L888 WeakPolarHBondContact O-CB 3.44Å; L884-L888 VanDerWaalsContact O-CG 3.3Å; L884-L888 WeakPolarHBondContact O-CG 3.41Å; L884-L888 PolarHBondContact O-N 3.43Å |
| 885 | Q | 80.6 | Confident | 76.9 | Confident | 111 Ų | 111 | 107.5 Ų | 107.5 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.3 | -38.2 | 173.3 | -76.3 | 179 | -35.5 | 0 | 0 | 112.1 | R881 Q882 E883 L888 A889 | R881-Q885 WeakPolarHBondContact O-CB 3.24Å; R881-Q885 WeakPolarHBondContact O-CG 3.34Å; R881-Q885 PolarHBondContact O-N 2.99Å; Q882-Q885 PolarHBondContact O-N 2.92Å; E883-Q885 VanDerWaalsContact C-N 3.34Å; E883-Q885 PolarHBondContact O-N 3.5Å; Q885-L888 PolarHBondContact O-N 2.93Å; Q885-A889 WeakPolarHBondContact O-CB 3.19Å; Q885-A889 PolarHBondContact O-N 3.33Å |
| 886 | R | 83 | Confident | 75.1 | Confident | 122 Ų | 122 | 100.8 Ų | 100.8 | 46% | 0.46 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 175.9 | -161.8 | -175.8 | 70.6 | 70.3 | 14.8 | 111.6 | Q882 E883 A889 E890 | Q882-R886 WeakPolarHBondContact O-CB 3.47Å; Q882-R886 PolarHBondContact O-N 2.94Å; E883-R886 WeakPolarHBondContact O-CB 3.25Å; E883-R886 PolarHBondContact O-N 3Å; E883-R886 IonicContact OE1-CZ 2.66Å; E883-R886 IonicContact OE1-NE 2.65Å; E883-R886 IonicContact OE1-NH2 3.32Å; E883-R886 PolarHBondContact OE1-NH2 3.42Å; E883-R886 IonicContact OE2-CZ 3.15Å; E883-R886 IonicContact OE2-NE 3.66Å; E883-R886 PolarHBondContact OE2-NE 2.86Å; E883-R886 IonicContact OE2-NH2 2.74Å; E883-R886 PolarHBondContact OE2-NH2 3.3Å; E883-R886 VanDerWaalsContact OE2-NH2 3.15Å; R886-A889 PolarHBondContact O-N 2.97Å; R886-E890 IonicContact CZ-OE1 3.89Å; R886-E890 IonicContact NH1-OE1 3.77Å; R886-E890 PolarHBondContact NH1-OE1 3.19Å; R886-E890 IonicContact NH2-OE1 2.67Å; R886-E890 PolarHBondContact O-N 3.14Å |
| 887 | Q | 80.3 | Confident | 73.7 | Confident | 102 Ų | 102 | 101.1 Ų | 101.1 | 48% | 0.477 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 175.5 | -70.2 | 176.3 | 17.2 | 0 | 0 | 112.3 | E883 L884 A891 | E883-Q887 WeakPolarHBondContact O-CG 3.44Å; E883-Q887 PolarHBondContact O-N 2.92Å; E883-Q887 WeakPolarHBondContact OE1-CG 3.45Å; E883-Q887 PolarHBondContact OE1-NE2 2.89Å; L884-Q887 PolarHBondContact O-N 3.44Å; Q887-A891 WeakPolarHBondContact O-CB 3.49Å; Q887-A891 PolarHBondContact O-N 3.1Å |
| 888 | L | 74.2 | Confident | 72.5 | Confident | 122 Ų | 122 | 101.2 Ų | 101.2 | 64% | 0.639 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.3 | -42.9 | 173.3 | -75.3 | 168.2 | 0 | 0 | 0 | 111.9 | L884 Q885 A891 Q892 | L884-L888 WeakPolarHBondContact O-CB 3.44Å; L884-L888 VanDerWaalsContact O-CG 3.3Å; L884-L888 WeakPolarHBondContact O-CG 3.41Å; L884-L888 PolarHBondContact O-N 3.43Å; Q885-L888 PolarHBondContact O-N 2.93Å; L888-A891 PolarHBondContact O-N 3.41Å; L888-Q892 WeakPolarHBondContact O-CB 3.25Å; L888-Q892 PolarHBondContact O-N 3.44Å |
| 889 | A | 73.7 | Confident | 71.5 | Confident | 56 Ų | 56 | 101.1 Ų | 101.1 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.7 | -47.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q885 R886 A891 Q892 E893 | Q885-A889 WeakPolarHBondContact O-CB 3.19Å; Q885-A889 PolarHBondContact O-N 3.33Å; R886-A889 PolarHBondContact O-N 2.97Å; A889-A891 VanDerWaalsContact C-N 3.32Å; A889-A891 PolarHBondContact O-N 3.28Å; A889-Q892 PolarHBondContact O-N 3.04Å; A889-E893 WeakPolarHBondContact O-CB 3.25Å; A889-E893 PolarHBondContact O-N 3.19Å |
| 890 | E | 75.5 | Confident | 70.5 | Confident | 69 Ų | 69 | 101.4 Ų | 101.4 | 32% | 0.322 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.9 | -42 | 174.4 | -85.2 | -164.1 | -136.5 | 0 | 0 | 112.2 | R886 K894 | R886-E890 IonicContact CZ-OE1 3.89Å; R886-E890 IonicContact NH1-OE1 3.77Å; R886-E890 PolarHBondContact NH1-OE1 3.19Å; R886-E890 IonicContact NH2-OE1 2.67Å; R886-E890 PolarHBondContact O-N 3.14Å; E890-K894 VanDerWaalsContact O-CB 3.3Å; E890-K894 WeakPolarHBondContact O-CB 3.28Å; E890-K894 WeakPolarHBondContact O-CD 3.01Å; E890-K894 WeakPolarHBondContact O-CG 3.45Å; E890-K894 PolarHBondContact O-N 2.68Å; E890-K894 WeakPolarHBondContact OE2-CE 3.15Å; E890-K894 IonicContact OE2-NZ 3.42Å; E890-K894 PolarHBondContact OE2-NZ 3.17Å |
| 891 | A | 67.9 | Low | 69.8 | Low | 58 Ų | 58 | 101.6 Ų | 101.6 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q887 L888 A889 K894 S895 | Q887-A891 WeakPolarHBondContact O-CB 3.49Å; Q887-A891 PolarHBondContact O-N 3.1Å; L888-A891 PolarHBondContact O-N 3.41Å; A889-A891 VanDerWaalsContact C-N 3.32Å; A889-A891 PolarHBondContact O-N 3.28Å; A891-K894 PolarHBondContact O-N 2.94Å; A891-S895 WeakPolarHBondContact O-CB 3.48Å; A891-S895 PolarHBondContact O-N 2.93Å; A891-S895 PolarHBondContact O-OG 3.29Å |
| 892 | Q | 62 | Low | 69.2 | Low | 144 Ų | 144 | 99.6 Ų | 99.6 | 67% | 0.673 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.7 | -34.7 | -179.1 | -171.8 | 173 | 2.7 | 0 | 0 | 113 | L888 A889 S895 S896 | L888-Q892 WeakPolarHBondContact O-CB 3.25Å; L888-Q892 PolarHBondContact O-N 3.44Å; A889-Q892 PolarHBondContact O-N 3.04Å; Q892-S895 PolarHBondContact O-OG 3.01Å; Q892-S896 PolarHBondContact O-N 3.29Å |
| 893 | E | 61.3 | Low | 69 | Low | 144 Ų | 144 | 103.2 Ų | 103.2 | 67% | 0.673 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69.3 | -46.7 | 173.6 | -173 | 174.9 | -140.6 | 0 | 0 | 111.1 | A889 S895 S896 | A889-E893 WeakPolarHBondContact O-CB 3.25Å; A889-E893 PolarHBondContact O-N 3.19Å; E893-S895 VanDerWaalsContact C-N 3.29Å; E893-S895 PolarHBondContact O-N 3.44Å; E893-S896 VanDerWaalsContact O-CB 3.23Å; E893-S896 WeakPolarHBondContact O-CB 3.16Å; E893-S896 PolarHBondContact O-N 3.22Å; E893-S896 VanDerWaalsContact O-N 3.11Å; E893-S896 PolarHBondContact O-OG 3.5Å |
| 894 | K | 58.5 | Low | 68.6 | Low | 147 Ų | 147 | 108.1 Ų | 108.1 | 64% | 0.639 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67 | -26 | 177.7 | -69.1 | 168.1 | -168.6 | 173 | 0 | 113.3 | E890 A891 | E890-K894 VanDerWaalsContact O-CB 3.3Å; E890-K894 WeakPolarHBondContact O-CB 3.28Å; E890-K894 WeakPolarHBondContact O-CD 3.01Å; E890-K894 WeakPolarHBondContact O-CG 3.45Å; E890-K894 PolarHBondContact O-N 2.68Å; E890-K894 WeakPolarHBondContact OE2-CE 3.15Å; E890-K894 IonicContact OE2-NZ 3.42Å; E890-K894 PolarHBondContact OE2-NZ 3.17Å; A891-K894 PolarHBondContact O-N 2.94Å |
| 895 | S | 55.9 | Low | 68.6 | Low | 89 Ų | 89 | 109.3 Ų | 109.3 | 62% | 0.622 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 13.1 | 173.4 | 79.4 | 0 | 0 | 0 | 0 | 113.7 | A891 Q892 E893 | A891-S895 WeakPolarHBondContact O-CB 3.48Å; A891-S895 PolarHBondContact O-N 2.93Å; A891-S895 PolarHBondContact O-OG 3.29Å; Q892-S895 PolarHBondContact O-OG 3.01Å; E893-S895 VanDerWaalsContact C-N 3.29Å; E893-S895 PolarHBondContact O-N 3.44Å |
| 896 | S | 49.8 | Very low | 68.7 | Low | 36 Ų | 36 | 109.5 Ų | 109.5 | 25% | 0.252 | 54% | 0.535 | S | S | . | . | trans | -76 | 126.2 | -174.5 | 67.5 | 0 | 0 | 0 | 0 | 112.2 | Q892 E893 H898 S899 | Q892-S896 PolarHBondContact O-N 3.29Å; E893-S896 VanDerWaalsContact O-CB 3.23Å; E893-S896 WeakPolarHBondContact O-CB 3.16Å; E893-S896 PolarHBondContact O-N 3.22Å; E893-S896 VanDerWaalsContact O-N 3.11Å; E893-S896 PolarHBondContact O-OG 3.5Å; S896-H898 PolarHBondContact O-N 3.35Å; S896-S899 PolarHBondContact O-N 2.96Å; S896-S899 PolarHBondContact O-OG 3.33Å | ||
| 897 | P | 57.4 | Low | 68.7 | Low | 103 Ų | 103 | 109.1 Ų | 109.1 | 67% | 0.669 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.5 | -10.6 | 179.8 | 28.3 | -35.7 | 0 | 0 | 0 | 113 | M901 | P897-M901 WeakPolarHBondContact O-CB 3.2Å; P897-M901 PolarHBondContact O-N 2.87Å |
| 898 | H | 56.8 | Low | 68.8 | Low | 128 Ų | 128 | 111.8 Ų | 111.8 | 59% | 0.593 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.2 | -42.2 | 174.8 | -160.8 | 64.8 | 0 | 0 | 0 | 111.6 | S896 E900 M901 E902 | S896-H898 PolarHBondContact O-N 3.35Å; H898-E900 PolarHBondContact O-N 3.42Å; H898-M901 PolarHBondContact O-N 3.36Å; H898-E902 PolarHBondContact O-N 2.79Å |
| 899 | S | 62.4 | Low | 69.4 | Low | 62 Ų | 62 | 110.7 Ų | 110.7 | 43% | 0.434 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.1 | -38.3 | -179.8 | 67.3 | 0 | 0 | 0 | 0 | 113.1 | S896 R903 | S896-S899 PolarHBondContact O-N 2.96Å; S896-S899 PolarHBondContact O-OG 3.33Å; S899-R903 PolarHBondContact O-N 2.91Å |
| 900 | E | 65 | Low | 70 | Confident | 120 Ų | 120 | 113.5 Ų | 113.5 | 56% | 0.561 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -73.3 | -41.4 | 173.6 | -61.6 | -159.6 | 132.1 | 0 | 0 | 111.8 | H898 E902 R903 W904 | H898-E900 PolarHBondContact O-N 3.42Å; E900-E902 VanDerWaalsContact C-N 3.29Å; E900-E902 PolarHBondContact O-N 2.8Å; E900-R903 WeakPolarHBondContact O-CB 3.34Å; E900-R903 PolarHBondContact O-N 3.04Å; E900-R903 VanDerWaalsContact O-N 3.1Å; E900-W904 PolarHBondContact O-N 3.43Å |
| 901 | M | 69.1 | Low | 70.5 | Confident | 120 Ų | 120 | 115.3 Ų | 115.3 | 59% | 0.591 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.7 | -35.7 | 178.4 | -166.1 | 177.2 | -165.9 | 0 | 0 | 112.1 | P897 H898 R905 | P897-M901 WeakPolarHBondContact O-CB 3.2Å; P897-M901 PolarHBondContact O-N 2.87Å; H898-M901 PolarHBondContact O-N 3.36Å; M901-R905 VanDerWaalsContact O-CB 3.28Å; M901-R905 WeakPolarHBondContact O-CB 3.39Å; M901-R905 PolarHBondContact O-N 2.9Å |
| 902 | E | 70.8 | Confident | 71 | Confident | 80 Ų | 80 | 118.4 Ų | 118.4 | 37% | 0.374 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.1 | -39.5 | 171.3 | -77.3 | -139.2 | 154 | 0 | 0 | 113.6 | H898 E900 R905 K906 | H898-E902 PolarHBondContact O-N 2.79Å; E900-E902 VanDerWaalsContact C-N 3.29Å; E900-E902 PolarHBondContact O-N 2.8Å; E902-R905 PolarHBondContact O-N 2.85Å; E902-K906 WeakPolarHBondContact O-CG 3.46Å; E902-K906 PolarHBondContact O-N 2.85Å; E902-K906 VanDerWaalsContact O-N 3.1Å; E902-K906 IonicContact OE2-NZ 2.6Å; E902-K906 PolarHBondContact OE2-NZ 3.14Å |
| 903 | R | 77.9 | Confident | 72.1 | Confident | 182 Ų | 182 | 116.6 Ų | 116.6 | 69% | 0.687 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.5 | -48.9 | 174.8 | -88.1 | -178.7 | 169 | 170 | -1 | 111.1 | S899 E900 K906 Q907 | S899-R903 PolarHBondContact O-N 2.91Å; E900-R903 WeakPolarHBondContact O-CB 3.34Å; E900-R903 PolarHBondContact O-N 3.04Å; E900-R903 VanDerWaalsContact O-N 3.1Å; R903-K906 PolarHBondContact O-N 3.13Å; R903-Q907 WeakPolarHBondContact O-CG 3.32Å; R903-Q907 PolarHBondContact O-N 2.79Å; R903-Q907 VanDerWaalsContact O-N 3.14Å |
| 904 | W | 76.9 | Confident | 73.2 | Confident | 172 Ų | 172 | 115.3 Ų | 115.3 | 65% | 0.652 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.4 | -38 | 179.1 | -72 | 115.8 | 0 | 0 | 0 | 112.6 | E900 Q907 Y908 | E900-W904 PolarHBondContact O-N 3.43Å; W904-Q907 PolarHBondContact O-N 3.13Å; W904-Y908 WeakPolarHBondContact O-CB 3.49Å; W904-Y908 PolarHBondContact O-N 3.21Å |
| 905 | R | 81.6 | Confident | 74.5 | Confident | 129 Ų | 129 | 112 Ų | 112 | 49% | 0.487 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -55.5 | -54.7 | 172.6 | -179.8 | -167.6 | -57.9 | -82.3 | 0.6 | 111.6 | M901 E902 Q907 Y908 E909 | M901-R905 VanDerWaalsContact O-CB 3.28Å; M901-R905 WeakPolarHBondContact O-CB 3.39Å; M901-R905 PolarHBondContact O-N 2.9Å; E902-R905 PolarHBondContact O-N 2.85Å; R905-Q907 VanDerWaalsContact C-N 3.32Å; R905-Q907 PolarHBondContact O-N 3.43Å; R905-Y908 PolarHBondContact O-N 3.46Å; R905-Y908 VanDerWaalsContact O-N 3.13Å; R905-E909 WeakPolarHBondContact CG-OE1 3.25Å; R905-E909 WeakPolarHBondContact O-CG 3.44Å; R905-E909 PolarHBondContact O-N 3.31Å |
| 906 | K | 82.6 | Confident | 75.8 | Confident | 115 Ų | 115 | 110.3 Ų | 110.3 | 50% | 0.5 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.9 | -40 | -177.9 | -73.5 | 163 | 179.4 | 154.1 | 0 | 111.9 | E902 R903 E909 E910 | E902-K906 WeakPolarHBondContact O-CG 3.46Å; E902-K906 PolarHBondContact O-N 2.85Å; E902-K906 VanDerWaalsContact O-N 3.1Å; E902-K906 IonicContact OE2-NZ 2.6Å; E902-K906 PolarHBondContact OE2-NZ 3.14Å; R903-K906 PolarHBondContact O-N 3.13Å; K906-E909 PolarHBondContact O-N 3.47Å; K906-E910 PolarHBondContact O-N 3.03Å |
| 907 | Q | 82.3 | Confident | 77.4 | Confident | 113 Ų | 113 | 111.5 Ų | 111.5 | 53% | 0.528 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.3 | -38.1 | 175.2 | -71.2 | -177.1 | 1.7 | 0 | 0 | 113.1 | R903 W904 R905 L911 | R903-Q907 WeakPolarHBondContact O-CG 3.32Å; R903-Q907 PolarHBondContact O-N 2.79Å; R903-Q907 VanDerWaalsContact O-N 3.14Å; W904-Q907 PolarHBondContact O-N 3.13Å; R905-Q907 VanDerWaalsContact C-N 3.32Å; R905-Q907 PolarHBondContact O-N 3.43Å; Q907-L911 WeakPolarHBondContact O-CB 3.26Å; Q907-L911 PolarHBondContact O-N 3.26Å |
| 908 | Y | 83.1 | Confident | 78.6 | Confident | 159 Ų | 159 | 112.9 Ų | 112.9 | 62% | 0.624 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.7 | -44.4 | 175.4 | -178.6 | -91.4 | 0 | 0 | 0 | 111.9 | W904 R905 L911 F912 | W904-Y908 WeakPolarHBondContact O-CB 3.49Å; W904-Y908 PolarHBondContact O-N 3.21Å; R905-Y908 PolarHBondContact O-N 3.46Å; R905-Y908 VanDerWaalsContact O-N 3.13Å; Y908-L911 PolarHBondContact O-N 3.28Å; Y908-F912 WeakPolarHBondContact O-CB 3.43Å; Y908-F912 PolarHBondContact O-N 2.96Å |
| 909 | E | 86.7 | Confident | 79.9 | Confident | 98 Ų | 98 | 111.5 Ų | 111.5 | 46% | 0.458 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 177.8 | -72.4 | 163.1 | 177 | 0 | 0 | 111.4 | R905 K906 L911 F912 V913 | R905-E909 WeakPolarHBondContact CG-OE1 3.25Å; R905-E909 WeakPolarHBondContact O-CG 3.44Å; R905-E909 PolarHBondContact O-N 3.31Å; K906-E909 PolarHBondContact O-N 3.47Å; E909-L911 VanDerWaalsContact C-N 3.35Å; E909-L911 PolarHBondContact O-N 3.45Å; E909-F912 PolarHBondContact O-N 3.36Å; E909-V913 WeakPolarHBondContact O-CG2 3.14Å; E909-V913 PolarHBondContact O-N 3.32Å; E909-V913 VanDerWaalsContact O-N 3.15Å |
| 910 | E | 85.4 | Confident | 81 | Confident | 115 Ų | 115 | 114.3 Ų | 114.3 | 54% | 0.537 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60 | -40.1 | 171.9 | -91.7 | -161 | -129.6 | 0 | 0 | 113.7 | K906 K914 | K906-E910 PolarHBondContact O-N 3.03Å; E910-K914 VanDerWaalsContact O-CD 3.22Å; E910-K914 WeakPolarHBondContact O-CD 3.38Å; E910-K914 WeakPolarHBondContact O-CE 3.44Å; E910-K914 VanDerWaalsContact O-CG 3.26Å; E910-K914 WeakPolarHBondContact O-CG 3.28Å; E910-K914 PolarHBondContact O-N 3.02Å; E910-K914 IonicContact OE2-NZ 2.69Å; E910-K914 PolarHBondContact OE2-NZ 3.46Å |
| 911 | L | 86.1 | Confident | 82 | Confident | 108 Ų | 108 | 113.9 Ų | 113.9 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.7 | -41.5 | 179.5 | -170.6 | 70.7 | 0 | 0 | 0 | 110.9 | Q907 Y908 E909 K914 V915 | Q907-L911 WeakPolarHBondContact O-CB 3.26Å; Q907-L911 PolarHBondContact O-N 3.26Å; Y908-L911 PolarHBondContact O-N 3.28Å; E909-L911 VanDerWaalsContact C-N 3.35Å; E909-L911 PolarHBondContact O-N 3.45Å; L911-K914 PolarHBondContact O-N 2.88Å; L911-V915 WeakPolarHBondContact O-CG2 3.4Å; L911-V915 PolarHBondContact O-N 2.87Å |
| 912 | F | 80.1 | Confident | 82.9 | Confident | 122 Ų | 122 | 113.3 Ų | 113.3 | 54% | 0.535 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.5 | -49.1 | 178.8 | -169.9 | -95.9 | 0 | 0 | 0 | 111.4 | Y908 E909 K914 V915 T916 | Y908-F912 WeakPolarHBondContact O-CB 3.43Å; Y908-F912 PolarHBondContact O-N 2.96Å; E909-F912 PolarHBondContact O-N 3.36Å; F912-K914 PolarHBondContact O-N 3.19Å; F912-V915 PolarHBondContact O-N 2.78Å; F912-T916 PolarHBondContact O-N 3.11Å; F912-T916 VanDerWaalsContact O-N 3.11Å; F912-T916 PolarHBondContact O-OG1 2.97Å; F912-T916 VanDerWaalsContact O-OG1 3.12Å |
| 913 | V | 85.1 | Confident | 83.6 | Confident | 107 Ų | 107 | 113.8 Ų | 113.8 | 65% | 0.648 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -57.1 | -34.1 | 176.3 | 171.6 | 0 | 0 | 0 | 0 | 112.5 | E909 V915 P917 | E909-V913 WeakPolarHBondContact O-CG2 3.14Å; E909-V913 PolarHBondContact O-N 3.32Å; E909-V913 VanDerWaalsContact O-N 3.15Å; V913-V915 VanDerWaalsContact C-N 3.34Å; V913-P917 WeakPolarHBondContact O-CD 3.24Å |
| 914 | K | 83.7 | Confident | 84 | Confident | 117 Ų | 117 | 107.8 Ų | 107.8 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -76.1 | -19.3 | 177.7 | -66.9 | 161.5 | -163.5 | 164.8 | 0 | 113.1 | E910 L911 F912 F918 | E910-K914 VanDerWaalsContact O-CD 3.22Å; E910-K914 WeakPolarHBondContact O-CD 3.38Å; E910-K914 WeakPolarHBondContact O-CE 3.44Å; E910-K914 VanDerWaalsContact O-CG 3.26Å; E910-K914 WeakPolarHBondContact O-CG 3.28Å; E910-K914 PolarHBondContact O-N 3.02Å; E910-K914 IonicContact OE2-NZ 2.69Å; E910-K914 PolarHBondContact OE2-NZ 3.46Å; L911-K914 PolarHBondContact O-N 2.88Å; F912-K914 PolarHBondContact O-N 3.19Å; K914-F918 WeakPolarHBondContact O-CD2 3.47Å; K914-F918 WeakPolarHBondContact O-CE2 3.35Å |
| 915 | V | 85.3 | Confident | 84.4 | Confident | 78 Ų | 78 | 105.7 Ų | 105.7 | 47% | 0.473 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -92.7 | -35.4 | -179.3 | 172.2 | 0 | 0 | 0 | 0 | 112.6 | L911 F912 V913 F918 Q919 | L911-V915 WeakPolarHBondContact O-CG2 3.4Å; L911-V915 PolarHBondContact O-N 2.87Å; F912-V915 PolarHBondContact O-N 2.78Å; V913-V915 VanDerWaalsContact C-N 3.34Å; V915-F918 WeakPolarHBondContact O-CB 3.31Å; V915-F918 PolarHBondContact O-N 2.8Å; V915-Q919 PolarHBondContact O-N 2.98Å |
| 916 | T | 83.4 | Confident | 84.6 | Confident | 52 Ų | 52 | 101.3 Ų | 101.3 | 32% | 0.319 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -44.2 | -52 | -179.1 | -50.2 | 0 | 0 | 0 | 0 | 115.1 | F912 F918 Q919 E920 | F912-T916 PolarHBondContact O-N 3.11Å; F912-T916 VanDerWaalsContact O-N 3.11Å; F912-T916 PolarHBondContact O-OG1 2.97Å; F912-T916 VanDerWaalsContact O-OG1 3.12Å; T916-F918 VanDerWaalsContact C-N 3.26Å; T916-F918 PolarHBondContact O-N 3.19Å; T916-Q919 WeakPolarHBondContact O-CB 3.2Å; T916-Q919 PolarHBondContact O-N 2.83Å; T916-E920 HydrophobicContact CG2-CG 4.44Å; T916-E920 PolarHBondContact O-N 3.22Å |
| 917 | P | 82.9 | Confident | 84.7 | Confident | 62 Ų | 62 | 98.8 Ų | 98.8 | 40% | 0.403 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.9 | -26 | -177.9 | 25.3 | -35.5 | 0 | 0 | 0 | 113.9 | V913 Q921 | V913-P917 WeakPolarHBondContact O-CD 3.24Å; P917-Q921 WeakPolarHBondContact O-CG 3.45Å; P917-Q921 PolarHBondContact O-N 3.36Å |
| 918 | F | 83.8 | Confident | 84.8 | Confident | 132 Ų | 132 | 99.1 Ų | 99.1 | 58% | 0.579 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -74.3 | -35.8 | 173.1 | -63.6 | -72.4 | 0 | 0 | 0 | 111.7 | K914 V915 T916 Q921 L922 | K914-F918 WeakPolarHBondContact O-CD2 3.47Å; K914-F918 WeakPolarHBondContact O-CE2 3.35Å; V915-F918 WeakPolarHBondContact O-CB 3.31Å; V915-F918 PolarHBondContact O-N 2.8Å; T916-F918 VanDerWaalsContact C-N 3.26Å; T916-F918 PolarHBondContact O-N 3.19Å; F918-Q921 PolarHBondContact O-N 3.27Å; F918-L922 WeakPolarHBondContact O-CG 3.42Å; F918-L922 PolarHBondContact O-N 2.93Å |
| 919 | Q | 84.4 | Confident | 85 | Confident | 99 Ų | 99 | 98.4 Ų | 98.4 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.7 | -39.7 | 173.3 | -173.1 | 60.5 | 57.6 | 0 | 0 | 111.3 | V915 T916 L922 N923 | V915-Q919 PolarHBondContact O-N 2.98Å; T916-Q919 WeakPolarHBondContact O-CB 3.2Å; T916-Q919 PolarHBondContact O-N 2.83Å; Q919-L922 PolarHBondContact O-N 3.45Å; Q919-N923 PolarHBondContact NE2-OD1 3.44Å; Q919-N923 WeakPolarHBondContact O-CB 3.29Å; Q919-N923 PolarHBondContact O-N 2.95Å; Q919-N923 PolarHBondContact O-ND2 2.82Å; Q919-N923 PolarHBondContact O-OD1 2.76Å |
| 920 | E | 84.8 | Confident | 84.9 | Confident | 120 Ų | 120 | 96.8 Ų | 96.8 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.2 | -42.6 | 174.7 | -70.3 | 173.4 | 170 | 0 | 0 | 111.9 | T916 N923 A924 | T916-E920 HydrophobicContact CG2-CG 4.44Å; T916-E920 PolarHBondContact O-N 3.22Å; E920-N923 PolarHBondContact O-N 3.5Å; E920-A924 PolarHBondContact O-N 2.92Å |
| 921 | Q | 86.6 | Confident | 84.9 | Confident | 111 Ų | 111 | 94.1 Ų | 94.1 | 52% | 0.519 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 172.5 | -76.6 | 179.7 | -2.9 | 0 | 0 | 112.6 | P917 F918 N923 A924 F925 | P917-Q921 WeakPolarHBondContact O-CG 3.45Å; P917-Q921 PolarHBondContact O-N 3.36Å; F918-Q921 PolarHBondContact O-N 3.27Å; Q921-N923 VanDerWaalsContact C-N 3.33Å; Q921-N923 PolarHBondContact O-N 2.81Å; Q921-A924 PolarHBondContact O-N 3.43Å; Q921-F925 HydrophobicContact CB-CE2 4.42Å; Q921-F925 WeakPolarHBondContact O-CD2 3.45Å; Q921-F925 PolarHBondContact O-N 2.73Å |
| 922 | L | 87.2 | Confident | 84.8 | Confident | 109 Ų | 109 | 93.5 Ų | 93.5 | 57% | 0.571 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.1 | -39 | 176.2 | -74.1 | 169.4 | 0 | 0 | 0 | 112.2 | F918 Q919 A926 | F918-L922 WeakPolarHBondContact O-CG 3.42Å; F918-L922 PolarHBondContact O-N 2.93Å; Q919-L922 PolarHBondContact O-N 3.45Å; L922-A926 WeakPolarHBondContact O-CB 3.49Å; L922-A926 PolarHBondContact O-N 2.93Å |
| 923 | N | 86.1 | Confident | 85 | Confident | 90 Ų | 90 | 92.8 Ų | 92.8 | 48% | 0.481 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 174.8 | -66.5 | -9.3 | 0 | 0 | 0 | 111.5 | Q919 E920 Q921 A926 A927 | Q919-N923 PolarHBondContact NE2-OD1 3.44Å; Q919-N923 WeakPolarHBondContact O-CB 3.29Å; Q919-N923 PolarHBondContact O-N 2.95Å; Q919-N923 PolarHBondContact O-ND2 2.82Å; Q919-N923 PolarHBondContact O-OD1 2.76Å; E920-N923 PolarHBondContact O-N 3.5Å; Q921-N923 VanDerWaalsContact C-N 3.33Å; Q921-N923 PolarHBondContact O-N 2.81Å; N923-A926 PolarHBondContact O-N 3.04Å; N923-A927 PolarHBondContact O-N 3.41Å |
| 924 | A | 85.3 | Confident | 85 | Confident | 55 Ų | 55 | 93.6 Ų | 93.6 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -46.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E920 Q921 A926 A927 E928 | E920-A924 PolarHBondContact O-N 2.92Å; Q921-A924 PolarHBondContact O-N 3.43Å; A924-A926 VanDerWaalsContact C-N 3.29Å; A924-A926 PolarHBondContact O-N 3.23Å; A924-A927 PolarHBondContact O-N 2.71Å; A924-A927 VanDerWaalsContact O-N 3.14Å; A924-E928 PolarHBondContact O-N 3Å |
| 925 | F | 86.1 | Confident | 85 | Confident | 129 Ų | 129 | 93.7 Ų | 93.7 | 57% | 0.566 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.4 | -32.7 | 175.7 | -70 | -53.6 | 0 | 0 | 0 | 113.1 | Q921 R929 | Q921-F925 HydrophobicContact CB-CE2 4.42Å; Q921-F925 WeakPolarHBondContact O-CD2 3.45Å; Q921-F925 PolarHBondContact O-N 2.73Å; F925-R929 WeakPolarHBondContact O-CB 3.22Å; F925-R929 PolarHBondContact O-N 3.34Å |
| 926 | A | 85.6 | Confident | 84.8 | Confident | 36 Ų | 36 | 95 Ų | 95 | 30% | 0.298 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.9 | -42.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L922 N923 A924 R929 D930 | L922-A926 WeakPolarHBondContact O-CB 3.49Å; L922-A926 PolarHBondContact O-N 2.93Å; N923-A926 PolarHBondContact O-N 3.04Å; A924-A926 VanDerWaalsContact C-N 3.29Å; A924-A926 PolarHBondContact O-N 3.23Å; A926-R929 PolarHBondContact O-N 3.05Å; A926-D930 PolarHBondContact O-N 2.65Å |
| 927 | A | 84.4 | Confident | 84.8 | Confident | 63 Ų | 63 | 94.2 Ų | 94.2 | 52% | 0.521 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N923 A924 D930 A931 | N923-A927 PolarHBondContact O-N 3.41Å; A924-A927 PolarHBondContact O-N 2.71Å; A924-A927 VanDerWaalsContact O-N 3.14Å; A927-D930 PolarHBondContact O-N 2.85Å; A927-A931 WeakPolarHBondContact O-CB 2.99Å; A927-A931 PolarHBondContact O-N 2.87Å |
| 928 | E | 85.1 | Confident | 84.6 | Confident | 119 Ų | 119 | 94 Ų | 94 | 56% | 0.556 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61 | -45.3 | 173.5 | -73.5 | -170.7 | 145.8 | 0 | 0 | 112.1 | A924 D930 A931 L932 | A924-E928 PolarHBondContact O-N 3Å; E928-D930 VanDerWaalsContact C-N 3.3Å; E928-D930 PolarHBondContact O-N 3.23Å; E928-A931 PolarHBondContact O-N 2.92Å; E928-L932 WeakPolarHBondContact O-CB 3.43Å; E928-L932 WeakPolarHBondContact O-CG 3.1Å; E928-L932 PolarHBondContact O-N 3.27Å |
| 929 | R | 87.7 | Confident | 84.4 | Confident | 145 Ų | 145 | 91.9 Ų | 91.9 | 55% | 0.547 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -56.6 | -45.4 | 176.1 | -177.8 | -158.8 | 69.5 | -160.9 | -6.2 | 111.3 | F925 A926 L932 L933 | F925-R929 WeakPolarHBondContact O-CB 3.22Å; F925-R929 PolarHBondContact O-N 3.34Å; A926-R929 PolarHBondContact O-N 3.05Å; R929-L932 PolarHBondContact O-N 2.96Å; R929-L933 HydrophobicContact CG-CD1 4.14Å; R929-L933 WeakPolarHBondContact O-CG 3.48Å; R929-L933 PolarHBondContact O-N 3.49Å |
| 930 | D | 84.4 | Confident | 84.3 | Confident | 64 Ų | 64 | 91.9 Ų | 91.9 | 34% | 0.342 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -76.2 | -31.1 | -174.7 | -66.7 | -13.7 | 0 | 0 | 0 | 112 | A926 A927 E928 N934 | A926-D930 PolarHBondContact O-N 2.65Å; A927-D930 PolarHBondContact O-N 2.85Å; E928-D930 VanDerWaalsContact C-N 3.3Å; E928-D930 PolarHBondContact O-N 3.23Å; D930-N934 PolarHBondContact O-N 2.86Å; D930-N934 VanDerWaalsContact O-N 3.11Å; D930-N934 PolarHBondContact O-ND2 2.86Å |
| 931 | A | 84.2 | Confident | 84.1 | Confident | 59 Ų | 59 | 91.5 Ų | 91.5 | 49% | 0.488 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.6 | -48.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A927 E928 L933 N934 E935 | A927-A931 WeakPolarHBondContact O-CB 2.99Å; A927-A931 PolarHBondContact O-N 2.87Å; E928-A931 PolarHBondContact O-N 2.92Å; A931-L933 VanDerWaalsContact C-N 3.33Å; A931-L933 PolarHBondContact O-N 2.76Å; A931-N934 PolarHBondContact O-N 3.5Å; A931-E935 PolarHBondContact O-N 3.39Å |
| 932 | L | 84.5 | Confident | 83.9 | Confident | 94 Ų | 94 | 92.3 Ų | 92.3 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.6 | -33.3 | 178.5 | -71.6 | 169.1 | 0 | 0 | 0 | 112.8 | E928 R929 N936 | E928-L932 WeakPolarHBondContact O-CB 3.43Å; E928-L932 WeakPolarHBondContact O-CG 3.1Å; E928-L932 PolarHBondContact O-N 3.27Å; R929-L932 PolarHBondContact O-N 2.96Å; L932-N936 WeakPolarHBondContact O-CB 3.4Å; L932-N936 PolarHBondContact O-N 3.09Å; L932-N936 PolarHBondContact O-ND2 3.01Å |
| 933 | L | 85.2 | Confident | 83.5 | Confident | 108 Ų | 108 | 92.2 Ų | 92.2 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.9 | -42.4 | 173.5 | -79 | 168.9 | 0 | 0 | 0 | 111.8 | R929 A931 N936 G937 | R929-L933 HydrophobicContact CG-CD1 4.14Å; R929-L933 WeakPolarHBondContact O-CG 3.48Å; R929-L933 PolarHBondContact O-N 3.49Å; A931-L933 VanDerWaalsContact C-N 3.33Å; A931-L933 PolarHBondContact O-N 2.76Å; L933-N936 PolarHBondContact O-N 3.45Å; L933-G937 PolarHBondContact O-N 3.29Å |
| 934 | N | 83.8 | Confident | 83.1 | Confident | 124 Ų | 124 | 92.2 Ų | 92.2 | 66% | 0.663 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65 | -41.8 | 176.1 | -73.1 | -42.2 | 0 | 0 | 0 | 112.2 | D930 A931 G937 A938 | D930-N934 PolarHBondContact O-N 2.86Å; D930-N934 VanDerWaalsContact O-N 3.11Å; D930-N934 PolarHBondContact O-ND2 2.86Å; A931-N934 PolarHBondContact O-N 3.5Å; N934-G937 PolarHBondContact O-N 3.49Å; N934-A938 PolarHBondContact O-N 3.46Å |
| 935 | E | 84 | Confident | 83 | Confident | 118 Ų | 118 | 95.1 Ų | 95.1 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.2 | -42.8 | 176.4 | -172 | 176.7 | -149.9 | 0 | 0 | 111.9 | A931 G937 A938 N939 | A931-E935 PolarHBondContact O-N 3.39Å; E935-G937 VanDerWaalsContact C-N 3.32Å; E935-G937 PolarHBondContact O-N 2.9Å; E935-A938 PolarHBondContact O-N 3.5Å; E935-N939 WeakPolarHBondContact O-CB 3.47Å; E935-N939 PolarHBondContact O-N 2.72Å; E935-N939 PolarHBondContact O-ND2 3.1Å |
| 936 | N | 82.2 | Confident | 82.6 | Confident | 105 Ų | 105 | 94.7 Ų | 94.7 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.3 | -36.2 | 172.5 | -81.4 | -72.4 | 0 | 0 | 0 | 112.5 | L932 L933 Q940 | L932-N936 WeakPolarHBondContact O-CB 3.4Å; L932-N936 PolarHBondContact O-N 3.09Å; L932-N936 PolarHBondContact O-ND2 3.01Å; L933-N936 PolarHBondContact O-N 3.45Å; N936-Q940 WeakPolarHBondContact O-CB 3.34Å; N936-Q940 PolarHBondContact O-N 2.81Å |
| 937 | G | 82.6 | Confident | 81.8 | Confident | 37 Ų | 37 | 95.7 Ų | 95.7 | 38% | 0.381 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.8 | -49.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L933 N934 E935 Q940 E941 | L933-G937 PolarHBondContact O-N 3.29Å; N934-G937 PolarHBondContact O-N 3.49Å; E935-G937 VanDerWaalsContact C-N 3.32Å; E935-G937 PolarHBondContact O-N 2.9Å; G937-Q940 PolarHBondContact O-N 3.22Å; G937-E941 PolarHBondContact O-N 2.72Å |
| 938 | A | 79.3 | Confident | 81.2 | Confident | 56 Ų | 56 | 96.6 Ų | 96.6 | 46% | 0.463 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N934 E935 Q940 E941 E942 | N934-A938 PolarHBondContact O-N 3.46Å; E935-A938 PolarHBondContact O-N 3.5Å; A938-Q940 VanDerWaalsContact C-N 3.32Å; A938-Q940 PolarHBondContact O-N 3Å; A938-E941 WeakPolarHBondContact O-CB 3.49Å; A938-E941 PolarHBondContact O-N 2.67Å; A938-E942 PolarHBondContact O-N 3.23Å; A938-E942 VanDerWaalsContact O-N 3.1Å |
| 939 | N | 79.8 | Confident | 80.6 | Confident | 88 Ų | 88 | 93.8 Ų | 93.8 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.9 | -40.6 | 176.1 | -75.7 | -42.5 | 0 | 0 | 0 | 112.2 | E935 E942 L943 | E935-N939 WeakPolarHBondContact O-CB 3.47Å; E935-N939 PolarHBondContact O-N 2.72Å; E935-N939 PolarHBondContact O-ND2 3.1Å; N939-E942 PolarHBondContact O-N 2.74Å; N939-L943 PolarHBondContact O-N 3.29Å |
| 940 | Q | 81.1 | Confident | 79.3 | Confident | 99 Ų | 99 | 94.6 Ų | 94.6 | 46% | 0.463 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.6 | -34.8 | 176.9 | -173.9 | 60.9 | 62 | 0 | 0 | 112.2 | N936 G937 A938 L943 N944 | N936-Q940 WeakPolarHBondContact O-CB 3.34Å; N936-Q940 PolarHBondContact O-N 2.81Å; G937-Q940 PolarHBondContact O-N 3.22Å; A938-Q940 VanDerWaalsContact C-N 3.32Å; A938-Q940 PolarHBondContact O-N 3Å; Q940-L943 PolarHBondContact O-N 3.48Å; Q940-N944 PolarHBondContact NE2-OD1 3.43Å; Q940-N944 WeakPolarHBondContact O-CB 3.26Å; Q940-N944 PolarHBondContact O-N 3.45Å; Q940-N944 PolarHBondContact O-ND2 3.03Å; Q940-N944 PolarHBondContact O-OD1 2.9Å |
| 941 | E | 79.9 | Confident | 78.2 | Confident | 112 Ų | 112 | 94.6 Ų | 94.6 | 52% | 0.523 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 172 | -77.9 | -161.8 | -170.3 | 0 | 0 | 112.8 | G937 A938 L943 N944 K945 | G937-E941 PolarHBondContact O-N 2.72Å; A938-E941 WeakPolarHBondContact O-CB 3.49Å; A938-E941 PolarHBondContact O-N 2.67Å; E941-L943 VanDerWaalsContact C-N 3.35Å; E941-N944 PolarHBondContact O-N 3.22Å; E941-K945 WeakPolarHBondContact O-CD 3.3Å; E941-K945 WeakPolarHBondContact O-CG 3.5Å; E941-K945 PolarHBondContact O-N 3.47Å; E941-K945 IonicContact OE2-NZ 3.66Å; E941-K945 PolarHBondContact OE2-NZ 3.24Å |
| 942 | E | 82.4 | Confident | 77.3 | Confident | 129 Ų | 129 | 101 Ų | 101 | 60% | 0.603 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.5 | -41.1 | 176.5 | -62.8 | -138.9 | 143.1 | 0 | 0 | 111.7 | A938 N939 N944 K945 L946 | A938-E942 PolarHBondContact O-N 3.23Å; A938-E942 VanDerWaalsContact O-N 3.1Å; N939-E942 PolarHBondContact O-N 2.74Å; E942-N944 VanDerWaalsContact C-N 3.32Å; E942-N944 PolarHBondContact O-N 2.68Å; E942-K945 PolarHBondContact O-N 3.4Å; E942-L946 PolarHBondContact O-N 3.42Å |
| 943 | L | 78.9 | Confident | 76.3 | Confident | 107 Ų | 107 | 103.7 Ų | 103.7 | 56% | 0.56 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59 | -43 | 173 | -122 | 168.4 | 0 | 0 | 0 | 111.8 | N939 Q940 E941 L946 A947 | N939-L943 PolarHBondContact O-N 3.29Å; Q940-L943 PolarHBondContact O-N 3.48Å; E941-L943 VanDerWaalsContact C-N 3.35Å; L943-L946 PolarHBondContact O-N 2.87Å; L943-A947 WeakPolarHBondContact O-CB 3.17Å; L943-A947 PolarHBondContact O-N 3.47Å |
| 944 | N | 79.3 | Confident | 75.1 | Confident | 89 Ų | 89 | 104.7 Ų | 104.7 | 48% | 0.476 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.8 | -43.9 | 175.7 | -68.3 | -12 | 0 | 0 | 0 | 111.4 | Q940 E941 E942 L946 A947 D948 | Q940-N944 PolarHBondContact NE2-OD1 3.43Å; Q940-N944 WeakPolarHBondContact O-CB 3.26Å; Q940-N944 PolarHBondContact O-N 3.45Å; Q940-N944 PolarHBondContact O-ND2 3.03Å; Q940-N944 PolarHBondContact O-OD1 2.9Å; E941-N944 PolarHBondContact O-N 3.22Å; E942-N944 VanDerWaalsContact C-N 3.32Å; E942-N944 PolarHBondContact O-N 2.68Å; N944-L946 VanDerWaalsContact C-N 3.32Å; N944-L946 PolarHBondContact O-N 3.42Å; N944-A947 PolarHBondContact O-N 3.02Å; N944-D948 WeakPolarHBondContact O-CB 3.47Å; N944-D948 PolarHBondContact O-N 3.02Å |
| 945 | K | 82.4 | Confident | 73.8 | Confident | 116 Ų | 116 | 101.3 Ų | 101.3 | 50% | 0.504 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.9 | -40.7 | 176.5 | -69.4 | 156.8 | -164.8 | 160.8 | 0 | 111.4 | E941 E942 A949 | E941-K945 WeakPolarHBondContact O-CD 3.3Å; E941-K945 WeakPolarHBondContact O-CG 3.5Å; E941-K945 PolarHBondContact O-N 3.47Å; E941-K945 IonicContact OE2-NZ 3.66Å; E941-K945 PolarHBondContact OE2-NZ 3.24Å; E942-K945 PolarHBondContact O-N 3.4Å; K945-A949 PolarHBondContact O-N 2.95Å; K945-A949 VanDerWaalsContact O-N 3.14Å |
| 946 | L | 77.9 | Confident | 72.5 | Confident | 120 Ų | 120 | 104.2 Ų | 104.2 | 63% | 0.628 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.1 | -44.5 | 173.1 | -107.4 | 73 | 0 | 0 | 0 | 112.7 | E942 L943 N944 D948 A949 Y950 | E942-L946 PolarHBondContact O-N 3.42Å; L943-L946 PolarHBondContact O-N 2.87Å; N944-L946 VanDerWaalsContact C-N 3.32Å; N944-L946 PolarHBondContact O-N 3.42Å; L946-D948 VanDerWaalsContact C-N 3.33Å; L946-D948 PolarHBondContact O-N 3.13Å; L946-A949 PolarHBondContact O-N 3.4Å; L946-Y950 PolarHBondContact O-N 2.93Å |
| 947 | A | 68.1 | Low | 71.2 | Confident | 57 Ų | 57 | 106.3 Ų | 106.3 | 47% | 0.471 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62 | -41.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L943 N944 Y950 A951 | L943-A947 WeakPolarHBondContact O-CB 3.17Å; L943-A947 PolarHBondContact O-N 3.47Å; N944-A947 PolarHBondContact O-N 3.02Å; A947-Y950 PolarHBondContact O-N 3.26Å; A947-A951 WeakPolarHBondContact O-CB 3.09Å; A947-A951 PolarHBondContact O-N 3.33Å |
| 948 | D | 72.4 | Confident | 69.7 | Low | 82 Ų | 82 | 109.3 Ų | 109.3 | 44% | 0.439 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.3 | -40.5 | 177.3 | -127.8 | 47.7 | 0 | 0 | 0 | 112 | N944 L946 A951 R952 | N944-D948 WeakPolarHBondContact O-CB 3.47Å; N944-D948 PolarHBondContact O-N 3.02Å; L946-D948 VanDerWaalsContact C-N 3.33Å; L946-D948 PolarHBondContact O-N 3.13Å; D948-A951 PolarHBondContact O-N 3.42Å; D948-R952 WeakPolarHBondContact O-CB 3.41Å; D948-R952 WeakPolarHBondContact O-CD 3.37Å; D948-R952 WeakPolarHBondContact O-CG 2.95Å; D948-R952 PolarHBondContact O-N 3.34Å; D948-R952 IonicContact OD2-CZ 2.63Å; D948-R952 IonicContact OD2-NE 3.97Å; D948-R952 PolarHBondContact OD2-NE 3.35Å; D948-R952 IonicContact OD2-NH2 3.6Å; D948-R952 PolarHBondContact OD2-NH2 3.38Å |
| 949 | A | 72 | Confident | 68.8 | Low | 61 Ų | 61 | 114.4 Ų | 114.4 | 50% | 0.504 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.2 | -42.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K945 L946 L953 | K945-A949 PolarHBondContact O-N 2.95Å; K945-A949 VanDerWaalsContact O-N 3.14Å; L946-A949 PolarHBondContact O-N 3.4Å; A949-L953 WeakPolarHBondContact O-CB 2.89Å; A949-L953 PolarHBondContact O-N 2.85Å; A949-L953 VanDerWaalsContact O-N 3.11Å |
| 950 | Y | 61.1 | Low | 67.5 | Low | 162 Ų | 162 | 118.3 Ų | 118.3 | 64% | 0.635 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.1 | -45.2 | 174.7 | -115.4 | -94.9 | 0 | 0 | 0 | 112.3 | L946 A947 R952 L953 L954 | L946-Y950 PolarHBondContact O-N 2.93Å; A947-Y950 PolarHBondContact O-N 3.26Å; Y950-R952 PolarHBondContact O-N 2.92Å; Y950-L953 PolarHBondContact O-N 2.7Å; Y950-L954 HydrophobicContact CD1-CD1 3.71Å; Y950-L954 HydrophobicContact CE1-CD1 4.3Å; Y950-L954 PolarHBondContact O-N 2.99Å |
| 951 | A | 61.6 | Low | 66.6 | Low | 64 Ų | 64 | 119.2 Ų | 119.2 | 53% | 0.529 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.1 | -42.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | A947 D948 L954 G955 | A947-A951 WeakPolarHBondContact O-CB 3.09Å; A947-A951 PolarHBondContact O-N 3.33Å; D948-A951 PolarHBondContact O-N 3.42Å; A951-L954 PolarHBondContact O-N 2.84Å; A951-G955 PolarHBondContact O-N 2.82Å |
| 952 | R | 65.6 | Low | 65.7 | Low | 193 Ų | 193 | 121.3 Ų | 121.3 | 73% | 0.728 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.6 | -39.3 | 175.4 | -67.9 | 167.5 | -163.4 | -146.3 | 6.9 | 111.8 | D948 Y950 | D948-R952 WeakPolarHBondContact O-CB 3.41Å; D948-R952 WeakPolarHBondContact O-CD 3.37Å; D948-R952 WeakPolarHBondContact O-CG 2.95Å; D948-R952 PolarHBondContact O-N 3.34Å; D948-R952 IonicContact OD2-CZ 2.63Å; D948-R952 IonicContact OD2-NE 3.97Å; D948-R952 PolarHBondContact OD2-NE 3.35Å; D948-R952 IonicContact OD2-NH2 3.6Å; D948-R952 PolarHBondContact OD2-NH2 3.38Å; Y950-R952 PolarHBondContact O-N 2.92Å |
| 953 | L | 61.9 | Low | 64.4 | Low | 151 Ų | 151 | 120.7 Ų | 120.7 | 79% | 0.791 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.8 | -33.7 | 179.2 | -159.8 | 74.1 | 0 | 0 | 0 | 113.1 | A949 Y950 | A949-L953 WeakPolarHBondContact O-CB 2.89Å; A949-L953 PolarHBondContact O-N 2.85Å; A949-L953 VanDerWaalsContact O-N 3.11Å; Y950-L953 PolarHBondContact O-N 2.7Å |
| 954 | L | 60.2 | Low | 63.5 | Low | 129 Ų | 129 | 123.6 Ų | 123.6 | 68% | 0.675 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -82.4 | -5.4 | -179.7 | -93.1 | 137.1 | 0 | 0 | 0 | 114.9 | Y950 A951 H956 | Y950-L954 HydrophobicContact CD1-CD1 3.71Å; Y950-L954 HydrophobicContact CE1-CD1 4.3Å; Y950-L954 PolarHBondContact O-N 2.99Å; A951-L954 PolarHBondContact O-N 2.84Å; L954-H956 VanDerWaalsContact C-N 3.32Å; L954-H956 PolarHBondContact O-N 3.49Å |
| 955 | G | 56.5 | Low | 63 | Low | 52 Ų | 52 | 124.8 Ų | 124.8 | 54% | 0.536 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -59.2 | -34.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | A951 | A951-G955 PolarHBondContact O-N 2.82Š|
| 956 | H | 57.4 | Low | 62.4 | Low | 180 Ų | 180 | 123.7 Ų | 123.7 | 83% | 0.833 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -143.3 | 96.9 | -174.9 | -73.1 | -23.7 | 0 | 0 | 0 | 114.1 | L954 | L954-H956 VanDerWaalsContact C-N 3.32Å; L954-H956 PolarHBondContact O-N 3.49Å |
| 957 | Q | 54.1 | Low | 61.9 | Low | 149 Ų | 149 | 123.6 Ų | 123.6 | 70% | 0.696 | 62% | 0.624 | S | S | * | * | -171.2 | 140.7 | 123.9 | -106.4 | 176 | 53.4 | 0 | 0 | 116.3 | |||||
| 958 | N | 52.5 | Low | 62.1 | Low | 100 Ų | 100 | 126.8 Ų | 126.8 | 54% | 0.535 | 63% | 0.627 | S | S | . | * | trans | 44.6 | 114.5 | 140 | -156.2 | -34 | 0 | 0 | 0 | 120.3 | K960 Q961 | N958-K960 PolarHBondContact O-N 3.45Å; N958-K960 PolarHBondContact OD1-N 3.27Å; N958-Q961 PolarHBondContact O-N 2.8Å | ||
| 959 | Q | 59.9 | Low | 62.3 | Low | 162 Ų | 162 | 127.4 Ų | 127.4 | 76% | 0.757 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -55.5 | -24.2 | 177.2 | -73.9 | 159.7 | -48.5 | 0 | 0 | 115.2 | Q961 K962 I963 | Q959-Q961 PolarHBondContact O-N 3.37Å; Q959-K962 PolarHBondContact O-N 3.04Å; Q959-I963 PolarHBondContact O-N 3.01Å |
| 960 | K | 53.2 | Low | 62.4 | Low | 170 Ų | 170 | 131.6 Ų | 131.6 | 74% | 0.739 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -61.3 | -30.4 | 173.6 | -83.2 | -173.8 | 173.4 | 178.8 | 0 | 113.1 | N958 | N958-K960 PolarHBondContact O-N 3.45Å; N958-K960 PolarHBondContact OD1-N 3.27Å |
| 961 | Q | 61.3 | Low | 63.1 | Low | 118 Ų | 118 | 128.4 Ų | 128.4 | 55% | 0.551 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -72.9 | -41.7 | 174.5 | -67.9 | -172.7 | -0.3 | 0 | 0 | 111.5 | N958 Q959 I963 K964 H965 | N958-Q961 PolarHBondContact O-N 2.8Å; Q959-Q961 PolarHBondContact O-N 3.37Å; Q961-I963 VanDerWaalsContact C-N 3.3Å; Q961-I963 PolarHBondContact O-N 3.03Å; Q961-K964 PolarHBondContact O-N 2.9Å; Q961-H965 PolarHBondContact O-N 2.76Å |
| 962 | K | 60.2 | Low | 63.9 | Low | 156 Ų | 156 | 129.2 Ų | 129.2 | 68% | 0.678 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -55.6 | -40.9 | 176.5 | -90.8 | -174.5 | 173.7 | 178.7 | 0 | 112.6 | Q959 H965 V966 | Q959-K962 PolarHBondContact O-N 3.04Å; K962-H965 PolarHBondContact O-N 3.26Å; K962-V966 WeakPolarHBondContact O-CB 3.4Å; K962-V966 VanDerWaalsContact O-CG2 3.23Å; K962-V966 WeakPolarHBondContact O-CG2 3.31Å; K962-V966 PolarHBondContact O-N 2.76Å |
| 963 | I | 56.8 | Low | 64.5 | Low | 116 Ų | 116 | 123.7 Ų | 123.7 | 60% | 0.595 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63 | -46.3 | 178.3 | -63.2 | 172.6 | 0 | 0 | 0 | 111.3 | Q959 Q961 H965 V966 M967 | Q959-I963 PolarHBondContact O-N 3.01Å; Q961-I963 VanDerWaalsContact C-N 3.3Å; Q961-I963 PolarHBondContact O-N 3.03Å; I963-H965 PolarHBondContact O-N 3.44Å; I963-V966 PolarHBondContact O-N 3.43Å; I963-M967 WeakPolarHBondContact O-CG 3.48Å; I963-M967 PolarHBondContact O-N 3.35Å |
| 964 | K | 59.3 | Low | 65.4 | Low | 168 Ų | 168 | 120.6 Ų | 120.6 | 73% | 0.73 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.4 | -41.8 | 175.3 | -100.5 | -171.8 | 173 | -174.8 | 0 | 112.4 | Q961 M967 K968 | Q961-K964 PolarHBondContact O-N 2.9Å; K964-M967 PolarHBondContact O-N 3.41Å; K964-K968 PolarHBondContact O-N 3.17Å |
| 965 | H | 68.3 | Low | 66.2 | Low | 115 Ų | 115 | 117.8 Ų | 117.8 | 53% | 0.532 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70.6 | -35.1 | -179.4 | -135.4 | -59.8 | 0 | 0 | 0 | 112.6 | Q961 K962 I963 K968 L969 | Q961-H965 PolarHBondContact O-N 2.76Å; K962-H965 PolarHBondContact O-N 3.26Å; I963-H965 PolarHBondContact O-N 3.44Å; H965-K968 PolarHBondContact O-N 3.01Å; H965-L969 WeakPolarHBondContact O-CB 3.42Å; H965-L969 VanDerWaalsContact O-CG 3.25Å; H965-L969 WeakPolarHBondContact O-CG 3.18Å; H965-L969 PolarHBondContact O-N 3.1Å |
| 966 | V | 69.2 | Low | 67.3 | Low | 93 Ų | 93 | 120.2 Ų | 120.2 | 56% | 0.564 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.2 | -37 | 173.7 | 167.7 | 0 | 0 | 0 | 0 | 111.4 | K962 I963 K970 | K962-V966 WeakPolarHBondContact O-CB 3.4Å; K962-V966 VanDerWaalsContact O-CG2 3.23Å; K962-V966 WeakPolarHBondContact O-CG2 3.31Å; K962-V966 PolarHBondContact O-N 2.76Å; I963-V966 PolarHBondContact O-N 3.43Å; V966-K970 WeakPolarHBondContact O-CB 3.49Å; V966-K970 PolarHBondContact O-N 2.82Å |
| 967 | M | 67.9 | Low | 68.1 | Low | 118 Ų | 118 | 117.7 Ų | 117.7 | 58% | 0.581 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.5 | -50.9 | 171.8 | -71.9 | -175.9 | 72.3 | 0 | 0 | 111.3 | I963 K964 L969 K970 D971 | I963-M967 WeakPolarHBondContact O-CG 3.48Å; I963-M967 PolarHBondContact O-N 3.35Å; K964-M967 PolarHBondContact O-N 3.41Å; M967-L969 PolarHBondContact O-N 3.14Å; M967-K970 WeakPolarHBondContact O-CA 2.99Å; M967-K970 WeakPolarHBondContact O-CB 3.47Å; M967-K970 PolarHBondContact O-N 2.69Å; M967-D971 PolarHBondContact O-N 3.42Å |
| 968 | K | 73.3 | Confident | 69.3 | Low | 124 Ų | 124 | 116.2 Ų | 116.2 | 54% | 0.539 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -51.8 | -51.6 | 174.2 | -103.7 | -165.9 | 159.5 | -129 | 0 | 112.6 | K964 H965 K970 D971 E972 | K964-K968 PolarHBondContact O-N 3.17Å; H965-K968 PolarHBondContact O-N 3.01Å; K968-K970 PolarHBondContact O-N 3.14Å; K968-D971 PolarHBondContact O-N 2.87Å; K968-E972 IonicContact NZ-OE1 2.74Å; K968-E972 VanDerWaalsContact O-CB 3.31Å; K968-E972 WeakPolarHBondContact O-CB 3.48Å; K968-E972 VanDerWaalsContact O-CG 3.26Å; K968-E972 WeakPolarHBondContact O-CG 3.45Å; K968-E972 PolarHBondContact O-N 2.86Å |
| 969 | L | 75.4 | Confident | 70.7 | Confident | 95 Ų | 95 | 116.2 Ų | 116.2 | 50% | 0.497 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.3 | -29.3 | 177.9 | -74.9 | 168.3 | 0 | 0 | 0 | 112.4 | H965 M967 N973 | H965-L969 WeakPolarHBondContact O-CB 3.42Å; H965-L969 VanDerWaalsContact O-CG 3.25Å; H965-L969 WeakPolarHBondContact O-CG 3.18Å; H965-L969 PolarHBondContact O-N 3.1Å; M967-L969 PolarHBondContact O-N 3.14Å; L969-N973 WeakPolarHBondContact O-CB 3.45Å; L969-N973 PolarHBondContact O-N 3.24Å |
| 970 | K | 73.9 | Confident | 71.7 | Confident | 148 Ų | 148 | 111.6 Ų | 111.6 | 64% | 0.643 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -72.7 | -42.4 | 176.8 | -155.8 | 177.8 | -172.4 | -175 | 0 | 111.5 | V966 M967 K968 N973 I974 | V966-K970 WeakPolarHBondContact O-CB 3.49Å; V966-K970 PolarHBondContact O-N 2.82Å; M967-K970 WeakPolarHBondContact O-CA 2.99Å; M967-K970 WeakPolarHBondContact O-CB 3.47Å; M967-K970 PolarHBondContact O-N 2.69Å; K968-K970 PolarHBondContact O-N 3.14Å; K970-N973 PolarHBondContact O-N 2.84Å; K970-I974 WeakPolarHBondContact O-CG1 3.45Å; K970-I974 PolarHBondContact O-N 2.76Å; K970-I974 VanDerWaalsContact O-N 3.1Å |
| 971 | D | 76 | Confident | 72.8 | Confident | 96 Ų | 96 | 107.2 Ų | 107.2 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.6 | -45 | 177.5 | -58.9 | -29.8 | 0 | 0 | 0 | 110.9 | M967 K968 N973 I974 S975 | M967-D971 PolarHBondContact O-N 3.42Å; K968-D971 PolarHBondContact O-N 2.87Å; D971-N973 VanDerWaalsContact C-N 3.31Å; D971-N973 PolarHBondContact O-N 3.17Å; D971-I974 WeakPolarHBondContact O-CB 3.46Å; D971-I974 PolarHBondContact O-N 3.39Å; D971-I974 VanDerWaalsContact O-N 3.1Å; D971-S975 PolarHBondContact O-N 3.17Å |
| 972 | E | 79.4 | Confident | 73.8 | Confident | 80 Ų | 80 | 107.9 Ų | 107.9 | 37% | 0.374 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.7 | -39.3 | 173.3 | -70.6 | 161.5 | -169.7 | 0 | 0 | 111.2 | K968 I974 S975 L976 | K968-E972 IonicContact NZ-OE1 2.74Å; K968-E972 VanDerWaalsContact O-CB 3.31Å; K968-E972 WeakPolarHBondContact O-CB 3.48Å; K968-E972 VanDerWaalsContact O-CG 3.26Å; K968-E972 WeakPolarHBondContact O-CG 3.45Å; K968-E972 PolarHBondContact O-N 2.86Å; E972-I974 VanDerWaalsContact C-N 3.34Å; E972-I974 PolarHBondContact O-N 3.11Å; E972-S975 PolarHBondContact O-N 3.21Å; E972-L976 WeakPolarHBondContact O-CB 3.37Å; E972-L976 VanDerWaalsContact O-CG 3.31Å; E972-L976 WeakPolarHBondContact O-CG 2.88Å; E972-L976 PolarHBondContact O-N 2.99Å |
| 973 | N | 77.9 | Confident | 74.7 | Confident | 77 Ų | 77 | 105.2 Ų | 105.2 | 41% | 0.412 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.8 | -28.3 | 175.2 | -165.2 | -97.5 | 0 | 0 | 0 | 113.4 | L969 K970 D971 K977 | L969-N973 WeakPolarHBondContact O-CB 3.45Å; L969-N973 PolarHBondContact O-N 3.24Å; K970-N973 PolarHBondContact O-N 2.84Å; D971-N973 VanDerWaalsContact C-N 3.31Å; D971-N973 PolarHBondContact O-N 3.17Å; N973-K977 WeakPolarHBondContact O-CB 3.2Å; N973-K977 WeakPolarHBondContact O-CD 3.32Å; N973-K977 VanDerWaalsContact O-CG 3.28Å; N973-K977 WeakPolarHBondContact O-CG 3.41Å; N973-K977 PolarHBondContact O-N 2.85Å; N973-K977 VanDerWaalsContact O-N 3.1Å; N973-K977 WeakPolarHBondContact OD1-CE 3.4Å; N973-K977 PolarHBondContact OD1-NZ 3.39Å |
| 974 | I | 79.9 | Confident | 75.7 | Confident | 87 Ų | 87 | 108.3 Ų | 108.3 | 45% | 0.446 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.1 | -47.5 | 173 | -70.8 | 163.5 | 0 | 0 | 0 | 110 | K970 D971 E972 K977 Q978 | K970-I974 WeakPolarHBondContact O-CG1 3.45Å; K970-I974 PolarHBondContact O-N 2.76Å; K970-I974 VanDerWaalsContact O-N 3.1Å; D971-I974 WeakPolarHBondContact O-CB 3.46Å; D971-I974 PolarHBondContact O-N 3.39Å; D971-I974 VanDerWaalsContact O-N 3.1Å; E972-I974 VanDerWaalsContact C-N 3.34Å; E972-I974 PolarHBondContact O-N 3.11Å; I974-K977 PolarHBondContact O-N 2.9Å; I974-Q978 PolarHBondContact O-N 2.8Å; I974-Q978 VanDerWaalsContact O-N 3.11Å |
| 975 | S | 77.2 | Confident | 76.6 | Confident | 70 Ų | 70 | 104 Ų | 104 | 49% | 0.49 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.6 | -49.5 | 174.8 | -67.2 | 0 | 0 | 0 | 0 | 111.8 | D971 E972 K977 Q978 E979 | D971-S975 PolarHBondContact O-N 3.17Å; E972-S975 PolarHBondContact O-N 3.21Å; S975-K977 VanDerWaalsContact C-N 3.27Å; S975-K977 PolarHBondContact O-N 2.8Å; S975-Q978 WeakPolarHBondContact O-CB 3.4Å; S975-Q978 PolarHBondContact O-N 3.29Å; S975-E979 PolarHBondContact O-N 3Å |
| 976 | L | 79.6 | Confident | 77.2 | Confident | 102 Ų | 102 | 103 Ų | 103 | 53% | 0.534 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.9 | -31.4 | 178.1 | -72.1 | 170 | 0 | 0 | 0 | 112.9 | E972 E979 V980 | E972-L976 WeakPolarHBondContact O-CB 3.37Å; E972-L976 VanDerWaalsContact O-CG 3.31Å; E972-L976 WeakPolarHBondContact O-CG 2.88Å; E972-L976 PolarHBondContact O-N 2.99Å; L976-E979 PolarHBondContact O-N 3.46Å; L976-V980 VanDerWaalsContact O-CB 3.32Å; L976-V980 WeakPolarHBondContact O-CB 3.28Å; L976-V980 VanDerWaalsContact O-CG2 3.24Å; L976-V980 WeakPolarHBondContact O-CG2 3.27Å; L976-V980 PolarHBondContact O-N 3.13Å |
| 977 | K | 75.3 | Confident | 77.6 | Confident | 127 Ų | 127 | 102 Ų | 102 | 55% | 0.552 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.7 | -37.4 | 172.4 | -83.2 | 167.7 | 174.1 | 157.2 | 0 | 112.7 | N973 I974 S975 S981 | N973-K977 WeakPolarHBondContact O-CB 3.2Å; N973-K977 WeakPolarHBondContact O-CD 3.32Å; N973-K977 VanDerWaalsContact O-CG 3.28Å; N973-K977 WeakPolarHBondContact O-CG 3.41Å; N973-K977 PolarHBondContact O-N 2.85Å; N973-K977 VanDerWaalsContact O-N 3.1Å; N973-K977 WeakPolarHBondContact OD1-CE 3.4Å; N973-K977 PolarHBondContact OD1-NZ 3.39Å; I974-K977 PolarHBondContact O-N 2.9Å; S975-K977 VanDerWaalsContact C-N 3.27Å; S975-K977 PolarHBondContact O-N 2.8Å; K977-S981 WeakPolarHBondContact O-CB 3.27Å; K977-S981 PolarHBondContact O-N 3.46Å; K977-S981 VanDerWaalsContact O-N 3.11Å; K977-S981 PolarHBondContact O-OG 2.75Å |
| 978 | Q | 78.4 | Confident | 77.9 | Confident | 119 Ų | 119 | 100.3 Ų | 100.3 | 56% | 0.556 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.4 | -41.3 | 172.5 | -64.2 | 179.2 | 13.2 | 0 | 0 | 111.1 | I974 S975 S981 K982 | I974-Q978 PolarHBondContact O-N 2.8Å; I974-Q978 VanDerWaalsContact O-N 3.11Å; S975-Q978 WeakPolarHBondContact O-CB 3.4Å; S975-Q978 PolarHBondContact O-N 3.29Å; Q978-S981 WeakPolarHBondContact O-CB 3.49Å; Q978-S981 PolarHBondContact O-N 2.92Å; Q978-K982 PolarHBondContact O-N 2.53Å |
| 979 | E | 82.9 | Confident | 78.2 | Confident | 99 Ų | 99 | 103.3 Ų | 103.3 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.5 | -48.6 | 178.4 | -154.4 | 108 | -99 | 0 | 0 | 112.2 | S975 L976 S981 K982 L983 | S975-E979 PolarHBondContact O-N 3Å; L976-E979 PolarHBondContact O-N 3.46Å; E979-S981 PolarHBondContact O-N 2.9Å; E979-K982 WeakPolarHBondContact O-CB 3.46Å; E979-K982 PolarHBondContact O-N 2.67Å; E979-K982 VanDerWaalsContact O-N 3.09Å; E979-L983 HydrophobicContact CG-CD1 4.49Å; E979-L983 WeakPolarHBondContact O-CG 3.4Å; E979-L983 PolarHBondContact O-N 3.42Å |
| 980 | V | 79.4 | Confident | 78.2 | Confident | 65 Ų | 65 | 103.9 Ų | 103.9 | 39% | 0.394 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.1 | -32.2 | 174.2 | 168 | 0 | 0 | 0 | 0 | 111.4 | L976 R984 | L976-V980 VanDerWaalsContact O-CB 3.32Å; L976-V980 WeakPolarHBondContact O-CB 3.28Å; L976-V980 VanDerWaalsContact O-CG2 3.24Å; L976-V980 WeakPolarHBondContact O-CG2 3.27Å; L976-V980 PolarHBondContact O-N 3.13Å; V980-R984 HydrophobicContact CG1-CG 4.27Å; V980-R984 VanDerWaalsContact O-CB 3.29Å; V980-R984 WeakPolarHBondContact O-CB 3.48Å; V980-R984 WeakPolarHBondContact O-CG 3.46Å; V980-R984 PolarHBondContact O-N 3.04Å |
| 981 | S | 77.8 | Confident | 78.2 | Confident | 79 Ų | 79 | 103.3 Ų | 103.3 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.5 | -39 | 174.5 | -59 | 0 | 0 | 0 | 0 | 112.1 | K977 Q978 E979 S985 | K977-S981 WeakPolarHBondContact O-CB 3.27Å; K977-S981 PolarHBondContact O-N 3.46Å; K977-S981 VanDerWaalsContact O-N 3.11Å; K977-S981 PolarHBondContact O-OG 2.75Å; Q978-S981 WeakPolarHBondContact O-CB 3.49Å; Q978-S981 PolarHBondContact O-N 2.92Å; E979-S981 PolarHBondContact O-N 2.9Å; S981-S985 PolarHBondContact O-N 2.98Å |
| 982 | K | 81.8 | Confident | 78.1 | Confident | 131 Ų | 131 | 101 Ų | 101 | 57% | 0.57 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.3 | -44.2 | 172.3 | -67.4 | 172 | -177 | 171.6 | 0 | 112.3 | Q978 E979 S985 L986 | Q978-K982 PolarHBondContact O-N 2.53Å; E979-K982 WeakPolarHBondContact O-CB 3.46Å; E979-K982 PolarHBondContact O-N 2.67Å; E979-K982 VanDerWaalsContact O-N 3.09Å; K982-S985 PolarHBondContact O-N 3.47Å; K982-S985 PolarHBondContact O-OG 3.03Å; K982-L986 PolarHBondContact O-N 3.33Å; K982-L986 VanDerWaalsContact O-N 3.11Å |
| 983 | L | 78.8 | Confident | 77.8 | Confident | 101 Ų | 101 | 100.8 Ų | 100.8 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68 | -36.1 | -179.9 | -70.2 | 172.9 | 0 | 0 | 0 | 111.9 | E979 L986 V987 | E979-L983 HydrophobicContact CG-CD1 4.49Å; E979-L983 WeakPolarHBondContact O-CG 3.4Å; E979-L983 PolarHBondContact O-N 3.42Å; L983-L986 PolarHBondContact O-N 3.45Å; L983-V987 WeakPolarHBondContact O-CB 3.45Å; L983-V987 WeakPolarHBondContact O-CG2 3.28Å; L983-V987 PolarHBondContact O-N 3.19Å |
| 984 | R | 77.1 | Confident | 77.3 | Confident | 181 Ų | 181 | 102.3 Ų | 102.3 | 68% | 0.683 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.1 | -39.7 | 174.5 | -78.1 | 175.8 | 178.5 | -155.9 | -1.1 | 112.7 | V980 S988 | V980-R984 HydrophobicContact CG1-CG 4.27Å; V980-R984 VanDerWaalsContact O-CB 3.29Å; V980-R984 WeakPolarHBondContact O-CB 3.48Å; V980-R984 WeakPolarHBondContact O-CG 3.46Å; V980-R984 PolarHBondContact O-N 3.04Å; R984-S988 PolarHBondContact O-N 2.9Å; R984-S988 PolarHBondContact O-OG 3.5Å |
| 985 | S | 78.2 | Confident | 76.8 | Confident | 77 Ų | 77 | 105 Ų | 105 | 54% | 0.538 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.7 | -34 | 175.4 | 64 | 0 | 0 | 0 | 0 | 112.2 | S981 K982 R989 | S981-S985 PolarHBondContact O-N 2.98Å; K982-S985 PolarHBondContact O-N 3.47Å; K982-S985 PolarHBondContact O-OG 3.03Å; S985-R989 PolarHBondContact O-N 2.81Å |
| 986 | L | 81.3 | Confident | 76.1 | Confident | 94 Ų | 94 | 106.8 Ų | 106.8 | 49% | 0.492 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.6 | -47 | 172.9 | -149.2 | 82.4 | 0 | 0 | 0 | 112.3 | K982 L983 R989 Q990 | K982-L986 PolarHBondContact O-N 3.33Å; K982-L986 VanDerWaalsContact O-N 3.11Å; L983-L986 PolarHBondContact O-N 3.45Å; L986-R989 WeakPolarHBondContact O-CB 3.31Å; L986-R989 PolarHBondContact O-N 2.82Å; L986-R989 VanDerWaalsContact O-N 3.15Å; L986-Q990 PolarHBondContact O-N 2.86Å |
| 987 | V | 79 | Confident | 75.1 | Confident | 71 Ų | 71 | 106.9 Ų | 106.9 | 43% | 0.43 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.1 | -37.6 | 179.3 | 169.5 | 0 | 0 | 0 | 0 | 111.9 | L983 R989 Q990 K991 | L983-V987 WeakPolarHBondContact O-CB 3.45Å; L983-V987 WeakPolarHBondContact O-CG2 3.28Å; L983-V987 PolarHBondContact O-N 3.19Å; V987-R989 VanDerWaalsContact C-N 3.27Å; V987-R989 PolarHBondContact O-N 3.43Å; V987-Q990 PolarHBondContact O-N 2.91Å; V987-K991 HydrophobicContact CG1-CD 4.48Å; V987-K991 HydrophobicContact CG1-CG 4.48Å; V987-K991 WeakPolarHBondContact O-CB 3.37Å; V987-K991 WeakPolarHBondContact O-CG 3.05Å; V987-K991 PolarHBondContact O-N 2.97Å |
| 988 | S | 74.1 | Confident | 74.2 | Confident | 84 Ų | 84 | 110.6 Ų | 110.6 | 59% | 0.587 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.3 | -36.4 | 172.5 | -70.1 | 0 | 0 | 0 | 0 | 112.3 | R984 S992 | R984-S988 PolarHBondContact O-N 2.9Å; R984-S988 PolarHBondContact O-OG 3.5Å; S988-S992 PolarHBondContact O-N 2.87Å |
| 989 | R | 79.6 | Confident | 73.1 | Confident | 186 Ų | 186 | 109.1 Ų | 109.1 | 70% | 0.702 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67.7 | -51.5 | 175.6 | -157.3 | 172.1 | -168.8 | 159.2 | 3.2 | 111.1 | S985 L986 V987 K991 S992 D993 | S985-R989 PolarHBondContact O-N 2.81Å; L986-R989 WeakPolarHBondContact O-CB 3.31Å; L986-R989 PolarHBondContact O-N 2.82Å; L986-R989 VanDerWaalsContact O-N 3.15Å; V987-R989 VanDerWaalsContact C-N 3.27Å; V987-R989 PolarHBondContact O-N 3.43Å; R989-K991 VanDerWaalsContact C-N 3.26Å; R989-K991 PolarHBondContact O-N 3.48Å; R989-S992 VanDerWaalsContact O-CB 3.28Å; R989-S992 WeakPolarHBondContact O-CB 3.49Å; R989-S992 PolarHBondContact O-N 2.8Å; R989-S992 VanDerWaalsContact O-N 3.1Å; R989-D993 PolarHBondContact O-N 3.31Å; R989-D993 VanDerWaalsContact O-N 3.12Å |
| 990 | Q | 75.6 | Confident | 71.6 | Confident | 108 Ų | 108 | 111.8 Ų | 111.8 | 51% | 0.505 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.4 | -30.1 | 177.6 | -70.9 | 178.5 | -34 | 0 | 0 | 113.6 | L986 V987 D993 L994 | L986-Q990 PolarHBondContact O-N 2.86Å; V987-Q990 PolarHBondContact O-N 2.91Å; Q990-D993 PolarHBondContact O-N 3.2Å; Q990-L994 WeakPolarHBondContact O-CB 3.45Å; Q990-L994 WeakPolarHBondContact O-CG 3.2Å; Q990-L994 PolarHBondContact O-N 3.09Å |
| 991 | K | 73.3 | Confident | 70 | Confident | 136 Ų | 136 | 114.8 Ų | 114.8 | 59% | 0.591 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68 | -43.1 | 172.5 | -81.6 | -171.5 | 172.3 | -169.6 | 0 | 112.9 | V987 R989 D993 L994 E995 | V987-K991 HydrophobicContact CG1-CD 4.48Å; V987-K991 HydrophobicContact CG1-CG 4.48Å; V987-K991 WeakPolarHBondContact O-CB 3.37Å; V987-K991 WeakPolarHBondContact O-CG 3.05Å; V987-K991 PolarHBondContact O-N 2.97Å; R989-K991 VanDerWaalsContact C-N 3.26Å; R989-K991 PolarHBondContact O-N 3.48Å; K991-D993 PolarHBondContact O-N 2.89Å; K991-L994 PolarHBondContact O-N 3.33Å; K991-E995 PolarHBondContact O-N 3.18Å |
| 992 | S | 73.3 | Confident | 68.5 | Low | 47 Ų | 47 | 117.4 Ų | 117.4 | 33% | 0.329 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -52.2 | -47.6 | 170.1 | 142.3 | 0 | 0 | 0 | 0 | 110.7 | S988 R989 L994 E995 Q996 | S988-S992 PolarHBondContact O-N 2.87Å; R989-S992 VanDerWaalsContact O-CB 3.28Å; R989-S992 WeakPolarHBondContact O-CB 3.49Å; R989-S992 PolarHBondContact O-N 2.8Å; R989-S992 VanDerWaalsContact O-N 3.1Å; S992-L994 PolarHBondContact O-N 2.85Å; S992-E995 PolarHBondContact O-N 3.45Å; S992-Q996 WeakPolarHBondContact O-CG 3.42Å; S992-Q996 PolarHBondContact O-N 2.87Å; S992-Q996 PolarHBondContact OG-NE2 2.88Å |
| 993 | D | 73.1 | Confident | 67.5 | Low | 75 Ų | 75 | 114.9 Ų | 114.9 | 40% | 0.401 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71.1 | -36 | -173.3 | -53.2 | -18.6 | 0 | 0 | 0 | 111 | R989 Q990 K991 Q996 L997 | R989-D993 PolarHBondContact O-N 3.31Å; R989-D993 VanDerWaalsContact O-N 3.12Å; Q990-D993 PolarHBondContact O-N 3.2Å; K991-D993 PolarHBondContact O-N 2.89Å; D993-Q996 PolarHBondContact O-N 3.5Å; D993-L997 VanDerWaalsContact O-CG 3.3Å; D993-L997 WeakPolarHBondContact O-CG 3.42Å; D993-L997 PolarHBondContact O-N 3.49Å |
| 994 | L | 68.3 | Low | 65.6 | Low | 110 Ų | 110 | 114.4 Ų | 114.4 | 58% | 0.576 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -69.3 | -33.6 | 172.4 | -78.9 | 171.5 | 0 | 0 | 0 | 113.9 | Q990 K991 S992 L997 R998 | Q990-L994 WeakPolarHBondContact O-CB 3.45Å; Q990-L994 WeakPolarHBondContact O-CG 3.2Å; Q990-L994 PolarHBondContact O-N 3.09Å; K991-L994 PolarHBondContact O-N 3.33Å; S992-L994 PolarHBondContact O-N 2.85Å; L994-L997 PolarHBondContact O-N 2.58Å; L994-R998 PolarHBondContact O-N 2.98Å |
| 995 | E | 68.8 | Low | 64.8 | Low | 143 Ų | 143 | 111.5 Ų | 111.5 | 67% | 0.668 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -69.9 | -40.2 | 173.8 | -74.5 | -179.1 | 165.7 | 0 | 0 | 111.2 | K991 S992 L997 R998 A999 | K991-E995 PolarHBondContact O-N 3.18Å; S992-E995 PolarHBondContact O-N 3.45Å; E995-L997 VanDerWaalsContact C-N 3.27Å; E995-L997 PolarHBondContact O-N 3.29Å; E995-R998 PolarHBondContact O-N 3.23Å; E995-A999 PolarHBondContact O-N 2.93Å |
| 996 | Q | 62.8 | Low | 62.9 | Low | 107 Ų | 107 | 119.6 Ų | 119.6 | 50% | 0.5 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -64.5 | -28.3 | 172.1 | -69.8 | -177.3 | 46.7 | 0 | 0 | 113.5 | S992 D993 K1000 | S992-Q996 WeakPolarHBondContact O-CG 3.42Å; S992-Q996 PolarHBondContact O-N 2.87Å; S992-Q996 PolarHBondContact OG-NE2 2.88Å; D993-Q996 PolarHBondContact O-N 3.5Å; Q996-K1000 WeakPolarHBondContact O-CD 3.46Å; Q996-K1000 WeakPolarHBondContact O-CG 3.48Å |
| 997 | L | 58.2 | Low | 61 | Low | 104 Ų | 104 | 126.6 Ų | 126.6 | 55% | 0.545 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -79.6 | -39.5 | 173.2 | -74.3 | 166.9 | 0 | 0 | 0 | 112.4 | D993 L994 E995 A999 K1000 | D993-L997 VanDerWaalsContact O-CG 3.3Å; D993-L997 WeakPolarHBondContact O-CG 3.42Å; D993-L997 PolarHBondContact O-N 3.49Å; L994-L997 PolarHBondContact O-N 2.58Å; E995-L997 VanDerWaalsContact C-N 3.27Å; E995-L997 PolarHBondContact O-N 3.29Å; L997-A999 PolarHBondContact O-N 3.47Å; L997-K1000 PolarHBondContact O-N 3.33Å |
| 998 | R | 56.6 | Low | 59.5 | Low | 205 Ų | 205 | 134.6 Ų | 134.6 | 77% | 0.774 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -59.5 | -35.3 | 172.5 | -87.3 | -174.8 | 165.8 | -174.6 | -4.1 | 112.5 | L994 E995 K1000 | L994-R998 PolarHBondContact O-N 2.98Å; E995-R998 PolarHBondContact O-N 3.23Å; R998-K1000 PolarHBondContact O-N 2.81Å |
| 999 | A | 56 | Low | 57.7 | Low | 88 Ų | 88 | 139 Ų | 139 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -9.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | E995 L997 | E995-A999 PolarHBondContact O-N 2.93Å; L997-A999 PolarHBondContact O-N 3.47Å |
| 1000 | K | 50.3 | Low | 55.8 | Low | 155 Ų | 155 | 133.2 Ų | 133.2 | 67% | 0.674 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | 0.7 | -176.1 | -67.3 | 173.8 | -176 | 173.7 | 0 | 114.1 | Q996 L997 R998 | Q996-K1000 WeakPolarHBondContact O-CD 3.46Å; Q996-K1000 WeakPolarHBondContact O-CG 3.48Å; L997-K1000 PolarHBondContact O-N 3.33Å; R998-K1000 PolarHBondContact O-N 2.81Å |
| 1001 | L | 45.8 | Very low | 54.7 | Low | 129 Ų | 129 | 133.1 Ų | 133.1 | 68% | 0.675 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -88.6 | 124.8 | 174 | -84 | 163.8 | 0 | 0 | 0 | 110.9 | G1003 | L1001-G1003 PolarHBondContact O-N 3.05Š|
| 1002 | P | 46.3 | Very low | 53.6 | Low | 134 Ų | 134 | 130.7 Ų | 130.7 | 87% | 0.87 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -76.4 | 88.8 | 178 | 30.9 | -34 | 0 | 0 | 0 | 111 | ||
| 1003 | G | 62 | Low | 52.4 | Low | 78 Ų | 78 | 136.8 Ų | 136.8 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | trans | 173.4 | 51.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1001 | L1001-G1003 PolarHBondContact O-N 3.05Š| ||
| 1004 | A | 37.5 | Very low | 51.5 | Low | 90 Ų | 90 | 136.6 Ų | 136.6 | 74% | 0.744 | 71% | 0.706 | S | S | * | * | trans | -146.7 | 157.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1005 | P | 60.8 | Low | 50.5 | Low | 121 Ų | 121 | 140.3 Ų | 140.3 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | -125.4 | 162.9 | -120.5 | 41.7 | -33.4 | 0 | 0 | 0 | 117 | |||||
| 1006 | R | 39.1 | Very low | 49.5 | Very low | 247 Ų | 247 | 142.2 Ų | 142.2 | 93% | 0.932 | 73% | 0.727 | S | S | * | * | trans | -154.7 | 146.1 | 158.4 | -94.4 | 147.4 | -171.1 | -139 | 0.7 | 107.2 | ||||
| 1007 | R | 39.8 | Very low | 48.3 | Very low | 241 Ų | 241 | 143.9 Ų | 143.9 | 91% | 0.909 | 74% | 0.739 | S | S | * | * | cis | -145.4 | 153.3 | 12.1 | -146.5 | 177.2 | -170.7 | 172.8 | 0.6 | 109.5 | ||||
| 1008 | R | 47.6 | Very low | 47.3 | Very low | 239 Ų | 239 | 145.1 Ų | 145.1 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | trans | -93.8 | 170.6 | 165.3 | -84.7 | -170.9 | 173.6 | -142.1 | -0.4 | 110.6 | ||||
| 1009 | F | 37.5 | Very low | 46.6 | Very low | 177 Ų | 177 | 144.1 Ų | 144.1 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | 80.5 | 146.7 | 170.5 | -131 | -130.9 | 0 | 0 | 0 | 114.1 | ||||
| 1010 | D | 39.9 | Very low | 45.7 | Very low | 63 Ų | 63 | 149.6 Ų | 149.6 | 34% | 0.337 | 76% | 0.759 | S | S | . | * | cis | -150 | 126.2 | 25.9 | -172.8 | -20.4 | 0 | 0 | 0 | 113 | S1012 | D1010-S1012 VanDerWaalsContact C-N 3.32Å; D1010-S1012 PolarHBondContact O-N 3.06Å; D1010-S1012 WeakPolarHBondContact OD1-CB 3.47Å; D1010-S1012 PolarHBondContact OD1-N 3.28Å; D1010-S1012 PolarHBondContact OD1-OG 2.92Å; D1010-S1012 PolarHBondContact OD2-OG 3.2Å | ||
| 1011 | P | 51.1 | Low | 45.2 | Very low | 107 Ų | 107 | 149.2 Ų | 149.2 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -68.3 | -21.2 | 176.2 | -19.5 | 33 | 0 | 0 | 0 | 115.4 | K1013 | P1011-K1013 PolarHBondContact O-N 3.31Å; P1011-K1013 VanDerWaalsContact O-N 3.14Å |
| 1012 | S | 50.7 | Low | 44.7 | Very low | 85 Ų | 85 | 149.7 Ų | 149.7 | 59% | 0.594 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -72.5 | -4.7 | -172.6 | 66.9 | 0 | 0 | 0 | 0 | 114.6 | D1010 | D1010-S1012 VanDerWaalsContact C-N 3.32Å; D1010-S1012 PolarHBondContact O-N 3.06Å; D1010-S1012 WeakPolarHBondContact OD1-CB 3.47Å; D1010-S1012 PolarHBondContact OD1-N 3.28Å; D1010-S1012 PolarHBondContact OD1-OG 2.92Å; D1010-S1012 PolarHBondContact OD2-OG 3.2Å |
| 1013 | K | 49.1 | Very low | 44.3 | Very low | 174 Ų | 174 | 151.3 Ų | 151.3 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -93.6 | 1.2 | -179.7 | -67.6 | -166 | 172.3 | -167.3 | 0 | 115.4 | P1011 F1015 | P1011-K1013 PolarHBondContact O-N 3.31Å; P1011-K1013 VanDerWaalsContact O-N 3.14Å; K1013-F1015 PolarHBondContact O-N 3.29Å |
| 1014 | A | 52.8 | Low | 43 | Very low | 71 Ų | 71 | 152.4 Ų | 152.4 | 59% | 0.587 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -69.7 | -28.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1015 | F | 48.8 | Very low | 42.8 | Very low | 188 Ų | 188 | 154 Ų | 154 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | trans | -143.5 | 75.5 | -170.5 | -62.6 | -73.5 | 0 | 0 | 0 | 113.3 | K1013 | K1013-F1015 PolarHBondContact O-N 3.29Š| ||
| 1016 | Q | 46.2 | Very low | 41.5 | Very low | 184 Ų | 184 | 155 Ų | 155 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | trans | -131.9 | 128.8 | 160.2 | -73.5 | -166.4 | -14 | 0 | 0 | 110.9 | ||||
| 1017 | N | 38.3 | Very low | 41.3 | Very low | 141 Ų | 141 | 149.7 Ų | 149.7 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | trans | -79.4 | 153 | -165.1 | -49.4 | -49.6 | 0 | 0 | 0 | 113.2 | ||||
| 1018 | N | 36.8 | Very low | 41.1 | Very low | 130 Ų | 130 | 145.5 Ų | 145.5 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | 177.1 | 121.4 | 100.4 | -87.7 | -51.5 | 0 | 0 | 0 | 109.2 | |||||
| 1019 | K | 42 | Very low | 41 | Very low | 185 Ų | 185 | 139.5 Ų | 139.5 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | 57.4 | 109.1 | 97.8 | -65.2 | -175 | -178.2 | -177.7 | 0 | 114.2 | |||||
| 1020 | E | 37 | Very low | 40.9 | Very low | 203 Ų | 203 | 139.9 Ų | 139.9 | 95% | 0.949 | 74% | 0.74 | S | S | * | * | -153.4 | 159.7 | 107.6 | -114.3 | 163.4 | -155.7 | 0 | 0 | 110.6 | |||||
| 1021 | N | 39.3 | Very low | 40.8 | Very low | 146 Ų | 146 | 140 Ų | 140 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | trans | -143.5 | 118.9 | -174.7 | 161.7 | 50.9 | 0 | 0 | 0 | 107 | ||||
| 1022 | I | 37.1 | Very low | 39.9 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | trans | 174.8 | 129.5 | 162.7 | -101 | 153.1 | 0 | 0 | 0 | 110.7 | ||||
| 1023 | Q | 36.3 | Very low | 39.3 | Very low | 168 Ų | 168 | 143.5 Ų | 143.5 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | 64.4 | 160 | 150.7 | -74.8 | 168.4 | -2.3 | 0 | 0 | 120 | ||||
| 1024 | T | 35.8 | Very low | 38.7 | Very low | 101 Ų | 101 | 142.5 Ų | 142.5 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | cis | -152.6 | 156.6 | -2 | 7.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1025 | D | 33.7 | Very low | 37.8 | Very low | 125 Ų | 125 | 147.2 Ų | 147.2 | 67% | 0.668 | 78% | 0.782 | S | S | * | * | trans | 40.4 | 130.2 | 141.7 | -46 | -14.9 | 0 | 0 | 0 | 123.6 | ||||
| 1026 | T | 33.3 | Very low | 37.4 | Very low | 142 Ų | 142 | 147 Ų | 147 | 87% | 0.871 | 78% | 0.781 | S | S | * | * | -142.8 | 95.7 | 118.9 | 53.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1027 | N | 34.3 | Very low | 36.9 | Very low | 134 Ų | 134 | 151.1 Ų | 151.1 | 72% | 0.717 | 80% | 0.801 | S | S | * | * | trans | 16.1 | 129.9 | 147.4 | -52.6 | -8.4 | 0 | 0 | 0 | 121.6 | ||||
| 1028 | D | 35 | Very low | 36.8 | Very low | 154 Ų | 154 | 151.7 Ų | 151.7 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | 29.1 | 156.6 | 114.9 | -73.5 | -11.5 | 0 | 0 | 0 | 122.7 | |||||
| 1029 | P | 45.7 | Very low | 36.8 | Very low | 113 Ų | 113 | 152.8 Ų | 152.8 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | cis | -130.8 | 173.6 | -9.8 | 36.6 | -19.6 | 0 | 0 | 0 | 114.7 | ||||
| 1030 | L | 36.6 | Very low | 36.5 | Very low | 185 Ų | 185 | 151 Ų | 151 | 97% | 0.969 | 81% | 0.809 | S | S | * | * | trans | -124.4 | 110.2 | 155.9 | -87.8 | 169.9 | 0 | 0 | 0 | 109.1 | ||||
| 1031 | G | 37.9 | Very low | 36.5 | Very low | 66 Ų | 66 | 147.9 Ų | 147.9 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | trans | -169 | 128.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1032 | E | 32.4 | Very low | 36.3 | Very low | 204 Ų | 204 | 148.1 Ų | 148.1 | 95% | 0.953 | 80% | 0.802 | S | S | * | * | trans | 62.1 | 146.5 | 174.3 | -56 | -178.3 | 176.9 | 0 | 0 | 116.8 | ||||
| 1033 | G | 37.5 | Very low | 36.3 | Very low | 61 Ų | 61 | 148.7 Ų | 148.7 | 63% | 0.629 | 81% | 0.808 | S | S | * | * | cis | 128.6 | 47.2 | -7.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1034 | N | 36 | Very low | 36.3 | Very low | 153 Ų | 153 | 147.3 Ų | 147.3 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -171.9 | 136.7 | 152.8 | -107.1 | -58.4 | 0 | 0 | 0 | 113.2 | ||||
| 1035 | H | 34.3 | Very low | 36.3 | Very low | 169 Ų | 169 | 150.8 Ų | 150.8 | 78% | 0.782 | 82% | 0.824 | S | S | * | * | trans | 159.6 | 113.3 | 145.5 | -86.8 | -63.9 | 0 | 0 | 0 | 105.1 | ||||
| 1036 | K | 40.5 | Very low | 36.5 | Very low | 183 Ų | 183 | 153 Ų | 153 | 80% | 0.796 | 84% | 0.837 | S | S | * | * | 50.5 | 117.8 | 86.5 | -67 | -169 | 175.7 | -171.7 | 0 | 111 | |||||
| 1037 | E | 34.8 | Very low | 36.8 | Very low | 272 Ų | 272 | 154 Ų | 154 | 100% | 1.271 | 83% | 0.834 | S | S | * | * | cis | -108.6 | 0 | 20 | -66 | 175.8 | 131.7 | 0 | 0 | 114.6 |
Retrieved 1,037 of 1,037 residues in 5027.7 ms
(Link to these results)