| 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 | 41.6 | Very low | 42 | Very low | 246 Ų | 246 | 159.4 Ų | 159.4 | 100% | 1.212 | 87% | 0.869 | S | S | * | * | 0 | 117 | 0 | -80.7 | 175.3 | 170.6 | 0 | 0 | 107.8 | |||||
| 2 | S | 38.4 | Very low | 42.5 | Very low | 123 Ų | 123 | 156.8 Ų | 156.8 | 86% | 0.86 | 87% | 0.867 | S | S | * | * | trans | 27.8 | 114.9 | 165.5 | -55.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 3 | C | 40.2 | Very low | 42.4 | Very low | 123 Ų | 123 | 156.7 Ų | 156.7 | 83% | 0.831 | 86% | 0.862 | S | S | * | * | trans | -21.8 | 141.5 | 151.6 | -65.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 4 | C | 44.4 | Very low | 42.2 | Very low | 131 Ų | 131 | 156.4 Ų | 156.4 | 89% | 0.885 | 86% | 0.858 | S | S | * | * | -166 | 93.7 | 117.1 | -100.4 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 5 | F | 42.5 | Very low | 42.4 | Very low | 213 Ų | 213 | 153.1 Ų | 153.1 | 93% | 0.934 | 85% | 0.847 | S | S | * | * | trans | -61.3 | 130.4 | 153 | -103.7 | -103.2 | 0 | 0 | 0 | 108.3 | ||||
| 6 | R | 44.3 | Very low | 42.3 | Very low | 248 Ų | 248 | 154.2 Ų | 154.2 | 94% | 0.936 | 85% | 0.85 | S | S | * | * | trans | -113 | 118.3 | 160.7 | -111.2 | -175.8 | -179.6 | -161.9 | 0.3 | 108.9 | ||||
| 7 | S | 40.8 | Very low | 42 | Very low | 110 Ų | 110 | 156.9 Ų | 156.9 | 77% | 0.769 | 85% | 0.852 | S | S | * | * | trans | -68.3 | 139.4 | -174.7 | -157.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 8 | I | 45 | Very low | 41.8 | Very low | 164 Ų | 164 | 154.4 Ų | 154.4 | 84% | 0.841 | 85% | 0.848 | S | S | * | * | trans | -63.3 | 131.8 | 158.7 | -66.5 | 160.3 | 0 | 0 | 0 | 107.5 | ||||
| 9 | S | 36.5 | Very low | 41.5 | Very low | 113 Ų | 113 | 151.6 Ų | 151.6 | 79% | 0.79 | 85% | 0.847 | S | S | * | * | trans | -142.7 | 113.2 | 166.8 | 62.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 10 | E | 41.4 | Very low | 41.6 | Very low | 180 Ų | 180 | 148.6 Ų | 148.6 | 84% | 0.841 | 84% | 0.842 | S | S | * | * | trans | -94.9 | 170.9 | 165.6 | -131.3 | -173.4 | 179.8 | 0 | 0 | 109.1 | ||||
| 11 | P | 46.7 | Very low | 41.3 | Very low | 102 Ų | 102 | 150.6 Ų | 150.6 | 66% | 0.662 | 84% | 0.844 | S | S | * | * | -110.9 | 175.3 | -103.2 | 37.8 | -24.1 | 0 | 0 | 0 | 113.5 | |||||
| 12 | P | 47.8 | Very low | 41.2 | Very low | 129 Ų | 129 | 150.2 Ų | 150.2 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | trans | -94.9 | 142.6 | 165 | 34.3 | -25.6 | 0 | 0 | 0 | 112.4 | ||||
| 13 | L | 42.2 | Very low | 41.1 | Very low | 155 Ų | 155 | 151.1 Ų | 151.1 | 81% | 0.812 | 83% | 0.83 | S | S | * | * | trans | -85.5 | 152.9 | 176 | -71.6 | 164.2 | 0 | 0 | 0 | 112.6 | ||||
| 14 | L | 38.8 | Very low | 40.9 | Very low | 153 Ų | 153 | 149.7 Ų | 149.7 | 80% | 0.801 | 82% | 0.821 | S | S | * | * | trans | 91.1 | 151.9 | 155.4 | -49.8 | -174.7 | 0 | 0 | 0 | 118.6 | ||||
| 15 | P | 45.6 | Very low | 40.7 | Very low | 107 Ų | 107 | 148 Ų | 148 | 70% | 0.695 | 82% | 0.817 | S | S | * | * | cis | -127.6 | 159.4 | -0.1 | 29.5 | -8.6 | 0 | 0 | 0 | 116.2 | F17 | P15-F17 PolarHBondContact O-N 2.85Š| ||
| 16 | L | 41.5 | Very low | 40.3 | Very low | 170 Ų | 170 | 143.7 Ų | 143.7 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | trans | -56.3 | 123 | 163.4 | -77.8 | 136.2 | 0 | 0 | 0 | 111.7 | ||||
| 17 | F | 35.7 | Very low | 40.2 | Very low | 201 Ų | 201 | 139.3 Ų | 139.3 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | -112.1 | 111.3 | 154.1 | -102.9 | -86.3 | 0 | 0 | 0 | 109.1 | P15 A19 | P15-F17 PolarHBondContact O-N 2.85Å; F17-A19 PolarHBondContact O-N 3.15Å | ||
| 18 | S | 39.8 | Very low | 39.8 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -75.5 | 107.6 | 168.6 | 151.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 19 | A | 35.4 | Very low | 39.5 | Very low | 101 Ų | 101 | 139.6 Ų | 139.6 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | -108.4 | 97.5 | 157.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | F17 | F17-A19 PolarHBondContact O-N 3.15Š| ||
| 20 | A | 44 | Very low | 39.3 | Very low | 91 Ų | 91 | 139.6 Ų | 139.6 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -79.9 | 110.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 21 | E | 34.2 | Very low | 39.1 | Very low | 191 Ų | 191 | 135.8 Ų | 135.8 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | trans | -132.5 | 112.7 | 160.4 | -112.7 | 170.7 | 179.6 | 0 | 0 | 109.6 | T23 | E21-T23 PolarHBondContact O-N 2.82Š| ||
| 22 | R | 40.3 | Very low | 38.7 | Very low | 238 Ų | 238 | 137.7 Ų | 137.7 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | -65.8 | 117.5 | 179.5 | -69.2 | 171.1 | -178.1 | -164.4 | -1.3 | 108.5 | S24 | R22-S24 VanDerWaalsContact C-N 3.26Å; R22-S24 PolarHBondContact O-N 3.04Å | ||
| 23 | T | 36.3 | Very low | 38.3 | Very low | 143 Ų | 143 | 137.7 Ų | 137.7 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | -72.5 | 87.6 | 159.1 | 50.3 | 0 | 0 | 0 | 0 | 108.3 | E21 A25 | E21-T23 PolarHBondContact O-N 2.82Å; T23-A25 PolarHBondContact O-N 2.85Å | ||
| 24 | S | 36.8 | Very low | 37.9 | Very low | 92 Ų | 92 | 135.6 Ų | 135.6 | 64% | 0.643 | 80% | 0.797 | S | S | * | * | trans | -68.4 | 118.1 | 162.9 | 49.4 | 0 | 0 | 0 | 0 | 108.7 | R22 T26 | R22-S24 VanDerWaalsContact C-N 3.26Å; R22-S24 PolarHBondContact O-N 3.04Å; S24-T26 PolarHBondContact O-N 3.42Å | ||
| 25 | A | 39.7 | Very low | 37.4 | Very low | 95 Ų | 95 | 134.3 Ų | 134.3 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -63.6 | 102.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | T23 M27 | T23-A25 PolarHBondContact O-N 2.85Å; A25-M27 PolarHBondContact O-N 3.01Å | ||
| 26 | T | 34.6 | Very low | 37.1 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | -82.5 | 94.8 | 164 | 25.8 | 0 | 0 | 0 | 0 | 108.6 | S24 S28 | S24-T26 PolarHBondContact O-N 3.42Å; T26-S28 PolarHBondContact O-N 3.05Å; T26-S28 VanDerWaalsContact O-N 3.09Å | ||
| 27 | M | 40.5 | Very low | 36.8 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 77% | 0.768 | 79% | 0.793 | S | S | * | * | trans | -63.7 | 96 | 157.2 | -78.7 | -84.5 | 124.3 | 0 | 0 | 108.3 | A25 H29 | A25-M27 PolarHBondContact O-N 3.01Å; M27-H29 PolarHBondContact O-N 3.31Å; M27-H29 VanDerWaalsContact O-N 3.08Å | ||
| 28 | S | 34.1 | Very low | 36.8 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -76.1 | 93.5 | 167.4 | -66.2 | 0 | 0 | 0 | 0 | 108.8 | T26 S30 | T26-S28 PolarHBondContact O-N 3.05Å; T26-S28 VanDerWaalsContact O-N 3.09Å; S28-S30 PolarHBondContact O-N 3.27Å; S28-S30 VanDerWaalsContact O-N 3.13Å | ||
| 29 | H | 37.6 | Very low | 36.7 | Very low | 167 Ų | 167 | 142.2 Ų | 142.2 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -62.8 | 102.6 | 162.1 | -70.6 | -88 | 0 | 0 | 0 | 109 | M27 S31 | M27-H29 PolarHBondContact O-N 3.31Å; M27-H29 VanDerWaalsContact O-N 3.08Å; H29-S31 PolarHBondContact O-N 2.95Å | ||
| 30 | S | 33.1 | Very low | 36.9 | Very low | 113 Ų | 113 | 142.7 Ų | 142.7 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -79.6 | 101.5 | 158.5 | 55.6 | 0 | 0 | 0 | 0 | 107.9 | S28 V32 | S28-S30 PolarHBondContact O-N 3.27Å; S28-S30 VanDerWaalsContact O-N 3.13Å; S30-V32 PolarHBondContact O-N 3.48Å | ||
| 31 | S | 36.8 | Very low | 36.6 | Very low | 99 Ų | 99 | 148.2 Ų | 148.2 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | trans | -50.4 | 126.9 | 171.8 | 11.4 | 0 | 0 | 0 | 0 | 111.3 | H29 T33 | H29-S31 PolarHBondContact O-N 2.95Å; S31-T33 PolarHBondContact O-N 3.46Å | ||
| 32 | V | 38.8 | Very low | 36.5 | Very low | 142 Ų | 142 | 142.9 Ų | 142.9 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | -65.4 | 95.6 | 166.8 | -175.4 | 0 | 0 | 0 | 0 | 107.9 | S30 S34 | S30-V32 PolarHBondContact O-N 3.48Å; V32-S34 PolarHBondContact O-N 2.83Å | ||
| 33 | T | 38 | Very low | 36.2 | Very low | 130 Ų | 130 | 137.1 Ų | 137.1 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | trans | -78.6 | 95.7 | 163.9 | 28.4 | 0 | 0 | 0 | 0 | 108.6 | S31 T35 | S31-T33 PolarHBondContact O-N 3.46Å; T33-T35 PolarHBondContact O-N 3.47Å | ||
| 34 | S | 33.7 | Very low | 36.8 | Very low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -48 | 114.3 | 160.5 | -178.3 | 0 | 0 | 0 | 0 | 109.9 | V32 | V32-S34 PolarHBondContact O-N 2.83Š| ||
| 35 | T | 29.8 | Very low | 36.8 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | trans | -107.9 | 106 | 164.9 | 175.7 | 0 | 0 | 0 | 0 | 108.1 | T33 Y37 | T33-T35 PolarHBondContact O-N 3.47Å; T35-Y37 PolarHBondContact O-N 3.25Å | ||
| 36 | S | 39.2 | Very low | 37.1 | Very low | 109 Ų | 109 | 141.8 Ų | 141.8 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -81.8 | 95.7 | 175.7 | 57.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 37 | Y | 34.5 | Very low | 37.2 | Very low | 197 Ų | 197 | 143.9 Ų | 143.9 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -112.9 | 99.9 | 158.9 | -129.7 | -92.3 | 0 | 0 | 0 | 108.8 | T35 R39 | T35-Y37 PolarHBondContact O-N 3.25Å; Y37-R39 HydrophobicContact CD1-CG 4.44Å; Y37-R39 HydrophobicContact CE1-CG 4.38Å | ||
| 38 | R | 35.8 | Very low | 36.7 | Very low | 245 Ų | 245 | 141.7 Ų | 141.7 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | trans | -93.5 | 116 | 166.2 | -95.3 | -164.3 | 179 | -121.2 | 3.2 | 108.7 | ||||
| 39 | R | 37.6 | Very low | 36.7 | Very low | 204 Ų | 204 | 143.9 Ų | 143.9 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | -137.2 | 92.7 | 154.9 | -76.1 | -172.4 | 162.8 | -141 | -3.2 | 106.5 | Y37 | Y37-R39 HydrophobicContact CD1-CG 4.44Å; Y37-R39 HydrophobicContact CE1-CG 4.38Å | ||
| 40 | T | 39.5 | Very low | 36.5 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 68% | 0.681 | 80% | 0.798 | S | S | * | * | 50.9 | 98.7 | 103.2 | 61.2 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 41 | F | 37.3 | Very low | 36.5 | Very low | 207 Ų | 207 | 140 Ų | 140 | 91% | 0.908 | 79% | 0.792 | S | S | * | * | trans | -153.2 | 112.3 | 132.2 | -79.1 | -66.1 | 0 | 0 | 0 | 108.7 | ||||
| 42 | G | 33.5 | Very low | 36.3 | Very low | 79 Ų | 79 | 145.6 Ų | 145.6 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | -79.5 | 148.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 43 | S | 34.1 | Very low | 36 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -116.7 | 172.3 | 167.7 | -59.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 44 | P | 48.5 | Very low | 36.9 | Very low | 119 Ų | 119 | 143 Ų | 143 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | -122.9 | 153.3 | -83.4 | 28.1 | -9.4 | 0 | 0 | 0 | 111.1 | |||||
| 45 | H | 36.7 | Very low | 36.8 | Very low | 184 Ų | 184 | 144.1 Ų | 144.1 | 85% | 0.852 | 79% | 0.792 | S | S | * | * | trans | -110.6 | 146.5 | 165.5 | -75.7 | -34.9 | 0 | 0 | 0 | 110.5 | ||||
| 46 | P | 46.1 | Very low | 36.9 | Very low | 126 Ų | 126 | 143 Ų | 143 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -82.8 | 143.4 | -167.1 | 34.1 | -33.7 | 0 | 0 | 0 | 110.9 | ||||
| 47 | I | 35.7 | Very low | 36.6 | Very low | 166 Ų | 166 | 143.9 Ų | 143.9 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -117.4 | 123.1 | 170.7 | -59.4 | 178 | 0 | 0 | 0 | 109.3 | ||||
| 48 | S | 31 | Very low | 36.7 | Very low | 110 Ų | 110 | 145 Ų | 145 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -70.6 | 143 | 172 | -180 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 49 | L | 33.7 | Very low | 36.8 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | -58.3 | 144.2 | 161.7 | -87.8 | 77.3 | 0 | 0 | 0 | 110.8 | ||||
| 50 | S | 32.4 | Very low | 37.2 | Very low | 104 Ų | 104 | 135.4 Ų | 135.4 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | 165.1 | 121.9 | 112 | -166.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 51 | S | 33.8 | Very low | 37 | Very low | 94 Ų | 94 | 138 Ų | 138 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | 79.3 | 142.2 | 128.8 | 65.8 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 52 | Y | 31.9 | Very low | 36.8 | Very low | 216 Ų | 216 | 134 Ų | 134 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | trans | 85.8 | 97.2 | 156.2 | -81.2 | -83.8 | 0 | 0 | 0 | 121.4 | ||||
| 53 | S | 32.5 | Very low | 36.6 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | 53.9 | 163.9 | 104.4 | -111.6 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 54 | P | 58.5 | Low | 36.5 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | -124.9 | 160.8 | -121.3 | 32.6 | -10.6 | 0 | 0 | 0 | 114.9 | |||||
| 55 | V | 31.6 | Very low | 36 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | trans | -150.4 | 108.9 | 168.6 | 178.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 56 | S | 31.3 | Very low | 35.8 | Very low | 104 Ų | 104 | 138.7 Ų | 138.7 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | 58.3 | 106.9 | 79.6 | -128.3 | 0 | 0 | 0 | 0 | 115 | |||||
| 57 | S | 33.4 | Very low | 35.4 | Very low | 127 Ų | 127 | 136.4 Ų | 136.4 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | -126.6 | 123.1 | 165.1 | -55.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 58 | R | 36.3 | Very low | 35.3 | Very low | 219 Ų | 219 | 140.6 Ų | 140.6 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -96.4 | 137.6 | -178.6 | -73.4 | -179.1 | 177.5 | -152.1 | 0.2 | 111.8 | ||||
| 59 | L | 37.1 | Very low | 35.5 | Very low | 138 Ų | 138 | 140.6 Ų | 140.6 | 72% | 0.723 | 79% | 0.793 | S | S | * | * | trans | 60.3 | 167.4 | 131.7 | -63.9 | 166.8 | 0 | 0 | 0 | 120.4 | ||||
| 60 | P | 46.9 | Very low | 35.9 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | cis | -139.2 | 164.8 | 5.7 | 30.3 | -6.4 | 0 | 0 | 0 | 119.1 | ||||
| 61 | M | 35.5 | Very low | 36 | Very low | 164 Ų | 164 | 138 Ų | 138 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | trans | 38.7 | 124.7 | 136.4 | -58.8 | -70 | 100.9 | 0 | 0 | 124 | ||||
| 62 | S | 32.5 | Very low | 36.3 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | 177.8 | 120.2 | 117.9 | -169.7 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 63 | G | 29.8 | Very low | 36.5 | Very low | 78 Ų | 78 | 134 Ų | 134 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | 109.1 | 105 | 74.2 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 64 | G | 31.3 | Very low | 36.7 | Very low | 63 Ų | 63 | 135.6 Ų | 135.6 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | trans | 176.3 | 89.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 65 | R | 37.1 | Very low | 35.6 | Very low | 233 Ų | 233 | 137 Ų | 137 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | -72.6 | 132.9 | 172.8 | -63.9 | 174.4 | -176.4 | -152.9 | -0.5 | 110.1 | ||||
| 66 | Y | 34 | Very low | 35.7 | Very low | 222 Ų | 222 | 135.1 Ų | 135.1 | 87% | 0.871 | 81% | 0.811 | S | S | * | * | trans | -149.8 | 118.2 | 143.2 | -47.2 | -79.6 | 0 | 0 | 0 | 108.6 | ||||
| 67 | G | 36.8 | Very low | 35.8 | Very low | 78 Ų | 78 | 140.2 Ų | 140.2 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -72.4 | 152.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 68 | R | 33.6 | Very low | 35.8 | Very low | 253 Ų | 253 | 139.7 Ų | 139.7 | 96% | 0.955 | 81% | 0.811 | S | S | * | * | trans | -127.3 | 120.6 | 159.1 | -99 | -176.8 | 175 | -117.7 | 1.5 | 109.8 | ||||
| 69 | S | 36.4 | Very low | 35.6 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 143.2 | 175.3 | 40.6 | 0 | 0 | 0 | 0 | 111.8 | ||
| 70 | A | 40.6 | Very low | 35.4 | Very low | 96 Ų | 96 | 135.9 Ų | 135.9 | 79% | 0.793 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 144.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 71 | S | 34.5 | Very low | 34.6 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 136.7 | 166.4 | -62.8 | 0 | 0 | 0 | 0 | 109.6 | ||
| 72 | P | 41.1 | Very low | 34.5 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 148.7 | 174.8 | 27.8 | -20.6 | 0 | 0 | 0 | 111.8 | ||
| 73 | A | 35.2 | Very low | 34.4 | Very low | 101 Ų | 101 | 142.5 Ų | 142.5 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 145.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 74 | V | 36.2 | Very low | 34.6 | Very low | 141 Ų | 141 | 147.4 Ų | 147.4 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 136.5 | 175.6 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | ||
| 75 | T | 35.5 | Very low | 34.4 | Very low | 141 Ų | 141 | 155.7 Ų | 155.7 | 87% | 0.865 | 83% | 0.83 | S | S | * | * | trans | -112.6 | 137.6 | 164.4 | 35.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 76 | A | 34.8 | Very low | 34.2 | Very low | 95 Ų | 95 | 148.7 Ų | 148.7 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | trans | -105 | 150 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 77 | R | 33.3 | Very low | 34.2 | Very low | 211 Ų | 211 | 149.4 Ų | 149.4 | 80% | 0.796 | 82% | 0.818 | S | S | * | * | trans | -170.5 | 113.2 | 148.3 | -107.4 | 177.9 | 168.1 | -160.4 | -4 | 107.7 | ||||
| 78 | S | 32.5 | Very low | 34.4 | Very low | 116 Ų | 116 | 151.7 Ų | 151.7 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | 75.6 | 98.8 | 81.8 | -64.9 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 79 | T | 33 | Very low | 35 | Very low | 132 Ų | 132 | 143.8 Ų | 143.8 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | -84.4 | 137 | 162.8 | 21.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 80 | T | 32.6 | Very low | 35.4 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -147.7 | 131 | 156.3 | -10.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 81 | Y | 30.4 | Very low | 35.2 | Very low | 193 Ų | 193 | 148.9 Ų | 148.9 | 76% | 0.757 | 81% | 0.813 | S | S | * | * | trans | -75.9 | 141.9 | 175.3 | -80.9 | -101 | 0 | 0 | 0 | 111.6 | ||||
| 82 | H | 32.9 | Very low | 35.6 | Very low | 165 Ų | 165 | 148 Ų | 148 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | 132.4 | 143.8 | 95.8 | -105.1 | -22.7 | 0 | 0 | 0 | 104.9 | |||||
| 83 | Q | 31 | Very low | 35.9 | Very low | 181 Ų | 181 | 148 Ų | 148 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | -174.9 | 155 | 63.5 | -141.9 | -178.8 | 76.8 | 0 | 0 | 109.8 | |||||
| 84 | Q | 34 | Very low | 36.1 | Very low | 181 Ų | 181 | 154.7 Ų | 154.7 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | -62.2 | 159.4 | 177.5 | -61.3 | 165 | -25.9 | 0 | 0 | 114.1 | ||||
| 85 | R | 28 | Very low | 36.2 | Very low | 237 Ų | 237 | 156.2 Ų | 156.2 | 89% | 0.894 | 82% | 0.819 | S | S | * | * | -175.8 | 112.4 | 118.6 | -161.3 | 155.7 | -176.3 | -120.8 | 3.1 | 115.1 | |||||
| 86 | S | 31.3 | Very low | 36.5 | Very low | 87 Ų | 87 | 155.2 Ų | 155.2 | 61% | 0.608 | 82% | 0.817 | S | S | * | * | trans | 18.3 | 129.9 | 143.7 | 64.6 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 87 | R | 35.6 | Very low | 37 | Very low | 237 Ų | 237 | 161 Ų | 161 | 89% | 0.894 | 82% | 0.821 | S | S | * | * | 72.9 | 149.1 | 126.5 | -84.3 | -174 | 175 | -173.5 | -0.5 | 120.3 | |||||
| 88 | P | 39.9 | Very low | 37.3 | Very low | 125 Ų | 125 | 157.9 Ų | 157.9 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | cis | -137.7 | 171.8 | 46.6 | 33.4 | -11 | 0 | 0 | 0 | 118.3 | ||||
| 89 | A | 46 | Very low | 38 | Very low | 88 Ų | 88 | 161.2 Ų | 161.2 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | trans | -79.5 | 163 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 90 | P | 44.6 | Very low | 38.8 | Very low | 121 Ų | 121 | 160.9 Ų | 160.9 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | trans | -134.3 | 130.8 | 134 | 31.9 | -16.2 | 0 | 0 | 0 | 114.6 | ||||
| 91 | Q | 37.2 | Very low | 39.9 | Very low | 192 Ų | 192 | 159.7 Ų | 159.7 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | trans | 39.6 | 132 | 141 | -63.7 | -175 | -2.1 | 0 | 0 | 123.3 | ||||
| 92 | A | 43.2 | Very low | 41.1 | Very low | 94 Ų | 94 | 158.7 Ų | 158.7 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | trans | -72.9 | 153.6 | 172 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 93 | P | 46 | Very low | 42.6 | Very low | 126 Ų | 126 | 155.6 Ų | 155.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -103.3 | 114.3 | 151.1 | 25.7 | -9.6 | 0 | 0 | 0 | 111.1 | ||||
| 94 | R | 39.7 | Very low | 44 | Very low | 241 Ų | 241 | 152.5 Ų | 152.5 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | 20.6 | 122.1 | 147.3 | -63.6 | -171.2 | 172.4 | -167.5 | -2.6 | 119.9 | S96 | R94-S96 PolarHBondContact O-N 2.8Š| ||
| 95 | L | 38.4 | Very low | 45.4 | Very low | 174 Ų | 174 | 147 Ų | 147 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | trans | -39.4 | 120.5 | 156.6 | -65.2 | 159 | 0 | 0 | 0 | 112.7 | ||||
| 96 | S | 42.7 | Very low | 47.2 | Very low | 119 Ų | 119 | 141 Ų | 141 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | -105.9 | 117.6 | 147.5 | 179.6 | 0 | 0 | 0 | 0 | 106.2 | R94 D98 | R94-S96 PolarHBondContact O-N 2.8Å; S96-D98 PolarHBondContact O-N 2.82Å | ||
| 97 | Y | 44.7 | Very low | 49 | Very low | 217 Ų | 217 | 139.2 Ų | 139.2 | 85% | 0.851 | 75% | 0.745 | S | S | * | * | trans | -76.9 | 106.1 | -176.4 | -156.7 | -89.6 | 0 | 0 | 0 | 108.8 | ||||
| 98 | D | 38.8 | Very low | 50.7 | Low | 145 Ų | 145 | 132.8 Ų | 132.8 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | trans | -162.4 | 127.2 | 147.4 | -117.3 | -18.6 | 0 | 0 | 0 | 112.4 | S96 | S96-D98 PolarHBondContact O-N 2.82Š| ||
| 99 | K | 47.2 | Very low | 52.3 | Low | 186 Ų | 186 | 130.6 Ų | 130.6 | 81% | 0.809 | 71% | 0.709 | S | S | * | * | trans | 62.9 | 120.5 | 171.9 | -75 | 177.4 | 174.6 | 179 | 0 | 119.6 | ||||
| 100 | V | 51.1 | Low | 53.7 | Low | 125 Ų | 125 | 132.3 Ų | 132.3 | 76% | 0.758 | 70% | 0.702 | S | S | * | * | trans | -83.6 | 108.4 | 169.5 | -136.4 | 0 | 0 | 0 | 0 | 108.8 | F102 | V100-F102 HydrophobicContact CB-CE2 4.28Å; V100-F102 HydrophobicContact CG1-CE2 4.5Å | ||
| 101 | D | 55.2 | Low | 55.1 | Low | 119 Ų | 119 | 132.9 Ų | 132.9 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | trans | -94.5 | 97.5 | 176.5 | -99.8 | -22.1 | 0 | 0 | 0 | 111.1 | T103 L104 | D101-T103 PolarHBondContact O-N 3.22Å; D101-L104 PolarHBondContact O-N 2.79Å | ||
| 102 | F | 56.6 | Low | 57.1 | Low | 172 Ų | 172 | 129.3 Ų | 129.3 | 75% | 0.754 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -64.9 | -14.7 | 176.4 | -77.4 | -90.8 | 0 | 0 | 0 | 113.8 | V100 | V100-F102 HydrophobicContact CB-CE2 4.28Å; V100-F102 HydrophobicContact CG1-CE2 4.5Å |
| 103 | T | 63.4 | Low | 58.8 | Low | 101 Ų | 101 | 129.5 Ų | 129.5 | 62% | 0.62 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -71.4 | -30.9 | 177 | 38.7 | 0 | 0 | 0 | 0 | 113.4 | D101 A107 | D101-T103 PolarHBondContact O-N 3.22Å; T103-A107 PolarHBondContact O-N 2.72Å |
| 104 | L | 60.4 | Low | 60.4 | Low | 115 Ų | 115 | 126.2 Ų | 126.2 | 60% | 0.602 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -76.4 | -34.5 | -178.9 | -173.3 | 62.7 | 0 | 0 | 0 | 112.2 | D101 I108 | D101-L104 PolarHBondContact O-N 2.79Å; L104-I108 HydrophobicContact CG-CD1 4.31Å; L104-I108 WeakPolarHBondContact O-CD1 3.28Å; L104-I108 VanDerWaalsContact O-CG1 3.3Å; L104-I108 WeakPolarHBondContact O-CG1 3.15Å; L104-I108 PolarHBondContact O-N 3.4Å |
| 105 | A | 62.7 | Low | 62.3 | Low | 65 Ų | 65 | 117.9 Ų | 117.9 | 54% | 0.537 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -71.2 | -37 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N109 | A105-N109 PolarHBondContact O-N 2.9Å; A105-N109 VanDerWaalsContact O-N 3.14Å |
| 106 | E | 66.3 | Low | 64.5 | Low | 112 Ų | 112 | 117.2 Ų | 117.2 | 52% | 0.523 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66.5 | -40 | 174.6 | -164.8 | 68.1 | -148.8 | 0 | 0 | 111.3 | N109 Q110 | E106-N109 PolarHBondContact O-N 2.89Å; E106-Q110 WeakPolarHBondContact O-CG 3.28Å; E106-Q110 PolarHBondContact O-N 3.38Å |
| 107 | A | 68.8 | Low | 66.4 | Low | 50 Ų | 50 | 115.3 Ų | 115.3 | 41% | 0.413 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.5 | -43.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T103 N109 Q110 E111 | T103-A107 PolarHBondContact O-N 2.72Å; A107-N109 PolarHBondContact O-N 3.44Å; A107-Q110 PolarHBondContact O-N 3.49Å; A107-E111 WeakPolarHBondContact O-CB 3.36Å; A107-E111 PolarHBondContact O-N 2.69Å |
| 108 | I | 71.4 | Confident | 68.4 | Low | 101 Ų | 101 | 109.2 Ų | 109.2 | 52% | 0.518 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66 | -37.2 | 177.2 | -67.6 | 165.6 | 0 | 0 | 0 | 111.4 | L104 E111 F112 | L104-I108 HydrophobicContact CG-CD1 4.31Å; L104-I108 WeakPolarHBondContact O-CD1 3.28Å; L104-I108 VanDerWaalsContact O-CG1 3.3Å; L104-I108 WeakPolarHBondContact O-CG1 3.15Å; L104-I108 PolarHBondContact O-N 3.4Å; I108-E111 PolarHBondContact O-N 2.6Å; I108-F112 WeakPolarHBondContact O-CB 3.28Å; I108-F112 PolarHBondContact O-N 3.35Å |
| 109 | N | 74.6 | Confident | 70.6 | Confident | 80 Ų | 80 | 107.8 Ų | 107.8 | 43% | 0.428 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71.1 | -37.5 | 177.4 | -171.4 | 51.1 | 0 | 0 | 0 | 112.3 | A105 E106 A107 F112 L113 | A105-N109 PolarHBondContact O-N 2.9Å; A105-N109 VanDerWaalsContact O-N 3.14Å; E106-N109 PolarHBondContact O-N 2.89Å; A107-N109 PolarHBondContact O-N 3.44Å; N109-F112 PolarHBondContact O-N 3.19Å; N109-L113 WeakPolarHBondContact O-CG 3.47Å; N109-L113 PolarHBondContact O-N 2.98Å |
| 110 | Q | 74.1 | Confident | 72.5 | Confident | 124 Ų | 124 | 105.8 Ų | 105.8 | 58% | 0.579 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.3 | -39.6 | 172 | -74.7 | -171.4 | 11.6 | 0 | 0 | 111.9 | E106 A107 L113 A114 | E106-Q110 WeakPolarHBondContact O-CG 3.28Å; E106-Q110 PolarHBondContact O-N 3.38Å; A107-Q110 PolarHBondContact O-N 3.49Å; Q110-L113 PolarHBondContact O-N 2.9Å; Q110-A114 WeakPolarHBondContact O-CB 3.37Å; Q110-A114 PolarHBondContact O-N 3.43Å |
| 111 | E | 75.1 | Confident | 74.1 | Confident | 132 Ų | 132 | 102.3 Ų | 102.3 | 62% | 0.617 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.1 | -41.4 | 175.2 | -163 | 172.5 | -164.7 | 0 | 0 | 111.3 | A107 I108 A114 T115 | A107-E111 WeakPolarHBondContact O-CB 3.36Å; A107-E111 PolarHBondContact O-N 2.69Å; I108-E111 PolarHBondContact O-N 2.6Å; E111-A114 PolarHBondContact O-N 2.84Å; E111-T115 WeakPolarHBondContact O-CG2 3.35Å; E111-T115 PolarHBondContact O-N 3.45Å; E111-T115 PolarHBondContact O-OG1 3.12Å |
| 112 | F | 79.1 | Confident | 75.6 | Confident | 118 Ų | 118 | 101.9 Ų | 101.9 | 52% | 0.518 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.9 | -38.7 | 174.9 | -178.8 | -101.7 | 0 | 0 | 0 | 113.6 | I108 N109 A114 T115 R116 | I108-F112 WeakPolarHBondContact O-CB 3.28Å; I108-F112 PolarHBondContact O-N 3.35Å; N109-F112 PolarHBondContact O-N 3.19Å; F112-A114 VanDerWaalsContact C-N 3.33Å; F112-T115 WeakPolarHBondContact CA-OG1 3.45Å; F112-T115 PolarHBondContact O-OG1 3.2Å; F112-R116 VanDerWaalsContact O-CB 3.24Å; F112-R116 WeakPolarHBondContact O-CB 3.15Å; F112-R116 PolarHBondContact O-N 3.11Å |
| 113 | L | 79.7 | Confident | 77.1 | Confident | 97 Ų | 97 | 99.2 Ų | 99.2 | 51% | 0.508 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.9 | -36 | 173.9 | -73.5 | 171 | 0 | 0 | 0 | 111.4 | N109 Q110 S117 | N109-L113 WeakPolarHBondContact O-CG 3.47Å; N109-L113 PolarHBondContact O-N 2.98Å; Q110-L113 PolarHBondContact O-N 2.9Å; L113-S117 VanDerWaalsContact O-CB 3.25Å; L113-S117 WeakPolarHBondContact O-CB 3.47Å; L113-S117 PolarHBondContact O-N 3.02Å |
| 114 | A | 77.6 | Confident | 78.2 | Confident | 58 Ų | 58 | 99.8 Ų | 99.8 | 48% | 0.479 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.6 | -45.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q110 E111 F112 R116 S117 N118 | Q110-A114 WeakPolarHBondContact O-CB 3.37Å; Q110-A114 PolarHBondContact O-N 3.43Å; E111-A114 PolarHBondContact O-N 2.84Å; F112-A114 VanDerWaalsContact C-N 3.33Å; A114-R116 PolarHBondContact O-N 2.99Å; A114-S117 PolarHBondContact O-N 2.95Å; A114-N118 WeakPolarHBondContact O-CB 3.22Å; A114-N118 PolarHBondContact O-N 3.45Å |
| 115 | T | 80.6 | Confident | 79.6 | Confident | 65 Ų | 65 | 101.1 Ų | 101.1 | 40% | 0.399 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 176 | 57.1 | 0 | 0 | 0 | 0 | 111.3 | E111 F112 S117 N118 E119 | E111-T115 WeakPolarHBondContact O-CG2 3.35Å; E111-T115 PolarHBondContact O-N 3.45Å; E111-T115 PolarHBondContact O-OG1 3.12Å; F112-T115 WeakPolarHBondContact CA-OG1 3.45Å; F112-T115 PolarHBondContact O-OG1 3.2Å; T115-S117 VanDerWaalsContact C-N 3.34Å; T115-S117 PolarHBondContact O-N 3.41Å; T115-N118 PolarHBondContact O-N 2.79Å; T115-E119 WeakPolarHBondContact O-CB 3.35Å; T115-E119 WeakPolarHBondContact O-CG 3.36Å; T115-E119 PolarHBondContact O-N 2.68Å |
| 116 | R | 84.9 | Confident | 81 | Confident | 160 Ų | 160 | 102.5 Ų | 102.5 | 60% | 0.604 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66 | -35.7 | 176.1 | -171.9 | 178.4 | -178.7 | 155.1 | 2.1 | 112.7 | F112 A114 K120 | F112-R116 VanDerWaalsContact O-CB 3.24Å; F112-R116 WeakPolarHBondContact O-CB 3.15Å; F112-R116 PolarHBondContact O-N 3.11Å; A114-R116 PolarHBondContact O-N 2.99Å; R116-K120 VanDerWaalsContact O-CB 3.26Å; R116-K120 WeakPolarHBondContact O-CB 3.35Å; R116-K120 PolarHBondContact O-N 3.38Å |
| 117 | S | 83.3 | Confident | 82.2 | Confident | 79 Ų | 79 | 102.2 Ų | 102.2 | 55% | 0.552 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.8 | -38.5 | 173.8 | -172.1 | 0 | 0 | 0 | 0 | 111.2 | L113 A114 T115 K120 A121 | L113-S117 VanDerWaalsContact O-CB 3.25Å; L113-S117 WeakPolarHBondContact O-CB 3.47Å; L113-S117 PolarHBondContact O-N 3.02Å; A114-S117 PolarHBondContact O-N 2.95Å; T115-S117 VanDerWaalsContact C-N 3.34Å; T115-S117 PolarHBondContact O-N 3.41Å; S117-K120 PolarHBondContact O-N 2.92Å; S117-A121 PolarHBondContact O-N 3.14Å |
| 118 | N | 84.9 | Confident | 83.2 | Confident | 90 Ų | 90 | 104.6 Ų | 104.6 | 48% | 0.481 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.7 | -46.4 | 176.9 | -164.9 | 56 | 0 | 0 | 0 | 111.5 | A114 T115 K120 A121 E122 | A114-N118 WeakPolarHBondContact O-CB 3.22Å; A114-N118 PolarHBondContact O-N 3.45Å; T115-N118 PolarHBondContact O-N 2.79Å; N118-K120 VanDerWaalsContact C-N 3.28Å; N118-K120 PolarHBondContact O-N 2.96Å; N118-A121 WeakPolarHBondContact O-CB 3.49Å; N118-A121 PolarHBondContact O-N 3.25Å; N118-E122 PolarHBondContact ND2-OE1 3.36Å; N118-E122 WeakPolarHBondContact O-CG 3.31Å; N118-E122 PolarHBondContact O-N 3.36Å |
| 119 | E | 85.3 | Confident | 84.2 | Confident | 115 Ų | 115 | 109 Ų | 109 | 54% | 0.537 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.1 | -38.8 | 172.9 | -74.6 | 175.6 | -178 | 0 | 0 | 111.8 | T115 E122 L123 | T115-E119 WeakPolarHBondContact O-CB 3.35Å; T115-E119 WeakPolarHBondContact O-CG 3.36Å; T115-E119 PolarHBondContact O-N 2.68Å; E119-E122 PolarHBondContact O-N 3.39Å; E119-L123 WeakPolarHBondContact O-CB 3.18Å; E119-L123 VanDerWaalsContact O-CG 3.26Å; E119-L123 WeakPolarHBondContact O-CG 3.37Å; E119-L123 PolarHBondContact O-N 3.48Å |
| 120 | K | 87.4 | Confident | 85 | Confident | 144 Ų | 144 | 111 Ų | 111 | 63% | 0.626 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.2 | -40.2 | 174.5 | -175.8 | -175.9 | 175.4 | -171.2 | 0 | 111.7 | R116 S117 N118 Q124 | R116-K120 VanDerWaalsContact O-CB 3.26Å; R116-K120 WeakPolarHBondContact O-CB 3.35Å; R116-K120 PolarHBondContact O-N 3.38Å; S117-K120 PolarHBondContact O-N 2.92Å; N118-K120 VanDerWaalsContact C-N 3.28Å; N118-K120 PolarHBondContact O-N 2.96Å; K120-Q124 VanDerWaalsContact O-CB 3.3Å; K120-Q124 WeakPolarHBondContact O-CB 3.36Å; K120-Q124 PolarHBondContact O-N 3.46Å |
| 121 | A | 85.6 | Confident | 85.8 | Confident | 52 Ų | 52 | 107 Ų | 107 | 43% | 0.43 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.5 | -43.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S117 N118 Q124 E125 | S117-A121 PolarHBondContact O-N 3.14Å; N118-A121 WeakPolarHBondContact O-CB 3.49Å; N118-A121 PolarHBondContact O-N 3.25Å; A121-Q124 WeakPolarHBondContact O-CB 3.33Å; A121-Q124 PolarHBondContact O-N 2.92Å; A121-Q124 VanDerWaalsContact O-N 3.16Å; A121-E125 PolarHBondContact O-N 3.25Å |
| 122 | E | 85.3 | Confident | 86.7 | Confident | 109 Ų | 109 | 103.9 Ų | 103.9 | 51% | 0.509 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 175.3 | -71.7 | 174.9 | -167.9 | 0 | 0 | 111.8 | N118 E119 Q124 E125 L126 | N118-E122 PolarHBondContact ND2-OE1 3.36Å; N118-E122 WeakPolarHBondContact O-CG 3.31Å; N118-E122 PolarHBondContact O-N 3.36Å; E119-E122 PolarHBondContact O-N 3.39Å; E122-Q124 VanDerWaalsContact C-N 3.29Å; E122-Q124 PolarHBondContact O-N 3.31Å; E122-E125 PolarHBondContact O-N 2.96Å; E122-L126 VanDerWaalsContact O-CB 3.28Å; E122-L126 WeakPolarHBondContact O-CB 3.47Å; E122-L126 PolarHBondContact O-N 3.46Å |
| 123 | L | 87.8 | Confident | 87.4 | Confident | 117 Ų | 117 | 104.8 Ų | 104.8 | 61% | 0.613 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.3 | -33.4 | 174.1 | -75.3 | 173.5 | 0 | 0 | 0 | 112.2 | E119 N127 | E119-L123 WeakPolarHBondContact O-CB 3.18Å; E119-L123 VanDerWaalsContact O-CG 3.26Å; E119-L123 WeakPolarHBondContact O-CG 3.37Å; E119-L123 PolarHBondContact O-N 3.48Å; L123-N127 VanDerWaalsContact O-CB 3.25Å; L123-N127 WeakPolarHBondContact O-CB 3.27Å; L123-N127 PolarHBondContact O-N 2.91Å |
| 124 | Q | 87.7 | Confident | 88 | Confident | 112 Ų | 112 | 104.4 Ų | 104.4 | 52% | 0.523 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.5 | -44.9 | 176.3 | -173 | 161.8 | -10.5 | 0 | 0 | 111.3 | K120 A121 E122 L126 N127 D128 | K120-Q124 VanDerWaalsContact O-CB 3.3Å; K120-Q124 WeakPolarHBondContact O-CB 3.36Å; K120-Q124 PolarHBondContact O-N 3.46Å; A121-Q124 WeakPolarHBondContact O-CB 3.33Å; A121-Q124 PolarHBondContact O-N 2.92Å; A121-Q124 VanDerWaalsContact O-N 3.16Å; E122-Q124 VanDerWaalsContact C-N 3.29Å; E122-Q124 PolarHBondContact O-N 3.31Å; Q124-L126 VanDerWaalsContact C-N 3.32Å; Q124-L126 PolarHBondContact O-N 2.87Å; Q124-N127 PolarHBondContact O-N 3.42Å; Q124-N127 VanDerWaalsContact O-N 3.15Å; Q124-D128 VanDerWaalsContact O-CG 3.25Å; Q124-D128 PolarHBondContact O-N 3.49Å |
| 125 | E | 90 | Very high | 88.8 | Confident | 143 Ų | 143 | 108.1 Ų | 108.1 | 67% | 0.668 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.9 | -41.5 | 174.4 | -175.1 | -178.3 | 172.5 | 0 | 0 | 111.8 | A121 E122 N127 D128 R129 | A121-E125 PolarHBondContact O-N 3.25Å; E122-E125 PolarHBondContact O-N 2.96Å; E125-N127 VanDerWaalsContact C-N 3.33Å; E125-N127 PolarHBondContact O-N 3.49Å; E125-D128 PolarHBondContact O-N 3.49Å; E125-R129 WeakPolarHBondContact O-CB 2.96Å; E125-R129 PolarHBondContact O-N 2.84Å |
| 126 | L | 90.6 | Very high | 89.4 | Confident | 95 Ų | 95 | 110.1 Ų | 110.1 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.8 | -37.5 | 176.5 | -162.6 | 117.4 | 0 | 0 | 0 | 111.5 | E122 Q124 R129 F130 | E122-L126 VanDerWaalsContact O-CB 3.28Å; E122-L126 WeakPolarHBondContact O-CB 3.47Å; E122-L126 PolarHBondContact O-N 3.46Å; Q124-L126 VanDerWaalsContact C-N 3.32Å; Q124-L126 PolarHBondContact O-N 2.87Å; L126-R129 PolarHBondContact O-N 3.42Å; L126-F130 HydrophobicContact CD2-CD2 3.87Å; L126-F130 HydrophobicContact CD2-CE2 3.27Å; L126-F130 HydrophobicContact CD2-CZ 4.09Å; L126-F130 HydrophobicContact CG-CD2 4.36Å; L126-F130 HydrophobicContact CG-CE2 4.02Å; L126-F130 VanDerWaalsContact O-CD2 3.24Å; L126-F130 WeakPolarHBondContact O-CD2 3.3Å; L126-F130 WeakPolarHBondContact O-CG 3.29Å; L126-F130 PolarHBondContact O-N 3.28Å |
| 127 | N | 91.4 | Very high | 89.9 | Confident | 106 Ų | 106 | 105 Ų | 105 | 57% | 0.567 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.2 | -41.4 | 175.2 | -158.6 | -28.7 | 0 | 0 | 0 | 111.7 | L123 Q124 E125 R129 F130 A131 | L123-N127 VanDerWaalsContact O-CB 3.25Å; L123-N127 WeakPolarHBondContact O-CB 3.27Å; L123-N127 PolarHBondContact O-N 2.91Å; Q124-N127 PolarHBondContact O-N 3.42Å; Q124-N127 VanDerWaalsContact O-N 3.15Å; E125-N127 VanDerWaalsContact C-N 3.33Å; E125-N127 PolarHBondContact O-N 3.49Å; N127-R129 VanDerWaalsContact C-N 3.28Å; N127-R129 PolarHBondContact O-N 2.89Å; N127-F130 CarbonylContact O-C 3.59Å; N127-F130 WeakPolarHBondContact O-CA 3.4Å; N127-F130 WeakPolarHBondContact O-CB 3.42Å; N127-F130 PolarHBondContact O-N 2.87Å; N127-F130 VanDerWaalsContact O-N 3.08Å; N127-A131 WeakPolarHBondContact O-CB 3.43Å; N127-A131 PolarHBondContact O-N 3.49Å |
| 128 | D | 91.3 | Very high | 90.4 | Very high | 99 Ų | 99 | 109.4 Ų | 109.4 | 53% | 0.529 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 174.1 | -68 | -23.2 | 0 | 0 | 0 | 110.9 | Q124 E125 A131 S132 | Q124-D128 VanDerWaalsContact O-CG 3.25Å; Q124-D128 PolarHBondContact O-N 3.49Å; E125-D128 PolarHBondContact O-N 3.49Å; D128-A131 PolarHBondContact O-N 3.27Å; D128-S132 PolarHBondContact O-N 3.43Å; D128-S132 PolarHBondContact O-OG 3.38Å |
| 129 | R | 91.4 | Very high | 90.9 | Very high | 195 Ų | 195 | 110.5 Ų | 110.5 | 74% | 0.736 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.7 | -37.1 | 172.2 | -167.5 | 175.1 | 178 | 178.6 | -0.7 | 112.3 | E125 L126 N127 S132 F133 | E125-R129 WeakPolarHBondContact O-CB 2.96Å; E125-R129 PolarHBondContact O-N 2.84Å; L126-R129 PolarHBondContact O-N 3.42Å; N127-R129 VanDerWaalsContact C-N 3.28Å; N127-R129 PolarHBondContact O-N 2.89Å; R129-S132 WeakPolarHBondContact CA-OG 3.05Å; R129-S132 PolarHBondContact O-OG 3.33Å; R129-F133 PolarHBondContact O-N 2.85Å |
| 130 | F | 91.4 | Very high | 91.3 | Very high | 121 Ų | 121 | 108.6 Ų | 108.6 | 53% | 0.531 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.3 | -40 | 172.5 | -78.8 | -48.3 | 0 | 0 | 0 | 112.5 | L126 N127 S132 F133 I134 | L126-F130 HydrophobicContact CD2-CD2 3.87Å; L126-F130 HydrophobicContact CD2-CE2 3.27Å; L126-F130 HydrophobicContact CD2-CZ 4.09Å; L126-F130 HydrophobicContact CG-CD2 4.36Å; L126-F130 HydrophobicContact CG-CE2 4.02Å; L126-F130 VanDerWaalsContact O-CD2 3.24Å; L126-F130 WeakPolarHBondContact O-CD2 3.3Å; L126-F130 WeakPolarHBondContact O-CG 3.29Å; L126-F130 PolarHBondContact O-N 3.28Å; N127-F130 CarbonylContact O-C 3.59Å; N127-F130 WeakPolarHBondContact O-CA 3.4Å; N127-F130 WeakPolarHBondContact O-CB 3.42Å; N127-F130 PolarHBondContact O-N 2.87Å; N127-F130 VanDerWaalsContact O-N 3.08Å; F130-S132 VanDerWaalsContact C-N 3.35Å; F130-S132 PolarHBondContact O-N 2.9Å; F130-F133 PolarHBondContact O-N 3.46Å; F130-I134 VanDerWaalsContact O-CG1 3.27Å; F130-I134 WeakPolarHBondContact O-CG1 3.13Å; F130-I134 PolarHBondContact O-N 2.89Å |
| 131 | A | 91.8 | Very high | 91.6 | Very high | 41 Ų | 41 | 107.7 Ų | 107.7 | 34% | 0.339 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.5 | -46.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | N127 D128 F133 I134 E135 | N127-A131 WeakPolarHBondContact O-CB 3.43Å; N127-A131 PolarHBondContact O-N 3.49Å; D128-A131 PolarHBondContact O-N 3.27Å; A131-F133 VanDerWaalsContact C-N 3.34Å; A131-F133 PolarHBondContact O-N 2.91Å; A131-I134 PolarHBondContact O-N 3.07Å; A131-E135 WeakPolarHBondContact O-CG 3.46Å; A131-E135 PolarHBondContact O-N 2.85Å |
| 132 | S | 92.6 | Very high | 92 | Very high | 65 Ų | 65 | 112 Ų | 112 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.4 | -34.7 | 175.1 | 63.3 | 0 | 0 | 0 | 0 | 113.3 | D128 R129 F130 K136 | D128-S132 PolarHBondContact O-N 3.43Å; D128-S132 PolarHBondContact O-OG 3.38Å; R129-S132 WeakPolarHBondContact CA-OG 3.05Å; R129-S132 PolarHBondContact O-OG 3.33Å; F130-S132 VanDerWaalsContact C-N 3.35Å; F130-S132 PolarHBondContact O-N 2.9Å; S132-K136 WeakPolarHBondContact O-CB 3.31Å; S132-K136 PolarHBondContact O-N 3.08Å |
| 133 | F | 94.9 | Very high | 92.4 | Very high | 138 Ų | 138 | 110.7 Ų | 110.7 | 61% | 0.605 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.7 | -41.3 | 173.7 | -164.4 | -91.5 | 0 | 0 | 0 | 111.8 | R129 F130 A131 K136 V137 | R129-F133 PolarHBondContact O-N 2.85Å; F130-F133 PolarHBondContact O-N 3.46Å; A131-F133 VanDerWaalsContact C-N 3.34Å; A131-F133 PolarHBondContact O-N 2.91Å; F133-K136 PolarHBondContact O-N 2.99Å; F133-V137 HydrophobicContact CD1-CG2 3.87Å; F133-V137 HydrophobicContact CE1-CG2 3.65Å; F133-V137 HydrophobicContact CZ-CG2 4.42Å; F133-V137 WeakPolarHBondContact O-CG2 3.47Å; F133-V137 PolarHBondContact O-N 3.15Å |
| 134 | I | 92.4 | Very high | 92.6 | Very high | 89 Ų | 89 | 109.5 Ų | 109.5 | 46% | 0.456 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 175.5 | -69.1 | 166.3 | 0 | 0 | 0 | 110.5 | F130 A131 K136 V137 R138 | F130-I134 VanDerWaalsContact O-CG1 3.27Å; F130-I134 WeakPolarHBondContact O-CG1 3.13Å; F130-I134 PolarHBondContact O-N 2.89Å; A131-I134 PolarHBondContact O-N 3.07Å; I134-K136 VanDerWaalsContact C-N 3.31Å; I134-K136 PolarHBondContact O-N 3.43Å; I134-V137 PolarHBondContact O-N 3.01Å; I134-R138 WeakPolarHBondContact O-CG 3.47Å; I134-R138 PolarHBondContact O-N 3.3Å |
| 135 | E | 93.6 | Very high | 92.9 | Very high | 135 Ų | 135 | 105.3 Ų | 105.3 | 63% | 0.631 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.6 | -41.2 | 173.2 | -76.3 | -179.6 | 177.9 | 0 | 0 | 111.6 | A131 R138 Y139 | A131-E135 WeakPolarHBondContact O-CG 3.46Å; A131-E135 PolarHBondContact O-N 2.85Å; E135-R138 PolarHBondContact O-N 3.22Å; E135-Y139 WeakPolarHBondContact O-CB 3.32Å; E135-Y139 PolarHBondContact O-N 3.1Å |
| 136 | K | 94.4 | Very high | 93.1 | Very high | 108 Ų | 108 | 100.6 Ų | 100.6 | 47% | 0.47 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.6 | -40.8 | 176.7 | -174 | 59.2 | 177.9 | -179.6 | 0 | 112.3 | S132 F133 I134 Y139 L140 | S132-K136 WeakPolarHBondContact O-CB 3.31Å; S132-K136 PolarHBondContact O-N 3.08Å; F133-K136 PolarHBondContact O-N 2.99Å; I134-K136 VanDerWaalsContact C-N 3.31Å; I134-K136 PolarHBondContact O-N 3.43Å; K136-Y139 PolarHBondContact O-N 2.86Å; K136-L140 HydrophobicContact CD-CG 4.46Å; K136-L140 HydrophobicContact CG-CD1 4.18Å; K136-L140 WeakPolarHBondContact O-CB 3.16Å; K136-L140 VanDerWaalsContact O-CG 3.29Å; K136-L140 WeakPolarHBondContact O-CG 3.36Å; K136-L140 PolarHBondContact O-N 2.88Å |
| 137 | V | 95.3 | Very high | 93.1 | Very high | 52 Ų | 52 | 100.7 Ų | 100.7 | 32% | 0.315 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 175 | 170.8 | 0 | 0 | 0 | 0 | 110.2 | F133 I134 Y139 L140 E141 | F133-V137 HydrophobicContact CD1-CG2 3.87Å; F133-V137 HydrophobicContact CE1-CG2 3.65Å; F133-V137 HydrophobicContact CZ-CG2 4.42Å; F133-V137 WeakPolarHBondContact O-CG2 3.47Å; F133-V137 PolarHBondContact O-N 3.15Å; I134-V137 PolarHBondContact O-N 3.01Å; V137-Y139 VanDerWaalsContact C-N 3.3Å; V137-Y139 PolarHBondContact O-N 3.32Å; V137-L140 CarbonylContact O-C 3.55Å; V137-L140 PolarHBondContact O-N 2.89Å; V137-L140 VanDerWaalsContact O-N 3.12Å; V137-E141 HydrophobicContact CG1-CG 4.2Å; V137-E141 WeakPolarHBondContact O-CB 3.27Å; V137-E141 WeakPolarHBondContact O-CG 3.21Å; V137-E141 PolarHBondContact O-N 2.79Å |
| 138 | R | 93.4 | Very high | 93 | Very high | 172 Ų | 172 | 101.1 Ų | 101.1 | 65% | 0.649 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.2 | -41.8 | 175.9 | -76.1 | -179.1 | 177.5 | 174.6 | 0.8 | 112.5 | I134 E135 E141 Q142 | I134-R138 WeakPolarHBondContact O-CG 3.47Å; I134-R138 PolarHBondContact O-N 3.3Å; E135-R138 PolarHBondContact O-N 3.22Å; R138-E141 PolarHBondContact O-N 2.97Å; R138-Q142 WeakPolarHBondContact O-CB 3.38Å; R138-Q142 PolarHBondContact O-N 3.45Å |
| 139 | Y | 95.6 | Very high | 92.9 | Very high | 112 Ų | 112 | 102.5 Ų | 102.5 | 44% | 0.439 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 175.7 | 178.5 | -96.3 | 0 | 0 | 0 | 112 | E135 K136 V137 Q142 Q143 | E135-Y139 WeakPolarHBondContact O-CB 3.32Å; E135-Y139 PolarHBondContact O-N 3.1Å; K136-Y139 PolarHBondContact O-N 2.86Å; V137-Y139 VanDerWaalsContact C-N 3.3Å; V137-Y139 PolarHBondContact O-N 3.32Å; Y139-Q142 PolarHBondContact O-N 2.82Å; Y139-Q143 HydrophobicContact CD1-CG 4.37Å; Y139-Q143 HydrophobicContact CE1-CG 3.98Å; Y139-Q143 VanDerWaalsContact CZ-NE2 3.29Å; Y139-Q143 WeakPolarHBondContact O-CG 3.37Å; Y139-Q143 PolarHBondContact O-N 3.38Å; Y139-Q143 PolarHBondContact OH-NE2 2.88Å |
| 140 | L | 93.7 | Very high | 92.7 | Very high | 76 Ų | 76 | 98 Ų | 98 | 40% | 0.398 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.2 | -37 | 177.4 | -72.2 | 172.2 | 0 | 0 | 0 | 112.3 | K136 V137 Q143 N144 | K136-L140 HydrophobicContact CD-CG 4.46Å; K136-L140 HydrophobicContact CG-CD1 4.18Å; K136-L140 WeakPolarHBondContact O-CB 3.16Å; K136-L140 VanDerWaalsContact O-CG 3.29Å; K136-L140 WeakPolarHBondContact O-CG 3.36Å; K136-L140 PolarHBondContact O-N 2.88Å; V137-L140 CarbonylContact O-C 3.55Å; V137-L140 PolarHBondContact O-N 2.89Å; V137-L140 VanDerWaalsContact O-N 3.12Å; L140-Q143 PolarHBondContact O-N 2.71Å; L140-N144 WeakPolarHBondContact O-CB 3.45Å; L140-N144 PolarHBondContact O-N 3.49Å |
| 141 | E | 92.8 | Very high | 92.3 | Very high | 124 Ų | 124 | 96.4 Ų | 96.4 | 58% | 0.579 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.4 | -42.8 | 172.7 | -75.1 | 174.5 | 164.4 | 0 | 0 | 111.1 | V137 R138 N144 G145 | V137-E141 HydrophobicContact CG1-CG 4.2Å; V137-E141 WeakPolarHBondContact O-CB 3.27Å; V137-E141 WeakPolarHBondContact O-CG 3.21Å; V137-E141 PolarHBondContact O-N 2.79Å; R138-E141 PolarHBondContact O-N 2.97Å; E141-N144 PolarHBondContact O-N 2.83Å; E141-G145 PolarHBondContact O-N 3.23Å |
| 142 | Q | 94.8 | Very high | 91.9 | Very high | 143 Ų | 143 | 99.4 Ų | 99.4 | 67% | 0.668 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.6 | -43.6 | 174.9 | -171.8 | 179.2 | 20.1 | 0 | 0 | 111.5 | R138 Y139 G145 A146 | R138-Q142 WeakPolarHBondContact O-CB 3.38Å; R138-Q142 PolarHBondContact O-N 3.45Å; Y139-Q142 PolarHBondContact O-N 2.82Å; Q142-G145 PolarHBondContact O-N 2.92Å; Q142-A146 PolarHBondContact O-N 2.93Å |
| 143 | Q | 94.4 | Very high | 91.4 | Very high | 82 Ų | 82 | 102.3 Ų | 102.3 | 38% | 0.383 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 175.3 | -78.1 | -166.9 | -34.9 | 0 | 0 | 112.4 | Y139 L140 G145 A146 L147 | Y139-Q143 HydrophobicContact CD1-CG 4.37Å; Y139-Q143 HydrophobicContact CE1-CG 3.98Å; Y139-Q143 VanDerWaalsContact CZ-NE2 3.29Å; Y139-Q143 WeakPolarHBondContact O-CG 3.37Å; Y139-Q143 PolarHBondContact O-N 3.38Å; Y139-Q143 PolarHBondContact OH-NE2 2.88Å; L140-Q143 PolarHBondContact O-N 2.71Å; Q143-G145 VanDerWaalsContact C-N 3.29Å; Q143-G145 PolarHBondContact O-N 2.95Å; Q143-A146 PolarHBondContact O-N 3.34Å; Q143-L147 WeakPolarHBondContact O-CB 3.49Å; Q143-L147 WeakPolarHBondContact O-CG 3.47Å; Q143-L147 PolarHBondContact O-N 2.98Å |
| 144 | N | 91.3 | Very high | 90.5 | Very high | 92 Ų | 92 | 101.6 Ų | 101.6 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.5 | -37.6 | 175.1 | -83.6 | -23.5 | 0 | 0 | 0 | 111.5 | L140 E141 L147 M148 | L140-N144 WeakPolarHBondContact O-CB 3.45Å; L140-N144 PolarHBondContact O-N 3.49Å; E141-N144 PolarHBondContact O-N 2.83Å; N144-L147 PolarHBondContact O-N 3.47Å; N144-M148 HydrophobicContact CB-CE 4.39Å; N144-M148 WeakPolarHBondContact O-CB 3.45Å; N144-M148 WeakPolarHBondContact O-CE 3.5Å; N144-M148 VanDerWaalsContact O-CG 3.3Å; N144-M148 WeakPolarHBondContact O-CG 3.44Å; N144-M148 PolarHBondContact O-N 2.79Å |
| 145 | G | 94.3 | Very high | 89.8 | Confident | 23 Ų | 23 | 102.8 Ų | 102.8 | 24% | 0.237 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -59 | -47 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E141 Q142 Q143 M148 Q149 | E141-G145 PolarHBondContact O-N 3.23Å; Q142-G145 PolarHBondContact O-N 2.92Å; Q143-G145 VanDerWaalsContact C-N 3.29Å; Q143-G145 PolarHBondContact O-N 2.95Å; G145-M148 PolarHBondContact O-N 3.23Å; G145-Q149 WeakPolarHBondContact O-CG 3.25Å; G145-Q149 PolarHBondContact O-N 2.9Å |
| 146 | A | 93.3 | Very high | 88.6 | Confident | 45 Ų | 45 | 97.8 Ų | 97.8 | 37% | 0.372 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | Q142 Q143 M148 Q149 E150 | Q142-A146 PolarHBondContact O-N 2.93Å; Q143-A146 PolarHBondContact O-N 3.34Å; A146-M148 VanDerWaalsContact C-N 3.33Å; A146-M148 PolarHBondContact O-N 3.09Å; A146-Q149 WeakPolarHBondContact O-CB 3.32Å; A146-Q149 PolarHBondContact O-N 3.14Å; A146-Q149 VanDerWaalsContact O-N 3.13Å; A146-E150 PolarHBondContact O-N 3.17Å |
| 147 | L | 90.9 | Very high | 87.2 | Confident | 96 Ų | 96 | 98.8 Ų | 98.8 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 177.3 | -72.2 | 171.1 | 0 | 0 | 0 | 112.5 | Q143 N144 E150 L151 | Q143-L147 WeakPolarHBondContact O-CB 3.49Å; Q143-L147 WeakPolarHBondContact O-CG 3.47Å; Q143-L147 PolarHBondContact O-N 2.98Å; N144-L147 PolarHBondContact O-N 3.47Å; L147-E150 PolarHBondContact O-N 2.9Å; L147-L151 WeakPolarHBondContact O-CB 3.24Å; L147-L151 PolarHBondContact O-N 3.48Å |
| 148 | M | 88.8 | Confident | 85.5 | Confident | 115 Ų | 115 | 105.9 Ų | 105.9 | 57% | 0.567 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.3 | -38.6 | 173.9 | -79.8 | -172.4 | -78.4 | 0 | 0 | 111.8 | N144 G145 A146 N152 | N144-M148 HydrophobicContact CB-CE 4.39Å; N144-M148 WeakPolarHBondContact O-CB 3.45Å; N144-M148 WeakPolarHBondContact O-CE 3.5Å; N144-M148 VanDerWaalsContact O-CG 3.3Å; N144-M148 WeakPolarHBondContact O-CG 3.44Å; N144-M148 PolarHBondContact O-N 2.79Å; G145-M148 PolarHBondContact O-N 3.23Å; A146-M148 VanDerWaalsContact C-N 3.33Å; A146-M148 PolarHBondContact O-N 3.09Å; M148-N152 WeakPolarHBondContact O-CB 3.48Å; M148-N152 PolarHBondContact O-N 3.43Å; M148-N152 PolarHBondContact O-ND2 3.34Å |
| 149 | Q | 88.8 | Confident | 83.8 | Confident | 128 Ų | 128 | 105.6 Ų | 105.6 | 60% | 0.598 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.4 | -44.3 | 175 | -72.7 | 178.4 | 13.6 | 0 | 0 | 111.9 | G145 A146 N152 Q153 | G145-Q149 WeakPolarHBondContact O-CG 3.25Å; G145-Q149 PolarHBondContact O-N 2.9Å; A146-Q149 WeakPolarHBondContact O-CB 3.32Å; A146-Q149 PolarHBondContact O-N 3.14Å; A146-Q149 VanDerWaalsContact O-N 3.13Å; Q149-N152 PolarHBondContact O-N 3Å; Q149-Q153 WeakPolarHBondContact O-CG 3.36Å; Q149-Q153 PolarHBondContact O-N 2.92Å |
| 150 | E | 88.9 | Confident | 82 | Confident | 100 Ų | 100 | 107.7 Ų | 107.7 | 47% | 0.467 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 174.6 | -72.3 | 179.4 | -178.9 | 0 | 0 | 111.1 | A146 L147 N152 Q153 F154 | A146-E150 PolarHBondContact O-N 3.17Å; L147-E150 PolarHBondContact O-N 2.9Å; E150-N152 VanDerWaalsContact C-N 3.31Å; E150-N152 PolarHBondContact O-N 3.5Å; E150-Q153 WeakPolarHBondContact O-CB 3.43Å; E150-Q153 PolarHBondContact O-N 2.98Å; E150-Q153 VanDerWaalsContact O-N 3.12Å; E150-F154 WeakPolarHBondContact O-CD2 3.45Å; E150-F154 PolarHBondContact O-N 3.41Å |
| 151 | L | 83.1 | Confident | 80.3 | Confident | 88 Ų | 88 | 106.6 Ų | 106.6 | 46% | 0.461 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 177.8 | -172.7 | 123.4 | 0 | 0 | 0 | 112.1 | L147 F154 K155 | L147-L151 WeakPolarHBondContact O-CB 3.24Å; L147-L151 PolarHBondContact O-N 3.48Å; L151-F154 PolarHBondContact O-N 2.93Å; L151-K155 HydrophobicContact CD2-CD 3.86Å; L151-K155 HydrophobicContact CG-CD 4.44Å; L151-K155 WeakPolarHBondContact O-CB 3.24Å; L151-K155 WeakPolarHBondContact O-CG 3.34Å; L151-K155 PolarHBondContact O-N 3.37Å |
| 152 | N | 83.1 | Confident | 78.5 | Confident | 105 Ų | 105 | 109 Ų | 109 | 56% | 0.561 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.6 | -35 | 174.7 | -74.8 | -20.6 | 0 | 0 | 0 | 112.3 | M148 Q149 E150 G156 | M148-N152 WeakPolarHBondContact O-CB 3.48Å; M148-N152 PolarHBondContact O-N 3.43Å; M148-N152 PolarHBondContact O-ND2 3.34Å; Q149-N152 PolarHBondContact O-N 3Å; E150-N152 VanDerWaalsContact C-N 3.31Å; E150-N152 PolarHBondContact O-N 3.5Å; N152-G156 PolarHBondContact O-N 3.49Å |
| 153 | Q | 82.6 | Confident | 76.7 | Confident | 125 Ų | 125 | 105.5 Ų | 105.5 | 58% | 0.584 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.1 | -44.3 | 173.1 | -72.5 | 173.2 | 42.7 | 0 | 0 | 111.7 | Q149 E150 G156 Q157 | Q149-Q153 WeakPolarHBondContact O-CG 3.36Å; Q149-Q153 PolarHBondContact O-N 2.92Å; E150-Q153 WeakPolarHBondContact O-CB 3.43Å; E150-Q153 PolarHBondContact O-N 2.98Å; E150-Q153 VanDerWaalsContact O-N 3.12Å; Q153-G156 PolarHBondContact O-N 2.84Å; Q153-Q157 PolarHBondContact O-N 3.42Å |
| 154 | F | 76.1 | Confident | 75.5 | Confident | 124 Ų | 124 | 107.7 Ų | 107.7 | 54% | 0.544 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.1 | -46.5 | 174.7 | -76.5 | -66.1 | 0 | 0 | 0 | 111.5 | E150 L151 G156 Q157 Y158 | E150-F154 WeakPolarHBondContact O-CD2 3.45Å; E150-F154 PolarHBondContact O-N 3.41Å; L151-F154 PolarHBondContact O-N 2.93Å; F154-G156 VanDerWaalsContact C-N 3.3Å; F154-G156 PolarHBondContact O-N 3.29Å; F154-Q157 PolarHBondContact O-N 2.9Å; F154-Y158 WeakPolarHBondContact O-CD2 3.24Å; F154-Y158 PolarHBondContact O-N 2.86Å; F154-Y158 VanDerWaalsContact O-N 3.08Å |
| 155 | K | 76.5 | Confident | 74.8 | Confident | 113 Ų | 113 | 112.8 Ų | 112.8 | 49% | 0.491 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.8 | -38.6 | 175.7 | -77.8 | -177.4 | 175.3 | -178.5 | 0 | 112.3 | L151 Q157 Y158 Q159 | L151-K155 HydrophobicContact CD2-CD 3.86Å; L151-K155 HydrophobicContact CG-CD 4.44Å; L151-K155 WeakPolarHBondContact O-CB 3.24Å; L151-K155 WeakPolarHBondContact O-CG 3.34Å; L151-K155 PolarHBondContact O-N 3.37Å; K155-Q157 VanDerWaalsContact C-N 3.33Å; K155-Q157 PolarHBondContact O-N 3.42Å; K155-Y158 PolarHBondContact O-N 3.38Å; K155-Q159 WeakPolarHBondContact O-CB 3.29Å; K155-Q159 PolarHBondContact O-N 3.37Å |
| 156 | G | 68.7 | Low | 74.1 | Confident | 30 Ų | 30 | 114.2 Ų | 114.2 | 31% | 0.309 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.3 | -40.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N152 Q153 F154 Q160 | N152-G156 PolarHBondContact O-N 3.49Å; Q153-G156 PolarHBondContact O-N 2.84Å; F154-G156 VanDerWaalsContact C-N 3.3Å; F154-G156 PolarHBondContact O-N 3.29Å; G156-Q160 VanDerWaalsContact O-CB 3.25Å; G156-Q160 WeakPolarHBondContact O-CB 3.22Å; G156-Q160 VanDerWaalsContact O-CG 3.32Å; G156-Q160 WeakPolarHBondContact O-CG 3.45Å; G156-Q160 PolarHBondContact O-N 2.85Å |
| 157 | Q | 64 | Low | 73.6 | Confident | 130 Ų | 130 | 114.5 Ų | 114.5 | 61% | 0.607 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.7 | -33 | 173.7 | -80 | 174.6 | 36.5 | 0 | 0 | 113.6 | Q153 F154 K155 | Q153-Q157 PolarHBondContact O-N 3.42Å; F154-Q157 PolarHBondContact O-N 2.9Å; K155-Q157 VanDerWaalsContact C-N 3.33Å; K155-Q157 PolarHBondContact O-N 3.42Å |
| 158 | Y | 60.3 | Low | 73.4 | Confident | 200 Ų | 200 | 114.2 Ų | 114.2 | 78% | 0.784 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -80.5 | -32 | 176.5 | -86.4 | -89.4 | 0 | 0 | 0 | 113.3 | F154 K155 | F154-Y158 WeakPolarHBondContact O-CD2 3.24Å; F154-Y158 PolarHBondContact O-N 2.86Å; F154-Y158 VanDerWaalsContact O-N 3.08Å; K155-Y158 PolarHBondContact O-N 3.38Å |
| 159 | Q | 58.7 | Low | 73.4 | Confident | 167 Ų | 167 | 112.9 Ų | 112.9 | 78% | 0.78 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -79.9 | -36.2 | 176.8 | -84.7 | 179.9 | -4.5 | 0 | 0 | 113 | K155 G161 | K155-Q159 WeakPolarHBondContact O-CB 3.29Å; K155-Q159 PolarHBondContact O-N 3.37Å; Q159-G161 PolarHBondContact O-N 3.41Å |
| 160 | Q | 57.7 | Low | 73.4 | Confident | 156 Ų | 156 | 113.8 Ų | 113.8 | 73% | 0.729 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 61.9 | 163.4 | -62.7 | -70.5 | 12.2 | 0 | 0 | 107.9 | G156 Q162 | G156-Q160 VanDerWaalsContact O-CB 3.25Å; G156-Q160 WeakPolarHBondContact O-CB 3.22Å; G156-Q160 VanDerWaalsContact O-CG 3.32Å; G156-Q160 WeakPolarHBondContact O-CG 3.45Å; G156-Q160 PolarHBondContact O-N 2.85Å; Q160-Q162 PolarHBondContact O-N 3.01Å |
| 161 | G | 57 | Low | 73.6 | Confident | 52 Ų | 52 | 114.4 Ų | 114.4 | 54% | 0.536 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -47.4 | 100.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q159 P163 | Q159-G161 PolarHBondContact O-N 3.41Å; G161-P163 WeakPolarHBondContact O-CD 3.25Å |
| 162 | Q | 55.8 | Low | 74.1 | Confident | 175 Ų | 175 | 115.4 Ų | 115.4 | 82% | 0.818 | 57% | 0.571 | S | S | * | * | trans | -62 | 112.6 | 162.1 | -69.6 | -154.2 | -7.5 | 0 | 0 | 103.3 | Q160 N164 | Q160-Q162 PolarHBondContact O-N 3.01Å; Q162-N164 PolarHBondContact O-N 3.38Å | ||
| 163 | P | 56.6 | Low | 74.7 | Confident | 69 Ų | 69 | 116 Ų | 116 | 45% | 0.448 | 57% | 0.57 | S | S | . | * | trans | -51.6 | 128.1 | 173.7 | 24.9 | -34.4 | 0 | 0 | 0 | 105.5 | G161 R165 E168 | G161-P163 WeakPolarHBondContact O-CD 3.25Å; P163-R165 PolarHBondContact O-N 3.42Å; P163-E168 HydrophobicContact CB-CG 3.75Å; P163-E168 HydrophobicContact CG-CG 3.71Å; P163-E168 WeakPolarHBondContact CG-OE1 3.48Å | ||
| 164 | N | 69.1 | Low | 75.4 | Confident | 128 Ų | 128 | 114.3 Ų | 114.3 | 68% | 0.684 | 57% | 0.565 | S | S | * | * | trans | -45.1 | 116.5 | 177.9 | -96.7 | -21.9 | 0 | 0 | 0 | 106.3 | Q162 A166 S167 E168 | Q162-N164 PolarHBondContact O-N 3.38Å; N164-A166 CarbonylContact O-C 3.6Å; N164-A166 PolarHBondContact O-N 2.88Å; N164-S167 VanDerWaalsContact O-CA 3.29Å; N164-S167 WeakPolarHBondContact O-CA 3.41Å; N164-S167 VanDerWaalsContact O-CB 3.22Å; N164-S167 WeakPolarHBondContact O-CB 3Å; N164-S167 PolarHBondContact O-N 3.42Å; N164-E168 PolarHBondContact O-N 2.87Å; N164-E168 VanDerWaalsContact O-N 3.16Å | ||
| 165 | R | 77.6 | Confident | 76.4 | Confident | 199 Ų | 199 | 115.7 Ų | 115.7 | 75% | 0.751 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -49 | -32.8 | -177.7 | 177.6 | 178.9 | 172.4 | -173.2 | -1.5 | 111.8 | P163 E168 L169 | P163-R165 PolarHBondContact O-N 3.42Å; R165-E168 PolarHBondContact O-N 3.21Å; R165-L169 HydrophobicContact CG-CD1 4.36Å; R165-L169 VanDerWaalsContact O-CG 3.27Å; R165-L169 WeakPolarHBondContact O-CG 3.4Å; R165-L169 PolarHBondContact O-N 3.45Å; R165-L169 VanDerWaalsContact O-N 3.07Å |
| 166 | A | 78.1 | Confident | 77.4 | Confident | 53 Ų | 53 | 113.5 Ų | 113.5 | 44% | 0.438 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.9 | -44 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N164 L169 F170 | N164-A166 CarbonylContact O-C 3.6Å; N164-A166 PolarHBondContact O-N 2.88Å; A166-L169 PolarHBondContact O-N 2.87Å; A166-F170 HydrophobicContact CB-CE2 4.26Å; A166-F170 WeakPolarHBondContact O-CD2 3.34Å; A166-F170 VanDerWaalsContact O-CG 3.31Å; A166-F170 WeakPolarHBondContact O-CG 3.36Å; A166-F170 PolarHBondContact O-N 2.92Å |
| 167 | S | 83.9 | Confident | 78.8 | Confident | 51 Ų | 51 | 117.1 Ų | 117.1 | 36% | 0.357 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.7 | -37.8 | 174.5 | -174.5 | 0 | 0 | 0 | 0 | 112.9 | N164 Q171 | N164-S167 VanDerWaalsContact O-CA 3.29Å; N164-S167 WeakPolarHBondContact O-CA 3.41Å; N164-S167 VanDerWaalsContact O-CB 3.22Å; N164-S167 WeakPolarHBondContact O-CB 3Å; N164-S167 PolarHBondContact O-N 3.42Å; S167-Q171 WeakPolarHBondContact O-CB 3.47Å; S167-Q171 VanDerWaalsContact O-CG 3.26Å; S167-Q171 WeakPolarHBondContact O-CG 3.37Å; S167-Q171 PolarHBondContact O-N 2.91Å |
| 168 | E | 86 | Confident | 80.4 | Confident | 91 Ų | 91 | 118.8 Ų | 118.8 | 43% | 0.425 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.9 | -47.8 | 175.5 | -65.6 | -172.9 | 135.7 | 0 | 0 | 111 | P163 N164 R165 F170 Q171 E172 | P163-E168 HydrophobicContact CB-CG 3.75Å; P163-E168 HydrophobicContact CG-CG 3.71Å; P163-E168 WeakPolarHBondContact CG-OE1 3.48Å; N164-E168 PolarHBondContact O-N 2.87Å; N164-E168 VanDerWaalsContact O-N 3.16Å; R165-E168 PolarHBondContact O-N 3.21Å; E168-F170 VanDerWaalsContact C-N 3.34Å; E168-F170 PolarHBondContact O-N 3.45Å; E168-Q171 PolarHBondContact O-N 2.86Å; E168-Q171 VanDerWaalsContact O-N 3.09Å; E168-E172 WeakPolarHBondContact O-CG 3.44Å; E168-E172 PolarHBondContact O-N 3.34Å |
| 169 | L | 88.3 | Confident | 82.2 | Confident | 87 Ų | 87 | 116.6 Ų | 116.6 | 46% | 0.455 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -57.5 | -46.6 | 176 | -69.3 | 171 | 0 | 0 | 0 | 111.2 | R165 A166 Q171 E172 E173 | R165-L169 HydrophobicContact CG-CD1 4.36Å; R165-L169 VanDerWaalsContact O-CG 3.27Å; R165-L169 WeakPolarHBondContact O-CG 3.4Å; R165-L169 PolarHBondContact O-N 3.45Å; R165-L169 VanDerWaalsContact O-N 3.07Å; A166-L169 PolarHBondContact O-N 2.87Å; L169-Q171 VanDerWaalsContact C-N 3.32Å; L169-Q171 PolarHBondContact O-N 3.31Å; L169-E172 PolarHBondContact O-N 3.47Å; L169-E173 WeakPolarHBondContact O-CG 3.32Å; L169-E173 PolarHBondContact O-N 3.43Å |
| 170 | F | 90 | Very high | 84.1 | Confident | 147 Ų | 147 | 113.2 Ų | 113.2 | 65% | 0.645 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.2 | -35.8 | 176.4 | -69 | -48.3 | 0 | 0 | 0 | 112.9 | A166 E168 L174 | A166-F170 HydrophobicContact CB-CE2 4.26Å; A166-F170 WeakPolarHBondContact O-CD2 3.34Å; A166-F170 VanDerWaalsContact O-CG 3.31Å; A166-F170 WeakPolarHBondContact O-CG 3.36Å; A166-F170 PolarHBondContact O-N 2.92Å; E168-F170 VanDerWaalsContact C-N 3.34Å; E168-F170 PolarHBondContact O-N 3.45Å; F170-L174 VanDerWaalsContact O-CB 3.24Å; F170-L174 WeakPolarHBondContact O-CB 3.49Å; F170-L174 PolarHBondContact O-N 3.02Å |
| 171 | Q | 92.6 | Very high | 86 | Confident | 113 Ų | 113 | 111.8 Ų | 111.8 | 53% | 0.528 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.7 | -36.4 | 175.4 | -78.6 | -179.7 | 17.3 | 0 | 0 | 112.5 | S167 E168 L169 R175 | S167-Q171 WeakPolarHBondContact O-CB 3.47Å; S167-Q171 VanDerWaalsContact O-CG 3.26Å; S167-Q171 WeakPolarHBondContact O-CG 3.37Å; S167-Q171 PolarHBondContact O-N 2.91Å; E168-Q171 PolarHBondContact O-N 2.86Å; E168-Q171 VanDerWaalsContact O-N 3.09Å; L169-Q171 VanDerWaalsContact C-N 3.32Å; L169-Q171 PolarHBondContact O-N 3.31Å; Q171-R175 WeakPolarHBondContact O-CB 3.34Å; Q171-R175 PolarHBondContact O-N 3.17Å |
| 172 | E | 94.4 | Very high | 88 | Confident | 108 Ų | 108 | 114.2 Ų | 114.2 | 51% | 0.505 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.2 | -49 | 174.3 | -73.8 | 177.3 | 173.7 | 0 | 0 | 111.5 | E168 L169 L174 R175 E176 | E168-E172 WeakPolarHBondContact O-CG 3.44Å; E168-E172 PolarHBondContact O-N 3.34Å; L169-E172 PolarHBondContact O-N 3.47Å; E172-L174 VanDerWaalsContact C-N 3.3Å; E172-L174 PolarHBondContact O-N 2.92Å; E172-R175 WeakPolarHBondContact O-CB 3.43Å; E172-R175 PolarHBondContact O-N 3.49Å; E172-R175 VanDerWaalsContact O-N 3.12Å; E172-E176 PolarHBondContact O-N 3.37Å |
| 173 | E | 95.6 | Very high | 90 | Very high | 119 Ų | 119 | 107.8 Ų | 107.8 | 56% | 0.556 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -57.5 | -43.6 | 175.2 | -69.7 | -59.8 | 150.5 | 0 | 0 | 111.5 | L169 R175 E176 L177 | L169-E173 WeakPolarHBondContact O-CG 3.32Å; L169-E173 PolarHBondContact O-N 3.43Å; E173-R175 VanDerWaalsContact C-N 3.3Å; E173-R175 PolarHBondContact O-N 2.93Å; E173-E176 PolarHBondContact O-N 3.49Å; E173-L177 WeakPolarHBondContact O-CB 3.42Å; E173-L177 VanDerWaalsContact O-CG 3.29Å; E173-L177 WeakPolarHBondContact O-CG 3.45Å; E173-L177 PolarHBondContact O-N 3.42Å |
| 174 | L | 96.4 | Very high | 91.9 | Very high | 89 Ų | 89 | 108.8 Ų | 108.8 | 47% | 0.466 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.2 | -33.4 | 179.5 | -153.2 | 149 | 0 | 0 | 0 | 111.8 | F170 E172 R178 | F170-L174 VanDerWaalsContact O-CB 3.24Å; F170-L174 WeakPolarHBondContact O-CB 3.49Å; F170-L174 PolarHBondContact O-N 3.02Å; E172-L174 VanDerWaalsContact C-N 3.3Å; E172-L174 PolarHBondContact O-N 2.92Å; L174-R178 HydrophobicContact CD2-CG 4.48Å; L174-R178 VanDerWaalsContact CD2-CZ 3.5Å; L174-R178 VanDerWaalsContact O-CG 3.26Å; L174-R178 WeakPolarHBondContact O-CG 3.45Å; L174-R178 PolarHBondContact O-N 2.95Å; L174-R178 VanDerWaalsContact O-N 3.13Å |
| 175 | R | 97.5 | Very high | 93.3 | Very high | 153 Ų | 153 | 103.6 Ų | 103.6 | 58% | 0.577 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.9 | -42.5 | 173.8 | -168.6 | -175.7 | -61.3 | 111.3 | 0.7 | 111.3 | Q171 E172 E173 R178 R179 | Q171-R175 WeakPolarHBondContact O-CB 3.34Å; Q171-R175 PolarHBondContact O-N 3.17Å; E172-R175 WeakPolarHBondContact O-CB 3.43Å; E172-R175 PolarHBondContact O-N 3.49Å; E172-R175 VanDerWaalsContact O-N 3.12Å; E173-R175 VanDerWaalsContact C-N 3.3Å; E173-R175 PolarHBondContact O-N 2.93Å; R175-R178 PolarHBondContact O-N 2.96Å; R175-R179 PolarHBondContact O-N 2.84Å |
| 176 | E | 97.8 | Very high | 94.3 | Very high | 66 Ų | 66 | 100.8 Ų | 100.8 | 31% | 0.308 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.7 | -42.4 | 178.8 | -175.2 | 55.5 | -156.6 | 0 | 0 | 111.6 | E172 E173 R178 R179 Q180 | E172-E176 PolarHBondContact O-N 3.37Å; E173-E176 PolarHBondContact O-N 3.49Å; E176-R178 VanDerWaalsContact C-N 3.3Å; E176-R178 PolarHBondContact O-N 3.48Å; E176-R179 WeakPolarHBondContact O-CB 2.82Å; E176-R179 PolarHBondContact O-N 2.91Å; E176-R179 VanDerWaalsContact O-N 3.11Å; E176-R179 IonicContact OE1-CZ 2.88Å; E176-R179 IonicContact OE1-NE 3.89Å; E176-R179 PolarHBondContact OE1-NE 3Å; E176-R179 IonicContact OE1-NH2 3.38Å; E176-R179 PolarHBondContact OE1-NH2 2.93Å; E176-R179 IonicContact OE2-CZ 3.87Å; E176-R179 IonicContact OE2-NE 2.57Å; E176-R179 PolarHBondContact OE2-NE 3.21Å; E176-R179 IonicContact OE2-NH2 3.5Å; E176-Q180 WeakPolarHBondContact O-CG 3.4Å; E176-Q180 PolarHBondContact O-N 3.48Å; E176-Q180 PolarHBondContact OE1-NE2 3.46Å |
| 177 | L | 97.3 | Very high | 95.2 | Very high | 107 Ų | 107 | 103 Ų | 103 | 56% | 0.56 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.7 | -39.8 | 173.9 | -73.6 | 172.5 | 0 | 0 | 0 | 112.2 | E173 Q180 L181 | E173-L177 WeakPolarHBondContact O-CB 3.42Å; E173-L177 VanDerWaalsContact O-CG 3.29Å; E173-L177 WeakPolarHBondContact O-CG 3.45Å; E173-L177 PolarHBondContact O-N 3.42Å; L177-Q180 PolarHBondContact O-N 3.19Å; L177-L181 WeakPolarHBondContact O-CB 3.2Å; L177-L181 PolarHBondContact O-N 2.89Å |
| 178 | R | 98 | Very high | 95.9 | Very high | 164 Ų | 164 | 108 Ų | 108 | 62% | 0.619 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64 | -43.2 | 173.3 | -75.9 | 175 | -178.1 | -169.5 | 4.3 | 111.9 | L174 R175 E176 Q180 L181 D182 | L174-R178 HydrophobicContact CD2-CG 4.48Å; L174-R178 VanDerWaalsContact CD2-CZ 3.5Å; L174-R178 VanDerWaalsContact O-CG 3.26Å; L174-R178 WeakPolarHBondContact O-CG 3.45Å; L174-R178 PolarHBondContact O-N 2.95Å; L174-R178 VanDerWaalsContact O-N 3.13Å; R175-R178 PolarHBondContact O-N 2.96Å; E176-R178 VanDerWaalsContact C-N 3.3Å; E176-R178 PolarHBondContact O-N 3.48Å; R178-Q180 VanDerWaalsContact C-N 3.3Å; R178-Q180 PolarHBondContact O-N 2.76Å; R178-L181 PolarHBondContact O-N 3.46Å; R178-D182 PolarHBondContact O-N 2.92Å |
| 179 | R | 98.2 | Very high | 96.4 | Very high | 154 Ų | 154 | 107.8 Ų | 107.8 | 58% | 0.581 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.7 | -40.1 | 177.1 | -165 | -175.6 | 75.1 | 86.3 | 5.1 | 111.7 | R175 E176 A183 | R175-R179 PolarHBondContact O-N 2.84Å; E176-R179 WeakPolarHBondContact O-CB 2.82Å; E176-R179 PolarHBondContact O-N 2.91Å; E176-R179 VanDerWaalsContact O-N 3.11Å; E176-R179 IonicContact OE1-CZ 2.88Å; E176-R179 IonicContact OE1-NE 3.89Å; E176-R179 PolarHBondContact OE1-NE 3Å; E176-R179 IonicContact OE1-NH2 3.38Å; E176-R179 PolarHBondContact OE1-NH2 2.93Å; E176-R179 IonicContact OE2-CZ 3.87Å; E176-R179 IonicContact OE2-NE 2.57Å; E176-R179 PolarHBondContact OE2-NE 3.21Å; E176-R179 IonicContact OE2-NH2 3.5Å; R179-A183 WeakPolarHBondContact O-CB 3.41Å; R179-A183 PolarHBondContact O-N 2.82Å |
| 180 | Q | 98.1 | Very high | 96.9 | Very high | 97 Ų | 97 | 109.3 Ų | 109.3 | 45% | 0.453 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 175.1 | -71.3 | 176.5 | 14.5 | 0 | 0 | 111.6 | E176 L177 R178 D182 A183 V184 | E176-Q180 WeakPolarHBondContact O-CG 3.4Å; E176-Q180 PolarHBondContact O-N 3.48Å; E176-Q180 PolarHBondContact OE1-NE2 3.46Å; L177-Q180 PolarHBondContact O-N 3.19Å; R178-Q180 VanDerWaalsContact C-N 3.3Å; R178-Q180 PolarHBondContact O-N 2.76Å; Q180-D182 VanDerWaalsContact C-N 3.34Å; Q180-D182 PolarHBondContact O-N 2.72Å; Q180-A183 PolarHBondContact O-N 2.86Å; Q180-V184 WeakPolarHBondContact O-CG2 3.29Å; Q180-V184 PolarHBondContact O-N 3.38Å |
| 181 | L | 98 | Very high | 97 | Very high | 126 Ų | 126 | 109.3 Ų | 109.3 | 66% | 0.66 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.7 | -44.5 | 175.6 | -175.7 | 66.6 | 0 | 0 | 0 | 111.6 | L177 R178 G185 | L177-L181 WeakPolarHBondContact O-CB 3.2Å; L177-L181 PolarHBondContact O-N 2.89Å; R178-L181 PolarHBondContact O-N 3.46Å; L181-G185 PolarHBondContact O-N 3.1Å |
| 182 | D | 98.2 | Very high | 97.2 | Very high | 102 Ų | 102 | 107.8 Ų | 107.8 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.1 | -37.6 | 177.3 | -69.2 | -19.3 | 0 | 0 | 0 | 112 | R178 Q180 G185 K186 | R178-D182 PolarHBondContact O-N 2.92Å; Q180-D182 VanDerWaalsContact C-N 3.34Å; Q180-D182 PolarHBondContact O-N 2.72Å; D182-G185 PolarHBondContact O-N 2.87Å; D182-K186 WeakPolarHBondContact O-CG 3.35Å; D182-K186 PolarHBondContact O-N 2.93Å |
| 183 | A | 97.9 | Very high | 97.3 | Very high | 41 Ų | 41 | 107.8 Ų | 107.8 | 34% | 0.339 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.3 | -50.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R179 Q180 G185 K186 E187 | R179-A183 WeakPolarHBondContact O-CB 3.41Å; R179-A183 PolarHBondContact O-N 2.82Å; Q180-A183 PolarHBondContact O-N 2.86Å; A183-G185 VanDerWaalsContact C-N 3.28Å; A183-G185 PolarHBondContact O-N 2.92Å; A183-K186 PolarHBondContact O-N 3.5Å; A183-E187 PolarHBondContact O-N 3.11Å |
| 184 | V | 97.6 | Very high | 97.2 | Very high | 90 Ų | 90 | 107.1 Ų | 107.1 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -36.3 | 176.3 | 174.3 | 0 | 0 | 0 | 0 | 111 | Q180 E187 R188 | Q180-V184 WeakPolarHBondContact O-CG2 3.29Å; Q180-V184 PolarHBondContact O-N 3.38Å; V184-E187 PolarHBondContact O-N 3.35Å; V184-R188 WeakPolarHBondContact O-CB 3.43Å; V184-R188 PolarHBondContact O-N 2.75Å |
| 185 | G | 98.1 | Very high | 97.1 | Very high | 18 Ų | 18 | 109.9 Ų | 109.9 | 19% | 0.186 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L181 D182 A183 R188 D189 | L181-G185 PolarHBondContact O-N 3.1Å; D182-G185 PolarHBondContact O-N 2.87Å; A183-G185 VanDerWaalsContact C-N 3.28Å; A183-G185 PolarHBondContact O-N 2.92Å; G185-R188 PolarHBondContact O-N 3.41Å; G185-D189 PolarHBondContact O-N 3.4Å |
| 186 | K | 98.3 | Very high | 96.9 | Very high | 141 Ų | 141 | 105.4 Ų | 105.4 | 61% | 0.613 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.9 | -43.7 | 175.9 | -72.5 | 171.6 | -177.1 | 178.6 | 0 | 112.6 | D182 A183 R188 D189 Q190 | D182-K186 WeakPolarHBondContact O-CG 3.35Å; D182-K186 PolarHBondContact O-N 2.93Å; A183-K186 PolarHBondContact O-N 3.5Å; K186-R188 VanDerWaalsContact C-N 3.35Å; K186-D189 PolarHBondContact O-N 3.28Å; K186-Q190 VanDerWaalsContact O-CG 3.29Å; K186-Q190 WeakPolarHBondContact O-CG 3.47Å; K186-Q190 PolarHBondContact O-N 3.15Å |
| 187 | E | 97.8 | Very high | 96.6 | Very high | 100 Ų | 100 | 105.9 Ų | 105.9 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 176.4 | -72.6 | 177.9 | -179.6 | 0 | 0 | 111.2 | A183 V184 D189 Q190 Y191 | A183-E187 PolarHBondContact O-N 3.11Å; V184-E187 PolarHBondContact O-N 3.35Å; E187-D189 VanDerWaalsContact C-N 3.34Å; E187-D189 PolarHBondContact O-N 2.83Å; E187-Q190 WeakPolarHBondContact O-CB 3.13Å; E187-Q190 PolarHBondContact O-N 2.91Å; E187-Y191 HydrophobicContact CB-CE2 4.23Å; E187-Y191 WeakPolarHBondContact O-CD2 3.31Å; E187-Y191 PolarHBondContact O-N 2.7Å |
| 188 | R | 97.8 | Very high | 96.2 | Very high | 156 Ų | 156 | 106.2 Ų | 106.2 | 59% | 0.589 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -57.3 | -48.1 | 174 | -179 | -157.5 | 66.6 | -161.3 | -3.9 | 111.2 | V184 G185 K186 Q190 Y191 Q192 | V184-R188 WeakPolarHBondContact O-CB 3.43Å; V184-R188 PolarHBondContact O-N 2.75Å; G185-R188 PolarHBondContact O-N 3.41Å; K186-R188 VanDerWaalsContact C-N 3.35Å; R188-Q190 VanDerWaalsContact C-N 3.31Å; R188-Q190 PolarHBondContact O-N 3.37Å; R188-Y191 PolarHBondContact O-N 3.41Å; R188-Q192 VanDerWaalsContact O-CB 3.25Å; R188-Q192 WeakPolarHBondContact O-CB 3.39Å; R188-Q192 PolarHBondContact O-N 3.13Å |
| 189 | D | 96.8 | Very high | 95.8 | Very high | 85 Ų | 85 | 101.1 Ų | 101.1 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.4 | -34.8 | -178.3 | -64.3 | -13.3 | 0 | 0 | 0 | 111.6 | G185 K186 E187 Q192 L193 | G185-D189 PolarHBondContact O-N 3.4Å; K186-D189 PolarHBondContact O-N 3.28Å; E187-D189 VanDerWaalsContact C-N 3.34Å; E187-D189 PolarHBondContact O-N 2.83Å; D189-Q192 PolarHBondContact O-N 3.49Å; D189-L193 PolarHBondContact O-N 2.84Å; D189-L193 VanDerWaalsContact O-N 3.08Å |
| 190 | Q | 97.8 | Very high | 95.5 | Very high | 119 Ų | 119 | 100 Ų | 100 | 56% | 0.556 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63 | -51.1 | 171.5 | -74.2 | 172.9 | -1.8 | 0 | 0 | 111.8 | K186 E187 R188 Q192 L193 E194 | K186-Q190 VanDerWaalsContact O-CG 3.29Å; K186-Q190 WeakPolarHBondContact O-CG 3.47Å; K186-Q190 PolarHBondContact O-N 3.15Å; E187-Q190 WeakPolarHBondContact O-CB 3.13Å; E187-Q190 PolarHBondContact O-N 2.91Å; R188-Q190 VanDerWaalsContact C-N 3.31Å; R188-Q190 PolarHBondContact O-N 3.37Å; Q190-Q192 VanDerWaalsContact C-N 3.26Å; Q190-Q192 PolarHBondContact O-N 3.27Å; Q190-L193 PolarHBondContact O-N 3.05Å; Q190-E194 PolarHBondContact O-N 2.77Å |
| 191 | Y | 93.8 | Very high | 95.1 | Very high | 148 Ų | 148 | 99.5 Ų | 99.5 | 58% | 0.58 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.5 | -33.8 | 177.9 | -68.9 | -48.6 | 0 | 0 | 0 | 112.7 | E187 R188 E194 R195 | E187-Y191 HydrophobicContact CB-CE2 4.23Å; E187-Y191 WeakPolarHBondContact O-CD2 3.31Å; E187-Y191 PolarHBondContact O-N 2.7Å; R188-Y191 PolarHBondContact O-N 3.41Å; Y191-E194 PolarHBondContact O-N 2.83Å; Y191-R195 VanDerWaalsContact O-CB 3.24Å; Y191-R195 WeakPolarHBondContact O-CB 3.41Å; Y191-R195 PolarHBondContact O-N 3.16Å |
| 192 | Q | 95.9 | Very high | 94.5 | Very high | 80 Ų | 80 | 98 Ų | 98 | 37% | 0.374 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 175.1 | -178.1 | 62 | 33.6 | 0 | 0 | 111 | R188 D189 Q190 R195 D196 | R188-Q192 VanDerWaalsContact O-CB 3.25Å; R188-Q192 WeakPolarHBondContact O-CB 3.39Å; R188-Q192 PolarHBondContact O-N 3.13Å; D189-Q192 PolarHBondContact O-N 3.49Å; Q190-Q192 VanDerWaalsContact C-N 3.26Å; Q190-Q192 PolarHBondContact O-N 3.27Å; Q192-R195 WeakPolarHBondContact O-CB 3.26Å; Q192-R195 PolarHBondContact O-N 2.93Å; Q192-D196 PolarHBondContact NE2-OD1 3.09Å; Q192-D196 PolarHBondContact NE2-OD2 3.36Å; Q192-D196 WeakPolarHBondContact O-CB 3.49Å; Q192-D196 PolarHBondContact O-N 3.43Å |
| 193 | L | 96 | Very high | 94.1 | Very high | 108 Ų | 108 | 96.3 Ų | 96.3 | 57% | 0.565 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.6 | -41.7 | 176.8 | -173.8 | 138.8 | 0 | 0 | 0 | 112.2 | D189 Q190 R195 D196 N197 | D189-L193 PolarHBondContact O-N 2.84Å; D189-L193 VanDerWaalsContact O-N 3.08Å; Q190-L193 PolarHBondContact O-N 3.05Å; L193-R195 VanDerWaalsContact C-N 3.33Å; L193-R195 PolarHBondContact O-N 3.04Å; L193-D196 PolarHBondContact O-N 3.41Å; L193-N197 WeakPolarHBondContact CD2-ND2 3.38Å; L193-N197 WeakPolarHBondContact O-CB 3.44Å; L193-N197 VanDerWaalsContact O-CG 3.23Å; L193-N197 PolarHBondContact O-N 3.32Å; L193-N197 PolarHBondContact O-ND2 3.32Å |
| 194 | E | 94.8 | Very high | 93.8 | Very high | 106 Ų | 106 | 98 Ų | 98 | 50% | 0.495 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 173.8 | -72.9 | 179.3 | -176.7 | 0 | 0 | 111.9 | Q190 Y191 D196 N197 L198 | Q190-E194 PolarHBondContact O-N 2.77Å; Y191-E194 PolarHBondContact O-N 2.83Å; E194-D196 VanDerWaalsContact C-N 3.35Å; E194-D196 PolarHBondContact O-N 2.88Å; E194-N197 PolarHBondContact O-N 2.94Å; E194-L198 WeakPolarHBondContact O-CB 3.47Å; E194-L198 VanDerWaalsContact O-CG 3.27Å; E194-L198 WeakPolarHBondContact O-CG 3.5Å; E194-L198 PolarHBondContact O-N 2.93Å |
| 195 | R | 93.1 | Very high | 93.2 | Very high | 146 Ų | 146 | 99.1 Ų | 99.1 | 55% | 0.551 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.2 | -45.2 | 175.4 | -176.3 | -155.4 | 76.2 | 153.6 | 8.7 | 111.4 | Y191 Q192 L193 L198 A199 | Y191-R195 VanDerWaalsContact O-CB 3.24Å; Y191-R195 WeakPolarHBondContact O-CB 3.41Å; Y191-R195 PolarHBondContact O-N 3.16Å; Q192-R195 WeakPolarHBondContact O-CB 3.26Å; Q192-R195 PolarHBondContact O-N 2.93Å; L193-R195 VanDerWaalsContact C-N 3.33Å; L193-R195 PolarHBondContact O-N 3.04Å; R195-L198 PolarHBondContact O-N 3.44Å; R195-A199 WeakPolarHBondContact O-CB 3.45Å; R195-A199 PolarHBondContact O-N 3.28Å |
| 196 | D | 94.3 | Very high | 92.5 | Very high | 59 Ų | 59 | 104.2 Ų | 104.2 | 32% | 0.316 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.8 | -43 | -178.6 | -66.8 | -16.5 | 0 | 0 | 0 | 110.7 | Q192 L193 E194 L198 A199 E200 | Q192-D196 PolarHBondContact NE2-OD1 3.09Å; Q192-D196 PolarHBondContact NE2-OD2 3.36Å; Q192-D196 WeakPolarHBondContact O-CB 3.49Å; Q192-D196 PolarHBondContact O-N 3.43Å; L193-D196 PolarHBondContact O-N 3.41Å; E194-D196 VanDerWaalsContact C-N 3.35Å; E194-D196 PolarHBondContact O-N 2.88Å; D196-L198 PolarHBondContact O-N 3.46Å; D196-A199 WeakPolarHBondContact O-CB 3.46Å; D196-A199 PolarHBondContact O-N 3.43Å; D196-E200 WeakPolarHBondContact O-CG 3.28Å; D196-E200 PolarHBondContact O-N 2.87Å |
| 197 | N | 91.3 | Very high | 91.9 | Very high | 77 Ų | 77 | 102.6 Ų | 102.6 | 41% | 0.412 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.7 | -46.6 | 172.7 | -69.4 | -16.4 | 0 | 0 | 0 | 112.3 | L193 E194 A199 E200 D201 | L193-N197 WeakPolarHBondContact CD2-ND2 3.38Å; L193-N197 WeakPolarHBondContact O-CB 3.44Å; L193-N197 VanDerWaalsContact O-CG 3.23Å; L193-N197 PolarHBondContact O-N 3.32Å; L193-N197 PolarHBondContact O-ND2 3.32Å; E194-N197 PolarHBondContact O-N 2.94Å; N197-A199 VanDerWaalsContact C-N 3.28Å; N197-A199 PolarHBondContact O-N 2.87Å; N197-E200 PolarHBondContact O-N 3.27Å; N197-D201 PolarHBondContact O-N 2.99Å |
| 198 | L | 89 | Confident | 91.5 | Very high | 114 Ų | 114 | 105.4 Ų | 105.4 | 60% | 0.597 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.8 | -33.1 | 177.8 | -72.8 | 173.8 | 0 | 0 | 0 | 112.2 | E194 R195 D196 L202 | E194-L198 WeakPolarHBondContact O-CB 3.47Å; E194-L198 VanDerWaalsContact O-CG 3.27Å; E194-L198 WeakPolarHBondContact O-CG 3.5Å; E194-L198 PolarHBondContact O-N 2.93Å; R195-L198 PolarHBondContact O-N 3.44Å; D196-L198 PolarHBondContact O-N 3.46Å; L198-L202 WeakPolarHBondContact O-CB 3.49Å; L198-L202 PolarHBondContact O-N 3.23Å |
| 199 | A | 88.2 | Confident | 90.9 | Very high | 56 Ų | 56 | 103.6 Ų | 103.6 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.2 | -40.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R195 D196 N197 L202 S203 | R195-A199 WeakPolarHBondContact O-CB 3.45Å; R195-A199 PolarHBondContact O-N 3.28Å; D196-A199 WeakPolarHBondContact O-CB 3.46Å; D196-A199 PolarHBondContact O-N 3.43Å; N197-A199 VanDerWaalsContact C-N 3.28Å; N197-A199 PolarHBondContact O-N 2.87Å; A199-L202 PolarHBondContact O-N 3.04Å; A199-S203 WeakPolarHBondContact O-CB 3.45Å; A199-S203 PolarHBondContact O-N 3.44Å |
| 200 | E | 92.4 | Very high | 90.4 | Very high | 130 Ų | 130 | 104.7 Ų | 104.7 | 61% | 0.607 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.7 | -48.7 | 173.3 | -71.2 | -178.9 | -173.9 | 0 | 0 | 111.5 | D196 N197 L202 S203 L204 | D196-E200 WeakPolarHBondContact O-CG 3.28Å; D196-E200 PolarHBondContact O-N 2.87Å; N197-E200 PolarHBondContact O-N 3.27Å; E200-L202 VanDerWaalsContact C-N 3.32Å; E200-L202 PolarHBondContact O-N 2.88Å; E200-S203 WeakPolarHBondContact O-CB 3.44Å; E200-S203 PolarHBondContact O-N 2.93Å; E200-S203 VanDerWaalsContact O-N 3.09Å; E200-S203 PolarHBondContact O-OG 3.14Å; E200-L204 PolarHBondContact O-N 3.35Å |
| 201 | D | 90.1 | Very high | 89.8 | Confident | 88 Ų | 88 | 103.1 Ų | 103.1 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.9 | -43.5 | 176.9 | -78.8 | -19.8 | 0 | 0 | 0 | 112 | N197 S203 L204 I205 | N197-D201 PolarHBondContact O-N 2.99Å; D201-S203 VanDerWaalsContact C-N 3.32Å; D201-S203 PolarHBondContact O-N 3.5Å; D201-L204 PolarHBondContact O-N 3.37Å; D201-I205 VanDerWaalsContact O-CG1 3.3Å; D201-I205 WeakPolarHBondContact O-CG1 3.32Å; D201-I205 PolarHBondContact O-N 2.93Å |
| 202 | L | 85.3 | Confident | 89.4 | Confident | 93 Ų | 93 | 101.5 Ų | 101.5 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 176.5 | -173.3 | 160.6 | 0 | 0 | 0 | 110.9 | L198 A199 E200 I205 K206 | L198-L202 WeakPolarHBondContact O-CB 3.49Å; L198-L202 PolarHBondContact O-N 3.23Å; A199-L202 PolarHBondContact O-N 3.04Å; E200-L202 VanDerWaalsContact C-N 3.32Å; E200-L202 PolarHBondContact O-N 2.88Å; L202-I205 PolarHBondContact O-N 3.35Å; L202-K206 HydrophobicContact CD2-CD 3.62Å; L202-K206 HydrophobicContact CD2-CG 4.12Å; L202-K206 WeakPolarHBondContact O-CB 3.39Å; L202-K206 WeakPolarHBondContact O-CG 3.43Å; L202-K206 PolarHBondContact O-N 2.77Å |
| 203 | S | 89.9 | Confident | 88.7 | Confident | 68 Ų | 68 | 100.3 Ų | 100.3 | 48% | 0.476 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 175.8 | 80.7 | 0 | 0 | 0 | 0 | 112.1 | A199 E200 D201 K206 Q207 | A199-S203 WeakPolarHBondContact O-CB 3.45Å; A199-S203 PolarHBondContact O-N 3.44Å; E200-S203 WeakPolarHBondContact O-CB 3.44Å; E200-S203 PolarHBondContact O-N 2.93Å; E200-S203 VanDerWaalsContact O-N 3.09Å; E200-S203 PolarHBondContact O-OG 3.14Å; D201-S203 VanDerWaalsContact C-N 3.32Å; D201-S203 PolarHBondContact O-N 3.5Å; S203-K206 PolarHBondContact O-N 3.42Å; S203-Q207 PolarHBondContact O-N 3.47Å |
| 204 | L | 91 | Very high | 88.1 | Confident | 75 Ų | 75 | 100.4 Ų | 100.4 | 39% | 0.393 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 177.7 | -174.3 | 74.6 | 0 | 0 | 0 | 111.6 | E200 D201 Q207 R208 | E200-L204 PolarHBondContact O-N 3.35Å; D201-L204 PolarHBondContact O-N 3.37Å; L204-Q207 PolarHBondContact O-N 3.02Å; L204-R208 WeakPolarHBondContact O-CG 3.33Å; L204-R208 PolarHBondContact O-N 2.99Å |
| 205 | I | 85.3 | Confident | 87.7 | Confident | 114 Ų | 114 | 100.9 Ų | 100.9 | 59% | 0.585 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.5 | -40.7 | 177.4 | -69 | 168.4 | 0 | 0 | 0 | 110.7 | D201 L202 R208 L209 | D201-I205 VanDerWaalsContact O-CG1 3.3Å; D201-I205 WeakPolarHBondContact O-CG1 3.32Å; D201-I205 PolarHBondContact O-N 2.93Å; L202-I205 PolarHBondContact O-N 3.35Å; I205-R208 PolarHBondContact O-N 2.98Å; I205-L209 WeakPolarHBondContact O-CB 3.33Å; I205-L209 PolarHBondContact O-N 2.96Å |
| 206 | K | 83.3 | Confident | 87.4 | Confident | 125 Ų | 125 | 101.8 Ų | 101.8 | 54% | 0.543 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.1 | -48.2 | 173.7 | -79.7 | -179.3 | 175.1 | 170.4 | 0 | 111.7 | L202 S203 R208 L209 D210 | L202-K206 HydrophobicContact CD2-CD 3.62Å; L202-K206 HydrophobicContact CD2-CG 4.12Å; L202-K206 WeakPolarHBondContact O-CB 3.39Å; L202-K206 WeakPolarHBondContact O-CG 3.43Å; L202-K206 PolarHBondContact O-N 2.77Å; S203-K206 PolarHBondContact O-N 3.42Å; K206-R208 VanDerWaalsContact C-N 3.32Å; K206-R208 PolarHBondContact O-N 3.41Å; K206-L209 WeakPolarHBondContact O-CB 3.29Å; K206-L209 PolarHBondContact O-N 3.01Å; K206-L209 VanDerWaalsContact O-N 3.13Å; K206-D210 PolarHBondContact O-N 3.4Å |
| 207 | Q | 87.1 | Confident | 86.8 | Confident | 108 Ų | 108 | 101.1 Ų | 101.1 | 51% | 0.505 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.3 | -45.4 | 177.2 | -175.5 | -174 | -20.2 | 0 | 0 | 111.5 | S203 L204 L209 D210 E211 | S203-Q207 PolarHBondContact O-N 3.47Å; L204-Q207 PolarHBondContact O-N 3.02Å; Q207-L209 VanDerWaalsContact C-N 3.31Å; Q207-L209 PolarHBondContact O-N 3.22Å; Q207-D210 PolarHBondContact O-N 3.04Å; Q207-E211 PolarHBondContact NE2-OE1 2.93Å; Q207-E211 WeakPolarHBondContact O-CG 3.25Å; Q207-E211 PolarHBondContact O-N 2.87Å |
| 208 | R | 88.8 | Confident | 86.5 | Confident | 159 Ų | 159 | 101.1 Ų | 101.1 | 60% | 0.6 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.7 | -37.6 | 176.7 | -74.6 | -179.1 | 179.2 | -179.5 | 2.7 | 112.8 | L204 I205 K206 E212 | L204-R208 WeakPolarHBondContact O-CG 3.33Å; L204-R208 PolarHBondContact O-N 2.99Å; I205-R208 PolarHBondContact O-N 2.98Å; K206-R208 VanDerWaalsContact C-N 3.32Å; K206-R208 PolarHBondContact O-N 3.41Å; R208-E212 WeakPolarHBondContact O-CB 3.42Å; R208-E212 PolarHBondContact O-N 2.87Å |
| 209 | L | 85.8 | Confident | 86.3 | Confident | 117 Ų | 117 | 98.3 Ų | 98.3 | 61% | 0.613 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.4 | -44.3 | 176.2 | -178.8 | 68.9 | 0 | 0 | 0 | 111 | I205 K206 Q207 E212 A213 | I205-L209 WeakPolarHBondContact O-CB 3.33Å; I205-L209 PolarHBondContact O-N 2.96Å; K206-L209 WeakPolarHBondContact O-CB 3.29Å; K206-L209 PolarHBondContact O-N 3.01Å; K206-L209 VanDerWaalsContact O-N 3.13Å; Q207-L209 VanDerWaalsContact C-N 3.31Å; Q207-L209 PolarHBondContact O-N 3.22Å; L209-E212 PolarHBondContact O-N 3.25Å; L209-A213 WeakPolarHBondContact O-CB 3.47Å; L209-A213 PolarHBondContact O-N 2.95Å |
| 210 | D | 85.1 | Confident | 86.5 | Confident | 109 Ų | 109 | 100.1 Ų | 100.1 | 58% | 0.583 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.4 | -42.5 | 178.1 | -66.8 | -24 | 0 | 0 | 0 | 111.3 | K206 Q207 E212 A213 Q214 | K206-D210 PolarHBondContact O-N 3.4Å; Q207-D210 PolarHBondContact O-N 3.04Å; D210-E212 PolarHBondContact O-N 3.39Å; D210-A213 PolarHBondContact O-N 2.89Å; D210-Q214 PolarHBondContact O-N 3.37Å |
| 211 | E | 86.4 | Confident | 86.4 | Confident | 86 Ų | 86 | 97.7 Ų | 97.7 | 40% | 0.402 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 174 | -73.8 | 173.5 | -166.9 | 0 | 0 | 112.1 | Q207 Q214 K215 | Q207-E211 PolarHBondContact NE2-OE1 2.93Å; Q207-E211 WeakPolarHBondContact O-CG 3.25Å; Q207-E211 PolarHBondContact O-N 2.87Å; E211-Q214 PolarHBondContact O-N 3.14Å; E211-K215 WeakPolarHBondContact O-CG 3.32Å; E211-K215 PolarHBondContact O-N 2.9Å |
| 212 | E | 85.5 | Confident | 86.5 | Confident | 113 Ų | 113 | 97.8 Ų | 97.8 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72 | -36.2 | 178.9 | -161.4 | 62.1 | -158.7 | 0 | 0 | 112.1 | R208 L209 D210 Q214 K215 R216 | R208-E212 WeakPolarHBondContact O-CB 3.42Å; R208-E212 PolarHBondContact O-N 2.87Å; L209-E212 PolarHBondContact O-N 3.25Å; D210-E212 PolarHBondContact O-N 3.39Å; E212-Q214 VanDerWaalsContact C-N 3.34Å; E212-K215 PolarHBondContact O-N 3.37Å; E212-K215 IonicContact OE2-NZ 2.77Å; E212-K215 PolarHBondContact OE2-NZ 2.93Å; E212-R216 WeakPolarHBondContact O-CB 3.38Å; E212-R216 PolarHBondContact O-N 2.94Å |
| 213 | A | 80.3 | Confident | 86.8 | Confident | 56 Ų | 56 | 97.3 Ų | 97.3 | 46% | 0.463 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L209 D210 R216 A217 | L209-A213 WeakPolarHBondContact O-CB 3.47Å; L209-A213 PolarHBondContact O-N 2.95Å; D210-A213 PolarHBondContact O-N 2.89Å; A213-R216 PolarHBondContact O-N 2.86Å; A213-A217 PolarHBondContact O-N 3.13Å |
| 214 | Q | 84.2 | Confident | 87 | Confident | 110 Ų | 110 | 98.7 Ų | 98.7 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -48.2 | 175.3 | -174.5 | 60.3 | 38.8 | 0 | 0 | 111.5 | D210 E211 E212 R216 A217 D218 | D210-Q214 PolarHBondContact O-N 3.37Å; E211-Q214 PolarHBondContact O-N 3.14Å; E212-Q214 VanDerWaalsContact C-N 3.34Å; Q214-R216 VanDerWaalsContact C-N 3.27Å; Q214-R216 PolarHBondContact O-N 2.84Å; Q214-A217 WeakPolarHBondContact O-CB 3.27Å; Q214-A217 PolarHBondContact O-N 2.91Å; Q214-A217 VanDerWaalsContact O-N 3.13Å; Q214-D218 PolarHBondContact NE2-OD1 3.5Å; Q214-D218 VanDerWaalsContact O-CG 3.29Å; Q214-D218 PolarHBondContact O-N 3.47Å |
| 215 | K | 86 | Confident | 87.1 | Confident | 116 Ų | 116 | 97.2 Ų | 97.2 | 50% | 0.504 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.7 | -39.6 | 176.4 | -72.1 | 172.6 | -164.1 | 160.5 | 0 | 112.2 | E211 E212 D218 A219 | E211-K215 WeakPolarHBondContact O-CG 3.32Å; E211-K215 PolarHBondContact O-N 2.9Å; E212-K215 PolarHBondContact O-N 3.37Å; E212-K215 IonicContact OE2-NZ 2.77Å; E212-K215 PolarHBondContact OE2-NZ 2.93Å; K215-D218 PolarHBondContact O-N 3.3Å; K215-A219 WeakPolarHBondContact O-CB 3.46Å; K215-A219 PolarHBondContact O-N 2.94Å |
| 216 | R | 85.8 | Confident | 87.6 | Confident | 165 Ų | 165 | 98.1 Ų | 98.1 | 62% | 0.623 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.9 | -46.9 | 175.5 | -177.5 | -174 | 169.2 | 96.9 | 10.3 | 110.9 | E212 A213 Q214 D218 A219 E220 | E212-R216 WeakPolarHBondContact O-CB 3.38Å; E212-R216 PolarHBondContact O-N 2.94Å; A213-R216 PolarHBondContact O-N 2.86Å; Q214-R216 VanDerWaalsContact C-N 3.27Å; Q214-R216 PolarHBondContact O-N 2.84Å; R216-D218 VanDerWaalsContact C-N 3.33Å; R216-D218 PolarHBondContact O-N 3.07Å; R216-A219 PolarHBondContact O-N 3.29Å; R216-E220 HydrophobicContact CG-CG 4.46Å; R216-E220 IonicContact CZ-OE1 3.46Å; R216-E220 IonicContact NE-OE1 3.57Å; R216-E220 PolarHBondContact NE-OE1 3.16Å; R216-E220 IonicContact NH2-OE1 3.13Å; R216-E220 PolarHBondContact NH2-OE1 3.47Å; R216-E220 WeakPolarHBondContact O-CB 3.47Å; R216-E220 WeakPolarHBondContact O-CG 3.3Å; R216-E220 PolarHBondContact O-N 2.86Å |
| 217 | A | 82 | Confident | 88.3 | Confident | 45 Ų | 45 | 99.9 Ų | 99.9 | 37% | 0.372 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A213 Q214 E220 S221 | A213-A217 PolarHBondContact O-N 3.13Å; Q214-A217 WeakPolarHBondContact O-CB 3.27Å; Q214-A217 PolarHBondContact O-N 2.91Å; Q214-A217 VanDerWaalsContact O-N 3.13Å; A217-E220 PolarHBondContact O-N 3.42Å; A217-S221 WeakPolarHBondContact O-CB 3.5Å; A217-S221 PolarHBondContact O-N 3.28Å |
| 218 | D | 86 | Confident | 88.8 | Confident | 76 Ų | 76 | 101 Ų | 101 | 41% | 0.406 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 176 | -64.8 | -19 | 0 | 0 | 0 | 111.3 | Q214 K215 R216 S221 N222 | Q214-D218 PolarHBondContact NE2-OD1 3.5Å; Q214-D218 VanDerWaalsContact O-CG 3.29Å; Q214-D218 PolarHBondContact O-N 3.47Å; K215-D218 PolarHBondContact O-N 3.3Å; R216-D218 VanDerWaalsContact C-N 3.33Å; R216-D218 PolarHBondContact O-N 3.07Å; D218-S221 PolarHBondContact O-N 2.93Å; D218-N222 WeakPolarHBondContact O-CB 3.42Å; D218-N222 VanDerWaalsContact O-CG 3.23Å; D218-N222 PolarHBondContact O-N 3.49Å; D218-N222 PolarHBondContact O-ND2 3.34Å; D218-N222 VanDerWaalsContact O-ND2 3.14Å |
| 219 | A | 84.8 | Confident | 89.2 | Confident | 56 Ų | 56 | 97.8 Ų | 97.8 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K215 R216 N222 L223 | K215-A219 WeakPolarHBondContact O-CB 3.46Å; K215-A219 PolarHBondContact O-N 2.94Å; R216-A219 PolarHBondContact O-N 3.29Å; A219-N222 PolarHBondContact O-N 3.06Å; A219-L223 WeakPolarHBondContact O-CB 3.35Å; A219-L223 PolarHBondContact O-N 2.86Å |
| 220 | E | 90.8 | Very high | 89.8 | Confident | 93 Ų | 93 | 96.4 Ų | 96.4 | 44% | 0.435 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 174.3 | -75.1 | 177.8 | 178.4 | 0 | 0 | 111.3 | R216 A217 L223 V224 | R216-E220 HydrophobicContact CG-CG 4.46Å; R216-E220 IonicContact CZ-OE1 3.46Å; R216-E220 IonicContact NE-OE1 3.57Å; R216-E220 PolarHBondContact NE-OE1 3.16Å; R216-E220 IonicContact NH2-OE1 3.13Å; R216-E220 PolarHBondContact NH2-OE1 3.47Å; R216-E220 WeakPolarHBondContact O-CB 3.47Å; R216-E220 WeakPolarHBondContact O-CG 3.3Å; R216-E220 PolarHBondContact O-N 2.86Å; A217-E220 PolarHBondContact O-N 3.42Å; E220-L223 PolarHBondContact O-N 2.81Å; E220-V224 WeakPolarHBondContact O-CG2 3.38Å; E220-V224 PolarHBondContact O-N 3.39Å |
| 221 | S | 90.5 | Very high | 90.4 | Very high | 79 Ų | 79 | 95.7 Ų | 95.7 | 55% | 0.552 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.3 | -47.4 | 174.9 | -171.2 | 0 | 0 | 0 | 0 | 111.8 | A217 D218 L223 V224 A225 | A217-S221 WeakPolarHBondContact O-CB 3.5Å; A217-S221 PolarHBondContact O-N 3.28Å; D218-S221 PolarHBondContact O-N 2.93Å; S221-L223 VanDerWaalsContact C-N 3.33Å; S221-L223 PolarHBondContact O-N 3.12Å; S221-V224 PolarHBondContact O-N 2.91Å; S221-A225 PolarHBondContact O-N 3.46Å |
| 222 | N | 91.9 | Very high | 90.9 | Very high | 90 Ų | 90 | 95.1 Ų | 95.1 | 48% | 0.481 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 176.6 | -71.4 | -30.5 | 0 | 0 | 0 | 112.2 | D218 A219 A225 F226 | D218-N222 WeakPolarHBondContact O-CB 3.42Å; D218-N222 VanDerWaalsContact O-CG 3.23Å; D218-N222 PolarHBondContact O-N 3.49Å; D218-N222 PolarHBondContact O-ND2 3.34Å; D218-N222 VanDerWaalsContact O-ND2 3.14Å; A219-N222 PolarHBondContact O-N 3.06Å; N222-A225 WeakPolarHBondContact O-CB 3.47Å; N222-A225 PolarHBondContact O-N 3.33Å; N222-F226 HydrophobicContact CB-CE2 4.35Å; N222-F226 VanDerWaalsContact O-CD2 3.24Å; N222-F226 WeakPolarHBondContact O-CD2 3.24Å; N222-F226 WeakPolarHBondContact O-CG 3.5Å; N222-F226 PolarHBondContact O-N 2.86Å |
| 223 | L | 92.1 | Very high | 91.5 | Very high | 84 Ų | 84 | 92.6 Ų | 92.6 | 44% | 0.44 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 176.2 | -171.7 | 165.3 | 0 | 0 | 0 | 111 | A219 E220 S221 A225 F226 R227 | A219-L223 WeakPolarHBondContact O-CB 3.35Å; A219-L223 PolarHBondContact O-N 2.86Å; E220-L223 PolarHBondContact O-N 2.81Å; S221-L223 VanDerWaalsContact C-N 3.33Å; S221-L223 PolarHBondContact O-N 3.12Å; L223-A225 VanDerWaalsContact C-N 3.33Å; L223-A225 PolarHBondContact O-N 2.91Å; L223-F226 PolarHBondContact O-N 3.01Å; L223-R227 HydrophobicContact CD2-CG 4.05Å; L223-R227 VanDerWaalsContact CD2-NE 3.29Å; L223-R227 WeakPolarHBondContact O-CG 3.36Å; L223-R227 PolarHBondContact O-N 3.37Å |
| 224 | V | 93.9 | Very high | 92.4 | Very high | 96 Ų | 96 | 92.4 Ų | 92.4 | 58% | 0.582 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.8 | -42.2 | 175.7 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | E220 S221 R227 K228 | E220-V224 WeakPolarHBondContact O-CG2 3.38Å; E220-V224 PolarHBondContact O-N 3.39Å; S221-V224 PolarHBondContact O-N 2.91Å; V224-R227 PolarHBondContact O-N 3.32Å; V224-K228 PolarHBondContact O-N 3.47Å; V224-K228 VanDerWaalsContact O-N 3.14Å |
| 225 | A | 93.3 | Very high | 93 | Very high | 45 Ų | 45 | 91.7 Ų | 91.7 | 37% | 0.372 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.6 | -48.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S221 N222 L223 R227 K228 D229 | S221-A225 PolarHBondContact O-N 3.46Å; N222-A225 WeakPolarHBondContact O-CB 3.47Å; N222-A225 PolarHBondContact O-N 3.33Å; L223-A225 VanDerWaalsContact C-N 3.33Å; L223-A225 PolarHBondContact O-N 2.91Å; A225-R227 VanDerWaalsContact C-N 3.32Å; A225-R227 PolarHBondContact O-N 2.94Å; A225-K228 WeakPolarHBondContact O-CB 3.46Å; A225-K228 PolarHBondContact O-N 3.4Å; A225-K228 VanDerWaalsContact O-N 3.11Å; A225-D229 PolarHBondContact O-N 3.38Å |
| 226 | F | 96.6 | Very high | 93.6 | Very high | 132 Ų | 132 | 89.2 Ų | 89.2 | 58% | 0.579 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.9 | -34.1 | 178.2 | -67.8 | -38.9 | 0 | 0 | 0 | 113.5 | N222 L223 K228 D229 V230 | N222-F226 HydrophobicContact CB-CE2 4.35Å; N222-F226 VanDerWaalsContact O-CD2 3.24Å; N222-F226 WeakPolarHBondContact O-CD2 3.24Å; N222-F226 WeakPolarHBondContact O-CG 3.5Å; N222-F226 PolarHBondContact O-N 2.86Å; L223-F226 PolarHBondContact O-N 3.01Å; F226-K228 VanDerWaalsContact C-N 3.33Å; F226-D229 PolarHBondContact O-N 2.9Å; F226-V230 VanDerWaalsContact O-CG2 3.29Å; F226-V230 WeakPolarHBondContact O-CG2 3.42Å; F226-V230 PolarHBondContact O-N 3.44Å |
| 227 | R | 97.1 | Very high | 94.2 | Very high | 163 Ų | 163 | 87.5 Ų | 87.5 | 62% | 0.615 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.9 | -45.6 | 172.5 | -80.5 | -178.9 | 177.5 | 174.5 | 3.4 | 111.2 | L223 V224 A225 D229 V230 D231 | L223-R227 HydrophobicContact CD2-CG 4.05Å; L223-R227 VanDerWaalsContact CD2-NE 3.29Å; L223-R227 WeakPolarHBondContact O-CG 3.36Å; L223-R227 PolarHBondContact O-N 3.37Å; V224-R227 PolarHBondContact O-N 3.32Å; A225-R227 VanDerWaalsContact C-N 3.32Å; A225-R227 PolarHBondContact O-N 2.94Å; R227-D229 VanDerWaalsContact C-N 3.35Å; R227-D229 PolarHBondContact O-N 2.94Å; R227-V230 PolarHBondContact O-N 2.71Å; R227-D231 VanDerWaalsContact O-CG 3.3Å; R227-D231 PolarHBondContact O-N 2.91Å |
| 228 | K | 97.5 | Very high | 95 | Very high | 132 Ų | 132 | 88.9 Ų | 88.9 | 57% | 0.574 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.7 | -45.3 | 175.8 | -174.7 | -171.5 | 170.7 | -171 | 0 | 111.3 | V224 A225 F226 V230 D231 D232 | V224-K228 PolarHBondContact O-N 3.47Å; V224-K228 VanDerWaalsContact O-N 3.14Å; A225-K228 WeakPolarHBondContact O-CB 3.46Å; A225-K228 PolarHBondContact O-N 3.4Å; A225-K228 VanDerWaalsContact O-N 3.11Å; F226-K228 VanDerWaalsContact C-N 3.33Å; K228-V230 VanDerWaalsContact C-N 3.28Å; K228-V230 PolarHBondContact O-N 3.28Å; K228-D231 PolarHBondContact O-N 3.43Å; K228-D231 VanDerWaalsContact O-N 3.15Å; K228-D232 WeakPolarHBondContact CE-OD2 3.39Å; K228-D232 WeakPolarHBondContact O-CB 3.28Å; K228-D232 PolarHBondContact O-N 3.11Å |
| 229 | D | 97.5 | Very high | 95.6 | Very high | 91 Ų | 91 | 91.6 Ų | 91.6 | 49% | 0.487 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.5 | -38.3 | 178.5 | -66 | -18.3 | 0 | 0 | 0 | 111.9 | A225 F226 R227 A233 | A225-D229 PolarHBondContact O-N 3.38Å; F226-D229 PolarHBondContact O-N 2.9Å; R227-D229 VanDerWaalsContact C-N 3.35Å; R227-D229 PolarHBondContact O-N 2.94Å; D229-A233 VanDerWaalsContact O-CB 3.25Å; D229-A233 WeakPolarHBondContact O-CB 3.29Å; D229-A233 PolarHBondContact O-N 2.96Å |
| 230 | V | 98.4 | Very high | 96.2 | Very high | 88 Ų | 88 | 94.5 Ų | 94.5 | 53% | 0.533 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.3 | -47 | 173.5 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | F226 R227 K228 D232 A233 T234 | F226-V230 VanDerWaalsContact O-CG2 3.29Å; F226-V230 WeakPolarHBondContact O-CG2 3.42Å; F226-V230 PolarHBondContact O-N 3.44Å; R227-V230 PolarHBondContact O-N 2.71Å; K228-V230 VanDerWaalsContact C-N 3.28Å; K228-V230 PolarHBondContact O-N 3.28Å; V230-D232 PolarHBondContact O-N 2.97Å; V230-A233 PolarHBondContact O-N 3.44Å; V230-T234 HydrophobicContact CG1-CG2 4.34Å; V230-T234 VanDerWaalsContact O-CG2 3.27Å; V230-T234 WeakPolarHBondContact O-CG2 3.45Å; V230-T234 PolarHBondContact O-N 3.33Å; V230-T234 PolarHBondContact O-OG1 2.87Å |
| 231 | D | 97.9 | Very high | 96.6 | Very high | 94 Ų | 94 | 93.4 Ų | 93.4 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.6 | -47.6 | 177.7 | -67.9 | -24 | 0 | 0 | 0 | 110.7 | R227 K228 A233 T234 L235 | R227-D231 VanDerWaalsContact O-CG 3.3Å; R227-D231 PolarHBondContact O-N 2.91Å; K228-D231 PolarHBondContact O-N 3.43Å; K228-D231 VanDerWaalsContact O-N 3.15Å; D231-A233 VanDerWaalsContact C-N 3.34Å; D231-A233 PolarHBondContact O-N 3.46Å; D231-T234 WeakPolarHBondContact CA-OG1 3.5Å; D231-T234 PolarHBondContact O-N 3.3Å; D231-T234 VanDerWaalsContact O-N 3.13Å; D231-T234 PolarHBondContact O-OG1 3.44Å; D231-L235 WeakPolarHBondContact O-CG 3.38Å; D231-L235 PolarHBondContact O-N 3.27Å |
| 232 | D | 97.9 | Very high | 96.9 | Very high | 73 Ų | 73 | 98.1 Ų | 98.1 | 39% | 0.39 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 177.5 | -71.6 | -16.4 | 0 | 0 | 0 | 111.7 | K228 V230 L235 S236 | K228-D232 WeakPolarHBondContact CE-OD2 3.39Å; K228-D232 WeakPolarHBondContact O-CB 3.28Å; K228-D232 PolarHBondContact O-N 3.11Å; V230-D232 PolarHBondContact O-N 2.97Å; D232-L235 PolarHBondContact O-N 2.98Å; D232-S236 WeakPolarHBondContact O-CB 3.45Å; D232-S236 PolarHBondContact O-N 3.49Å; D232-S236 PolarHBondContact O-OG 2.92Å |
| 233 | A | 97.6 | Very high | 97.2 | Very high | 60 Ų | 60 | 99.9 Ų | 99.9 | 50% | 0.496 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67 | -38.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D229 V230 D231 S236 R237 | D229-A233 VanDerWaalsContact O-CB 3.25Å; D229-A233 WeakPolarHBondContact O-CB 3.29Å; D229-A233 PolarHBondContact O-N 2.96Å; V230-A233 PolarHBondContact O-N 3.44Å; D231-A233 VanDerWaalsContact C-N 3.34Å; D231-A233 PolarHBondContact O-N 3.46Å; A233-S236 PolarHBondContact O-N 2.93Å; A233-R237 WeakPolarHBondContact O-CB 3.39Å; A233-R237 PolarHBondContact O-N 2.86Å |
| 234 | T | 98.3 | Very high | 97.5 | Very high | 52 Ų | 52 | 100.6 Ų | 100.6 | 32% | 0.319 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.3 | -39.4 | 176.4 | 61.8 | 0 | 0 | 0 | 0 | 112.1 | V230 D231 R237 L238 | V230-T234 HydrophobicContact CG1-CG2 4.34Å; V230-T234 VanDerWaalsContact O-CG2 3.27Å; V230-T234 WeakPolarHBondContact O-CG2 3.45Å; V230-T234 PolarHBondContact O-N 3.33Å; V230-T234 PolarHBondContact O-OG1 2.87Å; D231-T234 WeakPolarHBondContact CA-OG1 3.5Å; D231-T234 PolarHBondContact O-N 3.3Å; D231-T234 VanDerWaalsContact O-N 3.13Å; D231-T234 PolarHBondContact O-OG1 3.44Å; T234-R237 WeakPolarHBondContact O-CB 3.5Å; T234-R237 PolarHBondContact O-N 2.91Å; T234-L238 WeakPolarHBondContact O-CG 3.48Å; T234-L238 PolarHBondContact O-N 3.13Å |
| 235 | L | 98.1 | Very high | 97.7 | Very high | 96 Ų | 96 | 101.6 Ų | 101.6 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.2 | -48 | 173.3 | -71.6 | 175.7 | 0 | 0 | 0 | 111 | D231 D232 R237 L238 E239 | D231-L235 WeakPolarHBondContact O-CG 3.38Å; D231-L235 PolarHBondContact O-N 3.27Å; D232-L235 PolarHBondContact O-N 2.98Å; L235-R237 VanDerWaalsContact C-N 3.29Å; L235-R237 PolarHBondContact O-N 3.26Å; L235-L238 PolarHBondContact O-N 2.98Å; L235-E239 WeakPolarHBondContact O-CG 3.39Å; L235-E239 PolarHBondContact O-N 3.27Å |
| 236 | S | 98.2 | Very high | 98 | Very high | 63 Ų | 63 | 102.7 Ų | 102.7 | 44% | 0.441 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.8 | -40.4 | 176.6 | -57.5 | 0 | 0 | 0 | 0 | 112 | D232 A233 E239 L240 | D232-S236 WeakPolarHBondContact O-CB 3.45Å; D232-S236 PolarHBondContact O-N 3.49Å; D232-S236 PolarHBondContact O-OG 2.92Å; A233-S236 PolarHBondContact O-N 2.93Å; S236-E239 PolarHBondContact O-N 3.35Å; S236-L240 WeakPolarHBondContact O-CG 3.3Å; S236-L240 PolarHBondContact O-N 3.38Å; S236-L240 VanDerWaalsContact O-N 3.09Å |
| 237 | R | 98.4 | Very high | 98 | Very high | 129 Ų | 129 | 100.8 Ų | 100.8 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.3 | -48.2 | 175.3 | -164.1 | -159.5 | 86.3 | -145.1 | -3 | 111.5 | A233 T234 L235 E239 L240 E241 | A233-R237 WeakPolarHBondContact O-CB 3.39Å; A233-R237 PolarHBondContact O-N 2.86Å; T234-R237 WeakPolarHBondContact O-CB 3.5Å; T234-R237 PolarHBondContact O-N 2.91Å; L235-R237 VanDerWaalsContact C-N 3.29Å; L235-R237 PolarHBondContact O-N 3.26Å; R237-E239 VanDerWaalsContact C-N 3.32Å; R237-E239 PolarHBondContact O-N 3.3Å; R237-L240 PolarHBondContact O-N 2.97Å; R237-E241 IonicContact CZ-OE1 3.47Å; R237-E241 IonicContact CZ-OE2 3.69Å; R237-E241 IonicContact NE-OE1 2.75Å; R237-E241 PolarHBondContact NE-OE1 2.96Å; R237-E241 IonicContact NE-OE2 3.38Å; R237-E241 PolarHBondContact NE-OE2 3.42Å; R237-E241 IonicContact NH2-OE1 2.66Å; R237-E241 PolarHBondContact NH2-OE1 3.48Å; R237-E241 IonicContact NH2-OE2 3.41Å; R237-E241 PolarHBondContact NH2-OE2 2.91Å; R237-E241 WeakPolarHBondContact O-CG 3.41Å; R237-E241 PolarHBondContact O-N 3.39Å |
| 238 | L | 98.4 | Very high | 98.1 | Very high | 75 Ų | 75 | 98.5 Ų | 98.5 | 39% | 0.393 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -38.1 | 179.2 | -71.9 | 170.1 | 0 | 0 | 0 | 112.1 | T234 L235 E241 R242 | T234-L238 WeakPolarHBondContact O-CG 3.48Å; T234-L238 PolarHBondContact O-N 3.13Å; L235-L238 PolarHBondContact O-N 2.98Å; L238-E241 PolarHBondContact O-N 3.31Å; L238-R242 WeakPolarHBondContact O-CG 3.38Å; L238-R242 PolarHBondContact O-N 2.94Å |
| 239 | E | 98.3 | Very high | 98.1 | Very high | 133 Ų | 133 | 97.5 Ų | 97.5 | 62% | 0.621 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63 | -43.4 | 174.6 | -73.9 | 177.8 | -178.6 | 0 | 0 | 111.9 | L235 S236 R237 R242 K243 | L235-E239 WeakPolarHBondContact O-CG 3.39Å; L235-E239 PolarHBondContact O-N 3.27Å; S236-E239 PolarHBondContact O-N 3.35Å; R237-E239 VanDerWaalsContact C-N 3.32Å; R237-E239 PolarHBondContact O-N 3.3Å; E239-R242 PolarHBondContact O-N 2.98Å; E239-K243 WeakPolarHBondContact O-CB 3.38Å; E239-K243 PolarHBondContact O-N 3.36Å |
| 240 | L | 98.1 | Very high | 98.1 | Very high | 116 Ų | 116 | 97.8 Ų | 97.8 | 61% | 0.607 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.8 | -40.5 | 175.2 | -69.7 | 173.3 | 0 | 0 | 0 | 112.1 | S236 R237 K243 I244 | S236-L240 WeakPolarHBondContact O-CG 3.3Å; S236-L240 PolarHBondContact O-N 3.38Å; S236-L240 VanDerWaalsContact O-N 3.09Å; R237-L240 PolarHBondContact O-N 2.97Å; L240-K243 WeakPolarHBondContact O-CB 3.47Å; L240-K243 PolarHBondContact O-N 3.28Å; L240-K243 VanDerWaalsContact O-N 3.17Å; L240-I244 WeakPolarHBondContact O-CG1 3.37Å; L240-I244 PolarHBondContact O-N 3.36Å |
| 241 | E | 98.1 | Very high | 98.1 | Very high | 71 Ų | 71 | 98 Ų | 98 | 33% | 0.332 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.3 | -48.7 | 174.6 | -76.5 | 170.7 | 175 | 0 | 0 | 111 | R237 L238 K243 I244 E245 | R237-E241 IonicContact CZ-OE1 3.47Å; R237-E241 IonicContact CZ-OE2 3.69Å; R237-E241 IonicContact NE-OE1 2.75Å; R237-E241 PolarHBondContact NE-OE1 2.96Å; R237-E241 IonicContact NE-OE2 3.38Å; R237-E241 PolarHBondContact NE-OE2 3.42Å; R237-E241 IonicContact NH2-OE1 2.66Å; R237-E241 PolarHBondContact NH2-OE1 3.48Å; R237-E241 IonicContact NH2-OE2 3.41Å; R237-E241 PolarHBondContact NH2-OE2 2.91Å; R237-E241 WeakPolarHBondContact O-CG 3.41Å; R237-E241 PolarHBondContact O-N 3.39Å; L238-E241 PolarHBondContact O-N 3.31Å; E241-K243 VanDerWaalsContact C-N 3.29Å; E241-K243 PolarHBondContact O-N 2.8Å; E241-I244 WeakPolarHBondContact O-CB 3.39Å; E241-I244 PolarHBondContact O-N 3.3Å; E241-I244 VanDerWaalsContact O-N 3.14Å; E241-E245 WeakPolarHBondContact O-CG 3.4Å; E241-E245 PolarHBondContact O-N 3.03Å |
| 242 | R | 98.2 | Very high | 98.1 | Very high | 177 Ų | 177 | 98.3 Ų | 98.3 | 67% | 0.668 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.8 | -36.6 | 174.3 | -74.5 | 178.7 | 178.4 | 169.4 | 1.8 | 113 | L238 E239 I244 E245 S246 | L238-R242 WeakPolarHBondContact O-CG 3.38Å; L238-R242 PolarHBondContact O-N 2.94Å; E239-R242 PolarHBondContact O-N 2.98Å; R242-I244 VanDerWaalsContact C-N 3.34Å; R242-E245 PolarHBondContact O-N 3.1Å; R242-S246 WeakPolarHBondContact O-CB 3.36Å; R242-S246 PolarHBondContact O-N 2.85Å |
| 243 | K | 98.3 | Very high | 98.1 | Very high | 127 Ų | 127 | 100.5 Ų | 100.5 | 55% | 0.552 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.4 | -39.8 | 176.8 | -169.7 | 69.7 | -179.1 | 178.3 | 0 | 111 | E239 L240 E241 L247 | E239-K243 WeakPolarHBondContact O-CB 3.38Å; E239-K243 PolarHBondContact O-N 3.36Å; L240-K243 WeakPolarHBondContact O-CB 3.47Å; L240-K243 PolarHBondContact O-N 3.28Å; L240-K243 VanDerWaalsContact O-N 3.17Å; E241-K243 VanDerWaalsContact C-N 3.29Å; E241-K243 PolarHBondContact O-N 2.8Å; K243-L247 HydrophobicContact CG-CD1 4.34Å; K243-L247 WeakPolarHBondContact O-CB 3.41Å; K243-L247 VanDerWaalsContact O-CG 3.25Å; K243-L247 WeakPolarHBondContact O-CG 3.37Å; K243-L247 PolarHBondContact O-N 3.1Å |
| 244 | I | 98.3 | Very high | 98.1 | Very high | 100 Ų | 100 | 101.8 Ų | 101.8 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63 | -50 | 174.6 | -69.5 | 166 | 0 | 0 | 0 | 109.9 | L240 E241 R242 S246 L247 M248 | L240-I244 WeakPolarHBondContact O-CG1 3.37Å; L240-I244 PolarHBondContact O-N 3.36Å; E241-I244 WeakPolarHBondContact O-CB 3.39Å; E241-I244 PolarHBondContact O-N 3.3Å; E241-I244 VanDerWaalsContact O-N 3.14Å; R242-I244 VanDerWaalsContact C-N 3.34Å; I244-S246 PolarHBondContact O-N 2.98Å; I244-L247 PolarHBondContact O-N 3.2Å; I244-L247 VanDerWaalsContact O-N 3.15Å; I244-M248 HydrophobicContact CG2-CG 4.32Å; I244-M248 HydrophobicContact CG2-SD 3.93Å; I244-M248 WeakPolarHBondContact O-CG 3.34Å; I244-M248 PolarHBondContact O-N 2.94Å |
| 245 | E | 98 | Very high | 98 | Very high | 117 Ų | 117 | 105.5 Ų | 105.5 | 55% | 0.547 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -55.5 | -49.8 | 177.1 | -71.3 | 171.5 | 177.3 | 0 | 0 | 111.3 | E241 R242 L247 M248 D249 | E241-E245 WeakPolarHBondContact O-CG 3.4Å; E241-E245 PolarHBondContact O-N 3.03Å; R242-E245 PolarHBondContact O-N 3.1Å; E245-L247 VanDerWaalsContact C-N 3.32Å; E245-L247 PolarHBondContact O-N 2.87Å; E245-M248 WeakPolarHBondContact O-CB 3.35Å; E245-M248 PolarHBondContact O-N 3.43Å; E245-M248 VanDerWaalsContact O-N 3.08Å; E245-D249 PolarHBondContact O-N 2.96Å |
| 246 | S | 98.1 | Very high | 98 | Very high | 67 Ų | 67 | 106.2 Ų | 106.2 | 47% | 0.469 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60 | -38 | 177.2 | 170.9 | 0 | 0 | 0 | 0 | 113.4 | R242 I244 E250 | R242-S246 WeakPolarHBondContact O-CB 3.36Å; R242-S246 PolarHBondContact O-N 2.85Å; I244-S246 PolarHBondContact O-N 2.98Å; S246-E250 PolarHBondContact O-N 2.88Å; S246-E250 VanDerWaalsContact O-N 3.1Å |
| 247 | L | 98.1 | Very high | 98 | Very high | 92 Ų | 92 | 106.4 Ų | 106.4 | 48% | 0.482 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -72.7 | -32.8 | 176.1 | -72.3 | 172.2 | 0 | 0 | 0 | 111.9 | K243 I244 E245 I251 | K243-L247 HydrophobicContact CG-CD1 4.34Å; K243-L247 WeakPolarHBondContact O-CB 3.41Å; K243-L247 VanDerWaalsContact O-CG 3.25Å; K243-L247 WeakPolarHBondContact O-CG 3.37Å; K243-L247 PolarHBondContact O-N 3.1Å; I244-L247 PolarHBondContact O-N 3.2Å; I244-L247 VanDerWaalsContact O-N 3.15Å; E245-L247 VanDerWaalsContact C-N 3.32Å; E245-L247 PolarHBondContact O-N 2.87Å; L247-I251 WeakPolarHBondContact O-CD1 3.38Å; L247-I251 VanDerWaalsContact O-CG1 3.24Å; L247-I251 WeakPolarHBondContact O-CG1 3.35Å; L247-I251 PolarHBondContact O-N 3.22Å |
| 248 | M | 98.1 | Very high | 97.9 | Very high | 116 Ų | 116 | 105 Ų | 105 | 57% | 0.571 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.6 | -44.3 | 173.8 | -73.7 | -179.6 | 60 | 0 | 0 | 111.2 | I244 E245 E250 I251 E252 | I244-M248 HydrophobicContact CG2-CG 4.32Å; I244-M248 HydrophobicContact CG2-SD 3.93Å; I244-M248 WeakPolarHBondContact O-CG 3.34Å; I244-M248 PolarHBondContact O-N 2.94Å; E245-M248 WeakPolarHBondContact O-CB 3.35Å; E245-M248 PolarHBondContact O-N 3.43Å; E245-M248 VanDerWaalsContact O-N 3.08Å; M248-E250 VanDerWaalsContact C-N 3.31Å; M248-E250 PolarHBondContact O-N 3.48Å; M248-I251 PolarHBondContact O-N 3.38Å; M248-E252 PolarHBondContact O-N 3.09Å |
| 249 | D | 97.9 | Very high | 97.7 | Very high | 110 Ų | 110 | 106.4 Ų | 106.4 | 59% | 0.588 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.6 | -42.9 | 175 | -70.3 | -16.9 | 0 | 0 | 0 | 111.1 | E245 E252 F253 | E245-D249 PolarHBondContact O-N 2.96Å; D249-E252 PolarHBondContact O-N 2.94Å; D249-F253 WeakPolarHBondContact O-CB 3.41Å; D249-F253 PolarHBondContact O-N 3.27Å |
| 250 | E | 97.9 | Very high | 97.6 | Very high | 98 Ų | 98 | 105.7 Ų | 105.7 | 46% | 0.458 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 175.6 | -176 | 63.4 | -159.5 | 0 | 0 | 111.9 | S246 M248 E252 F253 L254 | S246-E250 PolarHBondContact O-N 2.88Å; S246-E250 VanDerWaalsContact O-N 3.1Å; M248-E250 VanDerWaalsContact C-N 3.31Å; M248-E250 PolarHBondContact O-N 3.48Å; E250-E252 VanDerWaalsContact C-N 3.33Å; E250-E252 PolarHBondContact O-N 2.95Å; E250-F253 PolarHBondContact O-N 2.88Å; E250-L254 HydrophobicContact CG-CD1 4.25Å; E250-L254 WeakPolarHBondContact O-CB 3.44Å; E250-L254 VanDerWaalsContact O-CG 3.31Å; E250-L254 WeakPolarHBondContact O-CG 3.31Å; E250-L254 PolarHBondContact O-N 2.64Å |
| 251 | I | 97.6 | Very high | 97.4 | Very high | 91 Ų | 91 | 105.4 Ų | 105.4 | 47% | 0.467 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 175.8 | -71.8 | 165.2 | 0 | 0 | 0 | 110.8 | L247 M248 L254 K255 | L247-I251 WeakPolarHBondContact O-CD1 3.38Å; L247-I251 VanDerWaalsContact O-CG1 3.24Å; L247-I251 WeakPolarHBondContact O-CG1 3.35Å; L247-I251 PolarHBondContact O-N 3.22Å; M248-I251 PolarHBondContact O-N 3.38Å; I251-L254 PolarHBondContact O-N 3.44Å; I251-K255 HydrophobicContact CG2-CD 4.2Å; I251-K255 WeakPolarHBondContact O-CB 3.45Å; I251-K255 VanDerWaalsContact O-CG 3.32Å; I251-K255 WeakPolarHBondContact O-CG 3.49Å; I251-K255 PolarHBondContact O-N 3.27Å |
| 252 | E | 98 | Very high | 97.2 | Very high | 101 Ų | 101 | 105.9 Ų | 105.9 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.2 | -39.9 | 179 | -168.3 | 175.7 | 157.8 | 0 | 0 | 111.6 | M248 D249 E250 K255 K256 | M248-E252 PolarHBondContact O-N 3.09Å; D249-E252 PolarHBondContact O-N 2.94Å; E250-E252 VanDerWaalsContact C-N 3.33Å; E250-E252 PolarHBondContact O-N 2.95Å; E252-K255 PolarHBondContact O-N 3.36Å; E252-K256 HydrophobicContact CG-CD 4.5Å; E252-K256 WeakPolarHBondContact O-CG 3.26Å; E252-K256 PolarHBondContact O-N 2.89Å; E252-K256 VanDerWaalsContact OE1-CE 3.24Å; E252-K256 WeakPolarHBondContact OE1-CE 3.35Å; E252-K256 IonicContact OE1-NZ 2.71Å; E252-K256 PolarHBondContact OE1-NZ 2.86Å |
| 253 | F | 98 | Very high | 97 | Very high | 119 Ų | 119 | 103.1 Ų | 103.1 | 52% | 0.522 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59 | -50.4 | 172.6 | 174.6 | -104.3 | 0 | 0 | 0 | 111.5 | D249 E250 K255 K256 L257 | D249-F253 WeakPolarHBondContact O-CB 3.41Å; D249-F253 PolarHBondContact O-N 3.27Å; E250-F253 PolarHBondContact O-N 2.88Å; F253-K255 VanDerWaalsContact C-N 3.3Å; F253-K255 PolarHBondContact O-N 2.95Å; F253-K256 PolarHBondContact O-N 3.24Å; F253-L257 HydrophobicContact CZ-CD1 4.47Å; F253-L257 WeakPolarHBondContact O-CB 3.4Å; F253-L257 PolarHBondContact O-N 2.91Å |
| 254 | L | 97.8 | Very high | 96.6 | Very high | 87 Ų | 87 | 102.8 Ų | 102.8 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.1 | -36.1 | 178.1 | -71.6 | 171.6 | 0 | 0 | 0 | 112.7 | E250 I251 H258 | E250-L254 HydrophobicContact CG-CD1 4.25Å; E250-L254 WeakPolarHBondContact O-CB 3.44Å; E250-L254 VanDerWaalsContact O-CG 3.31Å; E250-L254 WeakPolarHBondContact O-CG 3.31Å; E250-L254 PolarHBondContact O-N 2.64Å; I251-L254 PolarHBondContact O-N 3.44Å; L254-H258 WeakPolarHBondContact O-CB 3.42Å; L254-H258 PolarHBondContact O-N 2.89Å |
| 255 | K | 97.3 | Very high | 96.2 | Very high | 131 Ų | 131 | 102.5 Ų | 102.5 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.2 | -48.3 | 174.2 | -77.9 | 175.7 | 178.5 | 179.1 | 0 | 112 | I251 E252 F253 L257 H258 D259 | I251-K255 HydrophobicContact CG2-CD 4.2Å; I251-K255 WeakPolarHBondContact O-CB 3.45Å; I251-K255 VanDerWaalsContact O-CG 3.32Å; I251-K255 WeakPolarHBondContact O-CG 3.49Å; I251-K255 PolarHBondContact O-N 3.27Å; E252-K255 PolarHBondContact O-N 3.36Å; F253-K255 VanDerWaalsContact C-N 3.3Å; F253-K255 PolarHBondContact O-N 2.95Å; K255-L257 VanDerWaalsContact C-N 3.33Å; K255-L257 PolarHBondContact O-N 2.96Å; K255-H258 PolarHBondContact O-N 3.38Å; K255-D259 PolarHBondContact O-N 3.38Å |
| 256 | K | 97.4 | Very high | 95.6 | Very high | 110 Ų | 110 | 102.3 Ų | 102.3 | 48% | 0.478 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60 | -44.4 | 177.3 | -74 | 174.3 | -175.6 | 161.1 | 0 | 111.2 | E252 F253 H258 D259 E260 | E252-K256 HydrophobicContact CG-CD 4.5Å; E252-K256 WeakPolarHBondContact O-CG 3.26Å; E252-K256 PolarHBondContact O-N 2.89Å; E252-K256 VanDerWaalsContact OE1-CE 3.24Å; E252-K256 WeakPolarHBondContact OE1-CE 3.35Å; E252-K256 IonicContact OE1-NZ 2.71Å; E252-K256 PolarHBondContact OE1-NZ 2.86Å; F253-K256 PolarHBondContact O-N 3.24Å; K256-H258 VanDerWaalsContact C-N 3.32Å; K256-H258 PolarHBondContact O-N 3.2Å; K256-D259 PolarHBondContact O-N 2.89Å; K256-E260 WeakPolarHBondContact O-CB 3.5Å; K256-E260 WeakPolarHBondContact O-CG 3.5Å; K256-E260 PolarHBondContact O-N 3.27Å |
| 257 | L | 97.3 | Very high | 95 | Very high | 67 Ų | 67 | 102.3 Ų | 102.3 | 35% | 0.351 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.4 | -46.5 | 174.9 | -170.3 | 89.3 | 0 | 0 | 0 | 111.2 | F253 K255 E260 E261 | F253-L257 HydrophobicContact CZ-CD1 4.47Å; F253-L257 WeakPolarHBondContact O-CB 3.4Å; F253-L257 PolarHBondContact O-N 2.91Å; K255-L257 VanDerWaalsContact C-N 3.33Å; K255-L257 PolarHBondContact O-N 2.96Å; L257-E260 PolarHBondContact O-N 3.39Å; L257-E261 WeakPolarHBondContact O-CG 3.41Å; L257-E261 PolarHBondContact O-N 2.94Å |
| 258 | H | 96 | Very high | 94.2 | Very high | 100 Ų | 100 | 100.6 Ų | 100.6 | 46% | 0.463 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 179.4 | -171.9 | 58.8 | 0 | 0 | 0 | 112.9 | L254 K255 K256 E260 E261 I262 | L254-H258 WeakPolarHBondContact O-CB 3.42Å; L254-H258 PolarHBondContact O-N 2.89Å; K255-H258 PolarHBondContact O-N 3.38Å; K256-H258 VanDerWaalsContact C-N 3.32Å; K256-H258 PolarHBondContact O-N 3.2Å; H258-E260 VanDerWaalsContact C-N 3.34Å; H258-E261 PolarHBondContact O-N 3.36Å; H258-I262 WeakPolarHBondContact NE2-CD1 3.37Å; H258-I262 WeakPolarHBondContact O-CG1 3.32Å; H258-I262 PolarHBondContact O-N 3.28Å |
| 259 | D | 96.1 | Very high | 93.2 | Very high | 104 Ų | 104 | 98.3 Ų | 98.3 | 56% | 0.556 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.7 | -41.2 | 176.2 | -71.7 | -23.6 | 0 | 0 | 0 | 111 | K255 K256 I262 Q263 | K255-D259 PolarHBondContact O-N 3.38Å; K256-D259 PolarHBondContact O-N 2.89Å; D259-I262 PolarHBondContact O-N 3.26Å; D259-Q263 WeakPolarHBondContact O-CB 3.39Å; D259-Q263 PolarHBondContact O-N 3.31Å |
| 260 | E | 95.1 | Very high | 92.2 | Very high | 119 Ų | 119 | 97.8 Ų | 97.8 | 56% | 0.556 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.6 | -46.3 | 172.9 | -75 | 177.2 | -176 | 0 | 0 | 111.6 | K256 L257 H258 I262 Q263 D264 | K256-E260 WeakPolarHBondContact O-CB 3.5Å; K256-E260 WeakPolarHBondContact O-CG 3.5Å; K256-E260 PolarHBondContact O-N 3.27Å; L257-E260 PolarHBondContact O-N 3.39Å; H258-E260 VanDerWaalsContact C-N 3.34Å; E260-I262 PolarHBondContact O-N 2.96Å; E260-Q263 PolarHBondContact O-N 3.16Å; E260-D264 WeakPolarHBondContact O-CB 3.25Å; E260-D264 PolarHBondContact O-N 3.26Å |
| 261 | E | 93.6 | Very high | 90.9 | Very high | 109 Ų | 109 | 96 Ų | 96 | 51% | 0.509 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 176.1 | -76 | 179.1 | 165.5 | 0 | 0 | 112.2 | L257 H258 D264 V265 | L257-E261 WeakPolarHBondContact O-CG 3.41Å; L257-E261 PolarHBondContact O-N 2.94Å; H258-E261 PolarHBondContact O-N 3.36Å; E261-D264 PolarHBondContact O-N 3.48Å; E261-V265 VanDerWaalsContact O-CG2 3.28Å; E261-V265 WeakPolarHBondContact O-CG2 3.46Å; E261-V265 PolarHBondContact O-N 3.21Å |
| 262 | I | 94.3 | Very high | 89 | Confident | 81 Ų | 81 | 98.3 Ų | 98.3 | 42% | 0.415 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63 | -45 | 174.8 | -72.9 | 176.3 | 0 | 0 | 0 | 110.2 | H258 D259 E260 D264 V265 Q266 | H258-I262 WeakPolarHBondContact NE2-CD1 3.37Å; H258-I262 WeakPolarHBondContact O-CG1 3.32Å; H258-I262 PolarHBondContact O-N 3.28Å; D259-I262 PolarHBondContact O-N 3.26Å; E260-I262 PolarHBondContact O-N 2.96Å; I262-D264 VanDerWaalsContact C-N 3.33Å; I262-D264 PolarHBondContact O-N 3.39Å; I262-V265 PolarHBondContact O-N 3.48Å; I262-Q266 VanDerWaalsContact O-CB 3.31Å; I262-Q266 WeakPolarHBondContact O-CB 3.48Å; I262-Q266 PolarHBondContact O-N 2.99Å |
| 263 | Q | 93.6 | Very high | 86.7 | Confident | 120 Ų | 120 | 100 Ų | 100 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.6 | -43.5 | 179.1 | -173.1 | 174.4 | -3.5 | 0 | 0 | 110.8 | D259 E260 V265 Q266 V267 | D259-Q263 WeakPolarHBondContact O-CB 3.39Å; D259-Q263 PolarHBondContact O-N 3.31Å; E260-Q263 PolarHBondContact O-N 3.16Å; Q263-V265 PolarHBondContact O-N 3.2Å; Q263-Q266 PolarHBondContact O-N 2.92Å; Q263-V267 HydrophobicContact CG-CG2 4.45Å; Q263-V267 WeakPolarHBondContact O-CB 3.34Å; Q263-V267 VanDerWaalsContact O-CG2 3.27Å; Q263-V267 WeakPolarHBondContact O-CG2 3.47Å; Q263-V267 PolarHBondContact O-N 3.39Å |
| 264 | D | 90.9 | Very high | 84.3 | Confident | 120 Ų | 120 | 99.7 Ų | 99.7 | 64% | 0.642 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.1 | -41.3 | 175.4 | -85.9 | -5.8 | 0 | 0 | 0 | 112.1 | E260 E261 I262 S268 | E260-D264 WeakPolarHBondContact O-CB 3.25Å; E260-D264 PolarHBondContact O-N 3.26Å; E261-D264 PolarHBondContact O-N 3.48Å; I262-D264 VanDerWaalsContact C-N 3.33Å; I262-D264 PolarHBondContact O-N 3.39Å; D264-S268 WeakPolarHBondContact O-CB 3.44Å; D264-S268 PolarHBondContact O-N 2.94Å |
| 265 | V | 88.6 | Confident | 81.8 | Confident | 94 Ų | 94 | 103.8 Ų | 103.8 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.5 | -42.2 | 173.7 | 171.8 | 0 | 0 | 0 | 0 | 111 | E261 I262 Q263 S268 V269 | E261-V265 VanDerWaalsContact O-CG2 3.28Å; E261-V265 WeakPolarHBondContact O-CG2 3.46Å; E261-V265 PolarHBondContact O-N 3.21Å; I262-V265 PolarHBondContact O-N 3.48Å; Q263-V265 PolarHBondContact O-N 3.2Å; V265-S268 WeakPolarHBondContact O-CB 3.48Å; V265-S268 PolarHBondContact O-N 3.46Å; V265-V269 HydrophobicContact CG1-CG2 4.4Å; V265-V269 WeakPolarHBondContact O-CB 3.41Å; V265-V269 VanDerWaalsContact O-CG2 3.28Å; V265-V269 WeakPolarHBondContact O-CG2 3.39Å; V265-V269 PolarHBondContact O-N 2.91Å |
| 266 | Q | 85.6 | Confident | 79.2 | Confident | 112 Ų | 112 | 105.2 Ų | 105.2 | 52% | 0.523 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.5 | -39.9 | -179.9 | -166.1 | 169.3 | 17.4 | 0 | 0 | 111.6 | I262 Q263 V269 Q270 | I262-Q266 VanDerWaalsContact O-CB 3.31Å; I262-Q266 WeakPolarHBondContact O-CB 3.48Å; I262-Q266 PolarHBondContact O-N 2.99Å; Q263-Q266 PolarHBondContact O-N 2.92Å; Q266-V269 PolarHBondContact O-N 3Å; Q266-Q270 WeakPolarHBondContact O-CB 3.37Å; Q266-Q270 PolarHBondContact O-N 3.23Å |
| 267 | V | 86.6 | Confident | 76.5 | Confident | 68 Ų | 68 | 107.5 Ų | 107.5 | 41% | 0.412 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 170.8 | 170.6 | 0 | 0 | 0 | 0 | 110.1 | Q263 V269 Q270 T271 | Q263-V267 HydrophobicContact CG-CG2 4.45Å; Q263-V267 WeakPolarHBondContact O-CB 3.34Å; Q263-V267 VanDerWaalsContact O-CG2 3.27Å; Q263-V267 WeakPolarHBondContact O-CG2 3.47Å; Q263-V267 PolarHBondContact O-N 3.39Å; V267-V269 PolarHBondContact O-N 3.46Å; V267-Q270 PolarHBondContact O-N 2.84Å; V267-T271 WeakPolarHBondContact O-CA 3.47Å; V267-T271 WeakPolarHBondContact O-CB 3.34Å; V267-T271 PolarHBondContact O-N 3.24Å; V267-T271 PolarHBondContact O-OG1 3.5Å |
| 268 | S | 80.3 | Confident | 74 | Confident | 56 Ų | 56 | 110.8 Ų | 110.8 | 39% | 0.392 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.1 | -45.2 | 175.8 | -174.2 | 0 | 0 | 0 | 0 | 111.4 | D264 V265 T271 H272 | D264-S268 WeakPolarHBondContact O-CB 3.44Å; D264-S268 PolarHBondContact O-N 2.94Å; V265-S268 WeakPolarHBondContact O-CB 3.48Å; V265-S268 PolarHBondContact O-N 3.46Å; S268-T271 PolarHBondContact O-N 3.45Å; S268-H272 VanDerWaalsContact O-CB 3.28Å; S268-H272 WeakPolarHBondContact O-CB 3.38Å; S268-H272 PolarHBondContact O-CD2 3.23Å; S268-H272 PolarHBondContact O-N 3.33Å |
| 269 | V | 78.3 | Confident | 70.9 | Confident | 68 Ų | 68 | 112.9 Ų | 112.9 | 41% | 0.412 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.8 | -45.6 | 176.4 | 171.7 | 0 | 0 | 0 | 0 | 111.9 | V265 Q266 V267 H272 Q273 | V265-V269 HydrophobicContact CG1-CG2 4.4Å; V265-V269 WeakPolarHBondContact O-CB 3.41Å; V265-V269 VanDerWaalsContact O-CG2 3.28Å; V265-V269 WeakPolarHBondContact O-CG2 3.39Å; V265-V269 PolarHBondContact O-N 2.91Å; Q266-V269 PolarHBondContact O-N 3Å; V267-V269 PolarHBondContact O-N 3.46Å; V269-H272 CarbonylContact O-C 3.56Å; V269-H272 PolarHBondContact O-N 3.22Å; V269-Q273 WeakPolarHBondContact O-CB 3.42Å; V269-Q273 WeakPolarHBondContact O-CG 3.36Å; V269-Q273 PolarHBondContact O-N 2.93Å |
| 270 | Q | 75.4 | Confident | 68.5 | Low | 99 Ų | 99 | 112.2 Ų | 112.2 | 46% | 0.463 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.8 | -38.3 | 175.7 | -84.1 | -176.2 | 7.6 | 0 | 0 | 112 | Q266 V267 H272 Q273 L274 | Q266-Q270 WeakPolarHBondContact O-CB 3.37Å; Q266-Q270 PolarHBondContact O-N 3.23Å; V267-Q270 PolarHBondContact O-N 2.84Å; Q270-H272 VanDerWaalsContact C-N 3.32Å; Q270-Q273 CarbonylContact O-C 3.6Å; Q270-Q273 PolarHBondContact O-N 2.92Å; Q270-Q273 VanDerWaalsContact O-N 3.15Å; Q270-L274 HydrophobicContact CB-CD1 4.45Å; Q270-L274 WeakPolarHBondContact O-CB 3.48Å; Q270-L274 WeakPolarHBondContact O-CG 3.47Å; Q270-L274 PolarHBondContact O-N 3.4Å |
| 271 | T | 70.4 | Confident | 65.9 | Low | 60 Ų | 60 | 112.4 Ų | 112.4 | 37% | 0.368 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -69.5 | -33.7 | 176.3 | -51.7 | 0 | 0 | 0 | 0 | 110.4 | V267 S268 K275 | V267-T271 WeakPolarHBondContact O-CA 3.47Å; V267-T271 WeakPolarHBondContact O-CB 3.34Å; V267-T271 PolarHBondContact O-N 3.24Å; V267-T271 PolarHBondContact O-OG1 3.5Å; S268-T271 PolarHBondContact O-N 3.45Å; T271-K275 HydrophobicContact CG2-CD 4.18Å; T271-K275 HydrophobicContact CG2-CG 4.23Å; T271-K275 WeakPolarHBondContact O-CB 3.46Å; T271-K275 WeakPolarHBondContact O-CG 3.45Å; T271-K275 PolarHBondContact O-N 2.89Å |
| 272 | H | 58.3 | Low | 63.5 | Low | 140 Ų | 140 | 112.2 Ų | 112.2 | 65% | 0.648 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -71 | -27.9 | 169.8 | -78.7 | -55.9 | 0 | 0 | 0 | 113 | S268 V269 Q270 | S268-H272 VanDerWaalsContact O-CB 3.28Å; S268-H272 WeakPolarHBondContact O-CB 3.38Å; S268-H272 PolarHBondContact O-CD2 3.23Å; S268-H272 PolarHBondContact O-N 3.33Å; V269-H272 CarbonylContact O-C 3.56Å; V269-H272 PolarHBondContact O-N 3.22Å; Q270-H272 VanDerWaalsContact C-N 3.32Å |
| 273 | Q | 50.5 | Low | 61.7 | Low | 135 Ų | 135 | 120.1 Ų | 120.1 | 63% | 0.631 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -83.3 | -30.1 | 172.8 | -75 | 174.5 | 13 | 0 | 0 | 113.6 | V269 Q270 | V269-Q273 WeakPolarHBondContact O-CB 3.42Å; V269-Q273 WeakPolarHBondContact O-CG 3.36Å; V269-Q273 PolarHBondContact O-N 2.93Å; Q270-Q273 CarbonylContact O-C 3.6Å; Q270-Q273 PolarHBondContact O-N 2.92Å; Q270-Q273 VanDerWaalsContact O-N 3.15Å |
| 274 | L | 47.6 | Very low | 60.2 | Low | 113 Ų | 113 | 118.5 Ų | 118.5 | 59% | 0.592 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -98.4 | -18.6 | -176.7 | -71.7 | 168 | 0 | 0 | 0 | 113.5 | Q270 M276 E277 | Q270-L274 HydrophobicContact CB-CD1 4.45Å; Q270-L274 WeakPolarHBondContact O-CB 3.48Å; Q270-L274 WeakPolarHBondContact O-CG 3.47Å; Q270-L274 PolarHBondContact O-N 3.4Å; L274-M276 PolarHBondContact O-N 2.91Å; L274-E277 PolarHBondContact O-N 3.35Å |
| 275 | K | 45.7 | Very low | 58.7 | Low | 173 Ų | 173 | 118.1 Ų | 118.1 | 75% | 0.752 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -4.1 | 164.4 | -89.5 | 178.9 | 171.8 | 173 | 0 | 113.2 | T271 | T271-K275 HydrophobicContact CG2-CD 4.18Å; T271-K275 HydrophobicContact CG2-CG 4.23Å; T271-K275 WeakPolarHBondContact O-CB 3.46Å; T271-K275 WeakPolarHBondContact O-CG 3.45Å; T271-K275 PolarHBondContact O-N 2.89Å |
| 276 | M | 42 | Very low | 57.7 | Low | 162 Ų | 162 | 119 Ų | 119 | 80% | 0.798 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -15.7 | 168.4 | -94.1 | -179.7 | 57.3 | 0 | 0 | 114.5 | L274 | L274-M276 PolarHBondContact O-N 2.91Š|
| 277 | E | 40.8 | Very low | 57.2 | Low | 157 Ų | 157 | 117.9 Ų | 117.9 | 73% | 0.734 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -144.4 | 131.6 | 178.2 | -71.5 | -164.5 | 164.7 | 0 | 0 | 113.6 | L274 | L274-E277 PolarHBondContact O-N 3.35Š|
| 278 | V | 43.9 | Very low | 56.8 | Low | 137 Ų | 137 | 115.2 Ų | 115.2 | 83% | 0.83 | 62% | 0.617 | S | S | * | * | trans | 90 | 86.1 | 166.4 | -165.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 279 | D | 32.2 | Very low | 56.8 | Low | 144 Ų | 144 | 114.8 Ų | 114.8 | 77% | 0.77 | 62% | 0.617 | S | S | * | * | trans | -66.6 | 138.9 | 150.6 | -164.8 | 12 | 0 | 0 | 0 | 111.3 | ||||
| 280 | S | 44.2 | Very low | 57 | Low | 89 Ų | 89 | 116.7 Ų | 116.7 | 62% | 0.622 | 62% | 0.624 | S | S | * | * | trans | 50 | 123.7 | 152.8 | 73.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 281 | S | 40.8 | Very low | 57.6 | Low | 123 Ų | 123 | 119.5 Ų | 119.5 | 86% | 0.86 | 63% | 0.63 | S | S | * | * | 164.9 | 108.6 | 109.7 | 64.6 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 282 | S | 44.6 | Very low | 58.4 | Low | 105 Ų | 105 | 121.3 Ų | 121.3 | 73% | 0.734 | 64% | 0.638 | S | S | * | * | trans | -175 | 110.8 | 142.5 | 168.5 | 0 | 0 | 0 | 0 | 104.2 | P284 | S282-P284 WeakPolarHBondContact O-CD 3.49Š| ||
| 283 | R | 55 | Low | 59.9 | Low | 248 Ų | 248 | 118.6 Ų | 118.6 | 94% | 0.936 | 63% | 0.627 | S | S | * | * | trans | -63.9 | 104.4 | 176.7 | -115.6 | 178.8 | 165.4 | 172.5 | -4.5 | 106.7 | ||||
| 284 | P | 62 | Low | 61.8 | Low | 85 Ų | 85 | 120.4 Ų | 120.4 | 55% | 0.552 | 63% | 0.628 | S | S | * | * | trans | -69.4 | 145.8 | 172.9 | -2.5 | 23 | 0 | 0 | 0 | 105.7 | S282 L286 | S282-P284 WeakPolarHBondContact O-CD 3.49Å; P284-L286 PolarHBondContact O-N 3.25Å | ||
| 285 | D | 61 | Low | 63.9 | Low | 113 Ų | 113 | 117.1 Ų | 117.1 | 60% | 0.604 | 62% | 0.618 | S | S | * | * | trans | -64.9 | 86.7 | 169.2 | 178.4 | 17.7 | 0 | 0 | 0 | 108.5 | T287 G288 A289 | D285-T287 PolarHBondContact O-N 2.96Å; D285-T287 VanDerWaalsContact O-N 3.11Å; D285-T287 WeakPolarHBondContact OD1-CB 3.49Å; D285-T287 PolarHBondContact OD1-N 3.3Å; D285-G288 PolarHBondContact O-N 2.94Å; D285-G288 VanDerWaalsContact O-N 3.12Å; D285-G288 PolarHBondContact OD1-N 3.34Å; D285-G288 PolarHBondContact OD2-N 3.29Å; D285-A289 PolarHBondContact O-N 3.43Å | ||
| 286 | L | 66 | Low | 66.1 | Low | 111 Ų | 111 | 114.8 Ų | 114.8 | 58% | 0.581 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -56.5 | -29.8 | -177.4 | -128.9 | 81.6 | 0 | 0 | 0 | 110 | P284 L290 | P284-L286 PolarHBondContact O-N 3.25Å; L286-L290 WeakPolarHBondContact O-CB 3.5Å; L286-L290 VanDerWaalsContact O-CD1 3.3Å; L286-L290 WeakPolarHBondContact O-CD1 3.18Å; L286-L290 WeakPolarHBondContact O-CG 3.38Å; L286-L290 PolarHBondContact O-N 3.12Å |
| 287 | T | 74.7 | Confident | 68.6 | Low | 89 Ų | 89 | 115 Ų | 115 | 55% | 0.546 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -75.1 | -41.1 | -178 | -44.2 | 0 | 0 | 0 | 0 | 111.2 | D285 R291 | D285-T287 PolarHBondContact O-N 2.96Å; D285-T287 VanDerWaalsContact O-N 3.11Å; D285-T287 WeakPolarHBondContact OD1-CB 3.49Å; D285-T287 PolarHBondContact OD1-N 3.3Å; T287-R291 VanDerWaalsContact O-CB 3.32Å; T287-R291 WeakPolarHBondContact O-CB 3.46Å; T287-R291 PolarHBondContact O-N 3.11Å; T287-R291 VanDerWaalsContact O-N 3.14Å |
| 288 | G | 78.6 | Confident | 71.1 | Confident | 13 Ų | 13 | 112.6 Ų | 112.6 | 13% | 0.134 | 59% | 0.591 | C | S | . | * | H | α-helix | trans | -65.8 | -50.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D285 L290 R291 D292 | D285-G288 PolarHBondContact O-N 2.94Å; D285-G288 VanDerWaalsContact O-N 3.12Å; D285-G288 PolarHBondContact OD1-N 3.34Å; D285-G288 PolarHBondContact OD2-N 3.29Å; G288-L290 PolarHBondContact O-N 3.45Å; G288-R291 WeakPolarHBondContact O-CB 3.39Å; G288-R291 PolarHBondContact O-N 3.08Å; G288-R291 VanDerWaalsContact O-N 3.07Å; G288-D292 PolarHBondContact O-N 3.18Å |
| 289 | A | 81.3 | Confident | 73.5 | Confident | 46 Ų | 46 | 110 Ų | 110 | 38% | 0.38 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.1 | -40.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D285 R291 D292 I293 | D285-A289 PolarHBondContact O-N 3.43Å; A289-R291 VanDerWaalsContact C-N 3.32Å; A289-R291 PolarHBondContact O-N 3.4Å; A289-D292 PolarHBondContact O-N 3.32Å; A289-I293 WeakPolarHBondContact O-CB 3.16Å; A289-I293 WeakPolarHBondContact O-CD1 3.48Å; A289-I293 WeakPolarHBondContact O-CG1 3.24Å; A289-I293 PolarHBondContact O-N 3.26Å |
| 290 | L | 83 | Confident | 76.4 | Confident | 108 Ų | 108 | 108.1 Ų | 108.1 | 57% | 0.565 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.7 | -33.5 | 174.1 | -74.2 | 169.5 | 0 | 0 | 0 | 112.3 | L286 G288 R294 | L286-L290 WeakPolarHBondContact O-CB 3.5Å; L286-L290 VanDerWaalsContact O-CD1 3.3Å; L286-L290 WeakPolarHBondContact O-CD1 3.18Å; L286-L290 WeakPolarHBondContact O-CG 3.38Å; L286-L290 PolarHBondContact O-N 3.12Å; G288-L290 PolarHBondContact O-N 3.45Å; L290-R294 VanDerWaalsContact O-CB 3.29Å; L290-R294 WeakPolarHBondContact O-CB 3.3Å; L290-R294 PolarHBondContact O-N 3.44Å |
| 291 | R | 87.5 | Confident | 78.8 | Confident | 158 Ų | 158 | 106.8 Ų | 106.8 | 60% | 0.596 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -69.4 | -41.1 | 175.7 | -164.7 | -175.8 | -66.9 | 115.8 | -3.8 | 111.2 | T287 G288 A289 R294 A295 | T287-R291 VanDerWaalsContact O-CB 3.32Å; T287-R291 WeakPolarHBondContact O-CB 3.46Å; T287-R291 PolarHBondContact O-N 3.11Å; T287-R291 VanDerWaalsContact O-N 3.14Å; G288-R291 WeakPolarHBondContact O-CB 3.39Å; G288-R291 PolarHBondContact O-N 3.08Å; G288-R291 VanDerWaalsContact O-N 3.07Å; A289-R291 VanDerWaalsContact C-N 3.32Å; A289-R291 PolarHBondContact O-N 3.4Å; R291-R294 PolarHBondContact O-N 3.29Å; R291-A295 WeakPolarHBondContact O-CB 3.45Å; R291-A295 PolarHBondContact O-N 3.47Å |
| 292 | D | 87 | Confident | 81.4 | Confident | 99 Ų | 99 | 106.4 Ų | 106.4 | 53% | 0.529 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.6 | -42.4 | 177.3 | -69.9 | -14.7 | 0 | 0 | 0 | 112.1 | G288 A289 R294 A295 Q296 | G288-D292 PolarHBondContact O-N 3.18Å; A289-D292 PolarHBondContact O-N 3.32Å; D292-R294 VanDerWaalsContact C-N 3.29Å; D292-R294 PolarHBondContact O-N 2.99Å; D292-A295 PolarHBondContact O-N 3.41Å; D292-Q296 WeakPolarHBondContact O-CB 3.39Å; D292-Q296 WeakPolarHBondContact O-CG 3.48Å; D292-Q296 PolarHBondContact O-N 2.93Å |
| 293 | I | 89.7 | Confident | 83.9 | Confident | 83 Ų | 83 | 107.3 Ų | 107.3 | 43% | 0.426 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59 | -44.4 | 172.7 | -71 | 165.6 | 0 | 0 | 0 | 109.7 | A289 Q296 Y297 | A289-I293 WeakPolarHBondContact O-CB 3.16Å; A289-I293 WeakPolarHBondContact O-CD1 3.48Å; A289-I293 WeakPolarHBondContact O-CG1 3.24Å; A289-I293 PolarHBondContact O-N 3.26Å; I293-Q296 PolarHBondContact O-N 3.46Å; I293-Y297 HydrophobicContact CG2-CD2 3.65Å; I293-Y297 HydrophobicContact CG2-CE2 3.7Å; I293-Y297 VanDerWaalsContact O-CD2 3.27Å; I293-Y297 WeakPolarHBondContact O-CD2 3.27Å; I293-Y297 PolarHBondContact O-N 2.88Å |
| 294 | R | 90.1 | Very high | 85.8 | Confident | 173 Ų | 173 | 100.1 Ų | 100.1 | 65% | 0.653 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.5 | -45 | 176.7 | -167.8 | 179.4 | -166.4 | 141.5 | 5.8 | 112.2 | L290 R291 D292 Q296 Y297 E298 | L290-R294 VanDerWaalsContact O-CB 3.29Å; L290-R294 WeakPolarHBondContact O-CB 3.3Å; L290-R294 PolarHBondContact O-N 3.44Å; R291-R294 PolarHBondContact O-N 3.29Å; D292-R294 VanDerWaalsContact C-N 3.29Å; D292-R294 PolarHBondContact O-N 2.99Å; R294-Q296 VanDerWaalsContact C-N 3.33Å; R294-Q296 PolarHBondContact O-N 3.5Å; R294-Y297 PolarHBondContact O-N 2.94Å; R294-E298 IonicContact NE-OE1 3.74Å; R294-E298 WeakPolarHBondContact O-CB 3.45Å; R294-E298 WeakPolarHBondContact O-CG 3.37Å; R294-E298 PolarHBondContact O-N 3.45Å |
| 295 | A | 91.9 | Very high | 87.4 | Confident | 44 Ų | 44 | 101.7 Ų | 101.7 | 36% | 0.364 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.2 | -37.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R291 D292 E298 T299 | R291-A295 WeakPolarHBondContact O-CB 3.45Å; R291-A295 PolarHBondContact O-N 3.47Å; D292-A295 PolarHBondContact O-N 3.41Å; A295-E298 PolarHBondContact O-N 3.34Å; A295-T299 WeakPolarHBondContact O-CB 3.41Å; A295-T299 PolarHBondContact O-N 2.87Å; A295-T299 PolarHBondContact O-OG1 2.86Å |
| 296 | Q | 92.2 | Very high | 89 | Confident | 123 Ų | 123 | 101.8 Ų | 101.8 | 58% | 0.575 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.6 | -44.7 | 173.4 | -74 | -177.3 | 20.5 | 0 | 0 | 111.8 | D292 I293 R294 E298 T299 I300 | D292-Q296 WeakPolarHBondContact O-CB 3.39Å; D292-Q296 WeakPolarHBondContact O-CG 3.48Å; D292-Q296 PolarHBondContact O-N 2.93Å; I293-Q296 PolarHBondContact O-N 3.46Å; R294-Q296 VanDerWaalsContact C-N 3.33Å; R294-Q296 PolarHBondContact O-N 3.5Å; Q296-E298 PolarHBondContact O-N 2.57Å; Q296-T299 PolarHBondContact O-N 3.25Å; Q296-I300 WeakPolarHBondContact O-CB 3.24Å; Q296-I300 VanDerWaalsContact O-CG1 3.24Å; Q296-I300 WeakPolarHBondContact O-CG1 3.37Å; Q296-I300 PolarHBondContact O-N 3.15Å |
| 297 | Y | 93.9 | Very high | 90.4 | Very high | 167 Ų | 167 | 101.4 Ų | 101.4 | 66% | 0.655 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62 | -42 | 175 | -90.7 | -73.4 | 0 | 0 | 0 | 112.1 | I293 R294 T299 I300 A301 | I293-Y297 HydrophobicContact CG2-CD2 3.65Å; I293-Y297 HydrophobicContact CG2-CE2 3.7Å; I293-Y297 VanDerWaalsContact O-CD2 3.27Å; I293-Y297 WeakPolarHBondContact O-CD2 3.27Å; I293-Y297 PolarHBondContact O-N 2.88Å; R294-Y297 PolarHBondContact O-N 2.94Å; Y297-T299 VanDerWaalsContact C-N 3.33Å; Y297-T299 PolarHBondContact O-N 3.49Å; Y297-I300 PolarHBondContact O-N 2.91Å; Y297-A301 WeakPolarHBondContact O-CB 3.48Å; Y297-A301 PolarHBondContact O-N 3.41Å |
| 298 | E | 93.4 | Very high | 91.4 | Very high | 107 Ų | 107 | 99.3 Ų | 99.3 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 174.7 | -77.3 | 173.1 | -171.7 | 0 | 0 | 111.5 | R294 A295 Q296 A301 M302 | R294-E298 IonicContact NE-OE1 3.74Å; R294-E298 WeakPolarHBondContact O-CB 3.45Å; R294-E298 WeakPolarHBondContact O-CG 3.37Å; R294-E298 PolarHBondContact O-N 3.45Å; A295-E298 PolarHBondContact O-N 3.34Å; Q296-E298 PolarHBondContact O-N 2.57Å; E298-A301 PolarHBondContact O-N 2.91Å; E298-M302 WeakPolarHBondContact O-CB 3.49Å; E298-M302 VanDerWaalsContact O-CG 3.32Å; E298-M302 WeakPolarHBondContact O-CG 3.48Å; E298-M302 PolarHBondContact O-N 3.47Å |
| 299 | T | 94.9 | Very high | 92.2 | Very high | 82 Ų | 82 | 103.2 Ų | 103.2 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67 | -43.7 | 176.9 | -57.1 | 0 | 0 | 0 | 0 | 112 | A295 Q296 Y297 M302 K303 | A295-T299 WeakPolarHBondContact O-CB 3.41Å; A295-T299 PolarHBondContact O-N 2.87Å; A295-T299 PolarHBondContact O-OG1 2.86Å; Q296-T299 PolarHBondContact O-N 3.25Å; Y297-T299 VanDerWaalsContact C-N 3.33Å; Y297-T299 PolarHBondContact O-N 3.49Å; T299-M302 PolarHBondContact O-N 3.47Å; T299-K303 VanDerWaalsContact O-CB 3.25Å; T299-K303 WeakPolarHBondContact O-CB 3.25Å; T299-K303 PolarHBondContact O-N 3.22Å |
| 300 | I | 93.4 | Very high | 92.9 | Very high | 104 Ų | 104 | 105.9 Ų | 105.9 | 53% | 0.533 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 177 | -68.2 | 164.9 | 0 | 0 | 0 | 110.3 | Q296 Y297 K303 N304 | Q296-I300 WeakPolarHBondContact O-CB 3.24Å; Q296-I300 VanDerWaalsContact O-CG1 3.24Å; Q296-I300 WeakPolarHBondContact O-CG1 3.37Å; Q296-I300 PolarHBondContact O-N 3.15Å; Y297-I300 PolarHBondContact O-N 2.91Å; I300-K303 PolarHBondContact O-N 3.23Å; I300-N304 WeakPolarHBondContact O-CB 3.16Å; I300-N304 PolarHBondContact O-N 2.86Å |
| 301 | A | 94.2 | Very high | 93.6 | Very high | 61 Ų | 61 | 108.2 Ų | 108.2 | 50% | 0.504 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y297 E298 M305 | Y297-A301 WeakPolarHBondContact O-CB 3.48Å; Y297-A301 PolarHBondContact O-N 3.41Å; E298-A301 PolarHBondContact O-N 2.91Å; A301-M305 WeakPolarHBondContact O-CB 3.48Å; A301-M305 PolarHBondContact O-N 3.45Å |
| 302 | M | 95.6 | Very high | 94 | Very high | 116 Ų | 116 | 107 Ų | 107 | 57% | 0.571 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.8 | -45.8 | 174.3 | -77.2 | -170.5 | -64 | 0 | 0 | 111.7 | E298 T299 M305 Q306 | E298-M302 WeakPolarHBondContact O-CB 3.49Å; E298-M302 VanDerWaalsContact O-CG 3.32Å; E298-M302 WeakPolarHBondContact O-CG 3.48Å; E298-M302 PolarHBondContact O-N 3.47Å; T299-M302 PolarHBondContact O-N 3.47Å; M302-M305 PolarHBondContact O-N 2.88Å; M302-Q306 WeakPolarHBondContact O-CB 3.4Å; M302-Q306 PolarHBondContact O-N 3.35Å |
| 303 | K | 95.8 | Very high | 94.5 | Very high | 123 Ų | 123 | 108.5 Ų | 108.5 | 54% | 0.535 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 179 | -175.1 | 174.9 | 171.8 | 178.8 | 0 | 111.6 | T299 I300 M305 Q306 E307 | T299-K303 VanDerWaalsContact O-CB 3.25Å; T299-K303 WeakPolarHBondContact O-CB 3.25Å; T299-K303 PolarHBondContact O-N 3.22Å; I300-K303 PolarHBondContact O-N 3.23Å; K303-M305 VanDerWaalsContact C-N 3.32Å; K303-M305 PolarHBondContact O-N 3.48Å; K303-Q306 PolarHBondContact O-N 3.48Å; K303-E307 WeakPolarHBondContact CE-OE1 3.2Å; K303-E307 HydrophobicContact CG-CG 4.31Å; K303-E307 IonicContact NZ-OE1 3.84Å; K303-E307 WeakPolarHBondContact O-CB 3.33Å; K303-E307 VanDerWaalsContact O-CG 3.29Å; K303-E307 WeakPolarHBondContact O-CG 3.48Å; K303-E307 PolarHBondContact O-N 2.94Å |
| 304 | N | 94.6 | Very high | 94.9 | Very high | 98 Ų | 98 | 107.7 Ų | 107.7 | 52% | 0.524 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.5 | -40.3 | 176.7 | -176 | -82.6 | 0 | 0 | 0 | 111.9 | I300 S308 | I300-N304 WeakPolarHBondContact O-CB 3.16Å; I300-N304 PolarHBondContact O-N 2.86Å; N304-S308 VanDerWaalsContact O-CB 3.29Å; N304-S308 WeakPolarHBondContact O-CB 3.38Å; N304-S308 PolarHBondContact O-N 3.29Å; N304-S308 PolarHBondContact O-OG 3.16Å |
| 305 | M | 95.6 | Very high | 95.3 | Very high | 118 Ų | 118 | 104.4 Ų | 104.4 | 58% | 0.581 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.3 | -46 | 176 | -170.2 | 158.7 | 71 | 0 | 0 | 111.5 | A301 M302 K303 S308 E309 | A301-M305 WeakPolarHBondContact O-CB 3.48Å; A301-M305 PolarHBondContact O-N 3.45Å; M302-M305 PolarHBondContact O-N 2.88Å; K303-M305 VanDerWaalsContact C-N 3.32Å; K303-M305 PolarHBondContact O-N 3.48Å; M305-S308 PolarHBondContact O-N 3.49Å; M305-E309 WeakPolarHBondContact O-CG 3.5Å; M305-E309 PolarHBondContact O-N 3Å |
| 306 | Q | 96.4 | Very high | 95.5 | Very high | 115 Ų | 115 | 108.8 Ų | 108.8 | 54% | 0.537 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 177.9 | -175 | 175.7 | -8.3 | 0 | 0 | 112.4 | M302 K303 S308 E309 E310 | M302-Q306 WeakPolarHBondContact O-CB 3.4Å; M302-Q306 PolarHBondContact O-N 3.35Å; K303-Q306 PolarHBondContact O-N 3.48Å; Q306-S308 VanDerWaalsContact C-N 3.3Å; Q306-S308 PolarHBondContact O-N 3.4Å; Q306-E309 PolarHBondContact O-N 3.44Å; Q306-E310 HydrophobicContact CG-CG 4.48Å; Q306-E310 WeakPolarHBondContact CG-OE1 3.47Å; Q306-E310 PolarHBondContact NE2-OE1 3.06Å; Q306-E310 WeakPolarHBondContact O-CB 3.45Å; Q306-E310 WeakPolarHBondContact O-CG 3.45Å; Q306-E310 PolarHBondContact O-N 3.4Å |
| 307 | E | 95.2 | Very high | 95.8 | Very high | 102 Ų | 102 | 105.6 Ų | 105.6 | 48% | 0.477 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.2 | -40.2 | 176.6 | -75.1 | 175.2 | 171 | 0 | 0 | 111.3 | K303 E310 W311 | K303-E307 WeakPolarHBondContact CE-OE1 3.2Å; K303-E307 HydrophobicContact CG-CG 4.31Å; K303-E307 IonicContact NZ-OE1 3.84Å; K303-E307 WeakPolarHBondContact O-CB 3.33Å; K303-E307 VanDerWaalsContact O-CG 3.29Å; K303-E307 WeakPolarHBondContact O-CG 3.48Å; K303-E307 PolarHBondContact O-N 2.94Å; E307-E310 PolarHBondContact O-N 3.23Å; E307-W311 WeakPolarHBondContact O-CB 3.44Å; E307-W311 PolarHBondContact O-N 2.91Å |
| 308 | S | 94.6 | Very high | 95.9 | Very high | 45 Ų | 45 | 101.4 Ų | 101.4 | 32% | 0.315 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 174.5 | -62.9 | 0 | 0 | 0 | 0 | 111.4 | N304 M305 Q306 W311 Y312 | N304-S308 VanDerWaalsContact O-CB 3.29Å; N304-S308 WeakPolarHBondContact O-CB 3.38Å; N304-S308 PolarHBondContact O-N 3.29Å; N304-S308 PolarHBondContact O-OG 3.16Å; M305-S308 PolarHBondContact O-N 3.49Å; Q306-S308 VanDerWaalsContact C-N 3.3Å; Q306-S308 PolarHBondContact O-N 3.4Å; S308-W311 PolarHBondContact O-N 3.33Å; S308-Y312 WeakPolarHBondContact O-CD2 3.3Å; S308-Y312 PolarHBondContact O-N 3.46Å |
| 309 | E | 96 | Very high | 96.1 | Very high | 96 Ų | 96 | 101.4 Ų | 101.4 | 45% | 0.449 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 176.6 | -77.4 | -172.5 | -165.4 | 0 | 0 | 112.9 | M305 Q306 W311 Y312 K313 | M305-E309 WeakPolarHBondContact O-CG 3.5Å; M305-E309 PolarHBondContact O-N 3Å; Q306-E309 PolarHBondContact O-N 3.44Å; E309-W311 VanDerWaalsContact C-N 3.35Å; E309-Y312 PolarHBondContact O-N 3.49Å; E309-K313 WeakPolarHBondContact O-CB 3.44Å; E309-K313 VanDerWaalsContact O-CG 3.26Å; E309-K313 WeakPolarHBondContact O-CG 3.45Å; E309-K313 PolarHBondContact O-N 3.29Å; E309-K313 IonicContact OE2-NZ 3.45Å; E309-K313 PolarHBondContact OE2-NZ 3.35Å |
| 310 | E | 96.3 | Very high | 96.2 | Very high | 102 Ų | 102 | 101 Ų | 101 | 48% | 0.477 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 177.4 | -74.8 | 174.5 | -167.6 | 0 | 0 | 111.1 | Q306 E307 K313 S314 | Q306-E310 HydrophobicContact CG-CG 4.48Å; Q306-E310 WeakPolarHBondContact CG-OE1 3.47Å; Q306-E310 PolarHBondContact NE2-OE1 3.06Å; Q306-E310 WeakPolarHBondContact O-CB 3.45Å; Q306-E310 WeakPolarHBondContact O-CG 3.45Å; Q306-E310 PolarHBondContact O-N 3.4Å; E307-E310 PolarHBondContact O-N 3.23Å; E310-K313 PolarHBondContact O-N 2.99Å; E310-S314 VanDerWaalsContact O-CB 3.32Å; E310-S314 WeakPolarHBondContact O-CB 3.01Å; E310-S314 PolarHBondContact O-N 2.86Å |
| 311 | W | 96.6 | Very high | 96.4 | Very high | 157 Ų | 157 | 100.4 Ų | 100.4 | 60% | 0.595 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.2 | -47.5 | 174.4 | -175.8 | 87.5 | 0 | 0 | 0 | 111.8 | E307 S308 E309 S314 K315 | E307-W311 WeakPolarHBondContact O-CB 3.44Å; E307-W311 PolarHBondContact O-N 2.91Å; S308-W311 PolarHBondContact O-N 3.33Å; E309-W311 VanDerWaalsContact C-N 3.35Å; W311-S314 PolarHBondContact O-N 3.27Å; W311-K315 WeakPolarHBondContact O-CB 3.43Å; W311-K315 PolarHBondContact O-N 2.92Å |
| 312 | Y | 97.1 | Very high | 96.5 | Very high | 133 Ų | 133 | 100.8 Ų | 100.8 | 52% | 0.522 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.2 | -46.8 | 175.8 | -77.2 | -62.6 | 0 | 0 | 0 | 111.4 | S308 E309 S314 K315 F316 | S308-Y312 WeakPolarHBondContact O-CD2 3.3Å; S308-Y312 PolarHBondContact O-N 3.46Å; E309-Y312 PolarHBondContact O-N 3.49Å; Y312-S314 VanDerWaalsContact C-N 3.34Å; Y312-S314 PolarHBondContact O-N 3.44Å; Y312-K315 PolarHBondContact O-N 3.36Å; Y312-F316 WeakPolarHBondContact O-CB 3.35Å; Y312-F316 WeakPolarHBondContact O-CD2 3.25Å; Y312-F316 PolarHBondContact O-N 3.09Å |
| 313 | K | 97.9 | Very high | 96.5 | Very high | 130 Ų | 130 | 97.8 Ų | 97.8 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -57.8 | -46 | 177.7 | -76.4 | 168.8 | -173.2 | 159.4 | 0 | 111.7 | E309 E310 F316 A317 | E309-K313 WeakPolarHBondContact O-CB 3.44Å; E309-K313 VanDerWaalsContact O-CG 3.26Å; E309-K313 WeakPolarHBondContact O-CG 3.45Å; E309-K313 PolarHBondContact O-N 3.29Å; E309-K313 IonicContact OE2-NZ 3.45Å; E309-K313 PolarHBondContact OE2-NZ 3.35Å; E310-K313 PolarHBondContact O-N 2.99Å; K313-F316 PolarHBondContact O-N 3.07Å; K313-A317 WeakPolarHBondContact O-CB 3.49Å; K313-A317 PolarHBondContact O-N 2.84Å |
| 314 | S | 97.4 | Very high | 96.6 | Very high | 65 Ų | 65 | 98.2 Ų | 98.2 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 176 | -171 | 0 | 0 | 0 | 0 | 110.9 | E310 W311 Y312 F316 A317 D318 | E310-S314 VanDerWaalsContact O-CB 3.32Å; E310-S314 WeakPolarHBondContact O-CB 3.01Å; E310-S314 PolarHBondContact O-N 2.86Å; W311-S314 PolarHBondContact O-N 3.27Å; Y312-S314 VanDerWaalsContact C-N 3.34Å; Y312-S314 PolarHBondContact O-N 3.44Å; S314-F316 VanDerWaalsContact C-N 3.35Å; S314-F316 PolarHBondContact O-N 3.42Å; S314-A317 WeakPolarHBondContact O-CB 3.33Å; S314-A317 PolarHBondContact O-N 3.37Å; S314-A317 VanDerWaalsContact O-N 3.1Å; S314-D318 PolarHBondContact O-N 3.16Å |
| 315 | K | 97.6 | Very high | 96.7 | Very high | 104 Ų | 104 | 100 Ų | 100 | 45% | 0.452 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 179.9 | -158.2 | 65.2 | 177.9 | 174.9 | 0 | 113.1 | W311 Y312 L319 | W311-K315 WeakPolarHBondContact O-CB 3.43Å; W311-K315 PolarHBondContact O-N 2.92Å; Y312-K315 PolarHBondContact O-N 3.36Å; K315-L319 WeakPolarHBondContact O-CB 3.48Å; K315-L319 VanDerWaalsContact O-CG 3.31Å; K315-L319 WeakPolarHBondContact O-CG 3.08Å; K315-L319 PolarHBondContact O-N 2.97Å |
| 316 | F | 97.4 | Very high | 96.8 | Very high | 136 Ų | 136 | 99.7 Ų | 99.7 | 60% | 0.596 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.4 | -40.1 | 172.8 | -85.2 | -68.2 | 0 | 0 | 0 | 112 | Y312 K313 S314 T320 | Y312-F316 WeakPolarHBondContact O-CB 3.35Å; Y312-F316 WeakPolarHBondContact O-CD2 3.25Å; Y312-F316 PolarHBondContact O-N 3.09Å; K313-F316 PolarHBondContact O-N 3.07Å; S314-F316 VanDerWaalsContact C-N 3.35Å; S314-F316 PolarHBondContact O-N 3.42Å; F316-T320 VanDerWaalsContact O-CB 3.29Å; F316-T320 WeakPolarHBondContact O-CB 3.07Å; F316-T320 PolarHBondContact O-N 3.22Å; F316-T320 PolarHBondContact O-OG1 3.32Å |
| 317 | A | 97.6 | Very high | 96.8 | Very high | 56 Ų | 56 | 98.5 Ų | 98.5 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -47.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | K313 S314 L319 T320 E321 | K313-A317 WeakPolarHBondContact O-CB 3.49Å; K313-A317 PolarHBondContact O-N 2.84Å; S314-A317 WeakPolarHBondContact O-CB 3.33Å; S314-A317 PolarHBondContact O-N 3.37Å; S314-A317 VanDerWaalsContact O-N 3.1Å; A317-L319 PolarHBondContact O-N 3.47Å; A317-T320 PolarHBondContact O-N 2.89Å; A317-E321 WeakPolarHBondContact O-CB 3.29Å; A317-E321 PolarHBondContact O-N 3.33Å |
| 318 | D | 96.9 | Very high | 96.9 | Very high | 79 Ų | 79 | 98.4 Ų | 98.4 | 42% | 0.422 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 176.9 | -73.1 | -10.8 | 0 | 0 | 0 | 112.2 | S314 T320 E321 S322 | S314-D318 PolarHBondContact O-N 3.16Å; D318-T320 VanDerWaalsContact C-N 3.34Å; D318-T320 PolarHBondContact O-N 3.45Å; D318-E321 PolarHBondContact O-N 2.88Å; D318-S322 VanDerWaalsContact O-CB 3.28Å; D318-S322 WeakPolarHBondContact O-CB 3.28Å; D318-S322 PolarHBondContact O-N 3.47Å |
| 319 | L | 96.4 | Very high | 96.9 | Very high | 107 Ų | 107 | 99.1 Ų | 99.1 | 56% | 0.56 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.9 | -42.3 | 177 | -75.9 | 172.7 | 0 | 0 | 0 | 111.5 | K315 A317 S322 A323 | K315-L319 WeakPolarHBondContact O-CB 3.48Å; K315-L319 VanDerWaalsContact O-CG 3.31Å; K315-L319 WeakPolarHBondContact O-CG 3.08Å; K315-L319 PolarHBondContact O-N 2.97Å; A317-L319 PolarHBondContact O-N 3.47Å; L319-S322 PolarHBondContact O-N 2.97Å; L319-A323 WeakPolarHBondContact O-CB 3.46Å; L319-A323 PolarHBondContact O-N 3.37Å |
| 320 | T | 97.3 | Very high | 96.9 | Very high | 73 Ų | 73 | 99 Ų | 99 | 45% | 0.448 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 177.9 | -59 | 0 | 0 | 0 | 0 | 111.1 | F316 A317 D318 A323 K324 | F316-T320 VanDerWaalsContact O-CB 3.29Å; F316-T320 WeakPolarHBondContact O-CB 3.07Å; F316-T320 PolarHBondContact O-N 3.22Å; F316-T320 PolarHBondContact O-OG1 3.32Å; A317-T320 PolarHBondContact O-N 2.89Å; D318-T320 VanDerWaalsContact C-N 3.34Å; D318-T320 PolarHBondContact O-N 3.45Å; T320-A323 PolarHBondContact O-N 2.92Å; T320-K324 WeakPolarHBondContact O-CG 3.42Å; T320-K324 PolarHBondContact O-N 3.41Å |
| 321 | E | 97.9 | Very high | 97 | Very high | 92 Ų | 92 | 101.2 Ų | 101.2 | 43% | 0.43 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.7 | -41.6 | 178.7 | -158 | -168.3 | -164.8 | 0 | 0 | 111.6 | A317 D318 K324 R325 | A317-E321 WeakPolarHBondContact O-CB 3.29Å; A317-E321 PolarHBondContact O-N 3.33Å; D318-E321 PolarHBondContact O-N 2.88Å; E321-K324 PolarHBondContact O-N 2.88Å; E321-R325 VanDerWaalsContact CG-NH1 3.29Å; E321-R325 WeakPolarHBondContact O-CG 3.5Å; E321-R325 PolarHBondContact O-N 3.38Å; E321-R325 IonicContact OE1-CZ 3.2Å; E321-R325 IonicContact OE1-NH1 2.77Å; E321-R325 IonicContact OE1-NH2 3.75Å; E321-R325 PolarHBondContact OE1-NH2 3.1Å; E321-R325 IonicContact OE2-CZ 3.05Å; E321-R325 IonicContact OE2-NH1 3.45Å; E321-R325 PolarHBondContact OE2-NH1 2.92Å; E321-R325 IonicContact OE2-NH2 2.75Å; E321-R325 PolarHBondContact OE2-NH2 3.13Å |
| 322 | S | 95.8 | Very high | 96.9 | Very high | 69 Ų | 69 | 97.7 Ų | 97.7 | 48% | 0.483 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 173.1 | -173.9 | 0 | 0 | 0 | 0 | 111.9 | D318 L319 K324 R325 N326 | D318-S322 VanDerWaalsContact O-CB 3.28Å; D318-S322 WeakPolarHBondContact O-CB 3.28Å; D318-S322 PolarHBondContact O-N 3.47Å; L319-S322 PolarHBondContact O-N 2.97Å; S322-K324 VanDerWaalsContact C-N 3.35Å; S322-K324 PolarHBondContact O-N 3.46Å; S322-R325 PolarHBondContact O-N 2.84Å; S322-N326 WeakPolarHBondContact O-CB 3.33Å; S322-N326 PolarHBondContact O-N 3.01Å |
| 323 | A | 96.6 | Very high | 96.6 | Very high | 54 Ų | 54 | 94 Ų | 94 | 45% | 0.446 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62 | -40.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L319 T320 N326 T327 | L319-A323 WeakPolarHBondContact O-CB 3.46Å; L319-A323 PolarHBondContact O-N 3.37Å; T320-A323 PolarHBondContact O-N 2.92Å; A323-N326 PolarHBondContact O-N 3.34Å; A323-T327 WeakPolarHBondContact O-CB 3.49Å; A323-T327 PolarHBondContact O-N 2.98Å; A323-T327 PolarHBondContact O-OG1 3.05Å |
| 324 | K | 97.7 | Very high | 96.5 | Very high | 131 Ų | 131 | 94.6 Ų | 94.6 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.9 | -51 | 173.8 | -74.8 | 173.7 | -179.1 | 178.1 | 0 | 111.5 | T320 E321 S322 N326 T327 D328 | T320-K324 WeakPolarHBondContact O-CG 3.42Å; T320-K324 PolarHBondContact O-N 3.41Å; E321-K324 PolarHBondContact O-N 2.88Å; S322-K324 VanDerWaalsContact C-N 3.35Å; S322-K324 PolarHBondContact O-N 3.46Å; K324-N326 VanDerWaalsContact C-N 3.3Å; K324-N326 PolarHBondContact O-N 3.02Å; K324-T327 WeakPolarHBondContact O-CB 3.44Å; K324-T327 PolarHBondContact O-N 3.42Å; K324-T327 VanDerWaalsContact O-N 3.09Å; K324-D328 PolarHBondContact O-N 3.49Å |
| 325 | R | 97.3 | Very high | 96.4 | Very high | 137 Ų | 137 | 95 Ų | 95 | 52% | 0.517 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.6 | -42.8 | 177.2 | -71.2 | -177.4 | -173.8 | 104.2 | -4.2 | 112.2 | E321 S322 D328 A329 | E321-R325 VanDerWaalsContact CG-NH1 3.29Å; E321-R325 WeakPolarHBondContact O-CG 3.5Å; E321-R325 PolarHBondContact O-N 3.38Å; E321-R325 IonicContact OE1-CZ 3.2Å; E321-R325 IonicContact OE1-NH1 2.77Å; E321-R325 IonicContact OE1-NH2 3.75Å; E321-R325 PolarHBondContact OE1-NH2 3.1Å; E321-R325 IonicContact OE2-CZ 3.05Å; E321-R325 IonicContact OE2-NH1 3.45Å; E321-R325 PolarHBondContact OE2-NH1 2.92Å; E321-R325 IonicContact OE2-NH2 2.75Å; E321-R325 PolarHBondContact OE2-NH2 3.13Å; S322-R325 PolarHBondContact O-N 2.84Å; R325-D328 PolarHBondContact O-N 3Å; R325-A329 VanDerWaalsContact O-CB 3.3Å; R325-A329 WeakPolarHBondContact O-CB 3.36Å; R325-A329 PolarHBondContact O-N 2.66Å |
| 326 | N | 96.7 | Very high | 96.2 | Very high | 110 Ų | 110 | 93.4 Ų | 93.4 | 59% | 0.588 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.1 | -42.7 | 176.9 | -168.7 | -12 | 0 | 0 | 0 | 111.5 | S322 A323 K324 D328 A329 L330 | S322-N326 WeakPolarHBondContact O-CB 3.33Å; S322-N326 PolarHBondContact O-N 3.01Å; A323-N326 PolarHBondContact O-N 3.34Å; K324-N326 VanDerWaalsContact C-N 3.3Å; K324-N326 PolarHBondContact O-N 3.02Å; N326-D328 VanDerWaalsContact C-N 3.35Å; N326-D328 PolarHBondContact O-N 3.4Å; N326-A329 PolarHBondContact O-N 3.19Å; N326-L330 WeakPolarHBondContact O-CB 3.36Å; N326-L330 PolarHBondContact O-N 2.83Å |
| 327 | T | 97.1 | Very high | 95.9 | Very high | 91 Ų | 91 | 89.8 Ų | 89.8 | 56% | 0.558 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.1 | -42.5 | 176.4 | -54.5 | 0 | 0 | 0 | 0 | 111.8 | A323 K324 L330 R331 | A323-T327 WeakPolarHBondContact O-CB 3.49Å; A323-T327 PolarHBondContact O-N 2.98Å; A323-T327 PolarHBondContact O-OG1 3.05Å; K324-T327 WeakPolarHBondContact O-CB 3.44Å; K324-T327 PolarHBondContact O-N 3.42Å; K324-T327 VanDerWaalsContact O-N 3.09Å; T327-L330 PolarHBondContact O-N 2.87Å; T327-R331 WeakPolarHBondContact O-CB 3.33Å; T327-R331 PolarHBondContact O-N 3.13Å |
| 328 | D | 97.1 | Very high | 95.7 | Very high | 99 Ų | 99 | 88.5 Ų | 88.5 | 53% | 0.529 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.2 | -43.1 | 177 | -71.8 | -28.2 | 0 | 0 | 0 | 111.8 | K324 R325 N326 L330 R331 Q332 | K324-D328 PolarHBondContact O-N 3.49Å; R325-D328 PolarHBondContact O-N 3Å; N326-D328 VanDerWaalsContact C-N 3.35Å; N326-D328 PolarHBondContact O-N 3.4Å; D328-L330 VanDerWaalsContact C-N 3.32Å; D328-L330 PolarHBondContact O-N 3.46Å; D328-R331 WeakPolarHBondContact O-CB 3.26Å; D328-R331 PolarHBondContact O-N 3.08Å; D328-R331 VanDerWaalsContact O-N 3.16Å; D328-Q332 PolarHBondContact O-N 2.89Å |
| 329 | A | 95 | Very high | 95.6 | Very high | 60 Ų | 60 | 88.8 Ų | 88.8 | 50% | 0.496 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R325 N326 Q332 A333 | R325-A329 VanDerWaalsContact O-CB 3.3Å; R325-A329 WeakPolarHBondContact O-CB 3.36Å; R325-A329 PolarHBondContact O-N 2.66Å; N326-A329 PolarHBondContact O-N 3.19Å; A329-Q332 PolarHBondContact O-N 3.41Å; A329-A333 WeakPolarHBondContact O-CB 3.39Å; A329-A333 PolarHBondContact O-N 3.09Å |
| 330 | L | 96.1 | Very high | 95 | Very high | 95 Ų | 95 | 86.5 Ų | 86.5 | 50% | 0.497 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.5 | -39 | 175.2 | -172.9 | 69.6 | 0 | 0 | 0 | 111.8 | N326 T327 D328 K334 | N326-L330 WeakPolarHBondContact O-CB 3.36Å; N326-L330 PolarHBondContact O-N 2.83Å; T327-L330 PolarHBondContact O-N 2.87Å; D328-L330 VanDerWaalsContact C-N 3.32Å; D328-L330 PolarHBondContact O-N 3.46Å; L330-K334 WeakPolarHBondContact O-CB 3.26Å; L330-K334 WeakPolarHBondContact O-CG 3.44Å; L330-K334 PolarHBondContact O-N 3.29Å |
| 331 | R | 97.2 | Very high | 94.7 | Very high | 148 Ų | 148 | 91.6 Ų | 91.6 | 56% | 0.558 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.6 | -44.1 | 175.7 | -163.9 | -170.6 | 80 | 75.5 | 6.1 | 110.8 | T327 D328 K334 Q335 | T327-R331 WeakPolarHBondContact O-CB 3.33Å; T327-R331 PolarHBondContact O-N 3.13Å; D328-R331 WeakPolarHBondContact O-CB 3.26Å; D328-R331 PolarHBondContact O-N 3.08Å; D328-R331 VanDerWaalsContact O-N 3.16Å; R331-K334 PolarHBondContact O-N 3.25Å; R331-Q335 PolarHBondContact O-N 2.93Å |
| 332 | Q | 95.3 | Very high | 94.5 | Very high | 82 Ų | 82 | 94.7 Ų | 94.7 | 38% | 0.383 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.8 | -49.4 | 177.5 | -169.8 | 61.2 | 41.2 | 0 | 0 | 111.1 | D328 A329 K334 Q335 D336 | D328-Q332 PolarHBondContact O-N 2.89Å; A329-Q332 PolarHBondContact O-N 3.41Å; Q332-K334 VanDerWaalsContact C-N 3.25Å; Q332-K334 PolarHBondContact O-N 3.29Å; Q332-Q335 WeakPolarHBondContact O-CA 3.37Å; Q332-Q335 WeakPolarHBondContact O-CB 3.43Å; Q332-Q335 PolarHBondContact O-N 3.1Å; Q332-D336 PolarHBondContact NE2-OD1 3.49Å; Q332-D336 VanDerWaalsContact O-CG 3.27Å; Q332-D336 PolarHBondContact O-N 3Å |
| 333 | A | 91.4 | Very high | 94.3 | Very high | 55 Ų | 55 | 97.5 Ų | 97.5 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.8 | -37.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A329 A337 | A329-A333 WeakPolarHBondContact O-CB 3.39Å; A329-A333 PolarHBondContact O-N 3.09Å; A333-A337 VanDerWaalsContact O-CB 3.28Å; A333-A337 WeakPolarHBondContact O-CB 3.45Å; A333-A337 PolarHBondContact O-N 2.96Å |
| 334 | K | 95.3 | Very high | 93.9 | Very high | 144 Ų | 144 | 99.7 Ų | 99.7 | 63% | 0.626 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.8 | -39.3 | 173.5 | -77.7 | -179.9 | 177.3 | -179 | 0 | 112.7 | L330 R331 Q332 G338 | L330-K334 WeakPolarHBondContact O-CB 3.26Å; L330-K334 WeakPolarHBondContact O-CG 3.44Å; L330-K334 PolarHBondContact O-N 3.29Å; R331-K334 PolarHBondContact O-N 3.25Å; Q332-K334 VanDerWaalsContact C-N 3.25Å; Q332-K334 PolarHBondContact O-N 3.29Å; K334-G338 PolarHBondContact O-N 3.22Å |
| 335 | Q | 96 | Very high | 93.5 | Very high | 74 Ų | 74 | 98.6 Ų | 98.6 | 35% | 0.346 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.3 | -48.9 | 175.9 | 179.5 | 175.9 | -19.5 | 0 | 0 | 110.6 | R331 Q332 A337 G338 E339 | R331-Q335 PolarHBondContact O-N 2.93Å; Q332-Q335 WeakPolarHBondContact O-CA 3.37Å; Q332-Q335 WeakPolarHBondContact O-CB 3.43Å; Q332-Q335 PolarHBondContact O-N 3.1Å; Q335-A337 VanDerWaalsContact C-N 3.33Å; Q335-A337 PolarHBondContact O-N 2.93Å; Q335-G338 CarbonylContact O-C 3.48Å; Q335-G338 WeakPolarHBondContact O-CA 3.46Å; Q335-G338 PolarHBondContact O-N 3.06Å; Q335-E339 WeakPolarHBondContact CG-OE1 3.48Å; Q335-E339 PolarHBondContact NE2-OE1 3.36Å; Q335-E339 PolarHBondContact O-N 2.96Å |
| 336 | D | 92.1 | Very high | 93.1 | Very high | 70 Ų | 70 | 95 Ų | 95 | 37% | 0.374 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.2 | -40.2 | -180 | -60.1 | -13.2 | 0 | 0 | 0 | 111.5 | Q332 G338 E339 S340 | Q332-D336 PolarHBondContact NE2-OD1 3.49Å; Q332-D336 VanDerWaalsContact O-CG 3.27Å; Q332-D336 PolarHBondContact O-N 3Å; D336-G338 VanDerWaalsContact C-N 3.33Å; D336-G338 PolarHBondContact O-N 3.49Å; D336-E339 PolarHBondContact O-N 2.93Å; D336-S340 WeakPolarHBondContact O-CB 3.43Å; D336-S340 PolarHBondContact O-N 3.46Å; D336-S340 PolarHBondContact O-OG 2.75Å |
| 337 | A | 91.7 | Very high | 92.5 | Very high | 60 Ų | 60 | 93.8 Ų | 93.8 | 50% | 0.496 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A333 Q335 R341 | A333-A337 VanDerWaalsContact O-CB 3.28Å; A333-A337 WeakPolarHBondContact O-CB 3.45Å; A333-A337 PolarHBondContact O-N 2.96Å; Q335-A337 VanDerWaalsContact C-N 3.33Å; Q335-A337 PolarHBondContact O-N 2.93Å; A337-R341 WeakPolarHBondContact O-CB 3.38Å; A337-R341 PolarHBondContact O-N 3.33Å |
| 338 | G | 92.8 | Very high | 91.9 | Very high | 29 Ų | 29 | 93.3 Ų | 93.3 | 30% | 0.299 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.1 | -36.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K334 Q335 D336 R342 | K334-G338 PolarHBondContact O-N 3.22Å; Q335-G338 CarbonylContact O-C 3.48Å; Q335-G338 WeakPolarHBondContact O-CA 3.46Å; Q335-G338 PolarHBondContact O-N 3.06Å; D336-G338 VanDerWaalsContact C-N 3.33Å; D336-G338 PolarHBondContact O-N 3.49Å; G338-R342 WeakPolarHBondContact O-CG 3.24Å; G338-R342 PolarHBondContact O-N 2.72Å; G338-R342 VanDerWaalsContact O-N 3.12Å; G338-R342 PolarHBondContact O-NE 2.72Å |
| 339 | E | 94.3 | Very high | 91.5 | Very high | 84 Ų | 84 | 92.9 Ų | 92.9 | 39% | 0.393 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.4 | -46.8 | 173.6 | -73.1 | 174.5 | -162.8 | 0 | 0 | 111.4 | Q335 D336 R341 R342 Q343 | Q335-E339 WeakPolarHBondContact CG-OE1 3.48Å; Q335-E339 PolarHBondContact NE2-OE1 3.36Å; Q335-E339 PolarHBondContact O-N 2.96Å; D336-E339 PolarHBondContact O-N 2.93Å; E339-R341 VanDerWaalsContact C-N 3.29Å; E339-R341 PolarHBondContact O-N 2.79Å; E339-R342 VanDerWaalsContact CG-NH2 3.34Å; E339-R342 WeakPolarHBondContact O-CB 3.04Å; E339-R342 PolarHBondContact O-N 2.75Å; E339-Q343 PolarHBondContact O-N 3.06Å |
| 340 | S | 84.6 | Confident | 91.3 | Very high | 60 Ų | 60 | 95.3 Ų | 95.3 | 42% | 0.42 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57 | -43.1 | 174.7 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | D336 R342 Q343 I344 | D336-S340 WeakPolarHBondContact O-CB 3.43Å; D336-S340 PolarHBondContact O-N 3.46Å; D336-S340 PolarHBondContact O-OG 2.75Å; S340-R342 PolarHBondContact O-N 2.79Å; S340-Q343 PolarHBondContact O-N 2.92Å; S340-I344 VanDerWaalsContact O-CG1 3.3Å; S340-I344 WeakPolarHBondContact O-CG1 3.4Å; S340-I344 PolarHBondContact O-N 3.45Å |
| 341 | R | 91.1 | Very high | 90.7 | Very high | 179 Ų | 179 | 94.4 Ų | 94.4 | 68% | 0.675 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63 | -40.3 | 175.9 | -168.3 | 176.3 | -165 | 163.6 | 4.6 | 112.5 | A337 E339 I344 Q345 | A337-R341 WeakPolarHBondContact O-CB 3.38Å; A337-R341 PolarHBondContact O-N 3.33Å; E339-R341 VanDerWaalsContact C-N 3.29Å; E339-R341 PolarHBondContact O-N 2.79Å; R341-I344 PolarHBondContact O-N 2.97Å; R341-Q345 WeakPolarHBondContact O-CG 3.42Å; R341-Q345 PolarHBondContact O-N 3.4Å; R341-Q345 VanDerWaalsContact O-N 3.07Å |
| 342 | R | 93.4 | Very high | 90.2 | Very high | 157 Ų | 157 | 91.2 Ų | 91.2 | 59% | 0.592 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66.2 | -40.1 | 175.5 | -77.4 | -177 | -77.2 | 177.5 | -0.4 | 111.6 | G338 E339 S340 Q345 A346 | G338-R342 WeakPolarHBondContact O-CG 3.24Å; G338-R342 PolarHBondContact O-N 2.72Å; G338-R342 VanDerWaalsContact O-N 3.12Å; G338-R342 PolarHBondContact O-NE 2.72Å; E339-R342 VanDerWaalsContact CG-NH2 3.34Å; E339-R342 WeakPolarHBondContact O-CB 3.04Å; E339-R342 PolarHBondContact O-N 2.75Å; S340-R342 PolarHBondContact O-N 2.79Å; R342-Q345 PolarHBondContact O-N 3.25Å; R342-A346 PolarHBondContact O-N 3.42Å |
| 343 | Q | 92.4 | Very high | 89.8 | Confident | 128 Ų | 128 | 89.8 Ų | 89.8 | 60% | 0.598 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.7 | -43.6 | 175.9 | -171.7 | 175.5 | 9.2 | 0 | 0 | 111.7 | E339 S340 Q345 A346 L347 | E339-Q343 PolarHBondContact O-N 3.06Å; S340-Q343 PolarHBondContact O-N 2.92Å; Q343-Q345 VanDerWaalsContact C-N 3.31Å; Q343-Q345 PolarHBondContact O-N 2.92Å; Q343-A346 PolarHBondContact O-N 2.91Å; Q343-L347 HydrophobicContact CG-CD1 4.22Å; Q343-L347 WeakPolarHBondContact O-CB 3.39Å; Q343-L347 WeakPolarHBondContact O-CG 3.49Å; Q343-L347 PolarHBondContact O-N 3.28Å |
| 344 | I | 88 | Confident | 89.2 | Confident | 100 Ų | 100 | 92.1 Ų | 92.1 | 51% | 0.513 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 174.3 | -69.7 | 164.9 | 0 | 0 | 0 | 110.8 | S340 R341 L347 N348 | S340-I344 VanDerWaalsContact O-CG1 3.3Å; S340-I344 WeakPolarHBondContact O-CG1 3.4Å; S340-I344 PolarHBondContact O-N 3.45Å; R341-I344 PolarHBondContact O-N 2.97Å; I344-L347 PolarHBondContact O-N 3.43Å; I344-N348 WeakPolarHBondContact O-CB 3.47Å; I344-N348 VanDerWaalsContact O-CG 3.27Å; I344-N348 PolarHBondContact O-N 3.24Å; I344-N348 PolarHBondContact O-ND2 3.23Å; I344-N348 VanDerWaalsContact O-ND2 3.16Å |
| 345 | Q | 89.7 | Confident | 88.8 | Confident | 108 Ų | 108 | 90.6 Ų | 90.6 | 51% | 0.505 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 177 | -73.7 | 174.4 | -5.9 | 0 | 0 | 112.3 | R341 R342 Q343 N348 C349 | R341-Q345 WeakPolarHBondContact O-CG 3.42Å; R341-Q345 PolarHBondContact O-N 3.4Å; R341-Q345 VanDerWaalsContact O-N 3.07Å; R342-Q345 PolarHBondContact O-N 3.25Å; Q343-Q345 VanDerWaalsContact C-N 3.31Å; Q343-Q345 PolarHBondContact O-N 2.92Å; Q345-N348 PolarHBondContact O-N 3.48Å; Q345-C349 PolarHBondContact O-N 3.42Å; Q345-C349 PolarHBondContact O-SG 2.97Å |
| 346 | A | 88.9 | Confident | 88.3 | Confident | 61 Ų | 61 | 92 Ų | 92 | 50% | 0.504 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.3 | -46.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R342 Q343 N348 C349 E350 | R342-A346 PolarHBondContact O-N 3.42Å; Q343-A346 PolarHBondContact O-N 2.91Å; A346-N348 PolarHBondContact O-N 3Å; A346-C349 WeakPolarHBondContact O-CB 3.29Å; A346-C349 PolarHBondContact O-N 2.92Å; A346-E350 PolarHBondContact O-N 3.35Å |
| 347 | L | 84.2 | Confident | 88 | Confident | 85 Ų | 85 | 92.3 Ų | 92.3 | 45% | 0.445 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 176.8 | -71.8 | 173.1 | 0 | 0 | 0 | 112.1 | Q343 I344 E350 I351 | Q343-L347 HydrophobicContact CG-CD1 4.22Å; Q343-L347 WeakPolarHBondContact O-CB 3.39Å; Q343-L347 WeakPolarHBondContact O-CG 3.49Å; Q343-L347 PolarHBondContact O-N 3.28Å; I344-L347 PolarHBondContact O-N 3.43Å; L347-E350 PolarHBondContact O-N 2.85Å; L347-I351 WeakPolarHBondContact O-CB 3.5Å; L347-I351 VanDerWaalsContact O-CG1 3.26Å; L347-I351 WeakPolarHBondContact O-CG1 3.47Å; L347-I351 PolarHBondContact O-N 2.99Å |
| 348 | N | 83.9 | Confident | 87.5 | Confident | 82 Ų | 82 | 93.7 Ų | 93.7 | 44% | 0.439 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 174.8 | -76.5 | -32 | 0 | 0 | 0 | 111.9 | I344 Q345 A346 E350 I351 D352 | I344-N348 WeakPolarHBondContact O-CB 3.47Å; I344-N348 VanDerWaalsContact O-CG 3.27Å; I344-N348 PolarHBondContact O-N 3.24Å; I344-N348 PolarHBondContact O-ND2 3.23Å; I344-N348 VanDerWaalsContact O-ND2 3.16Å; Q345-N348 PolarHBondContact O-N 3.48Å; A346-N348 PolarHBondContact O-N 3Å; N348-E350 VanDerWaalsContact C-N 3.31Å; N348-E350 PolarHBondContact O-N 3.16Å; N348-I351 PolarHBondContact O-N 3.12Å; N348-D352 PolarHBondContact O-N 3.06Å |
| 349 | C | 89.1 | Confident | 87.4 | Confident | 89 Ų | 89 | 97.3 Ų | 97.3 | 60% | 0.601 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.7 | -39.4 | 174.8 | -69.9 | 0 | 0 | 0 | 0 | 112.1 | Q345 A346 D352 A353 | Q345-C349 PolarHBondContact O-N 3.42Å; Q345-C349 PolarHBondContact O-SG 2.97Å; A346-C349 WeakPolarHBondContact O-CB 3.29Å; A346-C349 PolarHBondContact O-N 2.92Å; C349-D352 PolarHBondContact O-N 3.42Å; C349-A353 WeakPolarHBondContact O-CB 3.44Å; C349-A353 PolarHBondContact O-N 3.19Å |
| 350 | E | 90.2 | Very high | 87.1 | Confident | 112 Ų | 112 | 95.6 Ų | 95.6 | 52% | 0.523 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 175.7 | -174.3 | 175.7 | -174.3 | 0 | 0 | 111.6 | A346 L347 N348 D352 A353 L354 | A346-E350 PolarHBondContact O-N 3.35Å; L347-E350 PolarHBondContact O-N 2.85Å; N348-E350 VanDerWaalsContact C-N 3.31Å; N348-E350 PolarHBondContact O-N 3.16Å; E350-D352 VanDerWaalsContact C-N 3.33Å; E350-D352 PolarHBondContact O-N 3Å; E350-A353 PolarHBondContact O-N 3.19Å; E350-L354 HydrophobicContact CG-CD1 4.24Å; E350-L354 WeakPolarHBondContact O-CB 3.39Å; E350-L354 WeakPolarHBondContact O-CG 3.35Å; E350-L354 PolarHBondContact O-N 3Å |
| 351 | I | 83.6 | Confident | 87.1 | Confident | 76 Ų | 76 | 97.9 Ų | 97.9 | 39% | 0.39 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.4 | -47.6 | 174 | -72.5 | 166 | 0 | 0 | 0 | 110.5 | L347 N348 L354 K355 | L347-I351 WeakPolarHBondContact O-CB 3.5Å; L347-I351 VanDerWaalsContact O-CG1 3.26Å; L347-I351 WeakPolarHBondContact O-CG1 3.47Å; L347-I351 PolarHBondContact O-N 2.99Å; N348-I351 PolarHBondContact O-N 3.12Å; I351-L354 PolarHBondContact O-N 3.31Å; I351-K355 HydrophobicContact CG2-CD 4.11Å; I351-K355 VanDerWaalsContact CG2-CE 3.47Å; I351-K355 HydrophobicContact CG2-CG 4.48Å; I351-K355 VanDerWaalsContact O-CG 3.31Å; I351-K355 WeakPolarHBondContact O-CG 2.95Å; I351-K355 PolarHBondContact O-N 3.12Å |
| 352 | D | 87.3 | Confident | 87 | Confident | 81 Ų | 81 | 92.9 Ų | 92.9 | 43% | 0.433 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.6 | -36.1 | -179.3 | -69.5 | -21.1 | 0 | 0 | 0 | 111.8 | N348 C349 E350 K355 N356 | N348-D352 PolarHBondContact O-N 3.06Å; C349-D352 PolarHBondContact O-N 3.42Å; E350-D352 VanDerWaalsContact C-N 3.33Å; E350-D352 PolarHBondContact O-N 3Å; D352-K355 PolarHBondContact O-N 3.36Å; D352-K355 IonicContact OD1-NZ 2.83Å; D352-N356 WeakPolarHBondContact O-CB 3.39Å; D352-N356 PolarHBondContact O-N 2.9Å; D352-N356 PolarHBondContact O-ND2 3.41Å; D352-N356 VanDerWaalsContact O-ND2 3.11Å |
| 353 | A | 85.2 | Confident | 86.9 | Confident | 51 Ų | 51 | 90.9 Ų | 90.9 | 42% | 0.421 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.4 | -46.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | C349 E350 N356 T357 | C349-A353 WeakPolarHBondContact O-CB 3.44Å; C349-A353 PolarHBondContact O-N 3.19Å; E350-A353 PolarHBondContact O-N 3.19Å; A353-N356 PolarHBondContact O-N 3.32Å; A353-T357 WeakPolarHBondContact O-CG2 3.49Å; A353-T357 PolarHBondContact O-N 3.05Å |
| 354 | L | 79.1 | Confident | 86.9 | Confident | 104 Ų | 104 | 90.1 Ų | 90.1 | 55% | 0.545 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.1 | -36.1 | 177.8 | -71.2 | 174.3 | 0 | 0 | 0 | 112.7 | E350 I351 T357 N358 | E350-L354 HydrophobicContact CG-CD1 4.24Å; E350-L354 WeakPolarHBondContact O-CB 3.39Å; E350-L354 WeakPolarHBondContact O-CG 3.35Å; E350-L354 PolarHBondContact O-N 3Å; I351-L354 PolarHBondContact O-N 3.31Å; L354-T357 WeakPolarHBondContact CA-OG1 3.26Å; L354-T357 PolarHBondContact O-N 3.05Å; L354-T357 PolarHBondContact O-OG1 3.03Å; L354-N358 VanDerWaalsContact O-CB 3.32Å; L354-N358 WeakPolarHBondContact O-CB 3.43Å; L354-N358 PolarHBondContact O-N 3Å |
| 355 | K | 86.9 | Confident | 86.8 | Confident | 113 Ų | 113 | 90 Ų | 90 | 49% | 0.491 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.9 | -47.3 | 171.7 | -75.6 | 172.3 | -176.7 | 166.1 | 0 | 111.1 | I351 D352 T357 N358 E359 | I351-K355 HydrophobicContact CG2-CD 4.11Å; I351-K355 VanDerWaalsContact CG2-CE 3.47Å; I351-K355 HydrophobicContact CG2-CG 4.48Å; I351-K355 VanDerWaalsContact O-CG 3.31Å; I351-K355 WeakPolarHBondContact O-CG 2.95Å; I351-K355 PolarHBondContact O-N 3.12Å; D352-K355 PolarHBondContact O-N 3.36Å; D352-K355 IonicContact OD1-NZ 2.83Å; K355-T357 VanDerWaalsContact C-N 3.34Å; K355-T357 PolarHBondContact O-N 3.41Å; K355-N358 PolarHBondContact O-N 2.91Å; K355-E359 WeakPolarHBondContact O-CG 3.32Å; K355-E359 PolarHBondContact O-N 2.76Å |
| 356 | N | 86.9 | Confident | 86.9 | Confident | 102 Ų | 102 | 91.4 Ų | 91.4 | 55% | 0.545 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 178.6 | -70.9 | -30 | 0 | 0 | 0 | 112 | D352 A353 A360 | D352-N356 WeakPolarHBondContact O-CB 3.39Å; D352-N356 PolarHBondContact O-N 2.9Å; D352-N356 PolarHBondContact O-ND2 3.41Å; D352-N356 VanDerWaalsContact O-ND2 3.11Å; A353-N356 PolarHBondContact O-N 3.32Å; N356-A360 WeakPolarHBondContact O-CB 3.31Å; N356-A360 PolarHBondContact O-N 3.27Å |
| 357 | T | 85.7 | Confident | 87.2 | Confident | 77 Ų | 77 | 93 Ų | 93 | 47% | 0.472 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.8 | -39.4 | 175.6 | 62.3 | 0 | 0 | 0 | 0 | 112 | A353 L354 K355 A360 L361 | A353-T357 WeakPolarHBondContact O-CG2 3.49Å; A353-T357 PolarHBondContact O-N 3.05Å; L354-T357 WeakPolarHBondContact CA-OG1 3.26Å; L354-T357 PolarHBondContact O-N 3.05Å; L354-T357 PolarHBondContact O-OG1 3.03Å; K355-T357 VanDerWaalsContact C-N 3.34Å; K355-T357 PolarHBondContact O-N 3.41Å; T357-A360 WeakPolarHBondContact O-CB 3.4Å; T357-A360 PolarHBondContact O-N 2.9Å; T357-L361 WeakPolarHBondContact O-CG 3.39Å; T357-L361 PolarHBondContact O-N 3.12Å |
| 358 | N | 81.3 | Confident | 87.3 | Confident | 90 Ų | 90 | 92.8 Ų | 92.8 | 48% | 0.481 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.3 | -47.4 | 175.3 | -168.2 | -71.4 | 0 | 0 | 0 | 111.5 | L354 K355 A360 L361 L362 | L354-N358 VanDerWaalsContact O-CB 3.32Å; L354-N358 WeakPolarHBondContact O-CB 3.43Å; L354-N358 PolarHBondContact O-N 3Å; K355-N358 PolarHBondContact O-N 2.91Å; N358-A360 VanDerWaalsContact C-N 3.29Å; N358-A360 PolarHBondContact O-N 3.4Å; N358-L361 PolarHBondContact O-N 3.34Å; N358-L362 WeakPolarHBondContact O-CG 3.4Å; N358-L362 PolarHBondContact O-N 3.11Å; N358-L362 VanDerWaalsContact OD1-CD1 3.25Å; N358-L362 WeakPolarHBondContact OD1-CD1 3.1Å |
| 359 | E | 90.1 | Very high | 87.6 | Confident | 104 Ų | 104 | 94.2 Ų | 94.2 | 49% | 0.486 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.9 | -38.7 | 175.1 | -74.5 | -176.1 | -169.8 | 0 | 0 | 112.5 | K355 R363 | K355-E359 WeakPolarHBondContact O-CG 3.32Å; K355-E359 PolarHBondContact O-N 2.76Å; E359-R363 WeakPolarHBondContact O-CB 3.24Å; E359-R363 PolarHBondContact O-N 3.13Å; E359-R363 PolarHBondContact O-NH1 3.37Å; E359-R363 VanDerWaalsContact O-NH1 3.1Å |
| 360 | A | 88.3 | Confident | 87.8 | Confident | 49 Ų | 49 | 95.4 Ų | 95.4 | 41% | 0.405 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.4 | -46.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N356 T357 N358 R363 Q364 | N356-A360 WeakPolarHBondContact O-CB 3.31Å; N356-A360 PolarHBondContact O-N 3.27Å; T357-A360 WeakPolarHBondContact O-CB 3.4Å; T357-A360 PolarHBondContact O-N 2.9Å; N358-A360 VanDerWaalsContact C-N 3.29Å; N358-A360 PolarHBondContact O-N 3.4Å; A360-R363 PolarHBondContact O-N 3Å; A360-Q364 PolarHBondContact O-N 2.99Å |
| 361 | L | 84.8 | Confident | 88.2 | Confident | 107 Ų | 107 | 95.1 Ų | 95.1 | 56% | 0.56 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.3 | -42.8 | 177.5 | -70.2 | 171.9 | 0 | 0 | 0 | 112.1 | T357 N358 R363 Q364 M365 | T357-L361 WeakPolarHBondContact O-CG 3.39Å; T357-L361 PolarHBondContact O-N 3.12Å; N358-L361 PolarHBondContact O-N 3.34Å; L361-R363 VanDerWaalsContact C-N 3.26Å; L361-R363 PolarHBondContact O-N 3.37Å; L361-Q364 PolarHBondContact O-N 2.85Å; L361-M365 WeakPolarHBondContact O-CB 3.31Å; L361-M365 PolarHBondContact O-N 2.87Å |
| 362 | L | 88.1 | Confident | 88.6 | Confident | 75 Ų | 75 | 96.6 Ų | 96.6 | 39% | 0.393 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.2 | -30.8 | 176.1 | -73.1 | 176.6 | 0 | 0 | 0 | 112.8 | N358 M365 R366 | N358-L362 WeakPolarHBondContact O-CG 3.4Å; N358-L362 PolarHBondContact O-N 3.11Å; N358-L362 VanDerWaalsContact OD1-CD1 3.25Å; N358-L362 WeakPolarHBondContact OD1-CD1 3.1Å; L362-M365 HydrophobicContact CD2-CE 4.07Å; L362-R366 WeakPolarHBondContact O-CG 3.44Å; L362-R366 PolarHBondContact O-N 3.18Å; L362-R366 PolarHBondContact O-NE 2.92Å; L362-R366 VanDerWaalsContact O-NE 3.1Å |
| 363 | R | 91.2 | Very high | 88.9 | Confident | 115 Ų | 115 | 94.8 Ų | 94.8 | 43% | 0.434 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -73.2 | -45.1 | 174.2 | -171.5 | -176.1 | -64.6 | 88 | 1.3 | 110.9 | E359 A360 L361 M365 R366 E367 | E359-R363 WeakPolarHBondContact O-CB 3.24Å; E359-R363 PolarHBondContact O-N 3.13Å; E359-R363 PolarHBondContact O-NH1 3.37Å; E359-R363 VanDerWaalsContact O-NH1 3.1Å; A360-R363 PolarHBondContact O-N 3Å; L361-R363 VanDerWaalsContact C-N 3.26Å; L361-R363 PolarHBondContact O-N 3.37Å; R363-M365 VanDerWaalsContact C-N 3.29Å; R363-M365 PolarHBondContact O-N 3.43Å; R363-R366 PolarHBondContact O-N 3.01Å; R363-E367 WeakPolarHBondContact CG-OE1 3.09Å; R363-E367 WeakPolarHBondContact O-CG 3.47Å; R363-E367 PolarHBondContact O-N 3.4Å |
| 364 | Q | 91.6 | Very high | 89.4 | Confident | 111 Ų | 111 | 96.6 Ų | 96.6 | 52% | 0.519 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60 | -40.2 | 175.8 | -173 | -178.8 | 6.3 | 0 | 0 | 111.9 | A360 L361 E367 M368 | A360-Q364 PolarHBondContact O-N 2.99Å; L361-Q364 PolarHBondContact O-N 2.85Å; Q364-E367 PolarHBondContact O-N 2.95Å; Q364-M368 WeakPolarHBondContact O-CB 3.29Å; Q364-M368 VanDerWaalsContact O-CG 3.24Å; Q364-M368 WeakPolarHBondContact O-CG 3.27Å; Q364-M368 PolarHBondContact O-N 3.35Å |
| 365 | M | 87 | Confident | 90.2 | Very high | 97 Ų | 97 | 95.8 Ų | 95.8 | 48% | 0.478 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 176.1 | -171.5 | 179 | 73.5 | 0 | 0 | 111.5 | L361 L362 R363 M368 E369 | L361-M365 WeakPolarHBondContact O-CB 3.31Å; L361-M365 PolarHBondContact O-N 2.87Å; L362-M365 HydrophobicContact CD2-CE 4.07Å; R363-M365 VanDerWaalsContact C-N 3.29Å; R363-M365 PolarHBondContact O-N 3.43Å; M365-M368 WeakPolarHBondContact O-CB 3.21Å; M365-M368 PolarHBondContact O-N 3.34Å; M365-E369 WeakPolarHBondContact O-CG 2.91Å; M365-E369 PolarHBondContact O-N 3.07Å |
| 366 | R | 91.4 | Very high | 90.7 | Very high | 138 Ų | 138 | 94.9 Ų | 94.9 | 52% | 0.521 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 175 | -79 | -179.9 | -84.8 | 171.6 | -11 | 112.5 | L362 R363 M368 E369 D370 | L362-R366 WeakPolarHBondContact O-CG 3.44Å; L362-R366 PolarHBondContact O-N 3.18Å; L362-R366 PolarHBondContact O-NE 2.92Å; L362-R366 VanDerWaalsContact O-NE 3.1Å; R363-R366 PolarHBondContact O-N 3.01Å; R366-M368 VanDerWaalsContact C-N 3.29Å; R366-M368 PolarHBondContact O-N 3.21Å; R366-E369 PolarHBondContact O-N 3.31Å; R366-D370 WeakPolarHBondContact O-CB 3.46Å; R366-D370 PolarHBondContact O-N 2.91Å |
| 367 | E | 94.4 | Very high | 91.1 | Very high | 95 Ų | 95 | 91.1 Ų | 91.1 | 44% | 0.444 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61 | -38.2 | 175.9 | -72.5 | 169 | -168.3 | 0 | 0 | 112 | R363 Q364 Q371 | R363-E367 WeakPolarHBondContact CG-OE1 3.09Å; R363-E367 WeakPolarHBondContact O-CG 3.47Å; R363-E367 PolarHBondContact O-N 3.4Å; Q364-E367 PolarHBondContact O-N 2.95Å; E367-Q371 WeakPolarHBondContact O-CB 3.37Å; E367-Q371 WeakPolarHBondContact O-CG 3.22Å; E367-Q371 PolarHBondContact O-N 3.3Å; E367-Q371 PolarHBondContact O-NE2 3.47Å |
| 368 | M | 87.9 | Confident | 91.7 | Very high | 80 Ų | 80 | 92 Ų | 92 | 39% | 0.394 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.4 | -43.1 | 174.4 | -72.3 | -76.5 | -58.6 | 0 | 0 | 112 | Q364 M365 R366 Q371 F372 | Q364-M368 WeakPolarHBondContact O-CB 3.29Å; Q364-M368 VanDerWaalsContact O-CG 3.24Å; Q364-M368 WeakPolarHBondContact O-CG 3.27Å; Q364-M368 PolarHBondContact O-N 3.35Å; M365-M368 WeakPolarHBondContact O-CB 3.21Å; M365-M368 PolarHBondContact O-N 3.34Å; R366-M368 VanDerWaalsContact C-N 3.29Å; R366-M368 PolarHBondContact O-N 3.21Å; M368-Q371 PolarHBondContact O-N 2.93Å; M368-F372 HydrophobicContact CE-CE2 3.73Å; M368-F372 HydrophobicContact CE-CZ 3.84Å; M368-F372 WeakPolarHBondContact O-CD2 3.41Å; M368-F372 WeakPolarHBondContact O-CG 3.43Å; M368-F372 PolarHBondContact O-N 3.05Å |
| 369 | E | 90.3 | Very high | 92.4 | Very high | 112 Ų | 112 | 95.3 Ų | 95.3 | 52% | 0.523 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 175 | -73.3 | 170.2 | 166.1 | 0 | 0 | 111.3 | M365 R366 F372 G373 | M365-E369 WeakPolarHBondContact O-CG 2.91Å; M365-E369 PolarHBondContact O-N 3.07Å; R366-E369 PolarHBondContact O-N 3.31Å; E369-F372 PolarHBondContact O-N 2.91Å; E369-G373 PolarHBondContact O-N 2.87Å |
| 370 | D | 93.5 | Very high | 92.8 | Very high | 115 Ų | 115 | 96.5 Ų | 96.5 | 62% | 0.615 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.7 | -43.6 | 176.1 | -73.6 | -20.5 | 0 | 0 | 0 | 111.4 | R366 G373 V374 | R366-D370 WeakPolarHBondContact O-CB 3.46Å; R366-D370 PolarHBondContact O-N 2.91Å; D370-G373 PolarHBondContact O-N 3.4Å; D370-V374 WeakPolarHBondContact O-CG2 3.3Å; D370-V374 PolarHBondContact O-N 2.94Å |
| 371 | Q | 96.7 | Very high | 93.3 | Very high | 106 Ų | 106 | 99.9 Ų | 99.9 | 50% | 0.495 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.4 | -47.6 | 175.3 | -77.5 | 168 | 38.8 | 0 | 0 | 111.5 | E367 M368 G373 V374 E375 | E367-Q371 WeakPolarHBondContact O-CB 3.37Å; E367-Q371 WeakPolarHBondContact O-CG 3.22Å; E367-Q371 PolarHBondContact O-N 3.3Å; E367-Q371 PolarHBondContact O-NE2 3.47Å; M368-Q371 PolarHBondContact O-N 2.93Å; Q371-G373 VanDerWaalsContact C-N 3.32Å; Q371-G373 PolarHBondContact O-N 3.09Å; Q371-V374 PolarHBondContact O-N 2.95Å; Q371-E375 WeakPolarHBondContact O-CG 3.47Å; Q371-E375 PolarHBondContact O-N 3.43Å |
| 372 | F | 93.1 | Very high | 93.9 | Very high | 106 Ų | 106 | 98.3 Ų | 98.3 | 47% | 0.465 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.3 | -37.2 | 175.4 | -72.5 | -47.9 | 0 | 0 | 0 | 112.3 | M368 E369 V374 E375 I376 | M368-F372 HydrophobicContact CE-CE2 3.73Å; M368-F372 HydrophobicContact CE-CZ 3.84Å; M368-F372 WeakPolarHBondContact O-CD2 3.41Å; M368-F372 WeakPolarHBondContact O-CG 3.43Å; M368-F372 PolarHBondContact O-N 3.05Å; E369-F372 PolarHBondContact O-N 2.91Å; F372-V374 VanDerWaalsContact C-N 3.31Å; F372-V374 PolarHBondContact O-N 2.96Å; F372-E375 PolarHBondContact O-N 3.26Å; F372-I376 WeakPolarHBondContact O-CB 3.44Å; F372-I376 WeakPolarHBondContact O-CD1 3.25Å; F372-I376 WeakPolarHBondContact O-CG1 3.4Å; F372-I376 PolarHBondContact O-N 2.66Å |
| 373 | G | 93.7 | Very high | 94.4 | Very high | 44 Ų | 44 | 98.3 Ų | 98.3 | 45% | 0.454 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.5 | -44.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | E369 D370 Q371 G377 | E369-G373 PolarHBondContact O-N 2.87Å; D370-G373 PolarHBondContact O-N 3.4Å; Q371-G373 VanDerWaalsContact C-N 3.32Å; Q371-G373 PolarHBondContact O-N 3.09Å; G373-G377 PolarHBondContact O-N 3.4Å |
| 374 | V | 95.5 | Very high | 94.7 | Very high | 88 Ų | 88 | 94 Ų | 94 | 53% | 0.533 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.7 | -44.5 | 175.4 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | D370 Q371 F372 I376 G377 N378 | D370-V374 WeakPolarHBondContact O-CG2 3.3Å; D370-V374 PolarHBondContact O-N 2.94Å; Q371-V374 PolarHBondContact O-N 2.95Å; F372-V374 VanDerWaalsContact C-N 3.31Å; F372-V374 PolarHBondContact O-N 2.96Å; V374-I376 PolarHBondContact O-N 3.48Å; V374-G377 PolarHBondContact O-N 2.85Å; V374-N378 VanDerWaalsContact O-CG 3.23Å; V374-N378 PolarHBondContact O-N 3.08Å; V374-N378 PolarHBondContact O-ND2 3.33Å |
| 375 | E | 96.6 | Very high | 95 | Very high | 88 Ų | 88 | 94.8 Ų | 94.8 | 41% | 0.411 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 177.3 | -73.5 | 179.8 | -178.6 | 0 | 0 | 112.1 | Q371 F372 G377 N378 Y379 | Q371-E375 WeakPolarHBondContact O-CG 3.47Å; Q371-E375 PolarHBondContact O-N 3.43Å; F372-E375 PolarHBondContact O-N 3.26Å; E375-G377 VanDerWaalsContact C-N 3.33Å; E375-G377 PolarHBondContact O-N 3.06Å; E375-N378 WeakPolarHBondContact O-CB 3.12Å; E375-N378 PolarHBondContact O-N 2.82Å; E375-Y379 HydrophobicContact CB-CE2 4.3Å; E375-Y379 WeakPolarHBondContact O-CD2 3.35Å; E375-Y379 PolarHBondContact O-N 3.27Å |
| 376 | I | 96.3 | Very high | 95.5 | Very high | 94 Ų | 94 | 93.6 Ų | 93.6 | 48% | 0.482 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 174.7 | -69.4 | 165.3 | 0 | 0 | 0 | 110.4 | F372 V374 N378 Y379 Q380 | F372-I376 WeakPolarHBondContact O-CB 3.44Å; F372-I376 WeakPolarHBondContact O-CD1 3.25Å; F372-I376 WeakPolarHBondContact O-CG1 3.4Å; F372-I376 PolarHBondContact O-N 2.66Å; V374-I376 PolarHBondContact O-N 3.48Å; I376-N378 PolarHBondContact O-N 3.46Å; I376-Y379 PolarHBondContact O-N 3.48Å; I376-Q380 HydrophobicContact CG2-CG 4.47Å; I376-Q380 WeakPolarHBondContact O-CG 3.33Å; I376-Q380 PolarHBondContact O-N 2.89Å |
| 377 | G | 96.7 | Very high | 95.8 | Very high | 22 Ų | 22 | 92.2 Ų | 92.2 | 23% | 0.227 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -56.6 | -47.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G373 V374 E375 Y379 Q380 D381 | G373-G377 PolarHBondContact O-N 3.4Å; V374-G377 PolarHBondContact O-N 2.85Å; E375-G377 VanDerWaalsContact C-N 3.33Å; E375-G377 PolarHBondContact O-N 3.06Å; G377-Y379 VanDerWaalsContact C-N 3.32Å; G377-Y379 PolarHBondContact O-N 3.35Å; G377-Q380 WeakPolarHBondContact O-CB 3.32Å; G377-Q380 PolarHBondContact O-N 3.19Å; G377-Q380 VanDerWaalsContact O-N 3.15Å; G377-D381 PolarHBondContact O-N 3.47Å |
| 378 | N | 97.9 | Very high | 96 | Very high | 95 Ų | 95 | 91.6 Ų | 91.6 | 51% | 0.508 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.5 | -39.5 | 177.2 | -66.3 | -27.9 | 0 | 0 | 0 | 112.5 | V374 E375 I376 N382 | V374-N378 VanDerWaalsContact O-CG 3.23Å; V374-N378 PolarHBondContact O-N 3.08Å; V374-N378 PolarHBondContact O-ND2 3.33Å; E375-N378 WeakPolarHBondContact O-CB 3.12Å; E375-N378 PolarHBondContact O-N 2.82Å; I376-N378 PolarHBondContact O-N 3.46Å; N378-N382 WeakPolarHBondContact O-CB 3.42Å; N378-N382 PolarHBondContact O-N 3.32Å |
| 379 | Y | 96.4 | Very high | 96.5 | Very high | 160 Ų | 160 | 92.3 Ų | 92.3 | 63% | 0.627 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67 | -41.8 | 175.3 | -70.3 | -55.9 | 0 | 0 | 0 | 111.9 | E375 I376 G377 N382 V383 | E375-Y379 HydrophobicContact CB-CE2 4.3Å; E375-Y379 WeakPolarHBondContact O-CD2 3.35Å; E375-Y379 PolarHBondContact O-N 3.27Å; I376-Y379 PolarHBondContact O-N 3.48Å; G377-Y379 VanDerWaalsContact C-N 3.32Å; G377-Y379 PolarHBondContact O-N 3.35Å; Y379-N382 PolarHBondContact O-N 2.92Å; Y379-V383 VanDerWaalsContact O-CG2 3.3Å; Y379-V383 WeakPolarHBondContact O-CG2 3.4Å; Y379-V383 PolarHBondContact O-N 2.59Å |
| 380 | Q | 97.6 | Very high | 96.9 | Very high | 130 Ų | 130 | 91.2 Ų | 91.2 | 61% | 0.607 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.6 | -44.4 | 175.3 | -72.9 | 177.9 | -1.6 | 0 | 0 | 111.5 | I376 G377 N382 V383 G384 | I376-Q380 HydrophobicContact CG2-CG 4.47Å; I376-Q380 WeakPolarHBondContact O-CG 3.33Å; I376-Q380 PolarHBondContact O-N 2.89Å; G377-Q380 WeakPolarHBondContact O-CB 3.32Å; G377-Q380 PolarHBondContact O-N 3.19Å; G377-Q380 VanDerWaalsContact O-N 3.15Å; Q380-N382 PolarHBondContact O-N 3.43Å; Q380-V383 PolarHBondContact O-N 3.18Å; Q380-G384 PolarHBondContact O-N 2.92Å |
| 381 | D | 98 | Very high | 97.1 | Very high | 120 Ų | 120 | 92.1 Ų | 92.1 | 64% | 0.642 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61.8 | -42.6 | 176.3 | -73.4 | -14.8 | 0 | 0 | 0 | 111.7 | G377 G384 R385 | G377-D381 PolarHBondContact O-N 3.47Å; D381-G384 PolarHBondContact O-N 2.66Å; D381-R385 WeakPolarHBondContact O-CB 3.33Å; D381-R385 PolarHBondContact O-N 2.92Å |
| 382 | N | 98.3 | Very high | 97.2 | Very high | 74 Ų | 74 | 91.9 Ų | 91.9 | 40% | 0.396 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.2 | -38.7 | 176.6 | -179.8 | 65.6 | 0 | 0 | 0 | 112.3 | N378 Y379 Q380 R385 L386 | N378-N382 WeakPolarHBondContact O-CB 3.42Å; N378-N382 PolarHBondContact O-N 3.32Å; Y379-N382 PolarHBondContact O-N 2.92Å; Q380-N382 PolarHBondContact O-N 3.43Å; N382-R385 PolarHBondContact O-N 3.06Å; N382-L386 WeakPolarHBondContact O-CG 3.36Å; N382-L386 PolarHBondContact O-N 3.47Å |
| 383 | V | 97.7 | Very high | 97.4 | Very high | 74 Ų | 74 | 91.4 Ų | 91.4 | 45% | 0.448 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.9 | -49.3 | 172.5 | 169.2 | 0 | 0 | 0 | 0 | 110 | Y379 Q380 R385 L386 E387 | Y379-V383 VanDerWaalsContact O-CG2 3.3Å; Y379-V383 WeakPolarHBondContact O-CG2 3.4Å; Y379-V383 PolarHBondContact O-N 2.59Å; Q380-V383 PolarHBondContact O-N 3.18Å; V383-R385 VanDerWaalsContact C-N 3.33Å; V383-R385 PolarHBondContact O-N 3.16Å; V383-L386 PolarHBondContact O-N 3.41Å; V383-L386 VanDerWaalsContact O-N 3.13Å; V383-E387 HydrophobicContact CG1-CG 4.33Å; V383-E387 WeakPolarHBondContact O-CG 3.42Å; V383-E387 PolarHBondContact O-N 3.27Å |
| 384 | G | 97.8 | Very high | 97.7 | Very high | 24 Ų | 24 | 95.4 Ų | 95.4 | 25% | 0.247 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -56.9 | -44.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q380 D381 L386 E387 D388 | Q380-G384 PolarHBondContact O-N 2.92Å; D381-G384 PolarHBondContact O-N 2.66Å; G384-L386 PolarHBondContact O-N 2.93Å; G384-E387 PolarHBondContact O-N 2.98Å; G384-D388 PolarHBondContact O-N 3.41Å |
| 385 | R | 98.4 | Very high | 97.8 | Very high | 129 Ų | 129 | 97.2 Ų | 97.2 | 49% | 0.487 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 176.1 | -167.7 | -167.3 | 67.2 | 70.1 | 3 | 112.5 | D381 N382 V383 D388 E389 | D381-R385 WeakPolarHBondContact O-CB 3.33Å; D381-R385 PolarHBondContact O-N 2.92Å; N382-R385 PolarHBondContact O-N 3.06Å; V383-R385 VanDerWaalsContact C-N 3.33Å; V383-R385 PolarHBondContact O-N 3.16Å; R385-D388 PolarHBondContact O-N 3.28Å; R385-E389 IonicContact CZ-OE2 3.05Å; R385-E389 IonicContact NH1-OE2 3.34Å; R385-E389 PolarHBondContact NH1-OE2 3.07Å; R385-E389 WeakPolarHBondContact O-CB 3.33Å; R385-E389 PolarHBondContact O-N 3.46Å |
| 386 | L | 98 | Very high | 97.9 | Very high | 71 Ų | 71 | 97.1 Ų | 97.1 | 37% | 0.372 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.8 | -37.4 | 177.4 | -71.7 | 172 | 0 | 0 | 0 | 111.7 | N382 V383 G384 E389 I390 | N382-L386 WeakPolarHBondContact O-CG 3.36Å; N382-L386 PolarHBondContact O-N 3.47Å; V383-L386 PolarHBondContact O-N 3.41Å; V383-L386 VanDerWaalsContact O-N 3.13Å; G384-L386 PolarHBondContact O-N 2.93Å; L386-E389 PolarHBondContact O-N 3.09Å; L386-I390 VanDerWaalsContact O-CG1 3.26Å; L386-I390 WeakPolarHBondContact O-CG1 3.34Å; L386-I390 PolarHBondContact O-N 3.26Å |
| 387 | E | 98.1 | Very high | 97.9 | Very high | 109 Ų | 109 | 98.1 Ų | 98.1 | 51% | 0.509 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | 174.2 | -71.8 | 179.8 | 165.5 | 0 | 0 | 112.3 | V383 G384 I390 R391 | V383-E387 HydrophobicContact CG1-CG 4.33Å; V383-E387 WeakPolarHBondContact O-CG 3.42Å; V383-E387 PolarHBondContact O-N 3.27Å; G384-E387 PolarHBondContact O-N 2.98Å; E387-I390 PolarHBondContact O-N 3.11Å; E387-R391 WeakPolarHBondContact O-CG 3.34Å; E387-R391 PolarHBondContact O-N 3Å |
| 388 | D | 98.2 | Very high | 98 | Very high | 83 Ų | 83 | 99 Ų | 99 | 44% | 0.444 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.3 | -46.2 | 171.8 | -79.4 | -35.2 | 0 | 0 | 0 | 111.4 | G384 R385 I390 R391 H392 | G384-D388 PolarHBondContact O-N 3.41Å; R385-D388 PolarHBondContact O-N 3.28Å; D388-I390 VanDerWaalsContact C-N 3.34Å; D388-I390 PolarHBondContact O-N 2.98Å; D388-R391 WeakPolarHBondContact O-CB 3.21Å; D388-R391 PolarHBondContact O-N 3.15Å; D388-R391 VanDerWaalsContact O-N 3.16Å; D388-R391 IonicContact OD1-CZ 2.71Å; D388-R391 IonicContact OD1-NE 2.79Å; D388-R391 IonicContact OD1-NH1 2.8Å; D388-R391 PolarHBondContact OD1-NH1 2.92Å; D388-R391 IonicContact OD1-NH2 3.11Å; D388-R391 PolarHBondContact OD1-NH2 3.4Å; D388-H392 WeakPolarHBondContact O-CB 3.3Å; D388-H392 PolarHBondContact O-N 3.48Å |
| 389 | E | 98.4 | Very high | 98 | Very high | 94 Ų | 94 | 101.1 Ų | 101.1 | 44% | 0.439 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 178 | -170.8 | 170.3 | -178.5 | 0 | 0 | 111.4 | R385 L386 H392 L393 | R385-E389 IonicContact CZ-OE2 3.05Å; R385-E389 IonicContact NH1-OE2 3.34Å; R385-E389 PolarHBondContact NH1-OE2 3.07Å; R385-E389 WeakPolarHBondContact O-CB 3.33Å; R385-E389 PolarHBondContact O-N 3.46Å; L386-E389 PolarHBondContact O-N 3.09Å; E389-H392 PolarHBondContact O-N 3.22Å; E389-L393 HydrophobicContact CG-CD1 4.48Å; E389-L393 WeakPolarHBondContact O-CG 3.11Å; E389-L393 PolarHBondContact O-N 2.9Å |
| 390 | I | 98.2 | Very high | 98.1 | Very high | 89 Ų | 89 | 97.7 Ų | 97.7 | 46% | 0.456 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 173.8 | -70.8 | 165.8 | 0 | 0 | 0 | 111.2 | L386 E387 D388 K394 | L386-I390 VanDerWaalsContact O-CG1 3.26Å; L386-I390 WeakPolarHBondContact O-CG1 3.34Å; L386-I390 PolarHBondContact O-N 3.26Å; E387-I390 PolarHBondContact O-N 3.11Å; D388-I390 VanDerWaalsContact C-N 3.34Å; D388-I390 PolarHBondContact O-N 2.98Å; I390-K394 HydrophobicContact CG2-CD 4.12Å; I390-K394 WeakPolarHBondContact O-CB 3.41Å; I390-K394 VanDerWaalsContact O-CG 3.28Å; I390-K394 WeakPolarHBondContact O-CG 3.48Å; I390-K394 PolarHBondContact O-N 2.87Å |
| 391 | R | 98.2 | Very high | 98.1 | Very high | 135 Ų | 135 | 97 Ų | 97 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.5 | -46 | 176.9 | -81.9 | -173 | -81.1 | 141.9 | -13.3 | 111.1 | E387 D388 L393 K394 E395 | E387-R391 WeakPolarHBondContact O-CG 3.34Å; E387-R391 PolarHBondContact O-N 3Å; D388-R391 WeakPolarHBondContact O-CB 3.21Å; D388-R391 PolarHBondContact O-N 3.15Å; D388-R391 VanDerWaalsContact O-N 3.16Å; D388-R391 IonicContact OD1-CZ 2.71Å; D388-R391 IonicContact OD1-NE 2.79Å; D388-R391 IonicContact OD1-NH1 2.8Å; D388-R391 PolarHBondContact OD1-NH1 2.92Å; D388-R391 IonicContact OD1-NH2 3.11Å; D388-R391 PolarHBondContact OD1-NH2 3.4Å; R391-L393 PolarHBondContact O-N 2.82Å; R391-K394 WeakPolarHBondContact O-CB 3.32Å; R391-K394 PolarHBondContact O-N 2.77Å; R391-E395 WeakPolarHBondContact O-CG 3.5Å; R391-E395 PolarHBondContact O-N 3.28Å |
| 392 | H | 98.3 | Very high | 98.1 | Very high | 100 Ų | 100 | 98.5 Ų | 98.5 | 46% | 0.463 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.3 | -50 | 177.8 | -176.6 | 55.7 | 0 | 0 | 0 | 112 | D388 E389 K394 E395 E396 | D388-H392 WeakPolarHBondContact O-CB 3.3Å; D388-H392 PolarHBondContact O-N 3.48Å; E389-H392 PolarHBondContact O-N 3.22Å; H392-K394 VanDerWaalsContact C-N 3.3Å; H392-K394 PolarHBondContact O-N 2.92Å; H392-E395 WeakPolarHBondContact O-CB 3.37Å; H392-E395 PolarHBondContact O-N 3.24Å; H392-E395 VanDerWaalsContact O-N 3.1Å; H392-E396 IonicContact NE2-OE1 3.65Å; H392-E396 PolarHBondContact O-N 3Å |
| 393 | L | 98.1 | Very high | 98.1 | Very high | 97 Ų | 97 | 98.6 Ų | 98.6 | 51% | 0.508 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.6 | -35.1 | 178.2 | -70.7 | 172.7 | 0 | 0 | 0 | 112.8 | E389 R391 M397 | E389-L393 HydrophobicContact CG-CD1 4.48Å; E389-L393 WeakPolarHBondContact O-CG 3.11Å; E389-L393 PolarHBondContact O-N 2.9Å; R391-L393 PolarHBondContact O-N 2.82Å; L393-M397 WeakPolarHBondContact O-CB 3.46Å; L393-M397 PolarHBondContact O-N 2.75Å |
| 394 | K | 98.3 | Very high | 98.1 | Very high | 127 Ų | 127 | 103 Ų | 103 | 55% | 0.552 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.9 | -41.3 | 173.7 | -76.7 | 173 | 179.3 | 176 | 0 | 111.8 | I390 R391 H392 M397 A398 | I390-K394 HydrophobicContact CG2-CD 4.12Å; I390-K394 WeakPolarHBondContact O-CB 3.41Å; I390-K394 VanDerWaalsContact O-CG 3.28Å; I390-K394 WeakPolarHBondContact O-CG 3.48Å; I390-K394 PolarHBondContact O-N 2.87Å; R391-K394 WeakPolarHBondContact O-CB 3.32Å; R391-K394 PolarHBondContact O-N 2.77Å; H392-K394 VanDerWaalsContact C-N 3.3Å; H392-K394 PolarHBondContact O-N 2.92Å; K394-M397 PolarHBondContact O-N 2.92Å; K394-A398 WeakPolarHBondContact O-CB 3.35Å; K394-A398 PolarHBondContact O-N 3.37Å |
| 395 | E | 98.2 | Very high | 98.1 | Very high | 127 Ų | 127 | 106.6 Ų | 106.6 | 59% | 0.593 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.7 | -43.3 | 176.5 | -71.8 | 172.8 | -172.5 | 0 | 0 | 111.8 | R391 H392 A398 R399 | R391-E395 WeakPolarHBondContact O-CG 3.5Å; R391-E395 PolarHBondContact O-N 3.28Å; H392-E395 WeakPolarHBondContact O-CB 3.37Å; H392-E395 PolarHBondContact O-N 3.24Å; H392-E395 VanDerWaalsContact O-N 3.1Å; E395-A398 PolarHBondContact O-N 2.92Å; E395-R399 WeakPolarHBondContact O-CB 3.33Å; E395-R399 PolarHBondContact O-N 2.97Å |
| 396 | E | 98.3 | Very high | 98 | Very high | 86 Ų | 86 | 105.1 Ų | 105.1 | 40% | 0.402 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 174.3 | -71.4 | -162.6 | 126.6 | 0 | 0 | 111.8 | H392 A398 R399 H400 | H392-E396 IonicContact NE2-OE1 3.65Å; H392-E396 PolarHBondContact O-N 3Å; E396-A398 VanDerWaalsContact C-N 3.33Å; E396-A398 PolarHBondContact O-N 3.12Å; E396-R399 WeakPolarHBondContact O-CB 3.44Å; E396-R399 PolarHBondContact O-N 3.4Å; E396-R399 VanDerWaalsContact O-N 3.09Å; E396-H400 PolarHBondContact O-N 3.2Å |
| 397 | M | 97.9 | Very high | 98 | Very high | 115 Ų | 115 | 107.2 Ų | 107.2 | 57% | 0.567 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.3 | -44.2 | 175.3 | -179.2 | 170.7 | 59.9 | 0 | 0 | 111.7 | L393 K394 R399 H400 L401 | L393-M397 WeakPolarHBondContact O-CB 3.46Å; L393-M397 PolarHBondContact O-N 2.75Å; K394-M397 PolarHBondContact O-N 2.92Å; M397-R399 VanDerWaalsContact C-N 3.28Å; M397-R399 PolarHBondContact O-N 2.82Å; M397-H400 PolarHBondContact O-N 3.48Å; M397-L401 HydrophobicContact CG-CD1 4.44Å; M397-L401 WeakPolarHBondContact O-CG 3.46Å; M397-L401 PolarHBondContact O-N 2.85Å |
| 398 | A | 97.8 | Very high | 98 | Very high | 41 Ų | 41 | 106.1 Ų | 106.1 | 34% | 0.339 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.3 | -33 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K394 E395 E396 R402 | K394-A398 WeakPolarHBondContact O-CB 3.35Å; K394-A398 PolarHBondContact O-N 3.37Å; E395-A398 PolarHBondContact O-N 2.92Å; E396-A398 VanDerWaalsContact C-N 3.33Å; E396-A398 PolarHBondContact O-N 3.12Å; A398-R402 PolarHBondContact O-N 3.3Å; A398-R402 PolarHBondContact O-NE 3.48Å |
| 399 | R | 98.3 | Very high | 97.9 | Very high | 138 Ų | 138 | 105.8 Ų | 105.8 | 52% | 0.521 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67 | -48.8 | 174.4 | -165 | -170.4 | 112.1 | 157 | 4.9 | 111.2 | E395 E396 M397 L401 R402 E403 | E395-R399 WeakPolarHBondContact O-CB 3.33Å; E395-R399 PolarHBondContact O-N 2.97Å; E396-R399 WeakPolarHBondContact O-CB 3.44Å; E396-R399 PolarHBondContact O-N 3.4Å; E396-R399 VanDerWaalsContact O-N 3.09Å; M397-R399 VanDerWaalsContact C-N 3.28Å; M397-R399 PolarHBondContact O-N 2.82Å; R399-L401 VanDerWaalsContact C-N 3.33Å; R399-L401 PolarHBondContact O-N 3.37Å; R399-R402 WeakPolarHBondContact O-CB 3.46Å; R399-R402 PolarHBondContact O-N 3.17Å; R399-R402 VanDerWaalsContact O-N 3.12Å; R399-E403 IonicContact CZ-OE1 3.72Å; R399-E403 IonicContact NE-OE1 3.48Å; R399-E403 PolarHBondContact NE-OE1 2.91Å; R399-E403 IonicContact NH2-OE1 3.34Å; R399-E403 PolarHBondContact NH2-OE1 3.38Å; R399-E403 WeakPolarHBondContact O-CG 3.36Å; R399-E403 PolarHBondContact O-N 2.81Å |
| 400 | H | 97.8 | Very high | 97.9 | Very high | 89 Ų | 89 | 105.2 Ų | 105.2 | 41% | 0.412 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 176.9 | -72.7 | -37.3 | 0 | 0 | 0 | 112 | E396 M397 R402 E403 Y404 | E396-H400 PolarHBondContact O-N 3.2Å; M397-H400 PolarHBondContact O-N 3.48Å; H400-R402 VanDerWaalsContact C-N 3.27Å; H400-R402 PolarHBondContact O-N 3.48Å; H400-E403 IonicContact CE1-OE2 2.76Å; H400-E403 IonicContact ND1-OE2 2.59Å; H400-E403 PolarHBondContact ND1-OE2 3.31Å; H400-E403 PolarHBondContact O-N 3.17Å; H400-E403 VanDerWaalsContact O-N 3.16Å; H400-Y404 HydrophobicContact CB-CD2 4.35Å; H400-Y404 HydrophobicContact CB-CE2 4.23Å; H400-Y404 WeakPolarHBondContact O-CD2 3.29Å; H400-Y404 PolarHBondContact O-N 2.88Å |
| 401 | L | 98 | Very high | 97.9 | Very high | 115 Ų | 115 | 106.1 Ų | 106.1 | 60% | 0.602 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58 | -38.9 | 175.6 | -74.6 | 171.5 | 0 | 0 | 0 | 112.6 | M397 R399 Q405 | M397-L401 HydrophobicContact CG-CD1 4.44Å; M397-L401 WeakPolarHBondContact O-CG 3.46Å; M397-L401 PolarHBondContact O-N 2.85Å; R399-L401 VanDerWaalsContact C-N 3.33Å; R399-L401 PolarHBondContact O-N 3.37Å; L401-Q405 PolarHBondContact O-N 3.08Å |
| 402 | R | 97.9 | Very high | 97.8 | Very high | 151 Ų | 151 | 104.5 Ų | 104.5 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.5 | -48 | 173.4 | -81 | -178.3 | -89.7 | 121.2 | -6.8 | 111.9 | A398 R399 H400 Y404 Q405 D406 | A398-R402 PolarHBondContact O-N 3.3Å; A398-R402 PolarHBondContact O-NE 3.48Å; R399-R402 WeakPolarHBondContact O-CB 3.46Å; R399-R402 PolarHBondContact O-N 3.17Å; R399-R402 VanDerWaalsContact O-N 3.12Å; H400-R402 VanDerWaalsContact C-N 3.27Å; H400-R402 PolarHBondContact O-N 3.48Å; R402-Y404 VanDerWaalsContact C-N 3.29Å; R402-Y404 PolarHBondContact O-N 3.47Å; R402-Q405 PolarHBondContact O-N 3.04Å; R402-Q405 VanDerWaalsContact O-N 3.12Å; R402-D406 PolarHBondContact O-N 2.91Å |
| 403 | E | 97.7 | Very high | 97.8 | Very high | 77 Ų | 77 | 102 Ų | 102 | 36% | 0.36 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.6 | -40.3 | 177.1 | -68.3 | 168.4 | 173.1 | 0 | 0 | 112.1 | R399 H400 D406 L407 | R399-E403 IonicContact CZ-OE1 3.72Å; R399-E403 IonicContact NE-OE1 3.48Å; R399-E403 PolarHBondContact NE-OE1 2.91Å; R399-E403 IonicContact NH2-OE1 3.34Å; R399-E403 PolarHBondContact NH2-OE1 3.38Å; R399-E403 WeakPolarHBondContact O-CG 3.36Å; R399-E403 PolarHBondContact O-N 2.81Å; H400-E403 IonicContact CE1-OE2 2.76Å; H400-E403 IonicContact ND1-OE2 2.59Å; H400-E403 PolarHBondContact ND1-OE2 3.31Å; H400-E403 PolarHBondContact O-N 3.17Å; H400-E403 VanDerWaalsContact O-N 3.16Å; E403-D406 PolarHBondContact O-N 3.12Å; E403-L407 WeakPolarHBondContact O-CB 3.44Å; E403-L407 PolarHBondContact O-N 3.29Å |
| 404 | Y | 97.9 | Very high | 97.8 | Very high | 165 Ų | 165 | 101.4 Ų | 101.4 | 65% | 0.647 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.1 | -42.4 | 174.7 | -80.9 | -65.5 | 0 | 0 | 0 | 112.3 | H400 R402 L407 L408 | H400-Y404 HydrophobicContact CB-CD2 4.35Å; H400-Y404 HydrophobicContact CB-CE2 4.23Å; H400-Y404 WeakPolarHBondContact O-CD2 3.29Å; H400-Y404 PolarHBondContact O-N 2.88Å; R402-Y404 VanDerWaalsContact C-N 3.29Å; R402-Y404 PolarHBondContact O-N 3.47Å; Y404-L407 PolarHBondContact O-N 3.45Å; Y404-L408 WeakPolarHBondContact O-CB 3.48Å; Y404-L408 PolarHBondContact O-N 2.86Å |
| 405 | Q | 97.7 | Very high | 97.7 | Very high | 100 Ų | 100 | 98.6 Ų | 98.6 | 47% | 0.467 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 176.4 | -174.6 | 61.6 | 50.8 | 0 | 0 | 111.4 | L401 R402 L408 N409 | L401-Q405 PolarHBondContact O-N 3.08Å; R402-Q405 PolarHBondContact O-N 3.04Å; R402-Q405 VanDerWaalsContact O-N 3.12Å; Q405-L408 WeakPolarHBondContact O-CB 3.27Å; Q405-L408 PolarHBondContact O-N 3.44Å; Q405-N409 PolarHBondContact NE2-OD1 3.4Å; Q405-N409 PolarHBondContact O-N 2.81Å; Q405-N409 PolarHBondContact O-ND2 3.13Å; Q405-N409 PolarHBondContact O-OD1 3.04Å |
| 406 | D | 97.6 | Very high | 97.6 | Very high | 99 Ų | 99 | 97.7 Ų | 97.7 | 53% | 0.529 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 177.1 | -69.6 | -22.8 | 0 | 0 | 0 | 111.4 | R402 E403 L408 N409 V410 | R402-D406 PolarHBondContact O-N 2.91Å; E403-D406 PolarHBondContact O-N 3.12Å; D406-L408 VanDerWaalsContact C-N 3.34Å; D406-L408 PolarHBondContact O-N 2.93Å; D406-N409 WeakPolarHBondContact O-CB 3.42Å; D406-N409 PolarHBondContact O-N 3.33Å; D406-V410 WeakPolarHBondContact O-CG2 3.48Å; D406-V410 PolarHBondContact O-N 2.81Å |
| 407 | L | 97.9 | Very high | 97.5 | Very high | 115 Ų | 115 | 98 Ų | 98 | 60% | 0.602 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.9 | -39.9 | 175.4 | -176.7 | 61.6 | 0 | 0 | 0 | 112 | E403 Y404 N409 V410 K411 | E403-L407 WeakPolarHBondContact O-CB 3.44Å; E403-L407 PolarHBondContact O-N 3.29Å; Y404-L407 PolarHBondContact O-N 3.45Å; L407-N409 VanDerWaalsContact C-N 3.33Å; L407-V410 PolarHBondContact O-N 3.41Å; L407-K411 WeakPolarHBondContact O-CB 3.24Å; L407-K411 PolarHBondContact O-N 3.45Å |
| 408 | L | 97.1 | Very high | 97.4 | Very high | 85 Ų | 85 | 96.3 Ų | 96.3 | 45% | 0.445 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 174.2 | 180 | 64.6 | 0 | 0 | 0 | 111 | Y404 Q405 D406 V410 K411 M412 | Y404-L408 WeakPolarHBondContact O-CB 3.48Å; Y404-L408 PolarHBondContact O-N 2.86Å; Q405-L408 WeakPolarHBondContact O-CB 3.27Å; Q405-L408 PolarHBondContact O-N 3.44Å; D406-L408 VanDerWaalsContact C-N 3.34Å; D406-L408 PolarHBondContact O-N 2.93Å; L408-V410 PolarHBondContact O-N 2.89Å; L408-K411 WeakPolarHBondContact O-CB 3.39Å; L408-K411 PolarHBondContact O-N 2.78Å; L408-M412 WeakPolarHBondContact O-CG 3.25Å; L408-M412 PolarHBondContact O-N 3.43Å |
| 409 | N | 97.3 | Very high | 97.2 | Very high | 76 Ų | 76 | 97.1 Ų | 97.1 | 41% | 0.406 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 176.8 | -65.2 | -21.9 | 0 | 0 | 0 | 111.3 | Q405 D406 L407 M412 A413 | Q405-N409 PolarHBondContact NE2-OD1 3.4Å; Q405-N409 PolarHBondContact O-N 2.81Å; Q405-N409 PolarHBondContact O-ND2 3.13Å; Q405-N409 PolarHBondContact O-OD1 3.04Å; D406-N409 WeakPolarHBondContact O-CB 3.42Å; D406-N409 PolarHBondContact O-N 3.33Å; L407-N409 VanDerWaalsContact C-N 3.33Å; N409-M412 PolarHBondContact O-N 2.93Å; N409-A413 PolarHBondContact O-N 3.34Å |
| 410 | V | 97.7 | Very high | 97 | Very high | 83 Ų | 83 | 93.9 Ų | 93.9 | 50% | 0.503 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 174.8 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | D406 L407 L408 M412 A413 L414 | D406-V410 WeakPolarHBondContact O-CG2 3.48Å; D406-V410 PolarHBondContact O-N 2.81Å; L407-V410 PolarHBondContact O-N 3.41Å; L408-V410 PolarHBondContact O-N 2.89Å; V410-M412 VanDerWaalsContact C-N 3.31Å; V410-M412 PolarHBondContact O-N 2.93Å; V410-A413 WeakPolarHBondContact O-CB 3.49Å; V410-A413 PolarHBondContact O-N 3.12Å; V410-L414 HydrophobicContact CG1-CD1 4.25Å; V410-L414 HydrophobicContact CG1-CG 4.5Å; V410-L414 WeakPolarHBondContact O-CG 3.5Å; V410-L414 PolarHBondContact O-N 3.24Å |
| 411 | K | 97.5 | Very high | 96.9 | Very high | 107 Ų | 107 | 96.3 Ų | 96.3 | 47% | 0.465 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.7 | -42.7 | 177 | -173.1 | -91 | 172 | -179.8 | 0 | 111.6 | L407 L408 L414 D415 | L407-K411 WeakPolarHBondContact O-CB 3.24Å; L407-K411 PolarHBondContact O-N 3.45Å; L408-K411 WeakPolarHBondContact O-CB 3.39Å; L408-K411 PolarHBondContact O-N 2.78Å; K411-L414 PolarHBondContact O-N 2.91Å; K411-D415 VanDerWaalsContact CD-OD2 3.31Å; K411-D415 WeakPolarHBondContact CD-OD2 3.49Å; K411-D415 WeakPolarHBondContact CE-OD1 3.5Å; K411-D415 WeakPolarHBondContact CE-OD2 3.26Å; K411-D415 VanDerWaalsContact NZ-CG 3.29Å; K411-D415 IonicContact NZ-OD1 3.22Å; K411-D415 PolarHBondContact NZ-OD1 2.85Å; K411-D415 IonicContact NZ-OD2 3.79Å; K411-D415 PolarHBondContact NZ-OD2 3.24Å; K411-D415 PolarHBondContact O-N 3.37Å |
| 412 | M | 97.7 | Very high | 96.7 | Very high | 102 Ų | 102 | 98.6 Ų | 98.6 | 50% | 0.502 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 176.3 | -72.2 | -177.5 | 63.5 | 0 | 0 | 112 | L408 N409 V410 D415 I416 | L408-M412 WeakPolarHBondContact O-CG 3.25Å; L408-M412 PolarHBondContact O-N 3.43Å; N409-M412 PolarHBondContact O-N 2.93Å; V410-M412 VanDerWaalsContact C-N 3.31Å; V410-M412 PolarHBondContact O-N 2.93Å; M412-D415 PolarHBondContact O-N 3.39Å; M412-I416 WeakPolarHBondContact O-CG1 3.47Å; M412-I416 PolarHBondContact O-N 2.9Å; M412-I416 VanDerWaalsContact O-N 3.08Å |
| 413 | A | 97.5 | Very high | 96.4 | Very high | 46 Ų | 46 | 98.8 Ų | 98.8 | 38% | 0.38 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | N409 V410 D415 I416 E417 | N409-A413 PolarHBondContact O-N 3.34Å; V410-A413 WeakPolarHBondContact O-CB 3.49Å; V410-A413 PolarHBondContact O-N 3.12Å; A413-D415 PolarHBondContact O-N 2.93Å; A413-I416 WeakPolarHBondContact O-CB 3.33Å; A413-I416 PolarHBondContact O-N 3.48Å; A413-E417 WeakPolarHBondContact O-CG 3.5Å; A413-E417 PolarHBondContact O-N 2.89Å |
| 414 | L | 97.1 | Very high | 96.1 | Very high | 86 Ų | 86 | 100.7 Ų | 100.7 | 45% | 0.45 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -39.2 | 175.7 | -69.2 | 174.7 | 0 | 0 | 0 | 112.7 | V410 K411 I416 E417 I418 | V410-L414 HydrophobicContact CG1-CD1 4.25Å; V410-L414 HydrophobicContact CG1-CG 4.5Å; V410-L414 WeakPolarHBondContact O-CG 3.5Å; V410-L414 PolarHBondContact O-N 3.24Å; K411-L414 PolarHBondContact O-N 2.91Å; L414-I416 VanDerWaalsContact C-N 3.28Å; L414-I416 PolarHBondContact O-N 3.18Å; L414-E417 PolarHBondContact O-N 3.32Å; L414-I418 WeakPolarHBondContact O-CB 3.28Å; L414-I418 VanDerWaalsContact O-CG1 3.24Å; L414-I418 WeakPolarHBondContact O-CG1 3.37Å; L414-I418 PolarHBondContact O-N 3.04Å |
| 415 | D | 96.6 | Very high | 95.4 | Very high | 67 Ų | 67 | 98.2 Ų | 98.2 | 36% | 0.358 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.2 | -40.2 | 174.5 | -69.2 | -33 | 0 | 0 | 0 | 111.6 | K411 M412 A413 I418 A419 | K411-D415 VanDerWaalsContact CD-OD2 3.31Å; K411-D415 WeakPolarHBondContact CD-OD2 3.49Å; K411-D415 WeakPolarHBondContact CE-OD1 3.5Å; K411-D415 WeakPolarHBondContact CE-OD2 3.26Å; K411-D415 VanDerWaalsContact NZ-CG 3.29Å; K411-D415 IonicContact NZ-OD1 3.22Å; K411-D415 PolarHBondContact NZ-OD1 2.85Å; K411-D415 IonicContact NZ-OD2 3.79Å; K411-D415 PolarHBondContact NZ-OD2 3.24Å; K411-D415 PolarHBondContact O-N 3.37Å; M412-D415 PolarHBondContact O-N 3.39Å; A413-D415 PolarHBondContact O-N 2.93Å; D415-I418 PolarHBondContact O-N 2.86Å; D415-A419 WeakPolarHBondContact O-CB 3.46Å; D415-A419 PolarHBondContact O-N 2.93Å |
| 416 | I | 95.7 | Very high | 94.6 | Very high | 109 Ų | 109 | 99.2 Ų | 99.2 | 56% | 0.559 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.7 | -47.3 | 175.5 | -66.3 | 165.2 | 0 | 0 | 0 | 109.6 | M412 A413 L414 I418 A419 T420 | M412-I416 WeakPolarHBondContact O-CG1 3.47Å; M412-I416 PolarHBondContact O-N 2.9Å; M412-I416 VanDerWaalsContact O-N 3.08Å; A413-I416 WeakPolarHBondContact O-CB 3.33Å; A413-I416 PolarHBondContact O-N 3.48Å; L414-I416 VanDerWaalsContact C-N 3.28Å; L414-I416 PolarHBondContact O-N 3.18Å; I416-I418 PolarHBondContact O-N 3.2Å; I416-A419 WeakPolarHBondContact O-CB 3.44Å; I416-A419 PolarHBondContact O-N 2.9Å; I416-T420 WeakPolarHBondContact O-CG2 3.24Å; I416-T420 PolarHBondContact O-N 3.4Å; I416-T420 PolarHBondContact O-OG1 3.4Å |
| 417 | E | 96.9 | Very high | 93.2 | Very high | 91 Ų | 91 | 96.1 Ų | 96.1 | 43% | 0.425 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.5 | -48.7 | 176 | -72.6 | 178.6 | -167.5 | 0 | 0 | 111.5 | A413 L414 A419 T420 Y421 | A413-E417 WeakPolarHBondContact O-CG 3.5Å; A413-E417 PolarHBondContact O-N 2.89Å; L414-E417 PolarHBondContact O-N 3.32Å; E417-A419 VanDerWaalsContact C-N 3.29Å; E417-A419 PolarHBondContact O-N 3.46Å; E417-T420 WeakPolarHBondContact CA-OG1 3.26Å; E417-T420 CarbonylContact O-C 3.55Å; E417-T420 PolarHBondContact O-N 2.9Å; E417-T420 PolarHBondContact O-OG1 2.77Å; E417-Y421 HydrophobicContact CB-CD2 4.34Å; E417-Y421 HydrophobicContact CB-CE2 4.07Å; E417-Y421 WeakPolarHBondContact O-CD2 3.3Å; E417-Y421 PolarHBondContact O-N 3.41Å |
| 418 | I | 95.1 | Very high | 91.7 | Very high | 81 Ų | 81 | 95.1 Ų | 95.1 | 42% | 0.415 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.1 | -43.3 | 176.6 | -69.4 | 165.8 | 0 | 0 | 0 | 110.8 | L414 D415 I416 T420 Y421 R422 | L414-I418 WeakPolarHBondContact O-CB 3.28Å; L414-I418 VanDerWaalsContact O-CG1 3.24Å; L414-I418 WeakPolarHBondContact O-CG1 3.37Å; L414-I418 PolarHBondContact O-N 3.04Å; D415-I418 PolarHBondContact O-N 2.86Å; I416-I418 PolarHBondContact O-N 3.2Å; I418-T420 VanDerWaalsContact C-N 3.33Å; I418-T420 PolarHBondContact O-N 3.08Å; I418-Y421 PolarHBondContact O-N 3.15Å; I418-R422 HydrophobicContact CG2-CG 4.48Å; I418-R422 WeakPolarHBondContact O-CB 3.37Å; I418-R422 VanDerWaalsContact O-CG 3.3Å; I418-R422 WeakPolarHBondContact O-CG 3.46Å; I418-R422 PolarHBondContact O-N 3.49Å |
| 419 | A | 95.1 | Very high | 89.8 | Confident | 57 Ų | 57 | 97.9 Ų | 97.9 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.5 | -40 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D415 I416 E417 K423 | D415-A419 WeakPolarHBondContact O-CB 3.46Å; D415-A419 PolarHBondContact O-N 2.93Å; I416-A419 WeakPolarHBondContact O-CB 3.44Å; I416-A419 PolarHBondContact O-N 2.9Å; E417-A419 VanDerWaalsContact C-N 3.29Å; E417-A419 PolarHBondContact O-N 3.46Å; A419-K423 PolarHBondContact O-N 2.93Å; A419-K423 VanDerWaalsContact O-N 3.09Å |
| 420 | T | 93.9 | Very high | 87.8 | Confident | 71 Ų | 71 | 98.2 Ų | 98.2 | 44% | 0.436 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.7 | -42.6 | 175.6 | 60.7 | 0 | 0 | 0 | 0 | 112.8 | I416 E417 I418 K423 L424 | I416-T420 WeakPolarHBondContact O-CG2 3.24Å; I416-T420 PolarHBondContact O-N 3.4Å; I416-T420 PolarHBondContact O-OG1 3.4Å; E417-T420 WeakPolarHBondContact CA-OG1 3.26Å; E417-T420 CarbonylContact O-C 3.55Å; E417-T420 PolarHBondContact O-N 2.9Å; E417-T420 PolarHBondContact O-OG1 2.77Å; I418-T420 VanDerWaalsContact C-N 3.33Å; I418-T420 PolarHBondContact O-N 3.08Å; T420-K423 PolarHBondContact O-N 2.96Å; T420-L424 PolarHBondContact O-N 2.89Å |
| 421 | Y | 95.7 | Very high | 86 | Confident | 140 Ų | 140 | 103.5 Ų | 103.5 | 55% | 0.549 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 175.5 | -72.5 | -56.3 | 0 | 0 | 0 | 111.6 | E417 I418 K423 L424 L425 | E417-Y421 HydrophobicContact CB-CD2 4.34Å; E417-Y421 HydrophobicContact CB-CE2 4.07Å; E417-Y421 WeakPolarHBondContact O-CD2 3.3Å; E417-Y421 PolarHBondContact O-N 3.41Å; I418-Y421 PolarHBondContact O-N 3.15Å; Y421-K423 VanDerWaalsContact C-N 3.35Å; Y421-K423 PolarHBondContact O-N 3.37Å; Y421-L424 PolarHBondContact O-N 3.44Å; Y421-L425 WeakPolarHBondContact O-CG 3.39Å; Y421-L425 PolarHBondContact O-N 3.32Å |
| 422 | R | 93.4 | Very high | 83.8 | Confident | 163 Ų | 163 | 105.2 Ų | 105.2 | 62% | 0.615 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -57.3 | -47.1 | 173.8 | -76.3 | 175.6 | 179.1 | 172.9 | 1.5 | 111.6 | I418 L424 L425 E426 | I418-R422 HydrophobicContact CG2-CG 4.48Å; I418-R422 WeakPolarHBondContact O-CB 3.37Å; I418-R422 VanDerWaalsContact O-CG 3.3Å; I418-R422 WeakPolarHBondContact O-CG 3.46Å; I418-R422 PolarHBondContact O-N 3.49Å; R422-L424 VanDerWaalsContact C-N 3.34Å; R422-L424 PolarHBondContact O-N 2.89Å; R422-L425 PolarHBondContact O-N 2.99Å; R422-E426 WeakPolarHBondContact O-CG 3.45Å; R422-E426 PolarHBondContact O-N 2.89Å |
| 423 | K | 91.9 | Very high | 81.2 | Confident | 154 Ų | 154 | 103.9 Ų | 103.9 | 67% | 0.67 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.1 | -36.5 | 178.4 | -171.8 | 177.5 | -179.3 | -179.5 | 0 | 113.3 | A419 T420 Y421 G427 | A419-K423 PolarHBondContact O-N 2.93Å; A419-K423 VanDerWaalsContact O-N 3.09Å; T420-K423 PolarHBondContact O-N 2.96Å; Y421-K423 VanDerWaalsContact C-N 3.35Å; Y421-K423 PolarHBondContact O-N 3.37Å; K423-G427 PolarHBondContact O-N 3.42Å; K423-G427 VanDerWaalsContact O-N 3.15Å |
| 424 | L | 90.4 | Very high | 78.5 | Confident | 118 Ų | 118 | 108.3 Ų | 108.3 | 62% | 0.618 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.1 | -41.7 | 175.4 | -79.2 | 162.1 | 0 | 0 | 0 | 111.9 | T420 Y421 R422 G427 E428 | T420-L424 PolarHBondContact O-N 2.89Å; Y421-L424 PolarHBondContact O-N 3.44Å; R422-L424 VanDerWaalsContact C-N 3.34Å; R422-L424 PolarHBondContact O-N 2.89Å; L424-G427 CarbonylContact O-C 3.49Å; L424-G427 WeakPolarHBondContact O-CA 3.39Å; L424-G427 PolarHBondContact O-N 2.94Å; L424-G427 VanDerWaalsContact O-N 3.11Å; L424-E428 PolarHBondContact O-N 2.85Å |
| 425 | L | 84.5 | Confident | 76 | Confident | 113 Ų | 113 | 109 Ų | 109 | 59% | 0.592 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.2 | -43.8 | 176 | -74.7 | 164.7 | 0 | 0 | 0 | 111.8 | Y421 R422 G427 E428 E429 | Y421-L425 WeakPolarHBondContact O-CG 3.39Å; Y421-L425 PolarHBondContact O-N 3.32Å; R422-L425 PolarHBondContact O-N 2.99Å; L425-G427 PolarHBondContact O-N 3.47Å; L425-E428 PolarHBondContact O-N 2.95Å; L425-E428 VanDerWaalsContact O-N 3.12Å; L425-E429 PolarHBondContact O-N 3.16Å |
| 426 | E | 79.4 | Confident | 73.3 | Confident | 120 Ų | 120 | 113.9 Ų | 113.9 | 56% | 0.561 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -58.6 | -33.9 | 171.6 | -71.1 | 167.5 | -169.5 | 0 | 0 | 111.9 | R422 S430 | R422-E426 WeakPolarHBondContact O-CG 3.45Å; R422-E426 PolarHBondContact O-N 2.89Å; E426-S430 PolarHBondContact O-N 2.82Å; E426-S430 PolarHBondContact O-OG 3.42Å |
| 427 | G | 69.9 | Low | 70.6 | Confident | 35 Ų | 35 | 116.4 Ų | 116.4 | 36% | 0.361 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71.1 | -31.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | K423 L424 L425 S430 | K423-G427 PolarHBondContact O-N 3.42Å; K423-G427 VanDerWaalsContact O-N 3.15Å; L424-G427 CarbonylContact O-C 3.49Å; L424-G427 WeakPolarHBondContact O-CA 3.39Å; L424-G427 PolarHBondContact O-N 2.94Å; L424-G427 VanDerWaalsContact O-N 3.11Å; L425-G427 PolarHBondContact O-N 3.47Å; G427-S430 WeakPolarHBondContact O-CB 3.37Å |
| 428 | E | 64.5 | Low | 68.1 | Low | 94 Ų | 94 | 119 Ų | 119 | 44% | 0.439 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -81.6 | -34.7 | 175.7 | -80 | -70.1 | 130.8 | 0 | 0 | 112.3 | L424 L425 S430 R431 I432 | L424-E428 PolarHBondContact O-N 2.85Å; L425-E428 PolarHBondContact O-N 2.95Å; L425-E428 VanDerWaalsContact O-N 3.12Å; E428-S430 PolarHBondContact O-N 3.38Å; E428-R431 PolarHBondContact O-N 3.43Å; E428-R431 WeakPolarHBondContact OE1-CD 3.25Å; E428-R431 IonicContact OE1-NH1 2.84Å; E428-I432 PolarHBondContact O-N 3.44Å |
| 429 | E | 58.3 | Low | 65.2 | Low | 142 Ų | 142 | 122.8 Ų | 122.8 | 66% | 0.664 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -59.6 | -31.5 | 167.7 | -72.7 | -177.4 | 173.4 | 0 | 0 | 111.5 | L425 R431 S433 | L425-E429 PolarHBondContact O-N 3.16Å; E429-R431 VanDerWaalsContact C-N 3.25Å; E429-R431 PolarHBondContact O-N 2.88Å; E429-S433 WeakPolarHBondContact O-CB 3.48Å; E429-S433 PolarHBondContact O-N 2.88Å; E429-S433 PolarHBondContact O-OG 2.99Å |
| 430 | S | 55.8 | Low | 62.4 | Low | 84 Ų | 84 | 121.4 Ų | 121.4 | 59% | 0.587 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.8 | -15 | 172.7 | -56.7 | 0 | 0 | 0 | 0 | 114 | E426 G427 E428 | E426-S430 PolarHBondContact O-N 2.82Å; E426-S430 PolarHBondContact O-OG 3.42Å; G427-S430 WeakPolarHBondContact O-CB 3.37Å; E428-S430 PolarHBondContact O-N 3.38Å |
| 431 | R | 58.6 | Low | 59.6 | Low | 194 Ų | 194 | 126.2 Ų | 126.2 | 73% | 0.732 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -100.6 | -32.1 | 177.3 | -71.4 | 178.1 | 137.3 | -147.9 | -6.1 | 113.2 | E428 E429 S433 | E428-R431 PolarHBondContact O-N 3.43Å; E428-R431 WeakPolarHBondContact OE1-CD 3.25Å; E428-R431 IonicContact OE1-NH1 2.84Å; E429-R431 VanDerWaalsContact C-N 3.25Å; E429-R431 PolarHBondContact O-N 2.88Å; R431-S433 VanDerWaalsContact C-N 3.32Å |
| 432 | I | 52 | Low | 56.8 | Low | 142 Ų | 142 | 122.9 Ų | 122.9 | 73% | 0.728 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -81.9 | -13.7 | 176.5 | -63.8 | 175.4 | 0 | 0 | 0 | 111.5 | E428 V434 | E428-I432 PolarHBondContact O-N 3.44Å; I432-V434 PolarHBondContact O-N 2.98Å |
| 433 | S | 43 | Very low | 53.9 | Low | 74 Ų | 74 | 120.5 Ų | 120.5 | 52% | 0.517 | 64% | 0.644 | S | S | . | * | trans | -84.6 | 107.4 | 168.6 | 54.5 | 0 | 0 | 0 | 0 | 112.7 | E429 R431 | E429-S433 WeakPolarHBondContact O-CB 3.48Å; E429-S433 PolarHBondContact O-N 2.88Å; E429-S433 PolarHBondContact O-OG 2.99Å; R431-S433 VanDerWaalsContact C-N 3.32Å | ||
| 434 | V | 40 | Very low | 51.2 | Low | 140 Ų | 140 | 120.5 Ų | 120.5 | 85% | 0.848 | 65% | 0.646 | S | S | * | * | trans | -78.7 | 143.8 | 152.6 | 176.6 | 0 | 0 | 0 | 0 | 107 | I432 | I432-V434 PolarHBondContact O-N 2.98Š| ||
| 435 | P | 46.2 | Very low | 48.4 | Very low | 100 Ų | 100 | 123.7 Ų | 123.7 | 65% | 0.649 | 66% | 0.655 | S | S | * | * | -85.8 | 139.1 | -129.3 | 32.5 | -35.4 | 0 | 0 | 0 | 114.9 | |||||
| 436 | I | 39.2 | Very low | 45.9 | Very low | 170 Ų | 170 | 121.6 Ų | 121.6 | 87% | 0.872 | 66% | 0.66 | S | S | * | * | S | Bend | -123.7 | 93.1 | 129.5 | -62.9 | -177.8 | 0 | 0 | 0 | 106.9 | |||
| 437 | L | 39.5 | Very low | 43.7 | Very low | 161 Ų | 161 | 123.1 Ų | 123.1 | 84% | 0.843 | 67% | 0.672 | S | S | * | * | trans | 32.2 | 106.3 | 157.4 | -63.9 | 170.3 | 0 | 0 | 0 | 119.4 | ||||
| 438 | N | 42.8 | Very low | 42.1 | Very low | 145 Ų | 145 | 131.4 Ų | 131.4 | 78% | 0.775 | 69% | 0.693 | S | S | * | * | trans | -68.9 | 140.9 | 161.9 | -170.1 | 33.9 | 0 | 0 | 0 | 113.1 | ||||
| 439 | I | 36.1 | Very low | 40.4 | Very low | 162 Ų | 162 | 133.6 Ų | 133.6 | 83% | 0.831 | 71% | 0.707 | S | S | * | * | trans | -140 | 97 | 150.3 | -69.7 | 167.8 | 0 | 0 | 0 | 105.3 | ||||
| 440 | G | 35.1 | Very low | 39.3 | Very low | 28 Ų | 28 | 138 Ų | 138 | 29% | 0.289 | 72% | 0.719 | S | S | . | * | 70.2 | 94.2 | 85.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 441 | M | 34.6 | Very low | 38.1 | Very low | 171 Ų | 171 | 143.3 Ų | 143.3 | 84% | 0.842 | 74% | 0.735 | S | S | * | * | 39.8 | 131.7 | 68.7 | -59.5 | -68.4 | -91.9 | 0 | 0 | 111.9 | |||||
| 442 | S | 37.5 | Very low | 36.9 | Very low | 70 Ų | 70 | 143.6 Ų | 143.6 | 49% | 0.49 | 74% | 0.736 | S | S | . | * | cis | -171.4 | 156.3 | 20.8 | -130.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 443 | N | 32.8 | Very low | 36 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 61% | 0.61 | 73% | 0.733 | S | S | * | * | trans | 48.2 | 132.2 | 137.1 | -57.4 | -7.9 | 0 | 0 | 0 | 121.1 | ||||
| 444 | H | 35.6 | Very low | 35.8 | Very low | 154 Ų | 154 | 142 Ų | 142 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | -179.6 | 126.2 | 85.8 | -92.1 | -72.8 | 0 | 0 | 0 | 113.7 | |||||
| 445 | F | 30.8 | Very low | 35.5 | Very low | 185 Ų | 185 | 140.6 Ų | 140.6 | 81% | 0.811 | 73% | 0.728 | S | S | * | * | 53.7 | 119.7 | 126.6 | -75.1 | -110.6 | 0 | 0 | 0 | 121.7 | |||||
| 446 | G | 31.6 | Very low | 34.9 | Very low | 68 Ų | 68 | 141.9 Ų | 141.9 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | trans | -168.2 | 99.2 | 147.2 | 0 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 447 | D | 33.8 | Very low | 35.2 | Very low | 153 Ų | 153 | 141.2 Ų | 141.2 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | 50.7 | 131.2 | 76 | -160.9 | 32.8 | 0 | 0 | 0 | 112.9 | |||||
| 448 | R | 35.7 | Very low | 35.2 | Very low | 208 Ų | 208 | 136.6 Ų | 136.6 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | trans | 83.5 | 131.4 | -174.8 | -58.8 | -179.8 | 178.4 | -172.9 | -4.4 | 115.9 | ||||
| 449 | D | 29.7 | Very low | 35.6 | Very low | 140 Ų | 140 | 137.1 Ų | 137.1 | 75% | 0.749 | 71% | 0.714 | S | S | * | * | cis | -156.3 | 146.6 | -2.4 | -95.6 | -39.5 | 0 | 0 | 0 | 106.4 | E451 | D449-E451 PolarHBondContact O-N 2.99Š| ||
| 450 | Y | 34.7 | Very low | 36.5 | Very low | 234 Ų | 234 | 137.7 Ų | 137.7 | 92% | 0.918 | 71% | 0.71 | S | S | * | * | trans | -62.6 | 103.3 | 164.6 | -94.5 | -100.5 | 0 | 0 | 0 | 108.7 | R452 | Y450-R452 PolarHBondContact O-N 3.49Š| ||
| 451 | E | 30.6 | Very low | 37.5 | Very low | 197 Ų | 197 | 140.5 Ų | 140.5 | 92% | 0.921 | 72% | 0.722 | S | S | * | * | trans | -81.9 | 83.6 | 162 | -146 | 171.7 | -161.1 | 0 | 0 | 108 | D449 A453 | D449-E451 PolarHBondContact O-N 2.99Å; E451-A453 PolarHBondContact O-N 2.97Å | ||
| 452 | R | 34.1 | Very low | 38.8 | Very low | 199 Ų | 199 | 136.1 Ų | 136.1 | 75% | 0.751 | 71% | 0.705 | S | S | * | * | trans | -55.4 | 107.6 | 162.5 | -177.8 | 176.9 | -163.6 | -174.3 | 4.4 | 106.8 | Y450 | Y450-R452 PolarHBondContact O-N 3.49Š| ||
| 453 | A | 32.2 | Very low | 40.1 | Very low | 80 Ų | 80 | 135.6 Ų | 135.6 | 66% | 0.661 | 70% | 0.698 | S | S | * | * | trans | -49.5 | 126.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | E451 D455 | E451-A453 PolarHBondContact O-N 2.97Å; A453-D455 PolarHBondContact O-N 3.34Å | ||
| 454 | P | 38.5 | Very low | 41.9 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 67% | 0.669 | 69% | 0.692 | S | S | * | * | trans | -61.3 | 122.3 | 177 | 25.3 | -29.9 | 0 | 0 | 0 | 105.9 | T456 | P454-T456 PolarHBondContact O-N 2.89Š| ||
| 455 | D | 35.1 | Very low | 43.3 | Very low | 111 Ų | 111 | 133.1 Ų | 133.1 | 59% | 0.594 | 68% | 0.683 | S | S | * | * | trans | -54.3 | 94 | 153.3 | -81.9 | -45.4 | 0 | 0 | 0 | 104.9 | A453 H457 | A453-D455 PolarHBondContact O-N 3.34Å; D455-H457 WeakPolarHBondContact CB-ND1 3.3Å; D455-H457 PolarHBondContact O-N 3.46Å; D455-H457 PolarHBondContact O-ND1 3.27Å; D455-H457 VanDerWaalsContact O-ND1 3.1Å | ||
| 456 | T | 33.8 | Very low | 45.3 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 78% | 0.779 | 67% | 0.67 | S | S | * | * | trans | -62.3 | 85.5 | 159.5 | 47.3 | 0 | 0 | 0 | 0 | 104.6 | P454 G458 | P454-T456 PolarHBondContact O-N 2.89Å; T456-G458 PolarHBondContact O-N 3.4Å | ||
| 457 | H | 45.7 | Very low | 47.1 | Very low | 155 Ų | 155 | 128.6 Ų | 128.6 | 72% | 0.718 | 66% | 0.658 | S | S | * | * | trans | -58.2 | 86.5 | 153.6 | -69.4 | 72.7 | 0 | 0 | 0 | 103.9 | D455 K459 | D455-H457 WeakPolarHBondContact CB-ND1 3.3Å; D455-H457 PolarHBondContact O-N 3.46Å; D455-H457 PolarHBondContact O-ND1 3.27Å; D455-H457 VanDerWaalsContact O-ND1 3.1Å; H457-K459 PolarHBondContact O-N 3.46Å | ||
| 458 | G | 38.7 | Very low | 48.9 | Very low | 64 Ų | 64 | 128.1 Ų | 128.1 | 66% | 0.66 | 65% | 0.65 | S | S | * | * | trans | -56 | 100.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 105.6 | T456 K460 | T456-G458 PolarHBondContact O-N 3.4Å; G458-K460 PolarHBondContact O-N 3.32Å | ||
| 459 | K | 51.1 | Low | 50.5 | Low | 156 Ų | 156 | 122.6 Ų | 122.6 | 68% | 0.678 | 64% | 0.64 | S | S | * | * | trans | -50.3 | 114 | 177.7 | -65.9 | 176.8 | 175.4 | -174.3 | 0 | 106.6 | H457 T461 | H457-K459 PolarHBondContact O-N 3.46Å; K459-T461 VanDerWaalsContact C-N 3.3Å; K459-T461 PolarHBondContact O-N 2.81Å | ||
| 460 | K | 54.3 | Low | 51.8 | Low | 175 Ų | 175 | 125.2 Ų | 125.2 | 76% | 0.761 | 64% | 0.639 | S | S | * | * | trans | -70.8 | 94.2 | 172.6 | -70.5 | -179.1 | -178.4 | 176.1 | 0 | 106.8 | G458 V462 S484 | G458-K460 PolarHBondContact O-N 3.32Å; K460-V462 PolarHBondContact O-N 3.21Å; K460-V462 VanDerWaalsContact O-N 3.16Å; K460-S484 PolarHBondContact O-OG 3.27Å; K460-S484 VanDerWaalsContact O-OG 3.06Å | ||
| 461 | T | 56 | Low | 53.3 | Low | 87 Ų | 87 | 121.4 Ų | 121.4 | 53% | 0.534 | 64% | 0.635 | S | S | . | * | trans | -67.8 | 106.4 | 166.4 | 44.9 | 0 | 0 | 0 | 0 | 107.6 | K459 V463 | K459-T461 VanDerWaalsContact C-N 3.3Å; K459-T461 PolarHBondContact O-N 2.81Å; T461-V463 PolarHBondContact O-N 2.86Å | ||
| 462 | V | 62.2 | Low | 55.2 | Low | 79 Ų | 79 | 115.5 Ų | 115.5 | 48% | 0.479 | 63% | 0.626 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82 | 112.2 | 175 | -179.6 | 0 | 0 | 0 | 0 | 107.2 | K460 I464 | K460-V462 PolarHBondContact O-N 3.21Å; K460-V462 VanDerWaalsContact O-N 3.16Å; V462-I464 HydrophobicContact CG1-CG1 4.02Å; V462-I464 PolarHBondContact O-N 2.85Å |
| 463 | V | 64.8 | Low | 56.8 | Low | 59 Ų | 59 | 113.3 Ų | 113.3 | 36% | 0.358 | 63% | 0.625 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.7 | 105.1 | 173.8 | -179.1 | 0 | 0 | 0 | 0 | 107.6 | T461 K465 R479 | T461-V463 PolarHBondContact O-N 2.86Å; V463-K465 HydrophobicContact CG1-CG 4.44Å; V463-K465 PolarHBondContact O-N 3.07Å; V463-R479 HydrophobicContact CG1-CG 3.8Å |
| 464 | I | 70.1 | Confident | 58.9 | Low | 93 Ų | 93 | 113.7 Ų | 113.7 | 48% | 0.477 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.1 | 106.4 | 174.7 | -56.7 | 176.4 | 0 | 0 | 0 | 107.2 | V462 | V462-I464 HydrophobicContact CG1-CG1 4.02Å; V462-I464 PolarHBondContact O-N 2.85Å |
| 465 | K | 66.4 | Low | 60.6 | Low | 122 Ų | 122 | 114.1 Ų | 114.1 | 53% | 0.53 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89 | 117.4 | 167.6 | -81.3 | -173.1 | 170.8 | -155.4 | 0 | 108.5 | V463 E477 | V463-K465 HydrophobicContact CG1-CG 4.44Å; V463-K465 PolarHBondContact O-N 3.07Å; K465-E477 VanDerWaalsContact CD-OE1 3.25Å; K465-E477 WeakPolarHBondContact CD-OE1 3.33Å; K465-E477 WeakPolarHBondContact CE-OE1 3.43Å; K465-E477 IonicContact NZ-OE1 2.91Å; K465-E477 PolarHBondContact NZ-OE1 3.45Å |
| 466 | T | 71.8 | Confident | 62.4 | Low | 87 Ų | 87 | 115.7 Ų | 115.7 | 53% | 0.534 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.6 | 121.8 | 168.8 | 25.6 | 0 | 0 | 0 | 0 | 107.6 | S478 | T466-S478 PolarHBondContact N-O 3.01Å; T466-S478 PolarHBondContact O-N 3.32Å |
| 467 | V | 69.5 | Low | 64.4 | Low | 72 Ų | 72 | 114.9 Ų | 114.9 | 44% | 0.436 | 61% | 0.608 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.3 | 113 | -177.2 | -176.8 | 0 | 0 | 0 | 0 | 106.6 | T469 V474 | V467-T469 HydrophobicContact CG1-CG2 4.15Å; V467-V474 HydrophobicContact CG1-CB 4.15Å; V467-V474 HydrophobicContact CG1-CG1 3.53Å; V467-V474 HydrophobicContact CG1-CG2 3.61Å |
| 468 | E | 71.4 | Confident | 65.7 | Low | 143 Ų | 143 | 110.3 Ų | 110.3 | 67% | 0.668 | 59% | 0.594 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.3 | 112.6 | 171.9 | -113.5 | 179 | 166.3 | 0 | 0 | 108.3 | V475 K476 | E468-V475 PolarHBondContact O-N 3.42Å; E468-V475 VanDerWaalsContact O-N 3.11Å; E468-K476 PolarHBondContact N-O 2.96Å |
| 469 | T | 70.8 | Confident | 67.4 | Low | 91 Ų | 91 | 114.7 Ų | 114.7 | 56% | 0.558 | 59% | 0.59 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.8 | 133.9 | 174.3 | 41.8 | 0 | 0 | 0 | 0 | 110.3 | V467 E473 V474 | V467-T469 HydrophobicContact CG1-CG2 4.15Å; T469-E473 WeakPolarHBondContact CA-O 3.39Å; T469-V474 HydrophobicContact CG2-CG2 3.9Å |
| 470 | R | 56.3 | Low | 68 | Low | 195 Ų | 195 | 116.8 Ų | 116.8 | 74% | 0.736 | 59% | 0.594 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -130.4 | 127 | 167.4 | -165 | 178.6 | -177.7 | 173.9 | 1.8 | 106.9 | G472 E473 V475 | R470-G472 PolarHBondContact O-N 3.48Å; R470-E473 PolarHBondContact N-O 3.14Å; R470-E473 PolarHBondContact O-N 2.94Å; R470-V475 HydrophobicContact CB-CG2 4.32Å |
| 471 | D | 66 | Low | 68.7 | Low | 155 Ų | 155 | 114.5 Ų | 114.5 | 83% | 0.829 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 56.7 | 33.4 | -177.6 | -51.2 | -38.1 | 0 | 0 | 0 | 114.5 | E473 | D471-E473 VanDerWaalsContact C-N 3.28Å; D471-E473 PolarHBondContact O-N 3.39Å |
| 472 | G | 69.8 | Low | 68.8 | Low | 72 Ų | 72 | 117.8 Ų | 117.8 | 74% | 0.742 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.9 | -8.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | R470 | R470-G472 PolarHBondContact O-N 3.48Š|
| 473 | E | 68.2 | Low | 68.5 | Low | 154 Ų | 154 | 121 Ų | 121 | 72% | 0.72 | 60% | 0.602 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.4 | 143.1 | 172.8 | -70.5 | -166 | 159.5 | 0 | 0 | 112.2 | T469 R470 D471 V475 | T469-E473 WeakPolarHBondContact CA-O 3.39Å; R470-E473 PolarHBondContact N-O 3.14Å; R470-E473 PolarHBondContact O-N 2.94Å; D471-E473 VanDerWaalsContact C-N 3.28Å; D471-E473 PolarHBondContact O-N 3.39Å; E473-V475 PolarHBondContact O-N 2.97Å |
| 474 | V | 76.5 | Confident | 67.7 | Low | 88 Ų | 88 | 121.7 Ų | 121.7 | 53% | 0.533 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.2 | 105 | 179.5 | 175.6 | 0 | 0 | 0 | 0 | 109.3 | V467 T469 | V467-V474 HydrophobicContact CG1-CB 4.15Å; V467-V474 HydrophobicContact CG1-CG1 3.53Å; V467-V474 HydrophobicContact CG1-CG2 3.61Å; T469-V474 HydrophobicContact CG2-CG2 3.9Å |
| 475 | V | 74.3 | Confident | 66.5 | Low | 111 Ų | 111 | 124.8 Ų | 124.8 | 67% | 0.673 | 63% | 0.627 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.5 | -27.8 | -175 | -178.9 | 0 | 0 | 0 | 0 | 111.7 | E468 R470 E473 | E468-V475 PolarHBondContact O-N 3.42Å; E468-V475 VanDerWaalsContact O-N 3.11Å; R470-V475 HydrophobicContact CB-CG2 4.32Å; E473-V475 PolarHBondContact O-N 2.97Å |
| 476 | K | 71.9 | Confident | 65.5 | Low | 144 Ų | 144 | 124.4 Ų | 124.4 | 63% | 0.626 | 64% | 0.64 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -154.2 | 128 | 179 | -162.3 | 173.7 | -179.5 | -179.8 | 0 | 111.8 | E468 | E468-K476 PolarHBondContact N-O 2.96Å |
| 477 | E | 76.4 | Confident | 63.9 | Low | 110 Ų | 110 | 123 Ų | 123 | 51% | 0.514 | 64% | 0.643 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.5 | 121.9 | 173.9 | -172.2 | 178.6 | -170.9 | 0 | 0 | 109.6 | K465 | K465-E477 VanDerWaalsContact CD-OE1 3.25Å; K465-E477 WeakPolarHBondContact CD-OE1 3.33Å; K465-E477 WeakPolarHBondContact CE-OE1 3.43Å; K465-E477 IonicContact NZ-OE1 2.91Å; K465-E477 PolarHBondContact NZ-OE1 3.45Å |
| 478 | S | 72.2 | Confident | 62.5 | Low | 60 Ų | 60 | 128.3 Ų | 128.3 | 42% | 0.42 | 66% | 0.66 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.5 | 124.1 | 176.3 | 160.1 | 0 | 0 | 0 | 0 | 109.9 | T466 | T466-S478 PolarHBondContact N-O 3.01Å; T466-S478 PolarHBondContact O-N 3.32Å |
| 479 | R | 74.8 | Confident | 60.9 | Low | 156 Ų | 156 | 128 Ų | 128 | 59% | 0.589 | 67% | 0.669 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.3 | 117.4 | 177.4 | -177.9 | 177.1 | 170.7 | 167.4 | -3.4 | 109.3 | V463 E481 | V463-R479 HydrophobicContact CG1-CG 3.8Å; R479-E481 IonicContact CZ-OE1 3.82Å; R479-E481 IonicContact NE-OE1 3.86Å; R479-E481 PolarHBondContact NE-OE1 3.39Å; R479-E481 IonicContact NH2-OE1 3.03Å; R479-E481 PolarHBondContact NH2-OE1 3.17Å |
| 480 | R | 65.1 | Low | 59.5 | Low | 200 Ų | 200 | 130.1 Ų | 130.1 | 76% | 0.755 | 68% | 0.676 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -123.5 | 124.9 | 174.2 | -157.1 | 173.5 | -177.5 | 176.8 | 1 | 109.7 | ||
| 481 | E | 67.6 | Low | 59 | Low | 127 Ų | 127 | 130.3 Ų | 130.3 | 59% | 0.593 | 68% | 0.682 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.4 | 123.7 | 177.7 | -63 | -175.3 | 168 | 0 | 0 | 108.2 | R479 | R479-E481 IonicContact CZ-OE1 3.82Å; R479-E481 IonicContact NE-OE1 3.86Å; R479-E481 PolarHBondContact NE-OE1 3.39Å; R479-E481 IonicContact NH2-OE1 3.03Å; R479-E481 PolarHBondContact NH2-OE1 3.17Å |
| 482 | K | 59.5 | Low | 58.2 | Low | 156 Ų | 156 | 130.5 Ų | 130.5 | 68% | 0.678 | 68% | 0.683 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -122.7 | 121.9 | 177.4 | -154.3 | 178.9 | -176.3 | -175.8 | 0 | 108.2 | ||
| 483 | E | 54.3 | Low | 56.7 | Low | 145 Ų | 145 | 139.9 Ų | 139.9 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | trans | -70 | 128.6 | 172.6 | -65.2 | -167.8 | 157.9 | 0 | 0 | 108.8 | ||||
| 484 | S | 49 | Very low | 56.1 | Low | 74 Ų | 74 | 139.2 Ų | 139.2 | 52% | 0.517 | 71% | 0.707 | S | S | . | * | trans | -87.1 | 109.1 | 175.1 | 52.3 | 0 | 0 | 0 | 0 | 108.8 | K460 S486 | K460-S484 PolarHBondContact O-OG 3.27Å; K460-S484 VanDerWaalsContact O-OG 3.06Å; S484-S486 PolarHBondContact O-N 2.93Å | ||
| 485 | D | 44.9 | Very low | 55.1 | Low | 158 Ų | 158 | 141.8 Ų | 141.8 | 85% | 0.845 | 72% | 0.716 | S | S | * | * | trans | -84.2 | 105.6 | 169.8 | -170.6 | 24.8 | 0 | 0 | 0 | 108.3 | G487 | D485-G487 VanDerWaalsContact C-N 3.27Å; D485-G487 PolarHBondContact O-N 2.9Å; D485-G487 VanDerWaalsContact O-N 3.12Å | ||
| 486 | S | 45.6 | Very low | 54 | Low | 115 Ų | 115 | 143.6 Ų | 143.6 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | trans | -83.1 | 76.9 | 172.9 | 60.4 | 0 | 0 | 0 | 0 | 109.1 | S484 K488 | S484-S486 PolarHBondContact O-N 2.93Å; S486-K488 PolarHBondContact O-N 3.23Å | ||
| 487 | G | 38.3 | Very low | 52.9 | Low | 57 Ų | 57 | 143.5 Ų | 143.5 | 59% | 0.588 | 72% | 0.724 | S | S | * | * | trans | -68.1 | 120.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | D485 T489 | D485-G487 VanDerWaalsContact C-N 3.27Å; D485-G487 PolarHBondContact O-N 2.9Å; D485-G487 VanDerWaalsContact O-N 3.12Å; G487-T489 PolarHBondContact O-N 3.38Å | ||
| 488 | K | 40.2 | Very low | 51.5 | Low | 183 Ų | 183 | 145.6 Ų | 145.6 | 80% | 0.796 | 74% | 0.737 | S | S | * | * | trans | -54.4 | 119.3 | 163.1 | -81.7 | 173.3 | 170.7 | 178.2 | 0 | 108.8 | S486 D490 | S486-K488 PolarHBondContact O-N 3.23Å; K488-D490 VanDerWaalsContact C-N 3.32Å; K488-D490 PolarHBondContact O-N 3.27Å; K488-D490 VanDerWaalsContact O-N 3.16Å | ||
| 489 | T | 37 | Very low | 50.1 | Low | 138 Ų | 138 | 151.3 Ų | 151.3 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | trans | -74.3 | 93.2 | 155.4 | 46.4 | 0 | 0 | 0 | 0 | 107.2 | G487 K491 | G487-T489 PolarHBondContact O-N 3.38Å; T489-K491 PolarHBondContact O-N 3.26Å | ||
| 490 | D | 41.3 | Very low | 48.3 | Very low | 134 Ų | 134 | 151 Ų | 151 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | trans | -64.9 | 121.3 | 157.4 | -77.8 | -32.1 | 0 | 0 | 0 | 107.2 | K488 | K488-D490 VanDerWaalsContact C-N 3.32Å; K488-D490 PolarHBondContact O-N 3.27Å; K488-D490 VanDerWaalsContact O-N 3.16Å | ||
| 491 | K | 46.2 | Very low | 47 | Very low | 199 Ų | 199 | 147.2 Ų | 147.2 | 87% | 0.865 | 77% | 0.772 | S | S | * | * | trans | -69.6 | 120.5 | 159.5 | -86 | 178.8 | 167.9 | -178.4 | 0 | 106.5 | T489 | T489-K491 PolarHBondContact O-N 3.26Š| ||
| 492 | D | 48.3 | Very low | 45.3 | Very low | 159 Ų | 159 | 148.9 Ų | 148.9 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | -137.2 | 151 | 148.4 | -84.7 | -36 | 0 | 0 | 0 | 107.9 | ||||
| 493 | E | 39.5 | Very low | 44 | Very low | 269 Ų | 269 | 148.3 Ų | 148.3 | 100% | 1.257 | 80% | 0.797 | S | S | * | * | trans | -43.8 | 0 | -169.7 | -68.3 | 174.9 | 137.9 | 0 | 0 | 117.9 |
Retrieved 493 of 493 residues in 454.8 ms
(Link to these results)