| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.8 | Very low | 45.4 | Very low | 245 Ų | 245 | 160.4 Ų | 160.4 | 100% | 1.207 | 83% | 0.83 | S | S | * | * | 0 | 126.7 | 0 | -69 | 145.6 | 77.9 | 0 | 0 | 106.2 | |||||
| 2 | S | 38.7 | Very low | 46.2 | Very low | 117 Ų | 117 | 162.1 Ų | 162.1 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -88.4 | 132.5 | -170.5 | 43.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 3 | E | 38.9 | Very low | 45.9 | Very low | 198 Ų | 198 | 156.6 Ų | 156.6 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | trans | -66 | 159.2 | 175.7 | -70 | 172.9 | 94.5 | 0 | 0 | 112.1 | ||||
| 4 | S | 44.4 | Very low | 45.7 | Very low | 105 Ų | 105 | 153.6 Ų | 153.6 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | -117 | 106.8 | -177.6 | -58.9 | 0 | 0 | 0 | 0 | 110.1 | R6 | S4-R6 PolarHBondContact O-N 3.44Š| ||
| 5 | E | 42.2 | Very low | 46.1 | Very low | 190 Ų | 190 | 151.1 Ų | 151.1 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 118.5 | 176 | -63.9 | -177 | 139.4 | 0 | 0 | 110.6 | ||
| 6 | R | 49.3 | Very low | 46.4 | Very low | 239 Ų | 239 | 148.2 Ų | 148.2 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 116.4 | 174.1 | -63.8 | -171.8 | -173 | -175 | 4.1 | 109.8 | S4 | S4-R6 PolarHBondContact O-N 3.44Š|
| 7 | Y | 41.8 | Very low | 46.1 | Very low | 211 Ų | 211 | 146.3 Ų | 146.3 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 146.4 | 165.3 | -95.3 | -101.5 | 0 | 0 | 0 | 111 | ||
| 8 | P | 55.9 | Low | 45.5 | Very low | 108 Ų | 108 | 146.7 Ų | 146.7 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 150.2 | 174 | 29.7 | -35.1 | 0 | 0 | 0 | 111.8 | ||
| 9 | P | 55 | Low | 45.5 | Very low | 118 Ų | 118 | 150.2 Ų | 150.2 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 154.9 | 177.6 | 31.7 | -35.6 | 0 | 0 | 0 | 112.2 | ||
| 10 | P | 49.7 | Very low | 44.9 | Very low | 100 Ų | 100 | 147.7 Ų | 147.7 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 143.5 | 175 | 30.6 | -34.2 | 0 | 0 | 0 | 112.1 | F12 | P10-F12 HydrophobicContact CG-CE2 3.94Å; P10-F12 HydrophobicContact CG-CZ 4.35Å; P10-F12 WeakPolarHBondContact O-CD2 3.4Å |
| 11 | D | 46.8 | Very low | 44.4 | Very low | 133 Ų | 133 | 146.7 Ų | 146.7 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -81 | 143.9 | 174.3 | -170.1 | -1.9 | 0 | 0 | 0 | 111.3 | S13 | D11-S13 VanDerWaalsContact OD1-CB 3.25Å; D11-S13 WeakPolarHBondContact OD1-CB 3.38Å; D11-S13 PolarHBondContact OD1-N 3.22Å; D11-S13 PolarHBondContact OD1-OG 3.28Å; D11-S13 PolarHBondContact OD2-OG 3.41Å |
| 12 | F | 54.3 | Low | 44.6 | Very low | 181 Ų | 181 | 140.6 Ų | 140.6 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -122.7 | 19.2 | -177.9 | -74.5 | -81.4 | 0 | 0 | 0 | 112.9 | P10 C14 | P10-F12 HydrophobicContact CG-CE2 3.94Å; P10-F12 HydrophobicContact CG-CZ 4.35Å; P10-F12 WeakPolarHBondContact O-CD2 3.4Å; F12-C14 PolarHBondContact O-N 3.43Å | ||
| 13 | S | 42.6 | Very low | 44.8 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | trans | -68.6 | 30.5 | -174.4 | 55.6 | 0 | 0 | 0 | 0 | 117.1 | D11 | D11-S13 VanDerWaalsContact OD1-CB 3.25Å; D11-S13 WeakPolarHBondContact OD1-CB 3.38Å; D11-S13 PolarHBondContact OD1-N 3.22Å; D11-S13 PolarHBondContact OD1-OG 3.28Å; D11-S13 PolarHBondContact OD2-OG 3.41Å | ||
| 14 | C | 44.1 | Very low | 44.7 | Very low | 114 Ų | 114 | 137 Ų | 137 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | -127.3 | 104.2 | 175.7 | -79.8 | 0 | 0 | 0 | 0 | 111.9 | F12 | F12-C14 PolarHBondContact O-N 3.43Š| ||
| 15 | P | 51.7 | Low | 44.2 | Very low | 117 Ų | 117 | 139 Ų | 139 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 148.4 | 177 | 31 | -34.5 | 0 | 0 | 0 | 112.5 | ||
| 16 | P | 49.7 | Very low | 44 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 148.8 | 176.3 | 31.2 | -35 | 0 | 0 | 0 | 112.1 | ||
| 17 | P | 41.3 | Very low | 43.3 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 130.8 | 176.4 | 29.6 | -33.9 | 0 | 0 | 0 | 111.8 | ||
| 18 | N | 36.3 | Very low | 43.3 | Very low | 154 Ų | 154 | 133.1 Ų | 133.1 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 139.1 | -179.2 | -73.5 | -38.6 | 0 | 0 | 0 | 113 | ||
| 19 | F | 44.1 | Very low | 42.2 | Very low | 212 Ų | 212 | 137 Ų | 137 | 93% | 0.93 | 78% | 0.775 | S | S | * | * | trans | -91.2 | 98.5 | 174.4 | -84.7 | -99.4 | 0 | 0 | 0 | 111.8 | ||||
| 20 | S | 35.2 | Very low | 41.3 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | -162.1 | 145.9 | 166.7 | 48.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 21 | C | 32.9 | Very low | 40.4 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | trans | 87.9 | 153.6 | 170.3 | -63.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 22 | P | 41.8 | Very low | 39.8 | Very low | 116 Ų | 116 | 143 Ų | 143 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | -109.4 | 176.4 | -145.8 | 42.5 | -35.3 | 0 | 0 | 0 | 115.6 | ||||
| 23 | P | 43.3 | Very low | 38.8 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -101.9 | 158.6 | -157.5 | 38.3 | -36 | 0 | 0 | 0 | 116.6 | ||||
| 24 | P | 35.6 | Very low | 38.4 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | -105.9 | 115.6 | 157.4 | 34.5 | -25.3 | 0 | 0 | 0 | 113 | ||||
| 25 | N | 35.5 | Very low | 37.9 | Very low | 148 Ų | 148 | 150.1 Ų | 150.1 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | 12.9 | 128.8 | 155.4 | -64.6 | -31.6 | 0 | 0 | 0 | 122.6 | ||||
| 26 | F | 37.8 | Very low | 36.9 | Very low | 175 Ų | 175 | 150 Ų | 150 | 77% | 0.768 | 81% | 0.805 | S | S | * | * | trans | 44.2 | 107.9 | 134.7 | -89.5 | -101.1 | 0 | 0 | 0 | 120.1 | ||||
| 27 | I | 34.3 | Very low | 36.2 | Very low | 178 Ų | 178 | 149.6 Ų | 149.6 | 91% | 0.913 | 81% | 0.805 | S | S | * | * | -143.2 | 147.5 | 127.1 | -98.4 | 147.5 | 0 | 0 | 0 | 107.5 | |||||
| 28 | Q | 40.6 | Very low | 36 | Very low | 163 Ų | 163 | 149.9 Ų | 149.9 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | -125.2 | 121.4 | -165 | -172 | -176.3 | 106.1 | 0 | 0 | 110.2 | ||||
| 29 | Q | 33.7 | Very low | 35.8 | Very low | 190 Ų | 190 | 150.5 Ų | 150.5 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -162.9 | 167.9 | 163.2 | -107.5 | -171.5 | 44.9 | 0 | 0 | 110.6 | ||||
| 30 | P | 36.6 | Very low | 35.5 | Very low | 112 Ų | 112 | 146.8 Ų | 146.8 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -90.5 | 159.5 | -134.3 | 33.6 | -39.7 | 0 | 0 | 0 | 118.1 | Q32 | P30-Q32 PolarHBondContact O-N 2.85Š| ||
| 31 | Q | 30.8 | Very low | 35.5 | Very low | 181 Ų | 181 | 147.4 Ų | 147.4 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -67.7 | 112.6 | -179.7 | -173.7 | 179.3 | 39.1 | 0 | 0 | 113.1 | ||||
| 32 | Q | 33.6 | Very low | 35.9 | Very low | 183 Ų | 183 | 145 Ų | 145 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 133 | 161.9 | -69.2 | -94.9 | -8.8 | 0 | 0 | 109.1 | P30 | P30-Q32 PolarHBondContact O-N 2.85Š|
| 33 | Q | 34.1 | Very low | 35.8 | Very low | 165 Ų | 165 | 145.6 Ų | 145.6 | 77% | 0.771 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 146.5 | 175.5 | -72 | -168.8 | -8.4 | 0 | 0 | 111.9 | ||
| 34 | P | 34.3 | Very low | 35.6 | Very low | 121 Ų | 121 | 150.7 Ų | 150.7 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -66 | 140.3 | 173.8 | 28.8 | -34.5 | 0 | 0 | 0 | 110.8 | S36 | P34-S36 PolarHBondContact O-N 3.41Š|
| 35 | R | 32.3 | Very low | 35.8 | Very low | 249 Ų | 249 | 148.8 Ų | 148.8 | 94% | 0.94 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 118.5 | -178.4 | -64.6 | -178.8 | -179.7 | -177.9 | 0.3 | 110.5 | ||
| 36 | S | 30.4 | Very low | 35.9 | Very low | 114 Ų | 114 | 153.6 Ų | 153.6 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 142.4 | 174.9 | 47.3 | 0 | 0 | 0 | 0 | 111.9 | P34 | P34-S36 PolarHBondContact O-N 3.41Š|
| 37 | S | 35.8 | Very low | 36.2 | Very low | 96 Ų | 96 | 147.8 Ų | 147.8 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 136.8 | 169.3 | 179 | 0 | 0 | 0 | 0 | 110.1 | F39 | S37-F39 PolarHBondContact O-N 3.29Š|
| 38 | S | 38 | Very low | 36.1 | Very low | 122 Ų | 122 | 147.9 Ų | 147.9 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -79 | 24.8 | -177.8 | 51.1 | 0 | 0 | 0 | 0 | 114.5 | ||
| 39 | F | 31 | Very low | 35.7 | Very low | 168 Ų | 168 | 145.8 Ų | 145.8 | 74% | 0.737 | 76% | 0.756 | S | S | * | * | trans | -92.8 | 118.3 | 173.8 | -106.2 | -97.3 | 0 | 0 | 0 | 110.8 | S37 | S37-F39 PolarHBondContact O-N 3.29Š| ||
| 40 | H | 37.1 | Very low | 35.5 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 62% | 0.616 | 75% | 0.752 | S | S | * | * | trans | -115.1 | 135.5 | -177.6 | -125.8 | -78.3 | 0 | 0 | 0 | 111.5 | S42 M43 | H40-S42 PolarHBondContact O-N 3.12Å; H40-M43 WeakPolarHBondContact O-CG 3.5Å; H40-M43 PolarHBondContact O-N 2.87Å | ||
| 41 | P | 35.2 | Very low | 35.1 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -57.7 | -21.9 | 179.5 | -28.8 | 36.3 | 0 | 0 | 0 | 115.6 | M43 W44 | P41-M43 PolarHBondContact O-N 2.88Å; P41-W44 PolarHBondContact O-N 3.35Å; P41-W44 VanDerWaalsContact O-N 3.09Å |
| 42 | S | 42.3 | Very low | 35 | Very low | 77 Ų | 77 | 146.9 Ų | 146.9 | 54% | 0.538 | 76% | 0.76 | S | S | . | * | G | 310 helix | trans | -58.4 | -17.4 | 178 | 58.4 | 0 | 0 | 0 | 0 | 114 | H40 W44 S45 | H40-S42 PolarHBondContact O-N 3.12Å; S42-W44 PolarHBondContact O-N 2.92Å; S42-S45 PolarHBondContact O-N 3.32Å; S42-S45 PolarHBondContact O-OG 3.14Å |
| 43 | M | 38.8 | Very low | 34.9 | Very low | 129 Ų | 129 | 143.5 Ų | 143.5 | 64% | 0.635 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -63.3 | -16.6 | 173.8 | -63.5 | -176.6 | 74.7 | 0 | 0 | 114.4 | H40 P41 | H40-M43 WeakPolarHBondContact O-CG 3.5Å; H40-M43 PolarHBondContact O-N 2.87Å; P41-M43 PolarHBondContact O-N 2.88Å |
| 44 | W | 40.1 | Very low | 34.6 | Very low | 225 Ų | 225 | 141.2 Ų | 141.2 | 85% | 0.852 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -108.8 | 8.3 | 179.5 | -71.5 | -9.7 | 0 | 0 | 0 | 115.1 | P41 S42 W46 | P41-W44 PolarHBondContact O-N 3.35Å; P41-W44 VanDerWaalsContact O-N 3.09Å; S42-W44 PolarHBondContact O-N 2.92Å; W44-W46 VanDerWaalsContact O-CD1 3.27Å; W44-W46 PolarHBondContact O-N 3.42Å |
| 45 | S | 38.9 | Very low | 34.4 | Very low | 81 Ų | 81 | 147.7 Ų | 147.7 | 57% | 0.566 | 77% | 0.765 | S | S | * | * | trans | -68.3 | 98 | 179.4 | 55.7 | 0 | 0 | 0 | 0 | 113.3 | S42 G47 | S42-S45 PolarHBondContact O-N 3.32Å; S42-S45 PolarHBondContact O-OG 3.14Å; S45-G47 PolarHBondContact O-N 3.16Å | ||
| 46 | W | 38.3 | Very low | 34.1 | Very low | 249 Ų | 249 | 138.9 Ų | 138.9 | 94% | 0.943 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 49.6 | 174.5 | -74.1 | 94.7 | 0 | 0 | 0 | 113 | W44 | W44-W46 VanDerWaalsContact O-CD1 3.27Å; W44-W46 PolarHBondContact O-N 3.42Å |
| 47 | G | 43.4 | Very low | 34 | Very low | 53 Ų | 53 | 143.2 Ų | 143.2 | 55% | 0.546 | 76% | 0.759 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -159.9 | 0.8 | -165.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | S45 | S45-G47 PolarHBondContact O-N 3.16Š|
| 48 | Q | 32.2 | Very low | 33.6 | Very low | 180 Ų | 180 | 142.8 Ų | 142.8 | 84% | 0.841 | 77% | 0.77 | S | S | * | * | trans | -155.1 | 137.5 | 173 | -105.2 | 129.1 | 97.7 | 0 | 0 | 113.7 | ||||
| 49 | T | 32.2 | Very low | 33 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 127 | 164.7 | 47.9 | 0 | 0 | 0 | 0 | 109.2 | F51 | T49-F51 PolarHBondContact O-N 3.46Š|
| 50 | P | 29.6 | Very low | 32.9 | Very low | 121 Ų | 121 | 142.6 Ų | 142.6 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 131.5 | 176.7 | -24.3 | 34 | 0 | 0 | 0 | 111.8 | ||
| 51 | F | 28.7 | Very low | 32.6 | Very low | 201 Ų | 201 | 147.3 Ų | 147.3 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 135.4 | 162.9 | -97.9 | -97.2 | 0 | 0 | 0 | 109.2 | T49 P53 | T49-F51 PolarHBondContact O-N 3.46Å; F51-P53 WeakPolarHBondContact O-CD 3.48Å |
| 52 | E | 29.6 | Very low | 32.3 | Very low | 184 Ų | 184 | 151.1 Ų | 151.1 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 122.2 | -178.8 | -165.7 | 167.8 | -138.6 | 0 | 0 | 109.7 | S54 | E52-S54 PolarHBondContact O-N 3.24Å; E52-S54 VanDerWaalsContact O-N 3.15Å |
| 53 | P | 31.5 | Very low | 31.6 | Very low | 111 Ų | 111 | 151 Ų | 151 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | trans | -66.1 | 114.4 | -179.1 | -23.3 | 35.1 | 0 | 0 | 0 | 111.8 | F51 W55 | F51-P53 WeakPolarHBondContact O-CD 3.48Å; P53-W55 PolarHBondContact O-N 3.3Å; P53-W55 VanDerWaalsContact O-N 3.16Å | ||
| 54 | S | 26.9 | Very low | 31.1 | Very low | 118 Ų | 118 | 153.5 Ų | 153.5 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -68.1 | 110.7 | 172.4 | -179.7 | 0 | 0 | 0 | 0 | 109.9 | E52 G56 | E52-S54 PolarHBondContact O-N 3.24Å; E52-S54 VanDerWaalsContact O-N 3.15Å; S54-G56 PolarHBondContact O-N 2.96Å | ||
| 55 | W | 30 | Very low | 30.5 | Very low | 256 Ų | 256 | 150.1 Ų | 150.1 | 97% | 0.97 | 80% | 0.804 | S | S | * | * | trans | -56.5 | 120 | 175 | -72.8 | 82.7 | 0 | 0 | 0 | 111 | P53 | P53-W55 PolarHBondContact O-N 3.3Å; P53-W55 VanDerWaalsContact O-N 3.16Å | ||
| 56 | G | 25.8 | Very low | 30.1 | Very low | 65 Ų | 65 | 153.4 Ų | 153.4 | 67% | 0.67 | 82% | 0.815 | S | S | * | * | trans | -161.1 | 92.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S54 | S54-G56 PolarHBondContact O-N 2.96Š| ||
| 57 | Q | 28.1 | Very low | 29.7 | Very low | 205 Ų | 205 | 145.2 Ų | 145.2 | 96% | 0.958 | 81% | 0.808 | S | S | * | * | trans | 54.5 | 88.8 | 152.5 | -63 | 172.2 | -10.5 | 0 | 0 | 117.2 | ||||
| 58 | G | 28 | Very low | 29.4 | Very low | 86 Ų | 86 | 149.1 Ų | 149.1 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | trans | -75.7 | 155 | 157.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 59 | G | 26.4 | Very low | 29.4 | Very low | 68 Ų | 68 | 144.6 Ų | 144.6 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | trans | -114.1 | 137.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 60 | Y | 28.6 | Very low | 29.5 | Very low | 218 Ų | 218 | 150 Ų | 150 | 86% | 0.855 | 83% | 0.826 | S | S | * | * | trans | 29.1 | 122.1 | 153.7 | -63 | -82.5 | 0 | 0 | 0 | 121.6 | ||||
| 61 | Y | 29.1 | Very low | 29.7 | Very low | 233 Ų | 233 | 155.1 Ų | 155.1 | 91% | 0.914 | 83% | 0.831 | S | S | * | * | trans | -136.3 | 163.3 | 131.3 | -96.6 | -82.3 | 0 | 0 | 0 | 109.7 | ||||
| 62 | H | 29.3 | Very low | 29.8 | Very low | 194 Ų | 194 | 149 Ų | 149 | 90% | 0.898 | 83% | 0.825 | S | S | * | * | trans | -82.5 | 155.4 | -166.7 | -79.2 | -110.3 | 0 | 0 | 0 | 115.1 | ||||
| 63 | G | 27.8 | Very low | 30.3 | Very low | 73 Ų | 73 | 146.7 Ų | 146.7 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | trans | -174.7 | 51.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 64 | Q | 28.3 | Very low | 30.8 | Very low | 183 Ų | 183 | 150.7 Ų | 150.7 | 86% | 0.855 | 83% | 0.831 | S | S | * | * | trans | 55.1 | 159.7 | 156 | -65.8 | -158.5 | 88.9 | 0 | 0 | 123.6 | ||||
| 65 | E | 27.3 | Very low | 31.2 | Very low | 154 Ų | 154 | 150.4 Ų | 150.4 | 72% | 0.72 | 83% | 0.827 | S | S | * | * | trans | 75.1 | 115.3 | 157.5 | -76.1 | 178.3 | -124.1 | 0 | 0 | 123.8 | ||||
| 66 | N | 31.9 | Very low | 31.3 | Very low | 150 Ų | 150 | 146.1 Ų | 146.1 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | trans | 66.7 | 107.5 | 136 | -57.6 | -33.9 | 0 | 0 | 0 | 122 | ||||
| 67 | G | 28.2 | Very low | 31.4 | Very low | 76 Ų | 76 | 150.7 Ų | 150.7 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | trans | 165.8 | 132.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 68 | P | 38.8 | Very low | 31.5 | Very low | 136 Ų | 136 | 146 Ų | 146 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -91.9 | 159.9 | -167.7 | 35.1 | -36.3 | 0 | 0 | 0 | 117.2 | ||||
| 69 | A | 31.5 | Very low | 31.8 | Very low | 85 Ų | 85 | 149 Ų | 149 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | trans | -56.4 | 163.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 70 | Y | 33.8 | Very low | 32 | Very low | 234 Ų | 234 | 153.4 Ų | 153.4 | 92% | 0.918 | 79% | 0.794 | S | S | * | * | trans | -151.7 | 164.3 | 138.2 | -107.1 | -74.1 | 0 | 0 | 0 | 111.9 | ||||
| 71 | Y | 33.7 | Very low | 32.1 | Very low | 228 Ų | 228 | 152.4 Ų | 152.4 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | trans | -87.3 | 157.6 | -165.2 | -84.2 | -118.8 | 0 | 0 | 0 | 115.8 | ||||
| 72 | G | 31.2 | Very low | 32.1 | Very low | 73 Ų | 73 | 144.9 Ų | 144.9 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | 164.1 | 115.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 73 | P | 41.1 | Very low | 32.4 | Very low | 135 Ų | 135 | 139.3 Ų | 139.3 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | -98 | 168.6 | -173.1 | 37.4 | -36 | 0 | 0 | 0 | 116.4 | ||||
| 74 | K | 40.3 | Very low | 32.4 | Very low | 194 Ų | 194 | 145 Ų | 145 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | -97.3 | 158.6 | 174.4 | -55.7 | 172.9 | -177.7 | 172.4 | 0 | 112.9 | ||||
| 75 | P | 36.6 | Very low | 32.5 | Very low | 113 Ų | 113 | 147.5 Ų | 147.5 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -123.4 | 163.4 | 134.3 | 40.8 | -32.3 | 0 | 0 | 0 | 110.5 | ||||
| 76 | Q | 31.4 | Very low | 32.8 | Very low | 165 Ų | 165 | 146.7 Ų | 146.7 | 77% | 0.771 | 80% | 0.802 | S | S | * | * | cis | 75.5 | 144.5 | 25.6 | -52.3 | -164.6 | 100.8 | 0 | 0 | 112.9 | ||||
| 77 | F | 28.7 | Very low | 32.9 | Very low | 162 Ų | 162 | 148.6 Ų | 148.6 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | cis | -161.6 | 161.8 | -0.2 | -151.2 | -115.9 | 0 | 0 | 0 | 106.7 | ||||
| 78 | N | 29.1 | Very low | 33.2 | Very low | 107 Ų | 107 | 150 Ų | 150 | 57% | 0.572 | 81% | 0.81 | S | S | * | * | cis | -174.5 | -179.8 | -30.4 | -175.7 | 15.8 | 0 | 0 | 0 | 107.4 | ||||
| 79 | Q | 34.3 | Very low | 32.8 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 70% | 0.696 | 81% | 0.808 | S | S | * | * | trans | 79 | 149.7 | 170.1 | -43.4 | 167.4 | 105.2 | 0 | 0 | 114.3 | ||||
| 80 | H | 30.5 | Very low | 32.8 | Very low | 159 Ų | 159 | 149.2 Ų | 149.2 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | cis | 67.9 | 142.6 | 27.4 | -70.8 | 79.1 | 0 | 0 | 0 | 114.4 | ||||
| 81 | F | 31.7 | Very low | 33.3 | Very low | 197 Ų | 197 | 144.3 Ų | 144.3 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | cis | -116 | 166.4 | -6.5 | -95 | -94.8 | 0 | 0 | 0 | 109.7 | ||||
| 82 | G | 29.6 | Very low | 33.6 | Very low | 75 Ų | 75 | 137.5 Ų | 137.5 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | 132.4 | 173.2 | 83.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 83 | G | 34.3 | Very low | 33.7 | Very low | 77 Ų | 77 | 137.4 Ų | 137.4 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -178.7 | 156.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 84 | E | 29.4 | Very low | 33.5 | Very low | 194 Ų | 194 | 142.5 Ų | 142.5 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | trans | -153.2 | 178 | 178.7 | -133.9 | 155.2 | -145.9 | 0 | 0 | 111.7 | ||||
| 85 | W | 29.3 | Very low | 33.3 | Very low | 234 Ų | 234 | 141 Ų | 141 | 89% | 0.886 | 81% | 0.808 | S | S | * | * | trans | -116.5 | 151.4 | -155.2 | -59.4 | 67.8 | 0 | 0 | 0 | 114.1 | ||||
| 86 | C | 32.8 | Very low | 33.3 | Very low | 138 Ų | 138 | 143 Ų | 143 | 93% | 0.932 | 81% | 0.813 | S | S | * | * | -171.9 | 172.2 | 129 | -110.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 87 | Q | 35.4 | Very low | 33.6 | Very low | 189 Ų | 189 | 145 Ų | 145 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | -111.4 | 150.3 | -168.2 | -62.3 | 172.1 | -18.9 | 0 | 0 | 113.7 | ||||
| 88 | A | 33.4 | Very low | 34.1 | Very low | 107 Ų | 107 | 147.5 Ų | 147.5 | 88% | 0.884 | 82% | 0.819 | S | S | * | * | trans | -160.3 | 144.5 | 154.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 89 | G | 31.6 | Very low | 34.9 | Very low | 82 Ų | 82 | 146.8 Ų | 146.8 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | 93.9 | 101 | 160.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 90 | S | 30.9 | Very low | 35.3 | Very low | 122 Ų | 122 | 145 Ų | 145 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | trans | -92.8 | -178.5 | 160.1 | -51.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 91 | P | 45 | Very low | 35.9 | Very low | 130 Ų | 130 | 147.8 Ų | 147.8 | 84% | 0.844 | 83% | 0.827 | S | S | * | * | cis | -130.4 | 177.6 | -8.7 | 40.9 | -25.6 | 0 | 0 | 0 | 114.2 | ||||
| 92 | G | 39 | Very low | 36.9 | Very low | 86 Ų | 86 | 146.6 Ų | 146.6 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | trans | 111.2 | 76.8 | 154 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 93 | G | 33.5 | Very low | 37.5 | Very low | 70 Ų | 70 | 146.1 Ų | 146.1 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | trans | -154.1 | 133.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q95 | G93-Q95 PolarHBondContact O-N 3.02Š| ||
| 94 | R | 36.2 | Very low | 38.3 | Very low | 242 Ų | 242 | 151.9 Ų | 151.9 | 91% | 0.913 | 82% | 0.823 | S | S | * | * | trans | -67.7 | 132.6 | -179.3 | -68.2 | -171.4 | -171 | -97.5 | 3.9 | 110.6 | N96 | R94-N96 PolarHBondContact O-N 2.95Å; R94-N96 VanDerWaalsContact O-N 3.12Å | ||
| 95 | Q | 36.9 | Very low | 39.5 | Very low | 162 Ų | 162 | 151.8 Ų | 151.8 | 76% | 0.757 | 82% | 0.82 | S | S | * | * | trans | -74.4 | 99.9 | -175.8 | -61.5 | 175.8 | 14 | 0 | 0 | 111.5 | G93 Y97 | G93-Q95 PolarHBondContact O-N 3.02Å; Q95-Y97 HydrophobicContact CB-CD2 4.18Å; Q95-Y97 HydrophobicContact CB-CE2 4.46Å | ||
| 96 | N | 35.9 | Very low | 40.9 | Very low | 157 Ų | 157 | 148.9 Ų | 148.9 | 84% | 0.84 | 82% | 0.816 | S | S | * | * | trans | -98 | 77.7 | 165.9 | -82.6 | -42.6 | 0 | 0 | 0 | 109.7 | R94 R98 | R94-N96 PolarHBondContact O-N 2.95Å; R94-N96 VanDerWaalsContact O-N 3.12Å; N96-R98 PolarHBondContact O-N 3.1Å | ||
| 97 | Y | 38.3 | Very low | 42 | Very low | 205 Ų | 205 | 153.1 Ų | 153.1 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -70.3 | 77.2 | 173.3 | -90 | -76.8 | 0 | 0 | 0 | 111.3 | Q95 P99 | Q95-Y97 HydrophobicContact CB-CD2 4.18Å; Q95-Y97 HydrophobicContact CB-CE2 4.46Å; Y97-P99 WeakPolarHBondContact O-CD 3.5Å | ||
| 98 | R | 39.4 | Very low | 43 | Very low | 216 Ų | 216 | 151.1 Ų | 151.1 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | trans | -90.6 | 110.1 | 157.5 | -173.1 | 178.3 | -170.9 | 174.2 | 4.9 | 107.4 | N96 | N96-R98 PolarHBondContact O-N 3.1Š| ||
| 99 | P | 44.7 | Very low | 44.4 | Very low | 91 Ų | 91 | 157.1 Ų | 157.1 | 59% | 0.591 | 81% | 0.808 | S | S | * | * | trans | -56.6 | 133.8 | 178.3 | -25.3 | 34.8 | 0 | 0 | 0 | 110.4 | Y97 Y101 | Y97-P99 WeakPolarHBondContact O-CD 3.5Å; P99-Y101 PolarHBondContact O-N 3.13Å | ||
| 100 | P | 43.4 | Very low | 46.1 | Very low | 113 Ų | 113 | 162.9 Ų | 162.9 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | -63.4 | 113.1 | 172.9 | 25.8 | -32 | 0 | 0 | 0 | 107.9 | Q102 | P100-Q102 PolarHBondContact O-N 3.14Š| ||
| 101 | Y | 42.8 | Very low | 47.3 | Very low | 216 Ų | 216 | 165.4 Ų | 165.4 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | trans | -65.1 | 86.5 | 173.8 | -95.5 | -110.1 | 0 | 0 | 0 | 108.7 | P99 G103 | P99-Y101 PolarHBondContact O-N 3.13Å; Y101-G103 VanDerWaalsContact C-N 3.29Å; Y101-G103 PolarHBondContact O-N 3Å | ||
| 102 | Q | 52.2 | Low | 48.2 | Very low | 172 Ų | 172 | 162.4 Ų | 162.4 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -60.9 | 98.9 | 163.5 | -69.2 | -169.7 | 6 | 0 | 0 | 106.7 | P100 K104 | P100-Q102 PolarHBondContact O-N 3.14Å; Q102-K104 PolarHBondContact O-N 2.78Å | ||
| 103 | G | 42.4 | Very low | 49.8 | Very low | 66 Ų | 66 | 166.8 Ų | 166.8 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | trans | -58 | 101.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | Y101 K105 | Y101-G103 VanDerWaalsContact C-N 3.29Å; Y101-G103 PolarHBondContact O-N 3Å; G103-K105 VanDerWaalsContact C-N 3.3Å; G103-K105 PolarHBondContact O-N 2.98Å | ||
| 104 | K | 51.9 | Low | 51.6 | Low | 197 Ų | 197 | 167.7 Ų | 167.7 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | trans | -59.9 | 96 | 178.5 | -70.5 | -178.7 | 179.3 | 177.1 | 0 | 107.2 | Q102 Q106 | Q102-K104 PolarHBondContact O-N 2.78Å; K104-Q106 PolarHBondContact O-N 2.82Å | ||
| 105 | K | 55.1 | Low | 53.5 | Low | 193 Ų | 193 | 160 Ų | 160 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | trans | -50.9 | 114.5 | 169.5 | -74.3 | -175.2 | 177.4 | -179.3 | 0 | 105.7 | G103 R107 | G103-K105 VanDerWaalsContact C-N 3.3Å; G103-K105 PolarHBondContact O-N 2.98Å; K105-R107 VanDerWaalsContact C-N 3.29Å; K105-R107 PolarHBondContact O-N 3Å | ||
| 106 | Q | 57.4 | Low | 55.6 | Low | 172 Ų | 172 | 154.2 Ų | 154.2 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | -55.8 | 100.6 | 170.9 | -70.2 | -78.3 | -3.8 | 0 | 0 | 105.5 | K104 N108 | K104-Q106 PolarHBondContact O-N 2.82Å; Q106-N108 VanDerWaalsContact C-N 3.31Å; Q106-N108 PolarHBondContact O-N 2.85Å; Q106-N108 PolarHBondContact O-OD1 2.78Å | ||
| 107 | R | 56.8 | Low | 58.1 | Low | 227 Ų | 227 | 151.7 Ų | 151.7 | 86% | 0.857 | 71% | 0.708 | S | S | * | * | trans | -68.3 | 102.5 | 168.8 | -82.9 | -169.3 | 174.9 | -166 | -0.3 | 104 | K105 R109 | K105-R107 VanDerWaalsContact C-N 3.29Å; K105-R107 PolarHBondContact O-N 3Å; R107-R109 VanDerWaalsContact C-N 3.29Å; R107-R109 PolarHBondContact O-N 2.65Å | ||
| 108 | N | 56.8 | Low | 60.5 | Low | 147 Ų | 147 | 142.2 Ų | 142.2 | 79% | 0.786 | 67% | 0.672 | S | S | * | * | trans | -49.8 | 99.5 | 173.3 | -65.6 | 0.2 | 0 | 0 | 0 | 107.4 | Q106 K110 | Q106-N108 VanDerWaalsContact C-N 3.31Å; Q106-N108 PolarHBondContact O-N 2.85Å; Q106-N108 PolarHBondContact O-OD1 2.78Å; N108-K110 PolarHBondContact O-N 2.69Å; N108-K110 VanDerWaalsContact O-N 3.08Å | ||
| 109 | R | 62.3 | Low | 62.7 | Low | 234 Ų | 234 | 138.1 Ų | 138.1 | 88% | 0.883 | 67% | 0.666 | S | S | * | * | trans | -67.6 | 111.4 | 173 | -69.9 | -177.3 | 175.3 | -169.4 | -2.8 | 103.6 | R107 E111 | R107-R109 VanDerWaalsContact C-N 3.29Å; R107-R109 PolarHBondContact O-N 2.65Å; R109-E111 PolarHBondContact O-N 2.77Å; R109-E111 VanDerWaalsContact O-N 3.11Å | ||
| 110 | K | 66.8 | Low | 64.6 | Low | 202 Ų | 202 | 136.9 Ų | 136.9 | 88% | 0.878 | 66% | 0.657 | S | S | * | * | trans | -45.9 | 124.8 | 174 | -67.8 | -173.5 | 175.6 | -170.9 | 0 | 107.1 | N108 | N108-K110 PolarHBondContact O-N 2.69Å; N108-K110 VanDerWaalsContact O-N 3.08Å | ||
| 111 | E | 56.8 | Low | 66.6 | Low | 176 Ų | 176 | 132.1 Ų | 132.1 | 82% | 0.822 | 63% | 0.626 | S | S | * | * | trans | -57.8 | 127.2 | 179.1 | -66.3 | -176 | 149.7 | 0 | 0 | 107 | R109 E113 | R109-E111 PolarHBondContact O-N 2.77Å; R109-E111 VanDerWaalsContact O-N 3.11Å; E111-E113 PolarHBondContact O-N 3.36Å | ||
| 112 | P | 63.7 | Low | 68.6 | Low | 66 Ų | 66 | 127.8 Ų | 127.8 | 43% | 0.429 | 62% | 0.618 | S | S | . | * | trans | -67.6 | 123.3 | -178.5 | 27.9 | -32.5 | 0 | 0 | 0 | 107.7 | I114 K126 | P112-I114 PolarHBondContact O-N 2.81Å; P112-K126 HydrophobicContact CB-CD 3.8Å; P112-K126 HydrophobicContact CB-CG 4.47Å; P112-K126 VanDerWaalsContact CB-NZ 3.33Å; P112-K126 HydrophobicContact CG-CD 4.47Å | ||
| 113 | E | 72.4 | Confident | 70.1 | Confident | 178 Ų | 178 | 124.4 Ų | 124.4 | 83% | 0.832 | 60% | 0.598 | S | S | * | * | trans | -57.1 | 108.4 | 175.6 | -72.6 | 160.1 | -151.8 | 0 | 0 | 108.9 | E111 S115 | E111-E113 PolarHBondContact O-N 3.36Å; E113-S115 PolarHBondContact O-N 2.77Å | ||
| 114 | I | 70.4 | Confident | 72.2 | Confident | 89 Ų | 89 | 123 Ų | 123 | 46% | 0.456 | 58% | 0.583 | S | S | . | * | trans | -90.2 | 94.2 | 174.5 | -75.3 | 166.9 | 0 | 0 | 0 | 105.2 | P112 K126 | P112-I114 PolarHBondContact O-N 2.81Å; I114-K126 HydrophobicContact CG1-CG 4.45Å | ||
| 115 | S | 76.1 | Confident | 73.8 | Confident | 80 Ų | 80 | 115.5 Ų | 115.5 | 56% | 0.559 | 55% | 0.55 | S | S | * | * | trans | -80.1 | -16.9 | -179.2 | 47.5 | 0 | 0 | 0 | 0 | 113.3 | E113 | E113-S115 PolarHBondContact O-N 2.77Š| ||
| 116 | H | 82.8 | Confident | 75.3 | Confident | 41 Ų | 41 | 112.3 Ų | 112.3 | 19% | 0.19 | 54% | 0.536 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 120.4 | -176.1 | -45.1 | -74.7 | 0 | 0 | 0 | 110.2 | F125 N127 Q128 Y131 | H116-F125 PolarHBondContact N-O 3.24Å; H116-F125 PolarHBondContact O-N 3.45Å; H116-N127 VanDerWaalsContact CD2-C 3.48Å; H116-Q128 PolarHBondContact CD2-N 2.93Å; H116-Q128 PolarHBondContact CE1-OE1 3.19Å; H116-Q128 PolarHBondContact ND1-OE1 2.99Å; H116-Q128 PolarHBondContact NE2-N 2.96Å; H116-Y131 HydrophobicContact CB-CD2 3.99Å; H116-Y131 HydrophobicContact CB-CG 3.81Å |
| 117 | Y | 87.3 | Confident | 76.8 | Confident | 105 Ų | 105 | 107.9 Ų | 107.9 | 41% | 0.412 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 140.3 | -176.2 | -174.6 | -97.9 | 0 | 0 | 0 | 110.8 | D119 D122 R123 Y131 | Y117-D119 WeakPolarHBondContact CD1-OD1 3.38Å; Y117-D119 WeakPolarHBondContact CE1-OD1 3.35Å; Y117-D122 WeakPolarHBondContact OH-CA 3.46Å; Y117-D122 PolarHBondContact OH-OD1 3.05Å; Y117-R123 WeakPolarHBondContact CA-O 3.42Å; Y117-Y131 VanDerWaalsContact O-CE2 3.24Å; Y117-Y131 WeakPolarHBondContact O-CE2 3.44Å |
| 118 | C | 88.5 | Confident | 78.2 | Confident | 5 Ų | 5 | 101.2 Ų | 101.2 | 3% | 0.034 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 102.1 | -179 | -178.4 | 0 | 0 | 0 | 0 | 111 | T120 C121 D122 R123 Y131 H134 H138 | C118-T120 VanDerWaalsContact C-N 3.34Å; C118-T120 PolarHBondContact O-N 3.05Å; C118-C121 PolarHBondContact O-N 3.28Å; C118-C121 VanDerWaalsContact O-N 3.15Å; C118-D122 PolarHBondContact O-N 3.06Å; C118-R123 PolarHBondContact N-O 3.47Å; C118-R123 PolarHBondContact O-N 3.44Å; C118-Y131 HydrophobicContact CB-CD2 4.23Å; C118-Y131 HydrophobicContact CB-CE2 3.83Å; C118-H134 PolarHBondContact SG-NE2 3.24Å; C118-H138 PolarHBondContact SG-CE1 3.37Å; C118-H138 PolarHBondContact SG-NE2 3.42Å; C118-H138 VanDerWaalsContact SG-NE2 3.39Å |
| 119 | D | 85.6 | Confident | 79.7 | Confident | 131 Ų | 131 | 100.8 Ų | 100.8 | 70% | 0.701 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -35.7 | -176.3 | -58.7 | -54.9 | 0 | 0 | 0 | 113.6 | Y117 C121 | Y117-D119 WeakPolarHBondContact CD1-OD1 3.38Å; Y117-D119 WeakPolarHBondContact CE1-OD1 3.35Å; D119-C121 PolarHBondContact O-N 2.76Å; D119-C121 VanDerWaalsContact O-N 3.17Å |
| 120 | T | 84.9 | Confident | 80.9 | Confident | 65 Ų | 65 | 95 Ų | 95 | 40% | 0.399 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -7.6 | -179.3 | 70.3 | 0 | 0 | 0 | 0 | 113.8 | C118 H138 M149 L154 | C118-T120 VanDerWaalsContact C-N 3.34Å; C118-T120 PolarHBondContact O-N 3.05Å; T120-H138 PolarHBondContact OG1-CE1 3.3Å; T120-M149 WeakPolarHBondContact CB-O 3.39Å; T120-M149 PolarHBondContact OG1-O 3.08Å; T120-L154 WeakPolarHBondContact O-CD1 3.29Å |
| 121 | C | 85.5 | Confident | 81.9 | Confident | 12 Ų | 12 | 88.6 Ų | 88.6 | 8% | 0.081 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -133.5 | 0.4 | -174.4 | -67.4 | 0 | 0 | 0 | 0 | 114.1 | C118 D119 R123 H134 H151 L154 | C118-C121 PolarHBondContact O-N 3.28Å; C118-C121 VanDerWaalsContact O-N 3.15Å; D119-C121 PolarHBondContact O-N 2.76Å; D119-C121 VanDerWaalsContact O-N 3.17Å; C121-R123 VanDerWaalsContact C-N 3.28Å; C121-R123 HydrophobicContact CB-CG 4.46Å; C121-R123 WeakPolarHBondContact O-CG 3.47Å; C121-R123 PolarHBondContact O-N 3.32Å; C121-H134 VanDerWaalsContact CB-NE2 3.28Å; C121-H134 WeakPolarHBondContact CB-NE2 3.19Å; C121-H134 VanDerWaalsContact SG-CE1 3.57Å; C121-H151 PolarHBondContact SG-N 3.25Å; C121-H151 VanDerWaalsContact SG-N 3.45Å; C121-L154 HydrophobicContact CB-CD1 4.04Å |
| 122 | D | 85.2 | Confident | 83.4 | Confident | 126 Ų | 126 | 83.2 Ų | 83.2 | 67% | 0.674 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 41.5 | -172.7 | -71.4 | -42.4 | 0 | 0 | 0 | 114.4 | Y117 C118 | Y117-D122 WeakPolarHBondContact OH-CA 3.46Å; Y117-D122 PolarHBondContact OH-OD1 3.05Å; C118-D122 PolarHBondContact O-N 3.06Å |
| 123 | R | 82.9 | Confident | 84.7 | Confident | 101 Ų | 101 | 85.2 Ų | 85.2 | 38% | 0.381 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 125.9 | -174.3 | -76.8 | 170 | -166.9 | -168.6 | 3.8 | 113.6 | Y117 C118 C121 F125 | Y117-R123 WeakPolarHBondContact CA-O 3.42Å; C118-R123 PolarHBondContact N-O 3.47Å; C118-R123 PolarHBondContact O-N 3.44Å; C121-R123 VanDerWaalsContact C-N 3.28Å; C121-R123 HydrophobicContact CB-CG 4.46Å; C121-R123 WeakPolarHBondContact O-CG 3.47Å; C121-R123 PolarHBondContact O-N 3.32Å; R123-F125 HydrophobicContact CB-CD2 4.47Å; R123-F125 HydrophobicContact CB-CE2 3.49Å; R123-F125 VanDerWaalsContact CB-CE2 3.49Å; R123-F125 HydrophobicContact CB-CZ 3.73Å; R123-F125 HydrophobicContact CG-CZ 4.5Å; R123-F125 WeakPolarHBondContact O-CE2 3.23Å |
| 124 | G | 88.1 | Confident | 85.5 | Confident | 35 Ų | 35 | 77 Ų | 77 | 36% | 0.361 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 131.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 125 | F | 85.4 | Confident | 86.3 | Confident | 41 Ų | 41 | 75.3 Ų | 75.3 | 18% | 0.18 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 147.5 | 179.3 | -56.1 | -91.9 | 0 | 0 | 0 | 111 | H116 R123 K130 Y131 H134 | H116-F125 PolarHBondContact N-O 3.24Å; H116-F125 PolarHBondContact O-N 3.45Å; R123-F125 HydrophobicContact CB-CD2 4.47Å; R123-F125 HydrophobicContact CB-CE2 3.49Å; R123-F125 VanDerWaalsContact CB-CE2 3.49Å; R123-F125 HydrophobicContact CB-CZ 3.73Å; R123-F125 HydrophobicContact CG-CZ 4.5Å; R123-F125 WeakPolarHBondContact O-CE2 3.23Å; F125-K130 HydrophobicContact CB-CB 4.46Å; F125-K130 HydrophobicContact CD1-CB 3.95Å; F125-K130 WeakPolarHBondContact CD1-O 3.49Å; F125-K130 WeakPolarHBondContact CE1-O 3.4Å; F125-Y131 HydrophobicContact CD2-CD2 4.15Å; F125-H134 HydrophobicContact CE1-CB 3.95Å; F125-H134 HydrophobicContact CE2-CB 3.89Å; F125-H134 AromaticContact CE2-CD2 3.31Å; F125-H134 WeakPolarHBondContact CE2-CD2 3.38Å; F125-H134 AromaticContact CE2-CG 3.7Å; F125-H134 HydrophobicContact CZ-CB 3.42Å; F125-H134 VanDerWaalsContact CZ-CB 3.42Å; F125-H134 AromaticContact CZ-CD2 3.44Å; F125-H134 VanDerWaalsContact CZ-CD2 3.44Å; F125-H134 WeakPolarHBondContact CZ-CD2 3.36Å; F125-H134 AromaticContact CZ-CG 3.33Å |
| 126 | K | 84.8 | Confident | 86.9 | Confident | 125 Ų | 125 | 78.6 Ų | 78.6 | 54% | 0.543 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -95.6 | -5.9 | -178.1 | -50.8 | 179.5 | -169.7 | -174.5 | 0 | 113.6 | P112 I114 | P112-K126 HydrophobicContact CB-CD 3.8Å; P112-K126 HydrophobicContact CB-CG 4.47Å; P112-K126 VanDerWaalsContact CB-NZ 3.33Å; P112-K126 HydrophobicContact CG-CD 4.47Å; I114-K126 HydrophobicContact CG1-CG 4.45Å |
| 127 | N | 88.9 | Confident | 87.2 | Confident | 79 Ų | 79 | 81.1 Ų | 81.1 | 42% | 0.422 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -136.7 | 130.5 | -176 | -62.1 | 54.4 | 0 | 0 | 0 | 107.4 | H116 Q129 K130 Y131 | H116-N127 VanDerWaalsContact CD2-C 3.48Å; N127-Q129 VanDerWaalsContact C-N 3.3Å; N127-Q129 PolarHBondContact O-N 3.41Å; N127-K130 HydrophobicContact CB-CB 4.34Å; N127-K130 HydrophobicContact CB-CG 4.15Å; N127-K130 PolarHBondContact O-N 2.8Å; N127-Y131 PolarHBondContact O-N 2.73Å |
| 128 | Q | 86.8 | Confident | 87.4 | Confident | 88 Ų | 88 | 77.4 Ų | 77.4 | 41% | 0.411 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -50.4 | -50.4 | 174.9 | -177.1 | 64.5 | 61.5 | 0 | 0 | 111 | H116 K130 Y131 D132 | H116-Q128 PolarHBondContact CD2-N 2.93Å; H116-Q128 PolarHBondContact CE1-OE1 3.19Å; H116-Q128 PolarHBondContact ND1-OE1 2.99Å; H116-Q128 PolarHBondContact NE2-N 2.96Å; Q128-K130 PolarHBondContact O-N 3.02Å; Q128-Y131 CarbonylContact O-C 3.54Å; Q128-Y131 WeakPolarHBondContact O-CA 3.24Å; Q128-Y131 VanDerWaalsContact O-CB 3.3Å; Q128-Y131 WeakPolarHBondContact O-CB 3.41Å; Q128-Y131 PolarHBondContact O-N 2.9Å; Q128-D132 VanDerWaalsContact C-OD2 3.28Å; Q128-D132 PolarHBondContact NE2-OD1 3.01Å; Q128-D132 PolarHBondContact O-N 2.82Å; Q128-D132 VanDerWaalsContact O-OD2 3.13Å |
| 129 | Q | 89 | Confident | 87.4 | Confident | 138 Ų | 138 | 80.7 Ų | 80.7 | 65% | 0.645 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -49.2 | -37.7 | 177.2 | -68.2 | 170.2 | -28 | 0 | 0 | 114.2 | N127 D132 E133 | N127-Q129 VanDerWaalsContact C-N 3.3Å; N127-Q129 PolarHBondContact O-N 3.41Å; Q129-D132 WeakPolarHBondContact CA-OD2 3.49Å; Q129-D132 PolarHBondContact N-OD2 3.35Å; Q129-D132 PolarHBondContact O-N 3.22Å; Q129-E133 WeakPolarHBondContact O-CB 3.12Å; Q129-E133 VanDerWaalsContact O-CG 3.24Å; Q129-E133 WeakPolarHBondContact O-CG 3.47Å; Q129-E133 PolarHBondContact O-N 3.47Å |
| 130 | K | 86.8 | Confident | 87.6 | Confident | 112 Ų | 112 | 81.2 Ų | 81.2 | 49% | 0.487 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -82.3 | -23.1 | -179.4 | -64.9 | -168 | 173.4 | -170.1 | 0 | 113.3 | F125 N127 Q128 H134 | F125-K130 HydrophobicContact CB-CB 4.46Å; F125-K130 HydrophobicContact CD1-CB 3.95Å; F125-K130 WeakPolarHBondContact CD1-O 3.49Å; F125-K130 WeakPolarHBondContact CE1-O 3.4Å; N127-K130 HydrophobicContact CB-CB 4.34Å; N127-K130 HydrophobicContact CB-CG 4.15Å; N127-K130 PolarHBondContact O-N 2.8Å; Q128-K130 PolarHBondContact O-N 3.02Å; K130-H134 WeakPolarHBondContact O-CB 3.16Å; K130-H134 PolarHBondContact O-N 2.9Å |
| 131 | Y | 87.9 | Confident | 87.8 | Confident | 67 Ų | 67 | 78.7 Ų | 78.7 | 26% | 0.263 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -72.6 | -41.9 | 165.5 | 169.7 | -89.5 | 0 | 0 | 0 | 110.1 | H116 Y117 C118 F125 N127 Q128 H134 V135 | H116-Y131 HydrophobicContact CB-CD2 3.99Å; H116-Y131 HydrophobicContact CB-CG 3.81Å; Y117-Y131 VanDerWaalsContact O-CE2 3.24Å; Y117-Y131 WeakPolarHBondContact O-CE2 3.44Å; C118-Y131 HydrophobicContact CB-CD2 4.23Å; C118-Y131 HydrophobicContact CB-CE2 3.83Å; F125-Y131 HydrophobicContact CD2-CD2 4.15Å; N127-Y131 PolarHBondContact O-N 2.73Å; Q128-Y131 CarbonylContact O-C 3.54Å; Q128-Y131 WeakPolarHBondContact O-CA 3.24Å; Q128-Y131 VanDerWaalsContact O-CB 3.3Å; Q128-Y131 WeakPolarHBondContact O-CB 3.41Å; Q128-Y131 PolarHBondContact O-N 2.9Å; Y131-H134 CarbonylContact O-C 3.55Å; Y131-H134 WeakPolarHBondContact O-CA 3.25Å; Y131-H134 WeakPolarHBondContact O-CB 3.19Å; Y131-H134 PolarHBondContact O-N 3.32Å; Y131-V135 HydrophobicContact CD1-CG2 4.15Å; Y131-V135 HydrophobicContact CD2-CG2 4.44Å; Y131-V135 HydrophobicContact CE1-CG2 3.73Å; Y131-V135 HydrophobicContact CE2-CG2 4.02Å; Y131-V135 HydrophobicContact CG-CG2 4.5Å; Y131-V135 WeakPolarHBondContact O-CG2 3.35Å; Y131-V135 PolarHBondContact O-N 3.35Å |
| 132 | D | 88.7 | Confident | 87.8 | Confident | 64 Ų | 64 | 82.9 Ų | 82.9 | 34% | 0.342 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.1 | -49.1 | 177 | -51.1 | -35.2 | 0 | 0 | 0 | 111.1 | Q128 Q129 H134 V135 L136 | Q128-D132 VanDerWaalsContact C-OD2 3.28Å; Q128-D132 PolarHBondContact NE2-OD1 3.01Å; Q128-D132 PolarHBondContact O-N 2.82Å; Q128-D132 VanDerWaalsContact O-OD2 3.13Å; Q129-D132 WeakPolarHBondContact CA-OD2 3.49Å; Q129-D132 PolarHBondContact N-OD2 3.35Å; Q129-D132 PolarHBondContact O-N 3.22Å; D132-H134 PolarHBondContact O-N 3.35Å; D132-H134 VanDerWaalsContact O-N 3.16Å; D132-V135 PolarHBondContact O-N 3.23Å; D132-L136 WeakPolarHBondContact O-CB 3.45Å; D132-L136 VanDerWaalsContact O-CG 3.28Å; D132-L136 WeakPolarHBondContact O-CG 3.43Å; D132-L136 PolarHBondContact O-N 2.74Å |
| 133 | E | 91.3 | Very high | 87.7 | Confident | 108 Ų | 108 | 78.6 Ų | 78.6 | 51% | 0.505 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -51.4 | -35.2 | 170.1 | -77.8 | 167.1 | -169.7 | 0 | 0 | 112.6 | Q129 Q137 | Q129-E133 WeakPolarHBondContact O-CB 3.12Å; Q129-E133 VanDerWaalsContact O-CG 3.24Å; Q129-E133 WeakPolarHBondContact O-CG 3.47Å; Q129-E133 PolarHBondContact O-N 3.47Å; E133-Q137 WeakPolarHBondContact O-CG 3.41Å; E133-Q137 PolarHBondContact O-NE2 2.86Å |
| 134 | H | 88.9 | Confident | 87.2 | Confident | 4 Ų | 4 | 79 Ų | 79 | 2% | 0.019 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -79.9 | -39.8 | 179.2 | 172.6 | 49.4 | 0 | 0 | 0 | 112.9 | C118 C121 F125 K130 Y131 D132 L136 Q137 H138 | C118-H134 PolarHBondContact SG-NE2 3.24Å; C121-H134 VanDerWaalsContact CB-NE2 3.28Å; C121-H134 WeakPolarHBondContact CB-NE2 3.19Å; C121-H134 VanDerWaalsContact SG-CE1 3.57Å; F125-H134 HydrophobicContact CE1-CB 3.95Å; F125-H134 HydrophobicContact CE2-CB 3.89Å; F125-H134 AromaticContact CE2-CD2 3.31Å; F125-H134 WeakPolarHBondContact CE2-CD2 3.38Å; F125-H134 AromaticContact CE2-CG 3.7Å; F125-H134 HydrophobicContact CZ-CB 3.42Å; F125-H134 VanDerWaalsContact CZ-CB 3.42Å; F125-H134 AromaticContact CZ-CD2 3.44Å; F125-H134 VanDerWaalsContact CZ-CD2 3.44Å; F125-H134 WeakPolarHBondContact CZ-CD2 3.36Å; F125-H134 AromaticContact CZ-CG 3.33Å; K130-H134 WeakPolarHBondContact O-CB 3.16Å; K130-H134 PolarHBondContact O-N 2.9Å; Y131-H134 CarbonylContact O-C 3.55Å; Y131-H134 WeakPolarHBondContact O-CA 3.25Å; Y131-H134 WeakPolarHBondContact O-CB 3.19Å; Y131-H134 PolarHBondContact O-N 3.32Å; D132-H134 PolarHBondContact O-N 3.35Å; D132-H134 VanDerWaalsContact O-N 3.16Å; H134-L136 VanDerWaalsContact C-N 3.29Å; H134-Q137 WeakPolarHBondContact O-CB 3.44Å; H134-Q137 PolarHBondContact O-N 3.44Å; H134-H138 AromaticContact CD2-NE2 4Å; H134-H138 AromaticContact CE1-NE2 3.76Å; H134-H138 AromaticContact NE2-NE2 3.52Å; H134-H138 PolarHBondContact O-CD2 2.88Å |
| 135 | V | 87 | Confident | 86.7 | Confident | 55 Ų | 55 | 85.2 Ų | 85.2 | 33% | 0.333 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.8 | -33.7 | 174.5 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | Y131 D132 Q137 H138 | Y131-V135 HydrophobicContact CD1-CG2 4.15Å; Y131-V135 HydrophobicContact CD2-CG2 4.44Å; Y131-V135 HydrophobicContact CE1-CG2 3.73Å; Y131-V135 HydrophobicContact CE2-CG2 4.02Å; Y131-V135 HydrophobicContact CG-CG2 4.5Å; Y131-V135 WeakPolarHBondContact O-CG2 3.35Å; Y131-V135 PolarHBondContact O-N 3.35Å; D132-V135 PolarHBondContact O-N 3.23Å; V135-Q137 PolarHBondContact O-N 2.95Å; V135-H138 WeakPolarHBondContact O-CB 3.41Å; V135-H138 PolarHBondContact O-N 3.14Å |
| 136 | L | 89.6 | Confident | 86.6 | Confident | 149 Ų | 149 | 84.4 Ų | 84.4 | 78% | 0.78 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -17.5 | 170.1 | -70.7 | 170.1 | 0 | 0 | 0 | 113.7 | D132 H134 H138 | D132-L136 WeakPolarHBondContact O-CB 3.45Å; D132-L136 VanDerWaalsContact O-CG 3.28Å; D132-L136 WeakPolarHBondContact O-CG 3.43Å; D132-L136 PolarHBondContact O-N 2.74Å; H134-L136 VanDerWaalsContact C-N 3.29Å; L136-H138 VanDerWaalsContact C-N 3.3Å |
| 137 | Q | 88.1 | Confident | 86.6 | Confident | 93 Ų | 93 | 86 Ų | 86 | 44% | 0.435 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 1.3 | 170.5 | -64.2 | 162.2 | 12.3 | 0 | 0 | 112.8 | E133 H134 V135 H151 | E133-Q137 WeakPolarHBondContact O-CG 3.41Å; E133-Q137 PolarHBondContact O-NE2 2.86Å; H134-Q137 WeakPolarHBondContact O-CB 3.44Å; H134-Q137 PolarHBondContact O-N 3.44Å; V135-Q137 PolarHBondContact O-N 2.95Å; Q137-H151 WeakPolarHBondContact O-CA 3.49Å |
| 138 | H | 91.2 | Very high | 86.4 | Confident | 28 Ų | 28 | 85.1 Ų | 85.1 | 13% | 0.13 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 125.3 | 176.1 | -69.7 | -161.2 | 0 | 0 | 0 | 110.6 | C118 T120 H134 V135 L136 M149 A150 | C118-H138 PolarHBondContact SG-CE1 3.37Å; C118-H138 PolarHBondContact SG-NE2 3.42Å; C118-H138 VanDerWaalsContact SG-NE2 3.39Å; T120-H138 PolarHBondContact OG1-CE1 3.3Å; H134-H138 AromaticContact CD2-NE2 4Å; H134-H138 AromaticContact CE1-NE2 3.76Å; H134-H138 AromaticContact NE2-NE2 3.52Å; H134-H138 PolarHBondContact O-CD2 2.88Å; V135-H138 WeakPolarHBondContact O-CB 3.41Å; V135-H138 PolarHBondContact O-N 3.14Å; L136-H138 VanDerWaalsContact C-N 3.3Å; H138-M149 HydrophobicContact CB-CE 4.22Å; H138-A150 WeakPolarHBondContact CA-O 3.32Å |
| 139 | V | 89.6 | Confident | 86.5 | Confident | 73 Ų | 73 | 84.6 Ų | 84.6 | 44% | 0.442 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 146.5 | 174.9 | -176.1 | 0 | 0 | 0 | 0 | 108.2 | A150 V152 V155 | V139-A150 PolarHBondContact N-O 3.42Å; V139-A150 PolarHBondContact O-N 2.84Å; V139-V152 HydrophobicContact CB-CG2 4.46Å; V139-V152 HydrophobicContact CG2-CG2 3.74Å; V139-V155 VanDerWaalsContact O-CG2 3.28Å; V139-V155 WeakPolarHBondContact O-CG2 3.37Å |
| 140 | K | 88.4 | Confident | 86.5 | Confident | 143 Ų | 143 | 78 Ų | 78 | 62% | 0.622 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 149.8 | 173.7 | -73.8 | 177.3 | 176.5 | -172.8 | 0 | 110.5 | F148 M149 | K140-F148 CarbonylContact C-O 3.58Å; K140-F148 WeakPolarHBondContact CA-O 3.31Å; K140-M149 HydrophobicContact CB-CG 4.38Å; K140-M149 HydrophobicContact CD-SD 4.25Å; K140-M149 WeakPolarHBondContact CE-SD 3.39Å; K140-M149 HydrophobicContact CG-CE 4.3Å; K140-M149 HydrophobicContact CG-CG 3.49Å; K140-M149 VanDerWaalsContact CG-CG 3.49Å; K140-M149 HydrophobicContact CG-SD 3.68Å |
| 141 | C | 89.6 | Confident | 86.7 | Confident | 11 Ų | 11 | 74.5 Ų | 74.5 | 7% | 0.074 | 40% | 0.395 | C | S | . | . | trans | -61.6 | 143.5 | 168.3 | -170.4 | 0 | 0 | 0 | 0 | 110.8 | V143 C146 F148 V155 H158 | C141-V143 VanDerWaalsContact C-N 3.26Å; C141-V143 PolarHBondContact O-N 2.86Å; C141-C146 HydrophobicContact CB-CB 3.92Å; C141-F148 HydrophobicContact CB-CB 4.27Å; C141-F148 PolarHBondContact N-O 3.14Å; C141-V155 HydrophobicContact CB-CG1 4.29Å; C141-H158 VanDerWaalsContact SG-CD2 3.51Å; C141-H158 PolarHBondContact SG-NE2 3.02Å | ||
| 142 | S | 84.8 | Confident | 86.7 | Confident | 101 Ų | 101 | 75.3 Ų | 75.3 | 71% | 0.706 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -82.7 | 4.1 | -176.1 | -44 | 0 | 0 | 0 | 0 | 114.3 | ||
| 143 | V | 83.5 | Confident | 86.6 | Confident | 35 Ų | 35 | 79.6 Ų | 79.6 | 21% | 0.212 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -90 | 128.5 | 177.9 | 168.3 | 0 | 0 | 0 | 0 | 110 | C141 D145 C146 W159 H163 | C141-V143 VanDerWaalsContact C-N 3.26Å; C141-V143 PolarHBondContact O-N 2.86Å; V143-D145 PolarHBondContact O-N 3.19Å; V143-C146 HydrophobicContact CB-CB 3.98Å; V143-C146 HydrophobicContact CG1-CB 4.25Å; V143-C146 WeakPolarHBondContact O-CB 3.4Å; V143-C146 PolarHBondContact O-N 3.38Å; V143-W159 HydrophobicContact CB-CZ3 4.27Å; V143-W159 HydrophobicContact CG2-CE3 3.67Å; V143-W159 HydrophobicContact CG2-CH2 3.68Å; V143-W159 HydrophobicContact CG2-CZ3 3.15Å; V143-H163 HydrophobicContact CG2-CB 3.72Å; V143-H163 VanDerWaalsContact CG2-CG 3.41Å |
| 144 | P | 73.5 | Confident | 86.4 | Confident | 109 Ų | 109 | 77.1 Ų | 77.1 | 71% | 0.708 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 139.8 | 167 | 24.9 | -34.2 | 0 | 0 | 0 | 109.9 | C146 | P144-C146 VanDerWaalsContact C-N 3.29Å; P144-C146 PolarHBondContact O-N 3.36Å |
| 145 | D | 75.9 | Confident | 86.3 | Confident | 166 Ų | 166 | 77.6 Ų | 77.6 | 89% | 0.888 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 0.4 | -171.8 | -46.9 | -35 | 0 | 0 | 0 | 116.6 | V143 | V143-D145 PolarHBondContact O-N 3.19Š|
| 146 | C | 84.9 | Confident | 86.3 | Confident | 25 Ų | 25 | 77.6 Ų | 77.6 | 17% | 0.169 | 42% | 0.421 | C | S | . | . | trans | -98 | 106 | 174.4 | -167.6 | 0 | 0 | 0 | 0 | 114.3 | C141 V143 P144 F148 H158 H163 | C141-C146 HydrophobicContact CB-CB 3.92Å; V143-C146 HydrophobicContact CB-CB 3.98Å; V143-C146 HydrophobicContact CG1-CB 4.25Å; V143-C146 WeakPolarHBondContact O-CB 3.4Å; V143-C146 PolarHBondContact O-N 3.38Å; P144-C146 VanDerWaalsContact C-N 3.29Å; P144-C146 PolarHBondContact O-N 3.36Å; C146-F148 VanDerWaalsContact C-N 3.28Å; C146-F148 PolarHBondContact O-N 2.79Å; C146-H158 VanDerWaalsContact SG-CE1 3.51Å; C146-H158 PolarHBondContact SG-NE2 3.45Å; C146-H163 PolarHBondContact SG-NE2 2.88Å | ||
| 147 | N | 84.8 | Confident | 86.1 | Confident | 157 Ų | 157 | 74.7 Ų | 74.7 | 84% | 0.84 | 41% | 0.405 | S | S | * | . | trans | -81.6 | 11.8 | 178.9 | -70.4 | -49.4 | 0 | 0 | 0 | 115.2 | M149 | N147-M149 PolarHBondContact O-N 3.07Š| ||
| 148 | F | 84.9 | Confident | 86.1 | Confident | 62 Ų | 62 | 71.7 Ų | 71.7 | 27% | 0.272 | 39% | 0.391 | S | S | . | . | trans | -69.2 | 128 | -178.3 | -175.7 | -100.7 | 0 | 0 | 0 | 111.9 | K140 C141 C146 A150 V155 H158 | K140-F148 CarbonylContact C-O 3.58Å; K140-F148 WeakPolarHBondContact CA-O 3.31Å; C141-F148 HydrophobicContact CB-CB 4.27Å; C141-F148 PolarHBondContact N-O 3.14Å; C146-F148 VanDerWaalsContact C-N 3.28Å; C146-F148 PolarHBondContact O-N 2.79Å; F148-A150 HydrophobicContact CD1-CB 4.49Å; F148-A150 HydrophobicContact CE1-CB 3.55Å; F148-A150 HydrophobicContact CZ-CB 3.58Å; F148-V155 HydrophobicContact CD1-CG2 4.35Å; F148-V155 HydrophobicContact CE1-CG2 4.2Å; F148-H158 HydrophobicContact CD1-CB 3.72Å; F148-H158 AromaticContact CD1-CD2 3.45Å; F148-H158 VanDerWaalsContact CD1-CD2 3.45Å; F148-H158 WeakPolarHBondContact CD1-CD2 3.41Å; F148-H158 AromaticContact CD1-CG 3.5Å; F148-H158 HydrophobicContact CE1-CB 3.6Å; F148-H158 AromaticContact CE1-CG 3.93Å; F148-H158 HydrophobicContact CG-CB 4.3Å; F148-H158 AromaticContact CG-CD2 3.74Å; F148-H158 AromaticContact CG-CG 3.72Å; F148-H158 HydrophobicContact CZ-CB 4.11Å | ||
| 149 | M | 87.3 | Confident | 85.8 | Confident | 76 Ų | 76 | 75.5 Ų | 75.5 | 37% | 0.374 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 121.2 | 176.5 | -75.5 | -173.2 | 64.1 | 0 | 0 | 111 | T120 H138 K140 N147 | T120-M149 WeakPolarHBondContact CB-O 3.39Å; T120-M149 PolarHBondContact OG1-O 3.08Å; H138-M149 HydrophobicContact CB-CE 4.22Å; K140-M149 HydrophobicContact CB-CG 4.38Å; K140-M149 HydrophobicContact CD-SD 4.25Å; K140-M149 WeakPolarHBondContact CE-SD 3.39Å; K140-M149 HydrophobicContact CG-CE 4.3Å; K140-M149 HydrophobicContact CG-CG 3.49Å; K140-M149 VanDerWaalsContact CG-CG 3.49Å; K140-M149 HydrophobicContact CG-SD 3.68Å; N147-M149 PolarHBondContact O-N 3.07Å |
| 150 | A | 90.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 173.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | H138 V139 F148 V152 L154 V155 | H138-A150 WeakPolarHBondContact CA-O 3.32Å; V139-A150 PolarHBondContact N-O 3.42Å; V139-A150 PolarHBondContact O-N 2.84Å; F148-A150 HydrophobicContact CD1-CB 4.49Å; F148-A150 HydrophobicContact CE1-CB 3.55Å; F148-A150 HydrophobicContact CZ-CB 3.58Å; A150-V152 PolarHBondContact O-N 3.41Å; A150-L154 HydrophobicContact CB-CB 3.78Å; A150-L154 HydrophobicContact CB-CD1 4.28Å; A150-V155 HydrophobicContact CB-CG2 4.31Å; A150-V155 WeakPolarHBondContact O-CG2 3.48Å |
| 151 | H | 90.6 | Very high | 85.2 | Confident | 38 Ų | 38 | 76.1 Ų | 76.1 | 18% | 0.176 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 130.8 | 171 | 170.5 | -73.5 | 0 | 0 | 0 | 111.4 | C121 Q137 K153 L154 | C121-H151 PolarHBondContact SG-N 3.25Å; C121-H151 VanDerWaalsContact SG-N 3.45Å; Q137-H151 WeakPolarHBondContact O-CA 3.49Å; H151-K153 VanDerWaalsContact C-N 3.31Å; H151-K153 PolarHBondContact O-N 3Å; H151-L154 WeakPolarHBondContact O-CB 3.39Å; H151-L154 PolarHBondContact O-N 3.02Å |
| 152 | V | 87.6 | Confident | 84.6 | Confident | 84 Ų | 84 | 77.5 Ų | 77.5 | 51% | 0.509 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -24.8 | -54.2 | -172.9 | -176 | 0 | 0 | 0 | 0 | 116.4 | V139 A150 L154 V155 A156 | V139-V152 HydrophobicContact CB-CG2 4.46Å; V139-V152 HydrophobicContact CG2-CG2 3.74Å; A150-V152 PolarHBondContact O-N 3.41Å; V152-L154 VanDerWaalsContact C-N 3.26Å; V152-L154 PolarHBondContact O-N 3Å; V152-V155 WeakPolarHBondContact O-CA 3.39Å; V152-V155 WeakPolarHBondContact O-CB 3.43Å; V152-V155 PolarHBondContact O-N 3.5Å; V152-A156 PolarHBondContact O-N 2.88Å |
| 153 | K | 86.9 | Confident | 84.4 | Confident | 155 Ų | 155 | 74.9 Ų | 74.9 | 67% | 0.674 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -54.3 | -37.6 | 179 | -67.4 | -172.4 | 177.3 | -170.9 | 0 | 114.1 | H151 I157 | H151-K153 VanDerWaalsContact C-N 3.31Å; H151-K153 PolarHBondContact O-N 3Å; K153-I157 WeakPolarHBondContact O-CD1 3.32Å; K153-I157 VanDerWaalsContact O-CG1 3.31Å; K153-I157 WeakPolarHBondContact O-CG1 3.4Å; K153-I157 PolarHBondContact O-N 3.17Å; K153-I157 VanDerWaalsContact O-N 3.14Å |
| 154 | L | 86.8 | Confident | 84.1 | Confident | 56 Ų | 56 | 74.3 Ų | 74.3 | 29% | 0.293 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -77.1 | -30.2 | 177.8 | -65.8 | 169.8 | 0 | 0 | 0 | 111.7 | T120 C121 A150 H151 V152 I157 H158 | T120-L154 WeakPolarHBondContact O-CD1 3.29Å; C121-L154 HydrophobicContact CB-CD1 4.04Å; A150-L154 HydrophobicContact CB-CB 3.78Å; A150-L154 HydrophobicContact CB-CD1 4.28Å; H151-L154 WeakPolarHBondContact O-CB 3.39Å; H151-L154 PolarHBondContact O-N 3.02Å; V152-L154 VanDerWaalsContact C-N 3.26Å; V152-L154 PolarHBondContact O-N 3Å; L154-I157 HydrophobicContact CD2-CD1 4.47Å; L154-I157 PolarHBondContact O-N 3.46Å; L154-H158 VanDerWaalsContact O-CB 3.22Å; L154-H158 WeakPolarHBondContact O-CB 3.36Å; L154-H158 PolarHBondContact O-N 3.43Å |
| 155 | V | 88.3 | Confident | 83.6 | Confident | 13 Ų | 13 | 75.2 Ų | 75.2 | 8% | 0.079 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 172 | -172.4 | 0 | 0 | 0 | 0 | 110.6 | V139 C141 F148 A150 V152 H158 W159 | V139-V155 VanDerWaalsContact O-CG2 3.28Å; V139-V155 WeakPolarHBondContact O-CG2 3.37Å; C141-V155 HydrophobicContact CB-CG1 4.29Å; F148-V155 HydrophobicContact CD1-CG2 4.35Å; F148-V155 HydrophobicContact CE1-CG2 4.2Å; A150-V155 HydrophobicContact CB-CG2 4.31Å; A150-V155 WeakPolarHBondContact O-CG2 3.48Å; V152-V155 WeakPolarHBondContact O-CA 3.39Å; V152-V155 WeakPolarHBondContact O-CB 3.43Å; V152-V155 PolarHBondContact O-N 3.5Å; V155-H158 PolarHBondContact O-N 2.75Å; V155-W159 WeakPolarHBondContact O-CB 3.48Å; V155-W159 PolarHBondContact O-N 3.18Å |
| 156 | A | 85.8 | Confident | 83 | Confident | 56 Ų | 56 | 70.8 Ų | 70.8 | 46% | 0.463 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.3 | -47.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V152 H158 W159 E160 | V152-A156 PolarHBondContact O-N 2.88Å; A156-H158 VanDerWaalsContact C-N 3.34Å; A156-H158 PolarHBondContact O-N 2.91Å; A156-W159 PolarHBondContact O-N 3.17Å; A156-E160 WeakPolarHBondContact O-CB 3.43Å; A156-E160 PolarHBondContact O-N 3.49Å |
| 157 | I | 85.7 | Confident | 81.6 | Confident | 87 Ų | 87 | 70.5 Ų | 70.5 | 45% | 0.446 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 175.7 | -69.1 | 164.4 | 0 | 0 | 0 | 111.2 | K153 L154 E160 N161 | K153-I157 WeakPolarHBondContact O-CD1 3.32Å; K153-I157 VanDerWaalsContact O-CG1 3.31Å; K153-I157 WeakPolarHBondContact O-CG1 3.4Å; K153-I157 PolarHBondContact O-N 3.17Å; K153-I157 VanDerWaalsContact O-N 3.14Å; L154-I157 HydrophobicContact CD2-CD1 4.47Å; L154-I157 PolarHBondContact O-N 3.46Å; I157-E160 PolarHBondContact O-N 3.21Å; I157-N161 WeakPolarHBondContact O-CB 3.33Å; I157-N161 PolarHBondContact O-N 3.31Å; I157-N161 PolarHBondContact O-ND2 2.86Å |
| 158 | H | 87.4 | Confident | 80.2 | Confident | 31 Ų | 31 | 72.8 Ų | 72.8 | 14% | 0.144 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.7 | -46.2 | 175.5 | 156.3 | 67.4 | 0 | 0 | 0 | 111.6 | C141 C146 F148 L154 V155 A156 N161 S162 H163 | C141-H158 VanDerWaalsContact SG-CD2 3.51Å; C141-H158 PolarHBondContact SG-NE2 3.02Å; C146-H158 VanDerWaalsContact SG-CE1 3.51Å; C146-H158 PolarHBondContact SG-NE2 3.45Å; F148-H158 HydrophobicContact CD1-CB 3.72Å; F148-H158 AromaticContact CD1-CD2 3.45Å; F148-H158 VanDerWaalsContact CD1-CD2 3.45Å; F148-H158 WeakPolarHBondContact CD1-CD2 3.41Å; F148-H158 AromaticContact CD1-CG 3.5Å; F148-H158 HydrophobicContact CE1-CB 3.6Å; F148-H158 AromaticContact CE1-CG 3.93Å; F148-H158 HydrophobicContact CG-CB 4.3Å; F148-H158 AromaticContact CG-CD2 3.74Å; F148-H158 AromaticContact CG-CG 3.72Å; F148-H158 HydrophobicContact CZ-CB 4.11Å; L154-H158 VanDerWaalsContact O-CB 3.22Å; L154-H158 WeakPolarHBondContact O-CB 3.36Å; L154-H158 PolarHBondContact O-N 3.43Å; V155-H158 PolarHBondContact O-N 2.75Å; A156-H158 VanDerWaalsContact C-N 3.34Å; A156-H158 PolarHBondContact O-N 2.91Å; H158-N161 PolarHBondContact O-N 3.3Å; H158-S162 PolarHBondContact ND1-OG 2.81Å; H158-S162 WeakPolarHBondContact O-CB 3.33Å; H158-S162 PolarHBondContact O-N 3.2Å; H158-S162 PolarHBondContact O-OG 3.5Å; H158-H163 AromaticContact CE1-CD2 3.82Å; H158-H163 AromaticContact CE1-NE2 3.49Å; H158-H163 PolarHBondContact CE1-NE2 3.49Å; H158-H163 AromaticContact NE2-CD2 3.42Å; H158-H163 PolarHBondContact NE2-CD2 2.87Å; H158-H163 AromaticContact NE2-NE2 3.24Å; H158-H163 PolarHBondContact NE2-NE2 2.9Å |
| 159 | W | 86.1 | Confident | 79 | Confident | 107 Ų | 107 | 75 Ų | 75 | 41% | 0.405 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -56.9 | -49.8 | 174.1 | 176.4 | -76.4 | 0 | 0 | 0 | 111.2 | V143 V155 A156 N161 S162 H163 A164 | V143-W159 HydrophobicContact CB-CZ3 4.27Å; V143-W159 HydrophobicContact CG2-CE3 3.67Å; V143-W159 HydrophobicContact CG2-CH2 3.68Å; V143-W159 HydrophobicContact CG2-CZ3 3.15Å; V155-W159 WeakPolarHBondContact O-CB 3.48Å; V155-W159 PolarHBondContact O-N 3.18Å; A156-W159 PolarHBondContact O-N 3.17Å; W159-N161 VanDerWaalsContact C-N 3.3Å; W159-N161 PolarHBondContact O-N 2.85Å; W159-S162 PolarHBondContact O-N 3.36Å; W159-H163 HydrophobicContact CD2-CB 4.09Å; W159-H163 HydrophobicContact CE3-CB 4.31Å; W159-H163 HydrophobicContact CG-CB 4.34Å; W159-H163 CarbonylContact O-C 3.6Å; W159-H163 WeakPolarHBondContact O-CA 3.44Å; W159-H163 PolarHBondContact O-N 2.93Å; W159-A164 PolarHBondContact O-N 3.09Å |
| 160 | E | 83.8 | Confident | 77.7 | Confident | 128 Ų | 128 | 76.1 Ų | 76.1 | 60% | 0.598 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -58.7 | -39.3 | 178.4 | -171.1 | 174.6 | -159.2 | 0 | 0 | 112.5 | A156 I157 | A156-E160 WeakPolarHBondContact O-CB 3.43Å; A156-E160 PolarHBondContact O-N 3.49Å; I157-E160 PolarHBondContact O-N 3.21Å |
| 161 | N | 81.7 | Confident | 76.2 | Confident | 102 Ų | 102 | 81.3 Ų | 81.3 | 55% | 0.545 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -87.6 | -15.5 | -178.4 | -74.9 | -82.4 | 0 | 0 | 0 | 115.1 | I157 H158 W159 | I157-N161 WeakPolarHBondContact O-CB 3.33Å; I157-N161 PolarHBondContact O-N 3.31Å; I157-N161 PolarHBondContact O-ND2 2.86Å; H158-N161 PolarHBondContact O-N 3.3Å; W159-N161 VanDerWaalsContact C-N 3.3Å; W159-N161 PolarHBondContact O-N 2.85Å |
| 162 | S | 77.1 | Confident | 74.7 | Confident | 39 Ų | 39 | 82.5 Ų | 82.5 | 27% | 0.273 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -123.5 | -29.2 | -170.8 | -47.9 | 0 | 0 | 0 | 0 | 114.7 | H158 W159 R169 | H158-S162 PolarHBondContact ND1-OG 2.81Å; H158-S162 WeakPolarHBondContact O-CB 3.33Å; H158-S162 PolarHBondContact O-N 3.2Å; H158-S162 PolarHBondContact O-OG 3.5Å; W159-S162 PolarHBondContact O-N 3.36Å; S162-R169 PolarHBondContact O-NH1 3.09Å |
| 163 | H | 79.7 | Confident | 73.5 | Confident | 46 Ų | 46 | 83.3 Ų | 83.3 | 21% | 0.213 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | -24.1 | -167.2 | -63.1 | -60.6 | 0 | 0 | 0 | 114.5 | V143 C146 H158 W159 | V143-H163 HydrophobicContact CG2-CB 3.72Å; V143-H163 VanDerWaalsContact CG2-CG 3.41Å; C146-H163 PolarHBondContact SG-NE2 2.88Å; H158-H163 AromaticContact CE1-CD2 3.82Å; H158-H163 AromaticContact CE1-NE2 3.49Å; H158-H163 PolarHBondContact CE1-NE2 3.49Å; H158-H163 AromaticContact NE2-CD2 3.42Å; H158-H163 PolarHBondContact NE2-CD2 2.87Å; H158-H163 AromaticContact NE2-NE2 3.24Å; H158-H163 PolarHBondContact NE2-NE2 2.9Å; W159-H163 HydrophobicContact CD2-CB 4.09Å; W159-H163 HydrophobicContact CE3-CB 4.31Å; W159-H163 HydrophobicContact CG-CB 4.34Å; W159-H163 CarbonylContact O-C 3.6Å; W159-H163 WeakPolarHBondContact O-CA 3.44Å; W159-H163 PolarHBondContact O-N 2.93Å |
| 164 | A | 77 | Confident | 73.1 | Confident | 24 Ų | 24 | 78.7 Ų | 78.7 | 20% | 0.198 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -61.4 | 148.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | W159 G166 A167 | W159-A164 PolarHBondContact O-N 3.09Å; A164-G166 PolarHBondContact O-N 3.49Å; A164-A167 HydrophobicContact CB-CB 4.5Å; A164-A167 WeakPolarHBondContact O-CB 3.48Å; A164-A167 PolarHBondContact O-N 2.96Å |
| 165 | P | 64.1 | Low | 72.7 | Confident | 128 Ų | 128 | 81 Ų | 81 | 83% | 0.831 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 120 | 172 | 27.2 | -33.7 | 0 | 0 | 0 | 109.8 | ||
| 166 | G | 62.1 | Low | 72.1 | Confident | 73 Ų | 73 | 86.9 Ų | 86.9 | 75% | 0.753 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.5 | -2.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A164 | A164-G166 PolarHBondContact O-N 3.49Š|
| 167 | A | 56.1 | Low | 71.8 | Confident | 19 Ų | 19 | 88 Ų | 88 | 16% | 0.157 | 47% | 0.465 | C | S | . | . | trans | -56 | 146 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111 | A164 R169 | A164-A167 HydrophobicContact CB-CB 4.5Å; A164-A167 WeakPolarHBondContact O-CB 3.48Å; A164-A167 PolarHBondContact O-N 2.96Å; A167-R169 PolarHBondContact O-N 2.96Å | ||
| 168 | K | 56.2 | Low | 71.4 | Confident | 204 Ų | 204 | 85.9 Ų | 85.9 | 89% | 0.887 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -75 | 26.6 | -176.3 | -64.6 | 179.2 | -178.5 | 172.8 | 0 | 114.3 | I170 | K168-I170 PolarHBondContact O-N 3.4Š|
| 169 | R | 59 | Low | 71.2 | Confident | 109 Ų | 109 | 86.7 Ų | 86.7 | 41% | 0.411 | 47% | 0.466 | S | S | . | . | trans | -65.3 | 118.8 | 158 | -170.5 | 176.6 | 83.7 | -126.7 | 9.9 | 106.2 | S162 A167 K171 D173 | S162-R169 PolarHBondContact O-NH1 3.09Å; A167-R169 PolarHBondContact O-N 2.96Å; R169-K171 PolarHBondContact O-N 3.46Å; R169-D173 IonicContact CZ-OD2 3.77Å; R169-D173 IonicContact NE-OD2 3.86Å; R169-D173 IonicContact NH2-OD2 2.81Å; R169-D173 PolarHBondContact NH2-OD2 2.82Å | ||
| 170 | I | 60.4 | Low | 71.2 | Confident | 100 Ų | 100 | 88.7 Ų | 88.7 | 51% | 0.513 | 48% | 0.477 | S | S | . | . | trans | -63.2 | 107.8 | 168.2 | -49.1 | 177 | 0 | 0 | 0 | 105 | K168 L172 W181 | K168-I170 PolarHBondContact O-N 3.4Å; I170-L172 VanDerWaalsContact C-N 3.31Å; I170-L172 HydrophobicContact CB-CG 4.35Å; I170-L172 HydrophobicContact CG2-CD1 4.39Å; I170-L172 HydrophobicContact CG2-CD2 3.75Å; I170-L172 HydrophobicContact CG2-CG 3.76Å; I170-L172 PolarHBondContact O-N 3.36Å; I170-W181 HydrophobicContact CD1-CZ2 4.08Å | ||
| 171 | K | 59 | Low | 71.1 | Confident | 109 Ų | 109 | 86.8 Ų | 86.8 | 47% | 0.474 | 47% | 0.465 | S | S | . | . | trans | -67.8 | 99.4 | 171.8 | -68.5 | -172.7 | -178.7 | -178.9 | 0 | 106.6 | R169 D173 | R169-K171 PolarHBondContact O-N 3.46Å; K171-D173 HydrophobicContact CB-CB 4.49Å | ||
| 172 | L | 57.6 | Low | 71.1 | Confident | 62 Ų | 62 | 89.4 Ų | 89.4 | 33% | 0.325 | 47% | 0.467 | S | S | . | . | trans | -105.5 | 39.4 | 166.6 | -65.3 | -174.5 | 0 | 0 | 0 | 106.6 | I170 I178 W181 | I170-L172 VanDerWaalsContact C-N 3.31Å; I170-L172 HydrophobicContact CB-CG 4.35Å; I170-L172 HydrophobicContact CG2-CD1 4.39Å; I170-L172 HydrophobicContact CG2-CD2 3.75Å; I170-L172 HydrophobicContact CG2-CG 3.76Å; I170-L172 PolarHBondContact O-N 3.36Å; L172-I178 HydrophobicContact CB-CD1 4.15Å; L172-I178 HydrophobicContact CB-CG1 3.64Å; L172-I178 HydrophobicContact CD2-CG1 3.97Å; L172-I178 HydrophobicContact CG-CG1 4.24Å; L172-I178 WeakPolarHBondContact O-CD1 3.21Å; L172-W181 HydrophobicContact CD2-CB 4.16Å; L172-W181 HydrophobicContact CD2-CD2 4.33Å; L172-W181 HydrophobicContact CD2-CG 4.13Å | ||
| 173 | D | 63.7 | Low | 71.4 | Confident | 101 Ų | 101 | 91.9 Ų | 91.9 | 54% | 0.54 | 47% | 0.474 | S | S | . | . | trans | -88.1 | -18.4 | -166.4 | -58 | -0.3 | 0 | 0 | 0 | 108.9 | R169 K171 | R169-D173 IonicContact CZ-OD2 3.77Å; R169-D173 IonicContact NE-OD2 3.86Å; R169-D173 IonicContact NH2-OD2 2.81Å; R169-D173 PolarHBondContact NH2-OD2 2.82Å; K171-D173 HydrophobicContact CB-CB 4.49Å | ||
| 174 | T | 76.9 | Confident | 71.5 | Confident | 58 Ų | 58 | 94.8 Ų | 94.8 | 36% | 0.356 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -111 | 150.3 | 164.6 | 71.2 | 0 | 0 | 0 | 0 | 112.8 | E176 E177 I178 | T174-E176 PolarHBondContact O-N 3.1Å; T174-E177 WeakPolarHBondContact CB-OE2 3.48Å; T174-E177 WeakPolarHBondContact CG2-OE2 3.16Å; T174-E177 PolarHBondContact N-OE2 3.09Å; T174-E177 VanDerWaalsContact N-OE2 3.16Å; T174-E177 WeakPolarHBondContact OG1-CB 3.43Å; T174-E177 WeakPolarHBondContact OG1-CG 3.34Å; T174-E177 PolarHBondContact OG1-N 2.79Å; T174-E177 VanDerWaalsContact OG1-N 3.14Å; T174-E177 PolarHBondContact OG1-OE2 3.13Å; T174-I178 WeakPolarHBondContact O-CG1 3.28Å; T174-I178 PolarHBondContact O-N 2.84Å |
| 175 | P | 78.3 | Confident | 71.8 | Confident | 104 Ų | 104 | 100.4 Ų | 100.4 | 68% | 0.675 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.2 | -23.7 | 174.9 | 28.1 | -35.1 | 0 | 0 | 0 | 113.2 | I178 A179 | P175-I178 WeakPolarHBondContact O-CB 3.49Å; P175-A179 PolarHBondContact O-N 3.36Å |
| 176 | E | 76.8 | Confident | 72.7 | Confident | 138 Ų | 138 | 101.6 Ų | 101.6 | 65% | 0.645 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -76.2 | -40.9 | 179.1 | -64 | -177.7 | -164.9 | 0 | 0 | 112.3 | T174 I178 A179 K180 | T174-E176 PolarHBondContact O-N 3.1Å; E176-I178 VanDerWaalsContact C-N 3.29Å; E176-I178 PolarHBondContact O-N 2.77Å; E176-A179 PolarHBondContact O-N 3.17Å; E176-K180 WeakPolarHBondContact O-CG 3.44Å; E176-K180 PolarHBondContact O-N 3.29Å |
| 177 | E | 78.8 | Confident | 73.6 | Confident | 79 Ų | 79 | 105.4 Ų | 105.4 | 37% | 0.369 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 169.3 | -70.7 | 162.3 | 137.6 | 0 | 0 | 110.7 | T174 A179 K180 W181 | T174-E177 WeakPolarHBondContact CB-OE2 3.48Å; T174-E177 WeakPolarHBondContact CG2-OE2 3.16Å; T174-E177 PolarHBondContact N-OE2 3.09Å; T174-E177 VanDerWaalsContact N-OE2 3.16Å; T174-E177 WeakPolarHBondContact OG1-CB 3.43Å; T174-E177 WeakPolarHBondContact OG1-CG 3.34Å; T174-E177 PolarHBondContact OG1-N 2.79Å; T174-E177 VanDerWaalsContact OG1-N 3.14Å; T174-E177 PolarHBondContact OG1-OE2 3.13Å; E177-A179 PolarHBondContact O-N 3.44Å; E177-K180 PolarHBondContact O-N 3Å; E177-W181 WeakPolarHBondContact O-CB 3.31Å; E177-W181 PolarHBondContact O-N 2.93Å |
| 178 | I | 76.8 | Confident | 74.7 | Confident | 43 Ų | 43 | 109 Ų | 109 | 22% | 0.221 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 172.4 | -70.6 | 165.4 | 0 | 0 | 0 | 111.4 | L172 T174 P175 E176 R182 | L172-I178 HydrophobicContact CB-CD1 4.15Å; L172-I178 HydrophobicContact CB-CG1 3.64Å; L172-I178 HydrophobicContact CD2-CG1 3.97Å; L172-I178 HydrophobicContact CG-CG1 4.24Å; L172-I178 WeakPolarHBondContact O-CD1 3.21Å; T174-I178 WeakPolarHBondContact O-CG1 3.28Å; T174-I178 PolarHBondContact O-N 2.84Å; P175-I178 WeakPolarHBondContact O-CB 3.49Å; E176-I178 VanDerWaalsContact C-N 3.29Å; E176-I178 PolarHBondContact O-N 2.77Å; I178-R182 HydrophobicContact CG2-CG 4.38Å; I178-R182 VanDerWaalsContact CG2-CZ 3.48Å; I178-R182 VanDerWaalsContact CG2-NE 3.29Å; I178-R182 VanDerWaalsContact O-CB 3.3Å; I178-R182 WeakPolarHBondContact O-CB 3.3Å; I178-R182 WeakPolarHBondContact O-CD 3.5Å; I178-R182 WeakPolarHBondContact O-CG 3.35Å; I178-R182 PolarHBondContact O-N 3.02Å |
| 179 | A | 84.2 | Confident | 75.9 | Confident | 47 Ų | 47 | 106.6 Ų | 106.6 | 39% | 0.388 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.1 | -56.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | P175 E176 E177 W181 R182 E183 | P175-A179 PolarHBondContact O-N 3.36Å; E176-A179 PolarHBondContact O-N 3.17Å; E177-A179 PolarHBondContact O-N 3.44Å; A179-W181 VanDerWaalsContact C-N 3.34Å; A179-W181 PolarHBondContact O-N 3.2Å; A179-R182 WeakPolarHBondContact O-CB 3.29Å; A179-R182 PolarHBondContact O-N 3.49Å; A179-R182 VanDerWaalsContact O-N 3.09Å; A179-E183 VanDerWaalsContact O-CG 3.31Å; A179-E183 WeakPolarHBondContact O-CG 3.33Å; A179-E183 PolarHBondContact O-N 2.88Å |
| 180 | K | 85.3 | Confident | 77 | Confident | 150 Ų | 150 | 106 Ų | 106 | 65% | 0.652 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -54.7 | -46.2 | 179.1 | -71.2 | 175.8 | 179 | 178 | 0 | 112 | E176 E177 R182 E183 E184 | E176-K180 WeakPolarHBondContact O-CG 3.44Å; E176-K180 PolarHBondContact O-N 3.29Å; E177-K180 PolarHBondContact O-N 3Å; K180-R182 PolarHBondContact O-N 3.03Å; K180-E183 PolarHBondContact O-N 3.34Å; K180-E184 WeakPolarHBondContact O-CB 3.43Å; K180-E184 PolarHBondContact O-N 2.89Å |
| 181 | W | 82.3 | Confident | 78.1 | Confident | 88 Ų | 88 | 103.6 Ų | 103.6 | 33% | 0.333 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 177.3 | -174.2 | 89.2 | 0 | 0 | 0 | 113.1 | I170 L172 E177 A179 E183 R185 | I170-W181 HydrophobicContact CD1-CZ2 4.08Å; L172-W181 HydrophobicContact CD2-CB 4.16Å; L172-W181 HydrophobicContact CD2-CD2 4.33Å; L172-W181 HydrophobicContact CD2-CG 4.13Å; E177-W181 WeakPolarHBondContact O-CB 3.31Å; E177-W181 PolarHBondContact O-N 2.93Å; A179-W181 VanDerWaalsContact C-N 3.34Å; A179-W181 PolarHBondContact O-N 3.2Å; W181-E183 VanDerWaalsContact C-N 3.32Å; W181-R185 HydrophobicContact CD2-CG 4.48Å; W181-R185 VanDerWaalsContact O-CB 3.29Å; W181-R185 WeakPolarHBondContact O-CB 3.39Å; W181-R185 WeakPolarHBondContact O-CG 3.39Å; W181-R185 PolarHBondContact O-N 3.27Å; W181-R185 VanDerWaalsContact O-N 3.09Å |
| 182 | R | 81.2 | Confident | 79.2 | Confident | 157 Ų | 157 | 105.6 Ų | 105.6 | 59% | 0.592 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.8 | -37.3 | 173.6 | -76.2 | 171.3 | -178.9 | -175.6 | 4.2 | 111.4 | I178 A179 K180 R186 | I178-R182 HydrophobicContact CG2-CG 4.38Å; I178-R182 VanDerWaalsContact CG2-CZ 3.48Å; I178-R182 VanDerWaalsContact CG2-NE 3.29Å; I178-R182 VanDerWaalsContact O-CB 3.3Å; I178-R182 WeakPolarHBondContact O-CB 3.3Å; I178-R182 WeakPolarHBondContact O-CD 3.5Å; I178-R182 WeakPolarHBondContact O-CG 3.35Å; I178-R182 PolarHBondContact O-N 3.02Å; A179-R182 WeakPolarHBondContact O-CB 3.29Å; A179-R182 PolarHBondContact O-N 3.49Å; A179-R182 VanDerWaalsContact O-N 3.09Å; K180-R182 PolarHBondContact O-N 3.03Å; R182-R186 VanDerWaalsContact O-CB 3.28Å; R182-R186 WeakPolarHBondContact O-CB 3.22Å; R182-R186 PolarHBondContact O-N 3.36Å |
| 183 | E | 84 | Confident | 80.5 | Confident | 90 Ų | 90 | 109.3 Ų | 109.3 | 42% | 0.421 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -78.6 | -42.3 | -178.4 | -65.4 | -156.5 | 151.1 | 0 | 0 | 113.3 | A179 K180 W181 R185 R186 K187 | A179-E183 VanDerWaalsContact O-CG 3.31Å; A179-E183 WeakPolarHBondContact O-CG 3.33Å; A179-E183 PolarHBondContact O-N 2.88Å; K180-E183 PolarHBondContact O-N 3.34Å; W181-E183 VanDerWaalsContact C-N 3.32Å; E183-R185 VanDerWaalsContact C-N 3.28Å; E183-R185 PolarHBondContact O-N 2.75Å; E183-R186 CarbonylContact O-C 3.57Å; E183-R186 WeakPolarHBondContact O-CB 3.24Å; E183-R186 PolarHBondContact O-N 3.1Å; E183-R186 VanDerWaalsContact O-N 3.1Å; E183-R186 IonicContact OE1-NH1 2.69Å; E183-R186 PolarHBondContact OE1-NH1 3.11Å; E183-K187 WeakPolarHBondContact O-CB 3.48Å; E183-K187 VanDerWaalsContact O-CG 3.31Å; E183-K187 WeakPolarHBondContact O-CG 3.33Å; E183-K187 PolarHBondContact O-N 3.13Å |
| 184 | E | 82.4 | Confident | 81.4 | Confident | 107 Ų | 107 | 105.2 Ų | 105.2 | 50% | 0.5 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -56.8 | -44.5 | 170.6 | -167.6 | -137.9 | 135.2 | 0 | 0 | 110.4 | K180 R186 K187 N188 | K180-E184 WeakPolarHBondContact O-CB 3.43Å; K180-E184 PolarHBondContact O-N 2.89Å; E184-R186 VanDerWaalsContact C-N 3.35Å; E184-R186 PolarHBondContact O-N 2.82Å; E184-K187 PolarHBondContact O-N 2.88Å; E184-N188 WeakPolarHBondContact O-CB 3.46Å; E184-N188 PolarHBondContact O-N 3.1Å |
| 185 | R | 82.1 | Confident | 81.7 | Confident | 142 Ų | 142 | 106.5 Ų | 106.5 | 54% | 0.536 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73.5 | -21.3 | 176.4 | -66.9 | -178.7 | 66.9 | 76 | 1.8 | 114.3 | W181 E183 Y189 | W181-R185 HydrophobicContact CD2-CG 4.48Å; W181-R185 VanDerWaalsContact O-CB 3.29Å; W181-R185 WeakPolarHBondContact O-CB 3.39Å; W181-R185 WeakPolarHBondContact O-CG 3.39Å; W181-R185 PolarHBondContact O-N 3.27Å; W181-R185 VanDerWaalsContact O-N 3.09Å; E183-R185 VanDerWaalsContact C-N 3.28Å; E183-R185 PolarHBondContact O-N 2.75Å; R185-Y189 WeakPolarHBondContact O-CB 3.15Å; R185-Y189 PolarHBondContact O-N 3.37Å; R185-Y189 VanDerWaalsContact O-N 3.09Å |
| 186 | R | 84.3 | Confident | 82.1 | Confident | 153 Ų | 153 | 106 Ų | 106 | 58% | 0.577 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -74.7 | -46.8 | 169 | -167.6 | -169.7 | -59.4 | 139.3 | 2.5 | 110.1 | R182 E183 E184 N188 Y189 | R182-R186 VanDerWaalsContact O-CB 3.28Å; R182-R186 WeakPolarHBondContact O-CB 3.22Å; R182-R186 PolarHBondContact O-N 3.36Å; E183-R186 CarbonylContact O-C 3.57Å; E183-R186 WeakPolarHBondContact O-CB 3.24Å; E183-R186 PolarHBondContact O-N 3.1Å; E183-R186 VanDerWaalsContact O-N 3.1Å; E183-R186 IonicContact OE1-NH1 2.69Å; E183-R186 PolarHBondContact OE1-NH1 3.11Å; E184-R186 VanDerWaalsContact C-N 3.35Å; E184-R186 PolarHBondContact O-N 2.82Å; R186-N188 VanDerWaalsContact C-N 3.3Å; R186-N188 PolarHBondContact O-N 3.31Å; R186-Y189 VanDerWaalsContact O-CB 3.32Å; R186-Y189 WeakPolarHBondContact O-CB 3.41Å; R186-Y189 PolarHBondContact O-N 2.93Å |
| 187 | K | 81 | Confident | 82.6 | Confident | 154 Ų | 154 | 104.8 Ų | 104.8 | 67% | 0.67 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -58.7 | -38.1 | 173.1 | -72.5 | 174.4 | 179.7 | -179.2 | 0 | 111.7 | E183 E184 N194 | E183-K187 WeakPolarHBondContact O-CB 3.48Å; E183-K187 VanDerWaalsContact O-CG 3.31Å; E183-K187 WeakPolarHBondContact O-CG 3.33Å; E183-K187 PolarHBondContact O-N 3.13Å; E184-K187 PolarHBondContact O-N 2.88Å; K187-N194 PolarHBondContact O-ND2 3.23Å |
| 188 | N | 78.8 | Confident | 82.9 | Confident | 94 Ų | 94 | 107.5 Ų | 107.5 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 4.9 | 177.2 | -84.2 | -48.8 | 0 | 0 | 0 | 115.2 | E184 R186 | E184-N188 WeakPolarHBondContact O-CB 3.46Å; E184-N188 PolarHBondContact O-N 3.1Å; R186-N188 VanDerWaalsContact C-N 3.3Å; R186-N188 PolarHBondContact O-N 3.31Å |
| 189 | Y | 80.4 | Confident | 83.4 | Confident | 154 Ų | 154 | 112.2 Ų | 112.2 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -64.6 | 151.1 | -179.8 | -165.1 | -97 | 0 | 0 | 0 | 111.5 | R185 R186 T191 N194 | R185-Y189 WeakPolarHBondContact O-CB 3.15Å; R185-Y189 PolarHBondContact O-N 3.37Å; R185-Y189 VanDerWaalsContact O-N 3.09Å; R186-Y189 VanDerWaalsContact O-CB 3.32Å; R186-Y189 WeakPolarHBondContact O-CB 3.41Å; R186-Y189 PolarHBondContact O-N 2.93Å; Y189-T191 HydrophobicContact CD1-CG2 4.13Å; Y189-T191 PolarHBondContact O-N 3.35Å; Y189-N194 PolarHBondContact O-ND2 3.14Å |
| 190 | P | 82.8 | Confident | 83.5 | Confident | 96 Ų | 96 | 116.3 Ų | 116.3 | 62% | 0.623 | 52% | 0.516 | S | S | * | . | trans | -66.8 | 60.7 | 173.2 | -23.4 | 36.6 | 0 | 0 | 0 | 115 | ||||
| 191 | T | 83.8 | Confident | 83.5 | Confident | 50 Ų | 50 | 113.6 Ų | 113.6 | 31% | 0.307 | 51% | 0.511 | S | S | . | . | trans | -78.1 | 159.5 | 170.2 | 67.9 | 0 | 0 | 0 | 0 | 111 | Y189 Q193 N194 I195 | Y189-T191 HydrophobicContact CD1-CG2 4.13Å; Y189-T191 PolarHBondContact O-N 3.35Å; T191-Q193 VanDerWaalsContact C-N 3.3Å; T191-Q193 PolarHBondContact O-N 3.28Å; T191-N194 PolarHBondContact O-N 3.16Å; T191-N194 VanDerWaalsContact O-N 3.14Å; T191-N194 WeakPolarHBondContact OG1-CB 3.45Å; T191-N194 VanDerWaalsContact OG1-CG 3.27Å; T191-N194 PolarHBondContact OG1-N 3.24Å; T191-N194 PolarHBondContact OG1-ND2 2.96Å; T191-I195 WeakPolarHBondContact O-CG1 3.5Å; T191-I195 PolarHBondContact O-N 3Å | ||
| 192 | I | 82.4 | Confident | 83.4 | Confident | 150 Ų | 150 | 113 Ų | 113 | 77% | 0.769 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -55.7 | -46.2 | 177.8 | -59.8 | 173.7 | 0 | 0 | 0 | 110.7 | N194 I195 E196 | I192-N194 PolarHBondContact O-N 3.16Å; I192-I195 PolarHBondContact O-N 2.84Å; I192-E196 WeakPolarHBondContact O-CB 3.43Å; I192-E196 PolarHBondContact O-N 2.87Å |
| 193 | Q | 83.5 | Confident | 83.6 | Confident | 140 Ų | 140 | 110.4 Ų | 110.4 | 65% | 0.654 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.6 | -38.5 | 177.7 | -67.4 | 176.4 | -12.9 | 0 | 0 | 113.1 | T191 E196 R197 | T191-Q193 VanDerWaalsContact C-N 3.3Å; T191-Q193 PolarHBondContact O-N 3.28Å; Q193-E196 PolarHBondContact O-N 2.98Å; Q193-R197 WeakPolarHBondContact O-CB 3.42Å; Q193-R197 PolarHBondContact O-N 2.65Å |
| 194 | N | 83 | Confident | 83.6 | Confident | 16 Ų | 16 | 109.2 Ų | 109.2 | 9% | 0.086 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -73.9 | -34.9 | 178.1 | -74.4 | -20.7 | 0 | 0 | 0 | 112.5 | K187 Y189 T191 I192 E196 R197 K198 | K187-N194 PolarHBondContact O-ND2 3.23Å; Y189-N194 PolarHBondContact O-ND2 3.14Å; T191-N194 PolarHBondContact O-N 3.16Å; T191-N194 VanDerWaalsContact O-N 3.14Å; T191-N194 WeakPolarHBondContact OG1-CB 3.45Å; T191-N194 VanDerWaalsContact OG1-CG 3.27Å; T191-N194 PolarHBondContact OG1-N 3.24Å; T191-N194 PolarHBondContact OG1-ND2 2.96Å; I192-N194 PolarHBondContact O-N 3.16Å; N194-E196 VanDerWaalsContact C-N 3.34Å; N194-R197 PolarHBondContact OD1-NH1 3.33Å; N194-K198 WeakPolarHBondContact O-CB 3.43Å; N194-K198 WeakPolarHBondContact O-CG 3.16Å; N194-K198 PolarHBondContact O-N 3.14Å; N194-K198 VanDerWaalsContact O-N 3.1Å |
| 195 | I | 83.5 | Confident | 83.5 | Confident | 84 Ų | 84 | 109 Ų | 109 | 43% | 0.431 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.2 | -42.2 | 171.7 | -67.4 | 163.6 | 0 | 0 | 0 | 109.6 | T191 I192 K198 K199 | T191-I195 WeakPolarHBondContact O-CG1 3.5Å; T191-I195 PolarHBondContact O-N 3Å; I192-I195 PolarHBondContact O-N 2.84Å; I195-K198 PolarHBondContact O-N 3.42Å; I195-K199 WeakPolarHBondContact O-CG 3.48Å; I195-K199 PolarHBondContact O-N 3.4Å |
| 196 | E | 87.7 | Confident | 83.3 | Confident | 93 Ų | 93 | 107 Ų | 107 | 44% | 0.435 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.2 | -42.2 | 176.3 | -170.5 | -165.1 | -126.4 | 0 | 0 | 112.8 | I192 Q193 N194 K198 K199 R200 | I192-E196 WeakPolarHBondContact O-CB 3.43Å; I192-E196 PolarHBondContact O-N 2.87Å; Q193-E196 PolarHBondContact O-N 2.98Å; N194-E196 VanDerWaalsContact C-N 3.34Å; E196-K198 VanDerWaalsContact C-N 3.28Å; E196-K198 PolarHBondContact O-N 3.31Å; E196-K199 WeakPolarHBondContact O-CB 3.37Å; E196-K199 PolarHBondContact O-N 3.19Å; E196-R200 PolarHBondContact O-N 3.32Å; E196-R200 IonicContact OE2-CZ 3.63Å; E196-R200 IonicContact OE2-NE 3.02Å; E196-R200 IonicContact OE2-NH2 2.78Å; E196-R200 PolarHBondContact OE2-NH2 3.36Å |
| 197 | R | 85.5 | Confident | 83 | Confident | 113 Ų | 113 | 105 Ų | 105 | 43% | 0.426 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.8 | -44.8 | 172.4 | -167.8 | -174.2 | -59.9 | 111.2 | 9.8 | 110.4 | Q193 N194 R200 V201 | Q193-R197 WeakPolarHBondContact O-CB 3.42Å; Q193-R197 PolarHBondContact O-N 2.65Å; N194-R197 PolarHBondContact OD1-NH1 3.33Å; R197-R200 PolarHBondContact O-N 2.88Å; R197-V201 WeakPolarHBondContact O-CG2 3.39Å; R197-V201 PolarHBondContact O-N 2.88Å |
| 198 | K | 85.9 | Confident | 82.8 | Confident | 136 Ų | 136 | 100.9 Ų | 100.9 | 59% | 0.591 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -66 | -38 | 176.7 | -73.9 | 174.9 | 179.3 | 174.8 | 0 | 112.9 | N194 I195 E196 M202 | N194-K198 WeakPolarHBondContact O-CB 3.43Å; N194-K198 WeakPolarHBondContact O-CG 3.16Å; N194-K198 PolarHBondContact O-N 3.14Å; N194-K198 VanDerWaalsContact O-N 3.1Å; I195-K198 PolarHBondContact O-N 3.42Å; E196-K198 VanDerWaalsContact C-N 3.28Å; E196-K198 PolarHBondContact O-N 3.31Å; K198-M202 WeakPolarHBondContact O-CG 3.35Å; K198-M202 PolarHBondContact O-N 3.44Å; K198-M202 VanDerWaalsContact O-N 3.13Å |
| 199 | K | 87.4 | Confident | 82.4 | Confident | 142 Ų | 142 | 96.6 Ų | 96.6 | 62% | 0.617 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60.8 | -49.8 | 170.9 | -76.3 | 178.6 | 176.3 | -174.6 | 0 | 111.5 | I195 E196 V201 M202 E203 | I195-K199 WeakPolarHBondContact O-CG 3.48Å; I195-K199 PolarHBondContact O-N 3.4Å; E196-K199 WeakPolarHBondContact O-CB 3.37Å; E196-K199 PolarHBondContact O-N 3.19Å; K199-V201 VanDerWaalsContact C-N 3.31Å; K199-V201 PolarHBondContact O-N 3.32Å; K199-M202 WeakPolarHBondContact O-CB 3.38Å; K199-M202 PolarHBondContact O-N 3.34Å; K199-M202 VanDerWaalsContact O-N 3.1Å; K199-E203 WeakPolarHBondContact O-CB 3.3Å; K199-E203 PolarHBondContact O-N 3.11Å |
| 200 | R | 86.6 | Confident | 82 | Confident | 134 Ų | 134 | 89.8 Ų | 89.8 | 51% | 0.506 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.3 | -37.4 | 179 | -75.3 | -173.9 | -85.8 | 160 | -14.5 | 112.7 | E196 R197 E203 V204 | E196-R200 PolarHBondContact O-N 3.32Å; E196-R200 IonicContact OE2-CZ 3.63Å; E196-R200 IonicContact OE2-NE 3.02Å; E196-R200 IonicContact OE2-NH2 2.78Å; E196-R200 PolarHBondContact OE2-NH2 3.36Å; R197-R200 PolarHBondContact O-N 2.88Å; R200-E203 PolarHBondContact O-N 2.93Å; R200-V204 WeakPolarHBondContact O-CB 3.43Å; R200-V204 VanDerWaalsContact O-CG2 3.29Å; R200-V204 WeakPolarHBondContact O-CG2 3.2Å; R200-V204 PolarHBondContact O-N 2.91Å |
| 201 | V | 84.8 | Confident | 81.4 | Confident | 92 Ų | 92 | 89.3 Ų | 89.3 | 56% | 0.558 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -66.3 | -39.4 | 174 | 170.8 | 0 | 0 | 0 | 0 | 112.1 | R197 K199 R205 | R197-V201 WeakPolarHBondContact O-CG2 3.39Å; R197-V201 PolarHBondContact O-N 2.88Å; K199-V201 VanDerWaalsContact C-N 3.31Å; K199-V201 PolarHBondContact O-N 3.32Å; V201-R205 WeakPolarHBondContact O-CB 3.15Å; V201-R205 PolarHBondContact O-N 3.2Å; V201-R205 VanDerWaalsContact O-N 3.13Å |
| 202 | M | 80.1 | Confident | 80.9 | Confident | 77 Ų | 77 | 89.9 Ų | 89.9 | 38% | 0.379 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.4 | -44.1 | 173.7 | -71.8 | -64.5 | -63 | 0 | 0 | 111.9 | K198 K199 R205 E206 | K198-M202 WeakPolarHBondContact O-CG 3.35Å; K198-M202 PolarHBondContact O-N 3.44Å; K198-M202 VanDerWaalsContact O-N 3.13Å; K199-M202 WeakPolarHBondContact O-CB 3.38Å; K199-M202 PolarHBondContact O-N 3.34Å; K199-M202 VanDerWaalsContact O-N 3.1Å; M202-R205 CarbonylContact O-C 3.59Å; M202-R205 WeakPolarHBondContact O-CA 3.39Å; M202-R205 WeakPolarHBondContact O-CB 3.47Å; M202-R205 PolarHBondContact O-N 3.48Å; M202-R205 VanDerWaalsContact O-N 3.17Å; M202-E206 WeakPolarHBondContact O-CG 3.48Å; M202-E206 PolarHBondContact O-N 3.05Å |
| 203 | E | 84.9 | Confident | 80.2 | Confident | 101 Ų | 101 | 89.3 Ų | 89.3 | 47% | 0.472 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 178 | -176.3 | -178 | -173.3 | 0 | 0 | 111.8 | K199 R200 R205 E206 Q207 | K199-E203 WeakPolarHBondContact O-CB 3.3Å; K199-E203 PolarHBondContact O-N 3.11Å; R200-E203 PolarHBondContact O-N 2.93Å; E203-R205 VanDerWaalsContact C-N 3.27Å; E203-R205 PolarHBondContact O-N 3.34Å; E203-E206 CarbonylContact O-C 3.53Å; E203-E206 PolarHBondContact O-N 3.08Å; E203-E206 VanDerWaalsContact O-N 3.07Å; E203-Q207 HydrophobicContact CG-CG 4.47Å; E203-Q207 WeakPolarHBondContact O-CG 3.42Å; E203-Q207 PolarHBondContact O-N 3.33Å; E203-Q207 PolarHBondContact OE1-NE2 2.84Å |
| 204 | V | 85.1 | Confident | 79.2 | Confident | 65 Ų | 65 | 86.4 Ų | 86.4 | 39% | 0.394 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60 | -39.5 | 174.3 | 167.1 | 0 | 0 | 0 | 0 | 110.9 | R200 E206 Q207 I208 | R200-V204 WeakPolarHBondContact O-CB 3.43Å; R200-V204 VanDerWaalsContact O-CG2 3.29Å; R200-V204 WeakPolarHBondContact O-CG2 3.2Å; R200-V204 PolarHBondContact O-N 2.91Å; V204-E206 PolarHBondContact O-N 3.47Å; V204-Q207 PolarHBondContact O-N 3.21Å; V204-I208 HydrophobicContact CG1-CD1 3.69Å; V204-I208 HydrophobicContact CG1-CG1 4.44Å; V204-I208 VanDerWaalsContact O-CB 3.24Å; V204-I208 WeakPolarHBondContact O-CB 3.33Å; V204-I208 VanDerWaalsContact O-CG1 3.22Å; V204-I208 WeakPolarHBondContact O-CG1 3.4Å; V204-I208 PolarHBondContact O-N 3.25Å |
| 205 | R | 79.1 | Confident | 78.3 | Confident | 103 Ų | 103 | 89.6 Ų | 89.6 | 39% | 0.389 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.3 | -38.2 | 173.6 | 174.1 | -179.6 | 176 | 152.7 | 2.2 | 112.4 | V201 M202 E203 G209 G210 L212 | V201-R205 WeakPolarHBondContact O-CB 3.15Å; V201-R205 PolarHBondContact O-N 3.2Å; V201-R205 VanDerWaalsContact O-N 3.13Å; M202-R205 CarbonylContact O-C 3.59Å; M202-R205 WeakPolarHBondContact O-CA 3.39Å; M202-R205 WeakPolarHBondContact O-CB 3.47Å; M202-R205 PolarHBondContact O-N 3.48Å; M202-R205 VanDerWaalsContact O-N 3.17Å; E203-R205 VanDerWaalsContact C-N 3.27Å; E203-R205 PolarHBondContact O-N 3.34Å; R205-G209 PolarHBondContact O-N 2.81Å; R205-G210 PolarHBondContact NE-O 2.95Å; R205-G210 PolarHBondContact NH2-O 2.84Å; R205-G210 PolarHBondContact O-N 2.93Å; R205-L212 PolarHBondContact NH2-O 3.27Å |
| 206 | E | 78.3 | Confident | 77.2 | Confident | 101 Ų | 101 | 90.5 Ų | 90.5 | 47% | 0.472 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -72.2 | -39.4 | 176 | -72.9 | 171.1 | -156.7 | 0 | 0 | 112.5 | M202 E203 V204 G209 R414 | M202-E206 WeakPolarHBondContact O-CG 3.48Å; M202-E206 PolarHBondContact O-N 3.05Å; E203-E206 CarbonylContact O-C 3.53Å; E203-E206 PolarHBondContact O-N 3.08Å; E203-E206 VanDerWaalsContact O-N 3.07Å; V204-E206 PolarHBondContact O-N 3.47Å; E206-G209 WeakPolarHBondContact O-CA 3.36Å; E206-G209 PolarHBondContact O-N 3.07Å; E206-R414 PolarHBondContact O-NH1 2.75Å |
| 207 | Q | 77.5 | Confident | 75.8 | Confident | 109 Ų | 109 | 90 Ų | 90 | 51% | 0.509 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 172.2 | -70.2 | 176.9 | 10.5 | 0 | 0 | 111.2 | E203 V204 G209 R414 | E203-Q207 HydrophobicContact CG-CG 4.47Å; E203-Q207 WeakPolarHBondContact O-CG 3.42Å; E203-Q207 PolarHBondContact O-N 3.33Å; E203-Q207 PolarHBondContact OE1-NE2 2.84Å; V204-Q207 PolarHBondContact O-N 3.21Å; Q207-G209 PolarHBondContact O-N 3.37Å; Q207-R414 PolarHBondContact O-NH1 2.94Å |
| 208 | I | 76.8 | Confident | 74.3 | Confident | 69 Ų | 69 | 88 Ų | 88 | 35% | 0.354 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -15.7 | 171.2 | -71.2 | 171.3 | 0 | 0 | 0 | 112 | V204 A320 Q411 | V204-I208 HydrophobicContact CG1-CD1 3.69Å; V204-I208 HydrophobicContact CG1-CG1 4.44Å; V204-I208 VanDerWaalsContact O-CB 3.24Å; V204-I208 WeakPolarHBondContact O-CB 3.33Å; V204-I208 VanDerWaalsContact O-CG1 3.22Å; V204-I208 WeakPolarHBondContact O-CG1 3.4Å; V204-I208 PolarHBondContact O-N 3.25Å; I208-A320 HydrophobicContact CD1-CB 4.3Å; I208-Q411 WeakPolarHBondContact O-CG 3.43Å; I208-Q411 PolarHBondContact O-NE2 2.89Å |
| 209 | G | 70.6 | Confident | 72.6 | Confident | 4 Ų | 4 | 90.4 Ų | 90.4 | 4% | 0.041 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | 12.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | R205 E206 Q207 V211 | R205-G209 PolarHBondContact O-N 2.81Å; E206-G209 WeakPolarHBondContact O-CA 3.36Å; E206-G209 PolarHBondContact O-N 3.07Å; Q207-G209 PolarHBondContact O-N 3.37Å; G209-V211 PolarHBondContact O-N 2.92Å |
| 210 | G | 72.9 | Confident | 70.2 | Confident | 10 Ų | 10 | 90.1 Ų | 90.1 | 10% | 0.103 | 46% | 0.457 | C | S | . | . | trans | -73.6 | 40.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R205 L212 N407 | R205-G210 PolarHBondContact NE-O 2.95Å; R205-G210 PolarHBondContact NH2-O 2.84Å; R205-G210 PolarHBondContact O-N 2.93Å; G210-L212 VanDerWaalsContact C-N 3.35Å; G210-L212 PolarHBondContact O-N 3.39Å; G210-N407 WeakPolarHBondContact CA-OD1 3.21Å | ||
| 211 | V | 69.3 | Low | 68.4 | Low | 87 Ų | 87 | 95.4 Ų | 95.4 | 53% | 0.527 | 48% | 0.478 | S | S | . | . | trans | -72.1 | -21.9 | -164.2 | 177.5 | 0 | 0 | 0 | 0 | 113.2 | G209 E213 N407 | G209-V211 PolarHBondContact O-N 2.92Å; V211-E213 PolarHBondContact O-N 3.18Å; V211-N407 PolarHBondContact N-OD1 3.05Å | ||
| 212 | L | 73.4 | Confident | 66.3 | Low | 61 Ų | 61 | 93.9 Ų | 93.9 | 32% | 0.319 | 48% | 0.48 | S | S | . | . | trans | -70.5 | 102.4 | 175.7 | -63.4 | 175.2 | 0 | 0 | 0 | 110.4 | R205 G210 R406 N407 L410 | R205-L212 PolarHBondContact NH2-O 3.27Å; G210-L212 VanDerWaalsContact C-N 3.35Å; G210-L212 PolarHBondContact O-N 3.39Å; L212-R406 HydrophobicContact CD1-CB 3.36Å; L212-R406 HydrophobicContact CD1-CG 4.41Å; L212-N407 WeakPolarHBondContact CB-OD1 3.35Å; L212-N407 PolarHBondContact N-OD1 2.82Å; L212-L410 HydrophobicContact CD1-CD1 3.83Å; L212-L410 HydrophobicContact CD2-CD1 4.27Å; L212-L410 HydrophobicContact CG-CD1 3.82Å | ||
| 213 | E | 68.6 | Low | 64.5 | Low | 138 Ų | 138 | 100.9 Ų | 100.9 | 65% | 0.645 | 50% | 0.502 | S | S | * | . | trans | -58.7 | 160.6 | 168.8 | -69.9 | -157.6 | 137.1 | 0 | 0 | 112.1 | V211 T215 | V211-E213 PolarHBondContact O-N 3.18Å; E213-T215 PolarHBondContact O-N 2.92Å | ||
| 214 | T | 62.8 | Low | 62.4 | Low | 80 Ų | 80 | 99.6 Ų | 99.6 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | trans | -70.6 | 96.5 | 170.3 | 50.5 | 0 | 0 | 0 | 0 | 110 | Q216 | T214-Q216 PolarHBondContact O-N 3.07Š| ||
| 215 | T | 63.7 | Low | 60.5 | Low | 83 Ų | 83 | 107.8 Ų | 107.8 | 51% | 0.509 | 54% | 0.54 | S | S | . | . | trans | -50.3 | 106.2 | 158.5 | 44.3 | 0 | 0 | 0 | 0 | 107.9 | E213 F217 R403 | E213-T215 PolarHBondContact O-N 2.92Å; T215-F217 WeakPolarHBondContact O-CD2 3.37Å; T215-F217 WeakPolarHBondContact O-CE2 3.27Å; T215-F217 PolarHBondContact O-N 2.88Å; T215-F217 WeakPolarHBondContact OG1-CE2 3.09Å; T215-F217 WeakPolarHBondContact OG1-CZ 3.48Å; T215-R403 PolarHBondContact O-NH1 2.99Å | ||
| 216 | Q | 60.1 | Low | 58.6 | Low | 103 Ų | 103 | 106.1 Ų | 106.1 | 48% | 0.481 | 56% | 0.555 | S | S | . | * | trans | -87 | 66.5 | -163.3 | 34.4 | -168.1 | -46.5 | 0 | 0 | 109.7 | T214 G218 R219 | T214-Q216 PolarHBondContact O-N 3.07Å; Q216-G218 PolarHBondContact O-N 3.16Å; Q216-R219 HydrophobicContact CB-CG 3.77Å; Q216-R219 HydrophobicContact CG-CG 3.78Å; Q216-R219 WeakPolarHBondContact O-CB 3.23Å; Q216-R219 PolarHBondContact O-N 2.94Å; Q216-R219 VanDerWaalsContact OE1-CZ 3.29Å | ||
| 217 | F | 58.7 | Low | 56.8 | Low | 83 Ų | 83 | 112.1 Ų | 112.1 | 36% | 0.364 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -48.6 | 125.8 | 171.1 | -53.4 | -74.9 | 0 | 0 | 0 | 109 | T215 A391 M396 A399 | T215-F217 WeakPolarHBondContact O-CD2 3.37Å; T215-F217 WeakPolarHBondContact O-CE2 3.27Å; T215-F217 PolarHBondContact O-N 2.88Å; T215-F217 WeakPolarHBondContact OG1-CE2 3.09Å; T215-F217 WeakPolarHBondContact OG1-CZ 3.48Å; F217-A391 HydrophobicContact CD1-CB 3.79Å; F217-A391 HydrophobicContact CE1-CB 3.73Å; F217-M396 HydrophobicContact CB-CE 4.31Å; F217-M396 HydrophobicContact CB-CG 4.16Å; F217-M396 HydrophobicContact CG-CG 4.38Å; F217-A399 HydrophobicContact CD2-CB 3.86Å; F217-A399 HydrophobicContact CE2-CB 3.65Å |
| 218 | G | 54.7 | Low | 54.8 | Low | 70 Ų | 70 | 110.9 Ų | 110.9 | 72% | 0.722 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.6 | -3.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q216 M220 | Q216-G218 PolarHBondContact O-N 3.16Å; G218-M220 PolarHBondContact O-N 3.26Å |
| 219 | R | 48.6 | Very low | 53.2 | Low | 187 Ų | 187 | 118.3 Ų | 118.3 | 71% | 0.706 | 61% | 0.614 | S | S | * | * | trans | -61.7 | 96.3 | 147.6 | -74.3 | -74.6 | -164.9 | -122.8 | -18.8 | 106.4 | Q216 R221 | Q216-R219 HydrophobicContact CB-CG 3.77Å; Q216-R219 HydrophobicContact CG-CG 3.78Å; Q216-R219 WeakPolarHBondContact O-CB 3.23Å; Q216-R219 PolarHBondContact O-N 2.94Å; Q216-R219 VanDerWaalsContact OE1-CZ 3.29Å; R219-R221 VanDerWaalsContact C-N 3.32Å; R219-R221 PolarHBondContact O-N 2.96Å | ||
| 220 | M | 38.2 | Very low | 51.4 | Low | 135 Ų | 135 | 121.5 Ų | 121.5 | 67% | 0.665 | 65% | 0.647 | S | S | * | * | trans | -59.5 | 99.6 | 175.8 | 174.5 | 160.7 | 52.9 | 0 | 0 | 107.7 | G218 G222 | G218-M220 PolarHBondContact O-N 3.26Å; M220-G222 VanDerWaalsContact C-N 3.34Å; M220-G222 VanDerWaalsContact O-CA 3.29Å; M220-G222 WeakPolarHBondContact O-CA 3.45Å; M220-G222 PolarHBondContact O-N 3.21Å | ||
| 221 | R | 47.7 | Very low | 49.7 | Very low | 246 Ų | 246 | 131.2 Ų | 131.2 | 93% | 0.928 | 68% | 0.68 | S | S | * | * | trans | -56.7 | 100.2 | 177.4 | -167.2 | -179.4 | -156.3 | -124.5 | 6.7 | 106.5 | R219 R223 | R219-R221 VanDerWaalsContact C-N 3.32Å; R219-R221 PolarHBondContact O-N 2.96Å; R221-R223 PolarHBondContact O-N 2.97Å | ||
| 222 | G | 41.3 | Very low | 48.1 | Very low | 59 Ų | 59 | 131.3 Ų | 131.3 | 61% | 0.608 | 70% | 0.699 | S | S | * | * | trans | -48.9 | 128.4 | -149.6 | 0 | 0 | 0 | 0 | 0 | 112 | M220 G224 | M220-G222 VanDerWaalsContact C-N 3.34Å; M220-G222 VanDerWaalsContact O-CA 3.29Å; M220-G222 WeakPolarHBondContact O-CA 3.45Å; M220-G222 PolarHBondContact O-N 3.21Å; G222-G224 WeakPolarHBondContact O-CA 3.36Å; G222-G224 PolarHBondContact O-N 3.32Å | ||
| 223 | R | 42.8 | Very low | 46.3 | Very low | 224 Ų | 224 | 134.8 Ų | 134.8 | 85% | 0.845 | 71% | 0.713 | S | S | * | * | trans | -50 | 111.5 | 177.1 | -81.7 | -172.2 | 176.6 | -97.5 | 5.6 | 107.6 | R221 R225 | R221-R223 PolarHBondContact O-N 2.97Å; R223-R225 PolarHBondContact O-N 3.17Å | ||
| 224 | G | 41.4 | Very low | 45.1 | Very low | 74 Ų | 74 | 132 Ų | 132 | 76% | 0.763 | 72% | 0.722 | S | S | * | * | trans | -65.1 | 100.5 | -155.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G222 G226 | G222-G224 WeakPolarHBondContact O-CA 3.36Å; G222-G224 PolarHBondContact O-N 3.32Å; G224-G226 PolarHBondContact O-N 2.85Å; G224-G226 VanDerWaalsContact O-N 3.13Å | ||
| 225 | R | 43.9 | Very low | 43.7 | Very low | 237 Ų | 237 | 140.2 Ų | 140.2 | 89% | 0.894 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -62 | 109.3 | 155.4 | -72.7 | -169.8 | 178.4 | -137.1 | 3.4 | 107 | R223 | R223-R225 PolarHBondContact O-N 3.17Š|
| 226 | G | 39 | Very low | 42.2 | Very low | 69 Ų | 69 | 139.4 Ų | 139.4 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | 61.9 | 110.8 | 170 | 0 | 0 | 0 | 0 | 0 | 116.3 | G224 G228 | G224-G226 PolarHBondContact O-N 2.85Å; G224-G226 VanDerWaalsContact O-N 3.13Å; G226-G228 PolarHBondContact O-N 3.19Å; G226-G228 VanDerWaalsContact O-N 3.14Å | ||
| 227 | R | 39.9 | Very low | 41.1 | Very low | 226 Ų | 226 | 142.6 Ų | 142.6 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -68.5 | 110.5 | 158.1 | -85.5 | -174.1 | 171.8 | -168.9 | -0.5 | 109.1 | R229 | R227-R229 PolarHBondContact O-N 3.36Š| ||
| 228 | G | 37.3 | Very low | 40 | Very low | 84 Ų | 84 | 150.3 Ų | 150.3 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | trans | -63.6 | 80.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | G226 | G226-G228 PolarHBondContact O-N 3.19Å; G226-G228 VanDerWaalsContact O-N 3.14Å | ||
| 229 | R | 42.3 | Very low | 39.1 | Very low | 225 Ų | 225 | 150 Ų | 150 | 85% | 0.849 | 80% | 0.796 | S | S | * | * | trans | -142.6 | 77.3 | 170.6 | -88.5 | -162.5 | 172.7 | -114.7 | -1.5 | 110.7 | R227 | R227-R229 PolarHBondContact O-N 3.36Š| ||
| 230 | G | 33.9 | Very low | 38.5 | Very low | 71 Ų | 71 | 147.3 Ų | 147.3 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -178.2 | 135.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 231 | R | 37 | Very low | 38.4 | Very low | 213 Ų | 213 | 147.9 Ų | 147.9 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | 56.8 | 67.1 | 169 | -59.5 | -175.2 | -172.9 | -83 | 2.6 | 116.3 | H233 | R231-H233 PolarHBondContact O-N 2.79Š| ||
| 232 | G | 35.9 | Very low | 37.8 | Very low | 89 Ų | 89 | 141.7 Ų | 141.7 | 92% | 0.918 | 80% | 0.799 | S | S | * | * | trans | -69.4 | 79.7 | 143.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 233 | H | 35.3 | Very low | 37.5 | Very low | 134 Ų | 134 | 145.4 Ų | 145.4 | 62% | 0.62 | 81% | 0.805 | S | S | * | * | trans | -96.1 | 125.4 | 160.9 | -84.1 | -81.7 | 0 | 0 | 0 | 107.7 | R231 W235 | R231-H233 PolarHBondContact O-N 2.79Å; H233-W235 PolarHBondContact O-N 3.36Å | ||
| 234 | G | 42.3 | Very low | 37.1 | Very low | 81 Ų | 81 | 142.6 Ų | 142.6 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -67.5 | 115.4 | -177 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 235 | W | 34 | Very low | 36.7 | Very low | 251 Ų | 251 | 142.7 Ų | 142.7 | 95% | 0.951 | 81% | 0.808 | S | S | * | * | trans | -120.8 | 116.8 | 152.7 | -65.1 | 69.7 | 0 | 0 | 0 | 104.8 | H233 | H233-W235 PolarHBondContact O-N 3.36Š| ||
| 236 | G | 32.7 | Very low | 36.2 | Very low | 66 Ų | 66 | 138.6 Ų | 138.6 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | cis | 129.9 | -3.2 | 16.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R238 | G236-R238 PolarHBondContact O-N 3.14Š| ||
| 237 | N | 35.6 | Very low | 36 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | trans | -70.9 | 113.1 | 173.4 | -79.9 | -18.4 | 0 | 0 | 0 | 110.5 | G239 | N237-G239 PolarHBondContact O-N 2.91Š| ||
| 238 | R | 37 | Very low | 35.8 | Very low | 245 Ų | 245 | 133.9 Ų | 133.9 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | trans | -78.6 | 104.5 | 171.6 | -61.1 | 178.9 | -176.7 | -178.7 | 0.2 | 109.1 | G236 | G236-R238 PolarHBondContact O-N 3.14Š| ||
| 239 | G | 34.3 | Very low | 36 | Very low | 63 Ų | 63 | 139 Ų | 139 | 65% | 0.649 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 142.9 | 153.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | N237 | N237-G239 PolarHBondContact O-N 2.91Š|
| 240 | P | 36.8 | Very low | 35.4 | Very low | 131 Ų | 131 | 134.5 Ų | 134.5 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 139.6 | 172.4 | -23.4 | 34.7 | 0 | 0 | 0 | 111.5 | ||
| 241 | L | 35.3 | Very low | 35.7 | Very low | 148 Ų | 148 | 136.8 Ų | 136.8 | 78% | 0.775 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 126 | 177.5 | -162.3 | 80.3 | 0 | 0 | 0 | 109.3 | L243 | L241-L243 PolarHBondContact O-N 3.2Š|
| 242 | P | 35.4 | Very low | 36 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 75% | 0.747 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 125.9 | 162.9 | 29.6 | -31.1 | 0 | 0 | 0 | 108.6 | ||
| 243 | L | 35.7 | Very low | 35.9 | Very low | 138 Ų | 138 | 137.1 Ų | 137.1 | 72% | 0.723 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 159.4 | 167.8 | -93.1 | 74.7 | 0 | 0 | 0 | 110.4 | L241 | L241-L243 PolarHBondContact O-N 3.2Š|
| 244 | N | 33.4 | Very low | 35.9 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | trans | 91.3 | 123.1 | 174.3 | -50.6 | -22 | 0 | 0 | 0 | 115.1 | ||||
| 245 | G | 32.7 | Very low | 35.4 | Very low | 77 Ų | 77 | 142.4 Ų | 142.4 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | 153 | 93.7 | -176 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 246 | T | 33.5 | Very low | 35.3 | Very low | 151 Ų | 151 | 138.6 Ų | 138.6 | 93% | 0.926 | 81% | 0.812 | S | S | * | * | trans | -59.1 | 145.4 | -175.6 | -13.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 247 | A | 35.5 | Very low | 35.2 | Very low | 100 Ų | 100 | 143.4 Ų | 143.4 | 83% | 0.826 | 82% | 0.821 | S | S | * | * | trans | -73.5 | 138.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 248 | A | 35.9 | Very low | 35.2 | Very low | 96 Ų | 96 | 139.3 Ų | 139.3 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | trans | -130.6 | 118.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 249 | E | 40.5 | Very low | 35.1 | Very low | 191 Ų | 191 | 134.4 Ų | 134.4 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | -80.4 | 149.6 | 178.2 | -61.1 | -168.7 | 131.7 | 0 | 0 | 111.2 | ||||
| 250 | T | 30.8 | Very low | 34.9 | Very low | 131 Ų | 131 | 135.1 Ų | 135.1 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -134.3 | 114.9 | 171.6 | -42.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 251 | P | 40.7 | Very low | 35.3 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 149.1 | -172.5 | 29 | -34.5 | 0 | 0 | 0 | 112.2 | ||
| 252 | K | 43.3 | Very low | 36.7 | Very low | 194 Ų | 194 | 130.8 Ų | 130.8 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 133.2 | 168.9 | -72.1 | 170.7 | -179.4 | 162.7 | 0 | 109.5 | ||
| 253 | P | 32.5 | Very low | 37.7 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 134.1 | 172.9 | 27.6 | -33.4 | 0 | 0 | 0 | 111 | ||
| 254 | L | 35.3 | Very low | 38.4 | Very low | 171 Ų | 171 | 130 Ų | 130 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 149.8 | 166.4 | -71.2 | 109.8 | 0 | 0 | 0 | 110.2 | ||
| 255 | N | 32.5 | Very low | 39.4 | Very low | 156 Ų | 156 | 124.3 Ų | 124.3 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | -141.3 | 106 | 170.7 | -89.4 | -57.3 | 0 | 0 | 0 | 109.7 | ||||
| 256 | H | 30.9 | Very low | 40.3 | Very low | 170 Ų | 170 | 126.2 Ų | 126.2 | 79% | 0.787 | 77% | 0.77 | S | S | * | * | trans | -161 | 108.2 | 162.7 | -165.8 | -78 | 0 | 0 | 0 | 112.8 | ||||
| 257 | L | 32.3 | Very low | 41 | Very low | 167 Ų | 167 | 126 Ų | 126 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | 175.6 | 99.7 | 154.9 | -95.9 | 177.1 | 0 | 0 | 0 | 103.9 | ||||
| 258 | S | 34.3 | Very low | 41.6 | Very low | 85 Ų | 85 | 125.5 Ų | 125.5 | 59% | 0.594 | 76% | 0.758 | S | S | * | * | 92.2 | 121.2 | 53.7 | -165.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 259 | T | 35.4 | Very low | 41.9 | Very low | 142 Ų | 142 | 125.7 Ų | 125.7 | 87% | 0.871 | 75% | 0.753 | S | S | * | * | trans | 75.9 | 105.9 | 161.1 | -42 | 0 | 0 | 0 | 0 | 118 | ||||
| 260 | G | 29.4 | Very low | 41.8 | Very low | 77 Ų | 77 | 122 Ų | 122 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | trans | 173.1 | 116.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 261 | G | 45.4 | Very low | 42.2 | Very low | 73 Ų | 73 | 123.1 Ų | 123.1 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | trans | -83.9 | 153.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | P263 | G261-P263 WeakPolarHBondContact O-CD 3.44Š| ||
| 262 | D | 64.5 | Low | 42.2 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 62% | 0.615 | 75% | 0.746 | S | S | * | * | trans | -63.3 | 117.5 | 174.6 | 179.5 | -5.7 | 0 | 0 | 0 | 110.5 | L264 G265 | D262-L264 PolarHBondContact O-N 3.21Å; D262-L264 WeakPolarHBondContact OD1-CB 3.33Å; D262-L264 PolarHBondContact OD1-N 2.83Å; D262-G265 PolarHBondContact O-N 2.92Å | ||
| 263 | P | 57.5 | Low | 41.6 | Very low | 109 Ų | 109 | 122.5 Ų | 122.5 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -17.9 | -177.6 | 28.6 | -35.7 | 0 | 0 | 0 | 113.6 | G261 | G261-P263 WeakPolarHBondContact O-CD 3.44Š|
| 264 | L | 51 | Low | 41.5 | Very low | 128 Ų | 128 | 121 Ų | 121 | 67% | 0.67 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -19.3 | -178.7 | -63.6 | 172.1 | 0 | 0 | 0 | 113 | D262 V266 L267 | D262-L264 PolarHBondContact O-N 3.21Å; D262-L264 WeakPolarHBondContact OD1-CB 3.33Å; D262-L264 PolarHBondContact OD1-N 2.83Å; L264-V266 PolarHBondContact O-N 2.98Å; L264-V266 VanDerWaalsContact O-N 3.15Å; L264-L267 PolarHBondContact O-N 3.2Å |
| 265 | G | 54.3 | Low | 41.3 | Very low | 45 Ų | 45 | 119.8 Ų | 119.8 | 46% | 0.464 | 73% | 0.726 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.4 | -19.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D262 | D262-G265 PolarHBondContact O-N 2.92Š|
| 266 | V | 51.6 | Low | 41.5 | Very low | 116 Ų | 116 | 121.6 Ų | 121.6 | 70% | 0.703 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -30 | -176.7 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | L264 A268 | L264-V266 PolarHBondContact O-N 2.98Å; L264-V266 VanDerWaalsContact O-N 3.15Å; V266-A268 VanDerWaalsContact C-N 3.32Å; V266-A268 PolarHBondContact O-N 2.89Å |
| 267 | L | 47.1 | Very low | 41.7 | Very low | 146 Ų | 146 | 121 Ų | 121 | 76% | 0.764 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -79.9 | -11 | -174.6 | -61.6 | 178.3 | 0 | 0 | 0 | 113.9 | L264 S269 | L264-L267 PolarHBondContact O-N 3.2Å; L267-S269 VanDerWaalsContact C-N 3.32Å; L267-S269 PolarHBondContact O-N 3.42Å |
| 268 | A | 49.6 | Very low | 42 | Very low | 90 Ų | 90 | 120.9 Ų | 120.9 | 74% | 0.744 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -88.6 | 14.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | V266 | V266-A268 VanDerWaalsContact C-N 3.32Å; V266-A268 PolarHBondContact O-N 2.89Å |
| 269 | S | 41.2 | Very low | 41.8 | Very low | 100 Ų | 100 | 120.9 Ų | 120.9 | 70% | 0.699 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -130.8 | 19.8 | -167.5 | -61.3 | 0 | 0 | 0 | 0 | 115.7 | L267 | L267-S269 VanDerWaalsContact C-N 3.32Å; L267-S269 PolarHBondContact O-N 3.42Å |
| 270 | T | 39.3 | Very low | 41.7 | Very low | 114 Ų | 114 | 119.2 Ų | 119.2 | 70% | 0.699 | 71% | 0.713 | S | S | * | * | trans | -142.9 | 102.3 | 172.6 | -33.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 271 | D | 38.8 | Very low | 41.8 | Very low | 154 Ų | 154 | 124.2 Ų | 124.2 | 82% | 0.824 | 72% | 0.718 | S | S | * | * | -176.9 | 160 | 106.3 | -103 | -36.8 | 0 | 0 | 0 | 112.9 | |||||
| 272 | Q | 40.5 | Very low | 41.1 | Very low | 170 Ų | 170 | 124.8 Ų | 124.8 | 79% | 0.794 | 72% | 0.716 | S | S | * | * | trans | -113.8 | 176.2 | 173.9 | -56.7 | 171.7 | -126.5 | 0 | 0 | 108.2 | ||||
| 273 | D | 29.7 | Very low | 39.7 | Very low | 131 Ų | 131 | 122.8 Ų | 122.8 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | cis | -163.3 | -177 | 7.8 | -140.1 | -41.8 | 0 | 0 | 0 | 111 | ||||
| 274 | S | 31.8 | Very low | 38.7 | Very low | 82 Ų | 82 | 125.1 Ų | 125.1 | 57% | 0.573 | 73% | 0.728 | S | S | * | * | trans | 72.4 | 112.1 | 149.3 | -167.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 275 | D | 30.7 | Very low | 38.5 | Very low | 146 Ų | 146 | 126.2 Ų | 126.2 | 78% | 0.781 | 74% | 0.739 | S | S | * | * | trans | 52.5 | 139.9 | 131.1 | -44.9 | -51 | 0 | 0 | 0 | 121.8 | ||||
| 276 | K | 35.4 | Very low | 38 | Very low | 193 Ų | 193 | 129.2 Ų | 129.2 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | -177.5 | 144.2 | 51.9 | -172 | 171.1 | -179.7 | 173.3 | 0 | 115.3 | |||||
| 277 | E | 35.9 | Very low | 37.6 | Very low | 157 Ų | 157 | 127.7 Ų | 127.7 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | trans | 19 | 127.2 | 156.6 | -53 | -59 | 172.6 | 0 | 0 | 126.4 | ||||
| 278 | E | 37.8 | Very low | 37.8 | Very low | 165 Ų | 165 | 126.6 Ų | 126.6 | 77% | 0.771 | 75% | 0.75 | S | S | * | * | 52.4 | 131.8 | 124 | -123.6 | -151.2 | 124.5 | 0 | 0 | 126.9 | |||||
| 279 | S | 30.7 | Very low | 37.9 | Very low | 85 Ų | 85 | 131.7 Ų | 131.7 | 59% | 0.594 | 76% | 0.755 | S | S | * | * | 93.6 | 130.2 | 127.2 | -119.1 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 280 | S | 33.5 | Very low | 38.6 | Very low | 107 Ų | 107 | 135 Ų | 135 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | 69 | 122.1 | 148.6 | 74.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 281 | M | 30.9 | Very low | 38.9 | Very low | 182 Ų | 182 | 136 Ų | 136 | 90% | 0.897 | 76% | 0.758 | S | S | * | * | 165 | 158.5 | 97.6 | -164.8 | 53.7 | -170.5 | 0 | 0 | 111.4 | |||||
| 282 | A | 31.5 | Very low | 39.5 | Very low | 86 Ų | 86 | 131.9 Ų | 131.9 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | trans | -76.9 | 136.5 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 283 | G | 35.6 | Very low | 40.4 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | 55.1 | 111.1 | 122.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 284 | L | 36.9 | Very low | 41.7 | Very low | 158 Ų | 158 | 125.7 Ų | 125.7 | 83% | 0.827 | 73% | 0.731 | S | S | * | * | trans | -140.8 | 123 | 148.2 | -148.4 | 78.8 | 0 | 0 | 0 | 109.9 | V286 | L284-V286 HydrophobicContact CD2-CG2 3.89Å; L284-V286 HydrophobicContact CG-CG2 4.33Å | ||
| 285 | V | 45.2 | Very low | 43 | Very low | 150 Ų | 150 | 126.1 Ų | 126.1 | 91% | 0.909 | 73% | 0.726 | S | S | * | * | trans | -92.9 | 112.2 | 173 | 175.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 286 | V | 44.3 | Very low | 44.5 | Very low | 109 Ų | 109 | 121 Ų | 121 | 66% | 0.661 | 71% | 0.708 | S | S | * | * | trans | -120.5 | 115.2 | 172.7 | -178.4 | 0 | 0 | 0 | 0 | 108 | L284 P288 | L284-V286 HydrophobicContact CD2-CG2 3.89Å; L284-V286 HydrophobicContact CG-CG2 4.33Å; V286-P288 WeakPolarHBondContact O-CD 3.11Å | ||
| 287 | A | 44.3 | Very low | 45.8 | Very low | 84 Ų | 84 | 115.4 Ų | 115.4 | 69% | 0.694 | 69% | 0.693 | S | S | * | * | trans | -72.8 | 124.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | K289 | A287-K289 PolarHBondContact O-N 3.27Š| ||
| 288 | P | 50.1 | Low | 46.9 | Very low | 123 Ų | 123 | 113.1 Ų | 113.1 | 80% | 0.799 | 69% | 0.686 | S | S | * | * | trans | -65.3 | 106.9 | 177 | -22.6 | 34.9 | 0 | 0 | 0 | 111.4 | V286 | V286-P288 WeakPolarHBondContact O-CD 3.11Š| ||
| 289 | K | 52.6 | Low | 48.3 | Very low | 196 Ų | 196 | 111.2 Ų | 111.2 | 85% | 0.852 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -79.9 | 140.3 | 165.9 | -132.8 | 170.2 | -175.3 | 175.8 | 0 | 107.8 | A287 | A287-K289 PolarHBondContact O-N 3.27Š|
| 290 | Q | 55.2 | Low | 49.7 | Very low | 171 Ų | 171 | 110 Ų | 110 | 80% | 0.799 | 68% | 0.675 | S | S | * | * | trans | 72.3 | 87.2 | -164.1 | -43.7 | -53.6 | -18.9 | 0 | 0 | 113.8 | ||||
| 291 | M | 44.8 | Very low | 50.8 | Low | 133 Ų | 133 | 111.4 Ų | 111.4 | 66% | 0.655 | 67% | 0.674 | S | S | * | * | trans | -68.4 | 131.7 | 153.6 | -70.1 | 174.2 | 64.3 | 0 | 0 | 108.1 | L295 | M291-L295 HydrophobicContact CE-CB 4.48Š| ||
| 292 | S | 51.4 | Low | 52.2 | Low | 69 Ų | 69 | 113.1 Ų | 113.1 | 48% | 0.483 | 67% | 0.672 | S | S | . | * | trans | -66 | 140.9 | 171.5 | 52.6 | 0 | 0 | 0 | 0 | 110.2 | A294 L295 | S292-A294 PolarHBondContact O-N 2.87Å; S292-A294 VanDerWaalsContact O-N 3.08Å; S292-L295 PolarHBondContact O-N 2.87Å | ||
| 293 | S | 60.1 | Low | 53.1 | Low | 109 Ų | 109 | 112 Ų | 112 | 76% | 0.762 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -54.8 | -31.3 | -177 | 47 | 0 | 0 | 0 | 0 | 113.4 | L295 G296 S297 | S293-L295 VanDerWaalsContact C-N 3.3Å; S293-L295 PolarHBondContact O-N 3.06Å; S293-G296 PolarHBondContact O-N 2.94Å; S293-G296 VanDerWaalsContact O-N 3.11Å; S293-S297 PolarHBondContact O-N 3Å |
| 294 | A | 57.1 | Low | 53.3 | Low | 62 Ų | 62 | 113.9 Ų | 113.9 | 51% | 0.512 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -57.7 | -35.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S292 L298 | S292-A294 PolarHBondContact O-N 2.87Å; S292-A294 VanDerWaalsContact O-N 3.08Å; A294-L298 PolarHBondContact O-N 3.03Å |
| 295 | L | 59.3 | Low | 53.7 | Low | 90 Ų | 90 | 114.6 Ų | 114.6 | 47% | 0.471 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -74.1 | -27.7 | 177.3 | -73.5 | 170.8 | 0 | 0 | 0 | 112.4 | M291 S292 S293 L298 L299 | M291-L295 HydrophobicContact CE-CB 4.48Å; S292-L295 PolarHBondContact O-N 2.87Å; S293-L295 VanDerWaalsContact C-N 3.3Å; S293-L295 PolarHBondContact O-N 3.06Å; L295-L298 HydrophobicContact CD2-CD1 4.47Å; L295-L298 PolarHBondContact O-N 3.05Å; L295-L299 PolarHBondContact O-N 3.48Å |
| 296 | G | 63.1 | Low | 53.4 | Low | 38 Ų | 38 | 112.8 Ų | 112.8 | 39% | 0.392 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -63.9 | -47.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S293 L298 L299 A300 | S293-G296 PolarHBondContact O-N 2.94Å; S293-G296 VanDerWaalsContact O-N 3.11Å; G296-L298 VanDerWaalsContact C-N 3.28Å; G296-L298 PolarHBondContact O-N 3.32Å; G296-L299 PolarHBondContact O-N 2.92Å; G296-A300 PolarHBondContact O-N 3.25Å |
| 297 | S | 61 | Low | 53.2 | Low | 76 Ų | 76 | 116.6 Ų | 116.6 | 53% | 0.531 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -62.6 | -32.8 | 177.6 | -54.5 | 0 | 0 | 0 | 0 | 113.3 | S293 A300 N301 | S293-S297 PolarHBondContact O-N 3Å; S297-A300 PolarHBondContact O-N 2.82Å; S297-N301 PolarHBondContact O-N 2.89Å |
| 298 | L | 60.1 | Low | 52.8 | Low | 110 Ų | 110 | 117.6 Ų | 117.6 | 58% | 0.576 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -71.9 | -33.2 | 176.3 | -70.4 | 174.4 | 0 | 0 | 0 | 112.9 | A294 L295 G296 | A294-L298 PolarHBondContact O-N 3.03Å; L295-L298 HydrophobicContact CD2-CD1 4.47Å; L295-L298 PolarHBondContact O-N 3.05Å; G296-L298 VanDerWaalsContact C-N 3.28Å; G296-L298 PolarHBondContact O-N 3.32Å |
| 299 | L | 67 | Low | 52.5 | Low | 125 Ų | 125 | 119.6 Ų | 119.6 | 65% | 0.654 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -70.9 | -37.8 | 171.7 | -99.1 | 67.5 | 0 | 0 | 0 | 112 | L295 G296 N301 Y302 | L295-L299 PolarHBondContact O-N 3.48Å; G296-L299 PolarHBondContact O-N 2.92Å; L299-N301 VanDerWaalsContact C-N 3.31Å; L299-N301 PolarHBondContact O-N 3.47Å; L299-Y302 PolarHBondContact O-N 3.36Å |
| 300 | A | 59.2 | Low | 52.4 | Low | 60 Ų | 60 | 119.4 Ų | 119.4 | 50% | 0.496 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -59.1 | -40.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G296 S297 Y302 G303 | G296-A300 PolarHBondContact O-N 3.25Å; S297-A300 PolarHBondContact O-N 2.82Å; A300-Y302 PolarHBondContact O-N 3.34Å; A300-Y302 VanDerWaalsContact O-N 3.16Å; A300-G303 PolarHBondContact O-N 3.34Å |
| 301 | N | 57.6 | Low | 51.7 | Low | 136 Ų | 136 | 118.6 Ų | 118.6 | 73% | 0.727 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -10.5 | -179.2 | -76.8 | 10 | 0 | 0 | 0 | 114.9 | S297 L299 | S297-N301 PolarHBondContact O-N 2.89Å; L299-N301 VanDerWaalsContact C-N 3.31Å; L299-N301 PolarHBondContact O-N 3.47Å |
| 302 | Y | 60.2 | Low | 51.8 | Low | 217 Ų | 217 | 116.3 Ų | 116.3 | 85% | 0.851 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | -1.3 | 171.5 | -82.6 | -89.5 | 0 | 0 | 0 | 113.4 | L299 A300 | L299-Y302 PolarHBondContact O-N 3.36Å; A300-Y302 PolarHBondContact O-N 3.34Å; A300-Y302 VanDerWaalsContact O-N 3.16Å |
| 303 | G | 49.2 | Very low | 52 | Low | 64 Ų | 64 | 120.2 Ų | 120.2 | 66% | 0.66 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -99.1 | -0.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 117 | A300 | A300-G303 PolarHBondContact O-N 3.34Š|
| 304 | S | 41.6 | Very low | 51.8 | Low | 111 Ų | 111 | 119.2 Ų | 119.2 | 78% | 0.776 | 67% | 0.673 | S | S | * | * | trans | -136 | 29.6 | -170.2 | -61.1 | 0 | 0 | 0 | 0 | 115.3 | S306 | S304-S306 PolarHBondContact O-N 3.28Š| ||
| 305 | M | 43.8 | Very low | 51.7 | Low | 174 Ų | 174 | 118.3 Ų | 118.3 | 86% | 0.857 | 66% | 0.661 | S | S | * | * | trans | -84.1 | 85.6 | 158.7 | -69.5 | -119.4 | 68.1 | 0 | 0 | 108.5 | E307 | M305-E307 PolarHBondContact O-N 3.33Š| ||
| 306 | S | 38.9 | Very low | 52 | Low | 111 Ų | 111 | 118 Ų | 118 | 78% | 0.776 | 67% | 0.665 | S | S | * | * | trans | -74 | 107.2 | 170.5 | -169.2 | 0 | 0 | 0 | 0 | 108.6 | S304 S308 | S304-S306 PolarHBondContact O-N 3.28Å; S306-S308 VanDerWaalsContact C-N 3.28Å; S306-S308 PolarHBondContact O-N 3.24Å | ||
| 307 | E | 41.7 | Very low | 51.8 | Low | 189 Ų | 189 | 119 Ų | 119 | 88% | 0.883 | 66% | 0.663 | S | S | * | * | trans | -75.9 | 67.6 | -169.7 | 57.2 | -168.6 | 144.7 | 0 | 0 | 113.8 | M305 D309 | M305-E307 PolarHBondContact O-N 3.33Å; E307-D309 PolarHBondContact O-N 3.1Å | ||
| 308 | S | 34.8 | Very low | 52 | Low | 106 Ų | 106 | 120 Ų | 120 | 74% | 0.741 | 66% | 0.662 | S | S | * | * | trans | -75 | 92.6 | 157.4 | -68.9 | 0 | 0 | 0 | 0 | 109.1 | S306 E310 | S306-S308 VanDerWaalsContact C-N 3.28Å; S306-S308 PolarHBondContact O-N 3.24Å; S308-E310 PolarHBondContact O-N 3.49Å | ||
| 309 | D | 43.1 | Very low | 52.4 | Low | 164 Ų | 164 | 122.4 Ų | 122.4 | 88% | 0.877 | 66% | 0.663 | S | S | * | * | trans | -72.4 | 64.1 | -176.7 | -171.2 | 31.7 | 0 | 0 | 0 | 113 | E307 | E307-D309 PolarHBondContact O-N 3.1Š| ||
| 310 | E | 50.7 | Low | 52.6 | Low | 192 Ų | 192 | 117.8 Ų | 117.8 | 90% | 0.897 | 64% | 0.643 | S | S | * | * | trans | -146.2 | 55.1 | 172.8 | -163.1 | 152.4 | -143.3 | 0 | 0 | 111.9 | S308 | S308-E310 PolarHBondContact O-N 3.49Š| ||
| 311 | E | 40.2 | Very low | 53.3 | Low | 155 Ų | 155 | 120 Ų | 120 | 72% | 0.724 | 64% | 0.641 | S | S | * | * | trans | -114.3 | 134.8 | 170.3 | -164.7 | 178.8 | -172.6 | 0 | 0 | 110.5 | V315 | E311-V315 HydrophobicContact CG-CG2 4.18Š| ||
| 312 | P | 47.7 | Very low | 54.2 | Low | 85 Ų | 85 | 118.3 Ų | 118.3 | 55% | 0.552 | 63% | 0.629 | S | S | * | * | trans | -71.8 | 152.6 | -167.8 | 26 | -35.6 | 0 | 0 | 0 | 115.6 | D314 V315 | P312-D314 PolarHBondContact O-N 3.26Å; P312-V315 PolarHBondContact O-N 3.42Å | ||
| 313 | E | 55.6 | Low | 54.9 | Low | 151 Ų | 151 | 111.3 Ų | 111.3 | 71% | 0.706 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | 2.7 | 176.6 | -66.9 | -164.5 | 146.9 | 0 | 0 | 115.2 | P316 | E313-P316 WeakPolarHBondContact O-CD 3.41Š|
| 314 | D | 55 | Low | 56.1 | Low | 87 Ų | 87 | 111.1 Ų | 111.1 | 47% | 0.465 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.8 | -21.1 | 175.3 | -80 | -62.4 | 0 | 0 | 0 | 113.5 | P312 V317 L318 | P312-D314 PolarHBondContact O-N 3.26Å; D314-V317 CarbonylContact O-C 3.58Å; D314-V317 WeakPolarHBondContact O-CA 3.12Å; D314-V317 WeakPolarHBondContact O-CB 3.15Å; D314-V317 PolarHBondContact O-N 2.85Å; D314-L318 HydrophobicContact CB-CD1 4.22Å; D314-L318 HydrophobicContact CB-CG 4.39Å; D314-L318 WeakPolarHBondContact O-CB 3.37Å; D314-L318 WeakPolarHBondContact O-CG 3.28Å; D314-L318 PolarHBondContact O-N 2.99Å |
| 315 | V | 56.9 | Low | 57.6 | Low | 43 Ų | 43 | 112.7 Ų | 112.7 | 26% | 0.261 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -55.3 | -45.1 | -176.9 | -179.9 | 0 | 0 | 0 | 0 | 113.5 | E311 P312 V317 R319 | E311-V315 HydrophobicContact CG-CG2 4.18Å; P312-V315 PolarHBondContact O-N 3.42Å; V315-V317 VanDerWaalsContact C-N 3.32Å; V315-V317 PolarHBondContact O-N 3.27Å; V315-R319 WeakPolarHBondContact O-CB 3.44Å; V315-R319 PolarHBondContact O-N 3.26Å |
| 316 | P | 64 | Low | 58.9 | Low | 85 Ų | 85 | 108.6 Ų | 108.6 | 55% | 0.552 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.6 | -33.9 | 172.9 | -20.8 | 34 | 0 | 0 | 0 | 113.4 | E313 A320 | E313-P316 WeakPolarHBondContact O-CD 3.41Å; P316-A320 WeakPolarHBondContact O-CB 3.43Å; P316-A320 PolarHBondContact O-N 2.9Å |
| 317 | V | 58.8 | Low | 60.4 | Low | 59 Ų | 59 | 107.6 Ų | 107.6 | 36% | 0.358 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -74.8 | -39.7 | -178.3 | -178.7 | 0 | 0 | 0 | 0 | 111 | D314 V315 A320 K321 | D314-V317 CarbonylContact O-C 3.58Å; D314-V317 WeakPolarHBondContact O-CA 3.12Å; D314-V317 WeakPolarHBondContact O-CB 3.15Å; D314-V317 PolarHBondContact O-N 2.85Å; V315-V317 VanDerWaalsContact C-N 3.32Å; V315-V317 PolarHBondContact O-N 3.27Å; V317-A320 PolarHBondContact O-N 3.44Å; V317-K321 HydrophobicContact CG1-CD 4.16Å; V317-K321 WeakPolarHBondContact O-CB 3.07Å; V317-K321 VanDerWaalsContact O-CG 3.24Å; V317-K321 WeakPolarHBondContact O-CG 3.36Å; V317-K321 PolarHBondContact O-N 2.8Å |
| 318 | L | 65.2 | Low | 62 | Low | 97 Ų | 97 | 103.4 Ų | 103.4 | 51% | 0.508 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 173.4 | -69.3 | 171.2 | 0 | 0 | 0 | 110.8 | D314 A320 K321 Q322 | D314-L318 HydrophobicContact CB-CD1 4.22Å; D314-L318 HydrophobicContact CB-CG 4.39Å; D314-L318 WeakPolarHBondContact O-CB 3.37Å; D314-L318 WeakPolarHBondContact O-CG 3.28Å; D314-L318 PolarHBondContact O-N 2.99Å; L318-A320 PolarHBondContact O-N 3.29Å; L318-K321 PolarHBondContact O-N 3.25Å; L318-Q322 WeakPolarHBondContact O-CB 3.33Å; L318-Q322 PolarHBondContact O-N 3.07Å |
| 319 | R | 69.1 | Low | 63.5 | Low | 159 Ų | 159 | 101.6 Ų | 101.6 | 60% | 0.6 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.4 | -41.7 | 174.5 | -167.5 | 176 | -66.5 | 133 | 1.7 | 112 | V315 Q322 V323 | V315-R319 WeakPolarHBondContact O-CB 3.44Å; V315-R319 PolarHBondContact O-N 3.26Å; R319-Q322 PolarHBondContact O-N 3.26Å; R319-V323 WeakPolarHBondContact O-CG2 3.42Å; R319-V323 PolarHBondContact O-N 2.95Å |
| 320 | A | 70.6 | Confident | 64.7 | Low | 28 Ų | 28 | 98.3 Ų | 98.3 | 23% | 0.231 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -64.2 | -45.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I208 P316 V317 L318 Q322 V323 V324 | I208-A320 HydrophobicContact CD1-CB 4.3Å; P316-A320 WeakPolarHBondContact O-CB 3.43Å; P316-A320 PolarHBondContact O-N 2.9Å; V317-A320 PolarHBondContact O-N 3.44Å; L318-A320 PolarHBondContact O-N 3.29Å; A320-Q322 VanDerWaalsContact C-N 3.31Å; A320-Q322 PolarHBondContact O-N 3.35Å; A320-V323 PolarHBondContact O-N 2.84Å; A320-V324 WeakPolarHBondContact O-CG2 3.49Å; A320-V324 PolarHBondContact O-N 2.88Å |
| 321 | K | 74.8 | Confident | 65.2 | Low | 106 Ų | 106 | 92.7 Ų | 92.7 | 46% | 0.461 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60 | -38.5 | 175.1 | -75 | 165.9 | 178.5 | 170.6 | 0 | 112.2 | V317 L318 R325 | V317-K321 HydrophobicContact CG1-CD 4.16Å; V317-K321 WeakPolarHBondContact O-CB 3.07Å; V317-K321 VanDerWaalsContact O-CG 3.24Å; V317-K321 WeakPolarHBondContact O-CG 3.36Å; V317-K321 PolarHBondContact O-N 2.8Å; L318-K321 PolarHBondContact O-N 3.25Å; K321-R325 WeakPolarHBondContact O-CG 3.43Å; K321-R325 PolarHBondContact O-N 3.37Å; K321-R325 VanDerWaalsContact O-N 3.14Å |
| 322 | Q | 77.3 | Confident | 66.4 | Low | 101 Ų | 101 | 91.4 Ų | 91.4 | 47% | 0.472 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.8 | -51.1 | 175.3 | 175 | 171.3 | -10.8 | 0 | 0 | 111.4 | L318 R319 A320 V324 R325 E326 | L318-Q322 WeakPolarHBondContact O-CB 3.33Å; L318-Q322 PolarHBondContact O-N 3.07Å; R319-Q322 PolarHBondContact O-N 3.26Å; A320-Q322 VanDerWaalsContact C-N 3.31Å; A320-Q322 PolarHBondContact O-N 3.35Å; Q322-V324 VanDerWaalsContact C-N 3.26Å; Q322-V324 PolarHBondContact O-N 3.15Å; Q322-R325 PolarHBondContact O-N 3.42Å; Q322-R325 VanDerWaalsContact O-N 3.12Å; Q322-E326 HydrophobicContact CG-CG 4.33Å; Q322-E326 WeakPolarHBondContact CG-OE1 3.47Å; Q322-E326 PolarHBondContact NE2-OE1 3.05Å; Q322-E326 WeakPolarHBondContact O-CG 3.15Å; Q322-E326 PolarHBondContact O-N 3.39Å |
| 323 | V | 74.5 | Confident | 67 | Low | 70 Ų | 70 | 94.9 Ų | 94.9 | 42% | 0.424 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.1 | -35.1 | 178.1 | 171.1 | 0 | 0 | 0 | 0 | 111.8 | R319 A320 N327 | R319-V323 WeakPolarHBondContact O-CG2 3.42Å; R319-V323 PolarHBondContact O-N 2.95Å; A320-V323 PolarHBondContact O-N 2.84Å; V323-N327 PolarHBondContact O-N 2.78Å; V323-N327 PolarHBondContact O-ND2 3.32Å |
| 324 | V | 74.6 | Confident | 66.6 | Low | 61 Ų | 61 | 96.8 Ų | 96.8 | 37% | 0.37 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.8 | -50.2 | 173.2 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | A320 Q322 E326 N327 E328 | A320-V324 WeakPolarHBondContact O-CG2 3.49Å; A320-V324 PolarHBondContact O-N 2.88Å; Q322-V324 VanDerWaalsContact C-N 3.26Å; Q322-V324 PolarHBondContact O-N 3.15Å; V324-E326 PolarHBondContact O-N 3.15Å; V324-N327 WeakPolarHBondContact O-CB 3.37Å; V324-N327 PolarHBondContact O-N 2.81Å; V324-E328 WeakPolarHBondContact CG1-OE1 3.45Å; V324-E328 WeakPolarHBondContact O-CG 3.38Å; V324-E328 PolarHBondContact O-N 2.99Å |
| 325 | R | 73.4 | Confident | 65.7 | Low | 144 Ų | 144 | 98.3 Ų | 98.3 | 54% | 0.543 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 176.8 | -66.4 | -170.4 | -139.7 | 107.3 | -6.9 | 113 | K321 Q322 N327 E328 T329 | K321-R325 WeakPolarHBondContact O-CG 3.43Å; K321-R325 PolarHBondContact O-N 3.37Å; K321-R325 VanDerWaalsContact O-N 3.14Å; Q322-R325 PolarHBondContact O-N 3.42Å; Q322-R325 VanDerWaalsContact O-N 3.12Å; R325-N327 VanDerWaalsContact C-N 3.32Å; R325-N327 PolarHBondContact O-N 3.37Å; R325-E328 WeakPolarHBondContact CA-OE2 3.45Å; R325-E328 PolarHBondContact O-N 3.39Å; R325-T329 WeakPolarHBondContact O-CG2 3.31Å; R325-T329 PolarHBondContact O-N 3Å |
| 326 | E | 69.6 | Low | 65.1 | Low | 87 Ų | 87 | 102.1 Ų | 102.1 | 41% | 0.407 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.3 | -46.1 | 176.9 | -75 | 169.5 | -179 | 0 | 0 | 110.5 | Q322 V324 T329 L330 | Q322-E326 HydrophobicContact CG-CG 4.33Å; Q322-E326 WeakPolarHBondContact CG-OE1 3.47Å; Q322-E326 PolarHBondContact NE2-OE1 3.05Å; Q322-E326 WeakPolarHBondContact O-CG 3.15Å; Q322-E326 PolarHBondContact O-N 3.39Å; V324-E326 PolarHBondContact O-N 3.15Å; E326-T329 PolarHBondContact O-N 3.03Å; E326-T329 PolarHBondContact O-OG1 3.04Å; E326-L330 WeakPolarHBondContact O-CG 3.42Å; E326-L330 PolarHBondContact O-N 3.24Å; E326-L330 VanDerWaalsContact O-N 3.16Å |
| 327 | N | 70.7 | Confident | 63.4 | Low | 91 Ų | 91 | 105 Ų | 105 | 49% | 0.487 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.3 | -48.9 | 172.6 | -78 | -68.4 | 0 | 0 | 0 | 112.2 | V323 V324 R325 T329 L330 L331 | V323-N327 PolarHBondContact O-N 2.78Å; V323-N327 PolarHBondContact O-ND2 3.32Å; V324-N327 WeakPolarHBondContact O-CB 3.37Å; V324-N327 PolarHBondContact O-N 2.81Å; R325-N327 VanDerWaalsContact C-N 3.32Å; R325-N327 PolarHBondContact O-N 3.37Å; N327-T329 VanDerWaalsContact C-N 3.31Å; N327-T329 PolarHBondContact O-N 2.88Å; N327-L330 WeakPolarHBondContact O-CA 3.41Å; N327-L330 WeakPolarHBondContact O-CB 3.23Å; N327-L330 PolarHBondContact O-N 3.4Å; N327-L331 WeakPolarHBondContact O-CG 3.38Å; N327-L331 PolarHBondContact O-N 3.31Å; N327-L331 VanDerWaalsContact O-N 3.1Å |
| 328 | E | 74.7 | Confident | 62.3 | Low | 100 Ų | 100 | 107.2 Ų | 107.2 | 47% | 0.467 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -54.4 | -44.7 | 176.9 | -70.2 | 165.1 | 170.4 | 0 | 0 | 112.1 | V324 R325 L330 L331 N332 | V324-E328 WeakPolarHBondContact CG1-OE1 3.45Å; V324-E328 WeakPolarHBondContact O-CG 3.38Å; V324-E328 PolarHBondContact O-N 2.99Å; R325-E328 WeakPolarHBondContact CA-OE2 3.45Å; R325-E328 PolarHBondContact O-N 3.39Å; E328-L330 PolarHBondContact O-N 3.25Å; E328-L331 PolarHBondContact O-N 3.14Å; E328-L331 VanDerWaalsContact O-N 3.14Å; E328-N332 PolarHBondContact O-N 3.47Å; E328-N332 VanDerWaalsContact O-N 3.13Å |
| 329 | T | 67.1 | Low | 60.9 | Low | 68 Ų | 68 | 111.7 Ų | 111.7 | 42% | 0.417 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69 | -19 | 176.9 | 68.2 | 0 | 0 | 0 | 0 | 114.2 | R325 E326 N327 K333 | R325-T329 WeakPolarHBondContact O-CG2 3.31Å; R325-T329 PolarHBondContact O-N 3Å; E326-T329 PolarHBondContact O-N 3.03Å; E326-T329 PolarHBondContact O-OG1 3.04Å; N327-T329 VanDerWaalsContact C-N 3.31Å; N327-T329 PolarHBondContact O-N 2.88Å; T329-K333 WeakPolarHBondContact O-CD 3.29Å; T329-K333 WeakPolarHBondContact O-CE 3.37Å; T329-K333 VanDerWaalsContact O-CG 3.23Å; T329-K333 WeakPolarHBondContact O-CG 3.41Å |
| 330 | L | 67.9 | Low | 59.1 | Low | 96 Ų | 96 | 110.9 Ų | 110.9 | 50% | 0.503 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -83.6 | -23.6 | 172.8 | -69 | 169.4 | 0 | 0 | 0 | 112.4 | E326 N327 E328 R334 | E326-L330 WeakPolarHBondContact O-CG 3.42Å; E326-L330 PolarHBondContact O-N 3.24Å; E326-L330 VanDerWaalsContact O-N 3.16Å; N327-L330 WeakPolarHBondContact O-CA 3.41Å; N327-L330 WeakPolarHBondContact O-CB 3.23Å; N327-L330 PolarHBondContact O-N 3.4Å; E328-L330 PolarHBondContact O-N 3.25Å; L330-R334 WeakPolarHBondContact O-CG 3.25Å |
| 331 | L | 62.6 | Low | 57.3 | Low | 73 Ų | 73 | 113.4 Ų | 113.4 | 38% | 0.382 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -74.9 | -48.8 | 172.3 | -55.5 | -170.1 | 0 | 0 | 0 | 110.9 | N327 E328 K333 R334 Y415 | N327-L331 WeakPolarHBondContact O-CG 3.38Å; N327-L331 PolarHBondContact O-N 3.31Å; N327-L331 VanDerWaalsContact O-N 3.1Å; E328-L331 PolarHBondContact O-N 3.14Å; E328-L331 VanDerWaalsContact O-N 3.14Å; L331-K333 PolarHBondContact O-N 3.01Å; L331-R334 PolarHBondContact O-N 2.82Å; L331-Y415 HydrophobicContact CD1-CE2 4.28Å; L331-Y415 HydrophobicContact CD2-CD2 4.44Å; L331-Y415 HydrophobicContact CD2-CE2 3.39Å; L331-Y415 WeakPolarHBondContact CD2-OH 3.41Å; L331-Y415 HydrophobicContact CG-CE2 4.49Å |
| 332 | N | 63.9 | Low | 55.2 | Low | 128 Ų | 128 | 117.2 Ų | 117.2 | 68% | 0.684 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -9.7 | -177.5 | -64.6 | -6.5 | 0 | 0 | 0 | 113.9 | E328 | E328-N332 PolarHBondContact O-N 3.47Å; E328-N332 VanDerWaalsContact O-N 3.13Å |
| 333 | K | 61.9 | Low | 53 | Low | 159 Ų | 159 | 118.1 Ų | 118.1 | 69% | 0.691 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 4.7 | 174.4 | -71.1 | 171.1 | -171.6 | 166.8 | 0 | 113.8 | T329 L331 | T329-K333 WeakPolarHBondContact O-CD 3.29Å; T329-K333 WeakPolarHBondContact O-CE 3.37Å; T329-K333 VanDerWaalsContact O-CG 3.23Å; T329-K333 WeakPolarHBondContact O-CG 3.41Å; L331-K333 PolarHBondContact O-N 3.01Å |
| 334 | R | 46.3 | Very low | 51 | Low | 191 Ų | 191 | 124.7 Ų | 124.7 | 72% | 0.721 | 65% | 0.65 | S | S | * | * | trans | -119.2 | 20.7 | -170.2 | -72.1 | -176.4 | 172.8 | -138.7 | 0.3 | 115.4 | L330 L331 P336 | L330-R334 WeakPolarHBondContact O-CG 3.25Å; L331-R334 PolarHBondContact O-N 2.82Å; R334-P336 WeakPolarHBondContact O-CD 3.49Å | ||
| 335 | T | 35.7 | Very low | 48.6 | Very low | 119 Ų | 119 | 129 Ų | 129 | 73% | 0.73 | 67% | 0.667 | S | S | * | * | trans | -100.3 | 94.8 | 172.7 | 51.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 336 | P | 43.6 | Very low | 46.5 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 80% | 0.799 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 134.9 | 167.8 | 32.3 | -33.5 | 0 | 0 | 0 | 111 | R334 | R334-P336 WeakPolarHBondContact O-CD 3.49Š|
| 337 | T | 29.1 | Very low | 44.5 | Very low | 145 Ų | 145 | 131.5 Ų | 131.5 | 89% | 0.89 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 155.2 | 169.6 | -41.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 338 | S | 35.9 | Very low | 42.5 | Very low | 106 Ų | 106 | 136.5 Ų | 136.5 | 74% | 0.741 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 140.2 | -178.1 | 174.9 | 0 | 0 | 0 | 0 | 113.6 | ||
| 339 | E | 36.1 | Very low | 40.6 | Very low | 191 Ų | 191 | 137.7 Ų | 137.7 | 89% | 0.893 | 73% | 0.725 | S | S | * | * | trans | 163.4 | 147.2 | 152.8 | -94.6 | 163.4 | -145.4 | 0 | 0 | 108.8 | ||||
| 340 | D | 31.7 | Very low | 38.7 | Very low | 142 Ų | 142 | 139.4 Ų | 139.4 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | cis | -161.8 | 170.4 | -29 | -179.9 | 41.8 | 0 | 0 | 0 | 110 | ||||
| 341 | S | 32.3 | Very low | 36.9 | Very low | 80 Ų | 80 | 143.3 Ų | 143.3 | 56% | 0.559 | 76% | 0.755 | S | S | * | * | trans | 75.8 | 101.4 | 151.1 | -86.8 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 342 | Q | 30.8 | Very low | 35.3 | Very low | 186 Ų | 186 | 146.4 Ų | 146.4 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | 49.1 | 133.3 | 124.3 | -56 | -170.8 | 25.5 | 0 | 0 | 124.5 | |||||
| 343 | S | 29.6 | Very low | 33.7 | Very low | 121 Ų | 121 | 151.6 Ų | 151.6 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | -171 | 176.4 | 125.7 | 42.1 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 344 | K | 33.3 | Very low | 32.1 | Very low | 207 Ų | 207 | 150.7 Ų | 150.7 | 90% | 0.9 | 80% | 0.796 | S | S | * | * | trans | -138.9 | 176.1 | -169.9 | -65.6 | 178.7 | -179.6 | 173 | 0 | 112.8 | ||||
| 345 | H | 25 | Very low | 31.4 | Very low | 153 Ų | 153 | 148.1 Ų | 148.1 | 71% | 0.708 | 80% | 0.801 | S | S | * | * | trans | 107.5 | 112.1 | 168 | -138 | -89.8 | 0 | 0 | 0 | 112.9 | ||||
| 346 | V | 29 | Very low | 31.2 | Very low | 111 Ų | 111 | 148 Ų | 148 | 67% | 0.673 | 80% | 0.803 | S | S | * | * | 65.3 | 123.6 | 64.8 | -172.8 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 347 | E | 26.5 | Very low | 30.6 | Very low | 171 Ų | 171 | 150.7 Ų | 150.7 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | -141.8 | -172.7 | 55 | -37.7 | -145.2 | 103.8 | 0 | 0 | 117.7 | |||||
| 348 | K | 30.3 | Very low | 31.5 | Very low | 197 Ų | 197 | 148.5 Ų | 148.5 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | trans | -132.4 | 153 | 168 | -75.9 | -176.8 | 175.8 | -179.8 | 0 | 110.3 | ||||
| 349 | P | 33.7 | Very low | 31 | Very low | 125 Ų | 125 | 149.2 Ų | 149.2 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | -137.5 | 170.2 | 122 | 14.9 | 7.5 | 0 | 0 | 0 | 112.1 | |||||
| 350 | S | 27.6 | Very low | 30.8 | Very low | 103 Ų | 103 | 145.8 Ų | 145.8 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | cis | -162.8 | 151.8 | -13 | 45.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 351 | E | 30.7 | Very low | 30.6 | Very low | 178 Ų | 178 | 142.6 Ų | 142.6 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | 27.1 | 134.6 | 145.7 | -50.3 | -169.3 | 141.1 | 0 | 0 | 120.9 | ||||
| 352 | T | 28.4 | Very low | 30.9 | Very low | 139 Ų | 139 | 144.5 Ų | 144.5 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | -155.8 | 168.1 | 61 | 29.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 353 | R | 30.9 | Very low | 30.8 | Very low | 237 Ų | 237 | 139 Ų | 139 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | trans | -114.6 | 130.4 | -173.9 | -62.4 | 161.7 | 67.7 | -176.5 | 4.4 | 111.9 | ||||
| 354 | T | 26.8 | Very low | 30.7 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | -150.4 | 130.9 | 149.5 | -13.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 355 | V | 33.6 | Very low | 30.5 | Very low | 137 Ų | 137 | 142.3 Ų | 142.3 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | trans | -132.2 | 130.2 | 167.9 | 173.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 356 | P | 30.3 | Very low | 30.8 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -138.5 | 133.1 | 139.9 | 31.8 | -16 | 0 | 0 | 0 | 113.7 | ||||
| 357 | Q | 31.2 | Very low | 30.8 | Very low | 179 Ų | 179 | 144.4 Ų | 144.4 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | trans | -112.7 | 169.6 | 145.4 | -86 | -148.1 | 31.9 | 0 | 0 | 107.2 | ||||
| 358 | P | 47.2 | Very low | 31.2 | Very low | 99 Ų | 99 | 147.1 Ų | 147.1 | 64% | 0.643 | 80% | 0.8 | S | S | * | * | cis | -132.3 | -166.4 | 6.2 | 31.9 | -9.9 | 0 | 0 | 0 | 114.3 | ||||
| 359 | T | 27.2 | Very low | 31.4 | Very low | 121 Ų | 121 | 148.3 Ų | 148.3 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | 131.5 | 152.5 | 135.4 | 65.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 360 | S | 31.7 | Very low | 31.2 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | 79.3 | 103.9 | 149.9 | -54.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 361 | G | 27.4 | Very low | 31.7 | Very low | 74 Ų | 74 | 153.2 Ų | 153.2 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | trans | 112.7 | 132.5 | 134.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 362 | P | 38.7 | Very low | 31.8 | Very low | 120 Ų | 120 | 148.6 Ų | 148.6 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | trans | -94.8 | 125.6 | -179 | 34.9 | -32.2 | 0 | 0 | 0 | 114.2 | M364 | P362-M364 PolarHBondContact O-N 3.3Š| ||
| 363 | G | 27.6 | Very low | 32.1 | Very low | 70 Ų | 70 | 145.5 Ų | 145.5 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | -81.4 | 96.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | W365 | G363-W365 PolarHBondContact O-N 3.45Š| ||
| 364 | M | 26.8 | Very low | 32.5 | Very low | 160 Ų | 160 | 146.2 Ų | 146.2 | 79% | 0.788 | 81% | 0.811 | S | S | * | * | trans | -72.3 | 114.6 | 176.1 | -67.9 | 170.9 | 58.1 | 0 | 0 | 112.1 | P362 | P362-M364 PolarHBondContact O-N 3.3Š| ||
| 365 | W | 31 | Very low | 33.1 | Very low | 239 Ų | 239 | 151.8 Ų | 151.8 | 91% | 0.905 | 82% | 0.817 | S | S | * | * | trans | -87.4 | 146.8 | 165.2 | -68.6 | 75.2 | 0 | 0 | 0 | 110 | G363 | G363-W365 PolarHBondContact O-N 3.45Š| ||
| 366 | N | 30.5 | Very low | 33.2 | Very low | 129 Ų | 129 | 148.8 Ų | 148.8 | 69% | 0.69 | 81% | 0.814 | S | S | * | * | trans | -100.2 | 99.2 | -157.3 | -82.9 | -94.1 | 0 | 0 | 0 | 114.6 | R368 | N366-R368 PolarHBondContact O-N 2.95Š| ||
| 367 | E | 29.9 | Very low | 33.8 | Very low | 179 Ų | 179 | 147 Ų | 147 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -65.6 | 91.4 | 161.4 | -87.9 | 77.8 | -157.2 | 0 | 0 | 112.5 | ||||
| 368 | R | 33.7 | Very low | 34.2 | Very low | 227 Ų | 227 | 150.3 Ų | 150.3 | 86% | 0.857 | 82% | 0.822 | S | S | * | * | trans | -101.2 | 60.6 | 164.4 | -72.4 | -162.7 | 176.2 | -124.5 | 0.7 | 114.1 | N366 | N366-R368 PolarHBondContact O-N 2.95Š| ||
| 369 | R | 34.5 | Very low | 33.8 | Very low | 222 Ų | 222 | 148.8 Ų | 148.8 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | 57.9 | 72.9 | 127.6 | -162.8 | -172.9 | -65.6 | -172.6 | -1.4 | 117.6 | |||||
| 370 | G | 30.6 | Very low | 34.6 | Very low | 86 Ų | 86 | 152.9 Ų | 152.9 | 89% | 0.887 | 83% | 0.834 | S | S | * | * | trans | -77.2 | 112.5 | 157.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 371 | R | 36.8 | Very low | 35.1 | Very low | 246 Ų | 246 | 158 Ų | 158 | 93% | 0.928 | 84% | 0.835 | S | S | * | * | trans | -98.3 | 96.8 | -169.6 | -160.3 | -173.1 | -156.5 | -150 | 9.3 | 112.7 | ||||
| 372 | G | 33.6 | Very low | 35.5 | Very low | 80 Ų | 80 | 159.1 Ų | 159.1 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | trans | -144.1 | 91.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 373 | G | 34.2 | Very low | 35.9 | Very low | 75 Ų | 75 | 164.4 Ų | 164.4 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | trans | -96.4 | 152 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 374 | R | 39.8 | Very low | 36.8 | Very low | 251 Ų | 251 | 167.1 Ų | 167.1 | 95% | 0.947 | 83% | 0.833 | S | S | * | * | trans | -147.8 | 142.2 | 151.5 | -102.9 | 165.9 | -158.8 | -84.1 | -4.3 | 110 | ||||
| 375 | R | 38.6 | Very low | 37.8 | Very low | 257 Ų | 257 | 164.7 Ų | 164.7 | 97% | 0.97 | 83% | 0.827 | S | S | * | * | trans | -67.5 | 142.6 | 177.6 | -67 | 172.5 | 170.3 | 170 | -5.7 | 110.3 | ||||
| 376 | G | 35.3 | Very low | 38.8 | Very low | 75 Ų | 75 | 159.2 Ų | 159.2 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | trans | 164 | 49.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | R378 | G376-R378 PolarHBondContact O-N 3.38Š| ||
| 377 | G | 44 | Very low | 40 | Very low | 79 Ų | 79 | 161.9 Ų | 161.9 | 81% | 0.814 | 83% | 0.831 | S | S | * | * | trans | -68.9 | 116.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 378 | R | 38.1 | Very low | 41.4 | Very low | 249 Ų | 249 | 159.1 Ų | 159.1 | 94% | 0.94 | 83% | 0.831 | S | S | * | * | trans | -164.8 | 99.7 | 163.1 | -109 | 166.3 | -158.2 | -139.7 | 1.7 | 111.9 | G376 | G376-R378 PolarHBondContact O-N 3.38Š| ||
| 379 | G | 38.8 | Very low | 43.1 | Very low | 66 Ų | 66 | 159 Ų | 159 | 68% | 0.68 | 83% | 0.831 | S | S | * | * | trans | 71.6 | 92.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | R381 | G379-R381 PolarHBondContact O-N 2.83Å; G379-R381 VanDerWaalsContact O-N 3.07Å | ||
| 380 | Q | 45.1 | Very low | 44.9 | Very low | 208 Ų | 208 | 159.7 Ų | 159.7 | 97% | 0.972 | 83% | 0.833 | S | S | * | * | trans | -59.1 | 107.8 | 144 | -82.1 | 159.1 | -51.8 | 0 | 0 | 107.3 | ||||
| 381 | R | 42.8 | Very low | 47.3 | Very low | 225 Ų | 225 | 157 Ų | 157 | 85% | 0.849 | 80% | 0.803 | S | S | * | * | trans | -93.4 | 130 | 165.2 | -61.4 | -172.5 | -170.4 | -159.4 | 0.9 | 107.1 | G379 R383 | G379-R381 PolarHBondContact O-N 2.83Å; G379-R381 VanDerWaalsContact O-N 3.07Å; R381-R383 PolarHBondContact O-N 3.02Å | ||
| 382 | C | 36 | Very low | 49.7 | Very low | 99 Ų | 99 | 149.1 Ų | 149.1 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | trans | -33.3 | 128.9 | 162.3 | 163.3 | 0 | 0 | 0 | 0 | 110.2 | D384 | C382-D384 PolarHBondContact SG-OD2 2.96Š| ||
| 383 | R | 45.6 | Very low | 52.1 | Low | 231 Ų | 231 | 151.6 Ų | 151.6 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | trans | -103 | 11.2 | -175.7 | -126.2 | -175.9 | -173.9 | -154 | 1.4 | 112 | R381 T385 | R381-R383 PolarHBondContact O-N 3.02Å; R383-T385 PolarHBondContact O-N 3.46Å | ||
| 384 | D | 46 | Very low | 54.6 | Low | 126 Ų | 126 | 153.5 Ų | 153.5 | 67% | 0.674 | 77% | 0.768 | S | S | * | * | trans | -107.7 | 26.8 | -154.2 | -40.3 | -70.5 | 0 | 0 | 0 | 111 | C382 | C382-D384 PolarHBondContact SG-OD2 2.96Š| ||
| 385 | T | 49.5 | Very low | 56.8 | Low | 109 Ų | 109 | 145.1 Ų | 145.1 | 67% | 0.669 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -98.9 | 110.4 | 159.1 | 40.4 | 0 | 0 | 0 | 0 | 107.5 | R383 Q387 | R383-T385 PolarHBondContact O-N 3.46Å; T385-Q387 PolarHBondContact O-N 3.14Å |
| 386 | P | 51.6 | Low | 58.9 | Low | 125 Ų | 125 | 137.1 Ų | 137.1 | 81% | 0.812 | 71% | 0.714 | S | S | * | * | trans | -61.4 | 116.1 | 176.5 | 24.4 | -32.3 | 0 | 0 | 0 | 108.5 | S388 | P386-S388 PolarHBondContact O-N 3.41Š| ||
| 387 | Q | 54.7 | Low | 61.3 | Low | 184 Ų | 184 | 139.1 Ų | 139.1 | 86% | 0.86 | 71% | 0.706 | S | S | * | * | trans | -62.8 | 112.4 | 179.5 | -68.6 | -172.6 | -11.2 | 0 | 0 | 108.5 | T385 R389 | T385-Q387 PolarHBondContact O-N 3.14Å; Q387-R389 PolarHBondContact O-N 3.26Å | ||
| 388 | S | 60.2 | Low | 63.5 | Low | 121 Ų | 121 | 138.9 Ų | 138.9 | 85% | 0.846 | 69% | 0.686 | S | S | * | * | trans | -47.1 | 114.7 | 177.4 | 176.9 | 0 | 0 | 0 | 0 | 109.1 | P386 | P386-S388 PolarHBondContact O-N 3.41Š| ||
| 389 | R | 69.8 | Low | 65.7 | Low | 224 Ų | 224 | 127.3 Ų | 127.3 | 85% | 0.845 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 149.6 | 179.5 | -64 | -176 | -178.8 | -169.4 | 1.7 | 107.7 | Q387 A391 | Q387-R389 PolarHBondContact O-N 3.26Å; R389-A391 PolarHBondContact O-N 3.02Å |
| 390 | R | 72.5 | Confident | 67.8 | Low | 237 Ų | 237 | 127.4 Ų | 127.4 | 89% | 0.894 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 131.2 | 169.8 | -67 | -177.4 | -176.1 | 166.9 | 3.3 | 107.5 | T392 | R390-T392 PolarHBondContact O-N 2.87Š|
| 391 | A | 79.5 | Confident | 69.9 | Low | 30 Ų | 30 | 121.4 Ų | 121.4 | 25% | 0.248 | 61% | 0.607 | C | S | . | * | P | Polyproline II helix | trans | -52.6 | 133.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | F217 R389 E395 M396 | F217-A391 HydrophobicContact CD1-CB 3.79Å; F217-A391 HydrophobicContact CE1-CB 3.73Å; R389-A391 PolarHBondContact O-N 3.02Å; A391-E395 VanDerWaalsContact CA-OE2 3.23Å; A391-E395 WeakPolarHBondContact CA-OE2 3.46Å; A391-E395 HydrophobicContact CB-CG 4.23Å; A391-M396 HydrophobicContact CB-CG 4.02Å |
| 392 | T | 87.2 | Confident | 72 | Confident | 80 Ų | 80 | 112.7 Ų | 112.7 | 49% | 0.491 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -74 | 164.3 | 178.2 | 65.6 | 0 | 0 | 0 | 0 | 110.9 | R390 L394 E395 M396 | R390-T392 PolarHBondContact O-N 2.87Å; T392-L394 VanDerWaalsContact C-N 3.25Å; T392-L394 PolarHBondContact O-N 3.23Å; T392-E395 PolarHBondContact N-OE2 3.37Å; T392-E395 VanDerWaalsContact N-OE2 3.15Å; T392-E395 PolarHBondContact O-N 3.09Å; T392-E395 VanDerWaalsContact OG1-CB 3.25Å; T392-E395 WeakPolarHBondContact OG1-CB 3.22Å; T392-E395 PolarHBondContact OG1-N 3Å; T392-M396 WeakPolarHBondContact O-CG 3.5Å; T392-M396 PolarHBondContact O-N 2.79Å |
| 393 | L | 85.3 | Confident | 74.3 | Confident | 133 Ų | 133 | 110.1 Ų | 110.1 | 70% | 0.696 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -58.6 | -40.9 | 173.8 | 179.7 | 61.2 | 0 | 0 | 0 | 111.3 | M396 L397 | L393-M396 PolarHBondContact O-N 2.89Å; L393-L397 HydrophobicContact CD1-CD1 4.34Å; L393-L397 HydrophobicContact CD1-CG 4.4Å; L393-L397 HydrophobicContact CG-CD1 4.11Å; L393-L397 VanDerWaalsContact O-CG 3.31Å; L393-L397 WeakPolarHBondContact O-CG 3.31Å; L393-L397 PolarHBondContact O-N 3.36Å |
| 394 | L | 87.1 | Confident | 76.2 | Confident | 114 Ų | 114 | 105.4 Ų | 105.4 | 60% | 0.597 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.2 | -44.8 | 176.6 | -174.8 | 63.8 | 0 | 0 | 0 | 111.8 | T392 M396 L397 L398 | T392-L394 VanDerWaalsContact C-N 3.25Å; T392-L394 PolarHBondContact O-N 3.23Å; L394-M396 VanDerWaalsContact C-N 3.31Å; L394-M396 PolarHBondContact O-N 3.13Å; L394-L397 PolarHBondContact O-N 3.07Å; L394-L398 HydrophobicContact CD1-CD1 3.81Å; L394-L398 HydrophobicContact CD1-CG 4.15Å; L394-L398 HydrophobicContact CG-CD1 3.92Å; L394-L398 HydrophobicContact CG-CG 4.49Å; L394-L398 WeakPolarHBondContact O-CB 3.37Å; L394-L398 WeakPolarHBondContact O-CG 3.14Å; L394-L398 PolarHBondContact O-N 2.91Å |
| 395 | E | 84.4 | Confident | 78.4 | Confident | 76 Ų | 76 | 105 Ų | 105 | 36% | 0.355 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.4 | -33.3 | 175.3 | -177.9 | -172.3 | 161.6 | 0 | 0 | 112.7 | A391 T392 A399 | A391-E395 VanDerWaalsContact CA-OE2 3.23Å; A391-E395 WeakPolarHBondContact CA-OE2 3.46Å; A391-E395 HydrophobicContact CB-CG 4.23Å; T392-E395 PolarHBondContact N-OE2 3.37Å; T392-E395 VanDerWaalsContact N-OE2 3.15Å; T392-E395 PolarHBondContact O-N 3.09Å; T392-E395 VanDerWaalsContact OG1-CB 3.25Å; T392-E395 WeakPolarHBondContact OG1-CB 3.22Å; T392-E395 PolarHBondContact OG1-N 3Å; E395-A399 WeakPolarHBondContact O-CA 3.28Å; E395-A399 WeakPolarHBondContact O-CB 3.33Å; E395-A399 PolarHBondContact O-N 3.39Å |
| 396 | M | 82.8 | Confident | 80.3 | Confident | 89 Ų | 89 | 106.7 Ų | 106.7 | 44% | 0.438 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -72 | -35.3 | 174 | -75.4 | -177 | 56.1 | 0 | 0 | 112.8 | F217 A391 T392 L393 L394 A399 | F217-M396 HydrophobicContact CB-CE 4.31Å; F217-M396 HydrophobicContact CB-CG 4.16Å; F217-M396 HydrophobicContact CG-CG 4.38Å; A391-M396 HydrophobicContact CB-CG 4.02Å; T392-M396 WeakPolarHBondContact O-CG 3.5Å; T392-M396 PolarHBondContact O-N 2.79Å; L393-M396 PolarHBondContact O-N 2.89Å; L394-M396 VanDerWaalsContact C-N 3.31Å; L394-M396 PolarHBondContact O-N 3.13Å; M396-A399 WeakPolarHBondContact O-CB 3.41Å |
| 397 | L | 87.1 | Confident | 82.1 | Confident | 117 Ų | 117 | 101.5 Ų | 101.5 | 61% | 0.613 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -72.8 | -49.1 | 176.6 | -71.7 | 169.2 | 0 | 0 | 0 | 111.4 | L393 L394 A399 P400 | L393-L397 HydrophobicContact CD1-CD1 4.34Å; L393-L397 HydrophobicContact CD1-CG 4.4Å; L393-L397 HydrophobicContact CG-CD1 4.11Å; L393-L397 VanDerWaalsContact O-CG 3.31Å; L393-L397 WeakPolarHBondContact O-CG 3.31Å; L393-L397 PolarHBondContact O-N 3.36Å; L394-L397 PolarHBondContact O-N 3.07Å; L397-A399 PolarHBondContact O-N 3.37Å; L397-P400 WeakPolarHBondContact O-CD 3.22Å |
| 398 | L | 89.2 | Confident | 83.7 | Confident | 73 Ų | 73 | 95.4 Ų | 95.4 | 38% | 0.382 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -77.9 | 3.5 | 177.3 | -60.3 | 177.8 | 0 | 0 | 0 | 113.4 | L394 D401 I402 | L394-L398 HydrophobicContact CD1-CD1 3.81Å; L394-L398 HydrophobicContact CD1-CG 4.15Å; L394-L398 HydrophobicContact CG-CD1 3.92Å; L394-L398 HydrophobicContact CG-CG 4.49Å; L394-L398 WeakPolarHBondContact O-CB 3.37Å; L394-L398 WeakPolarHBondContact O-CG 3.14Å; L394-L398 PolarHBondContact O-N 2.91Å; L398-D401 PolarHBondContact O-N 3.31Å; L398-D401 VanDerWaalsContact O-N 3.17Å; L398-I402 HydrophobicContact CB-CD1 3.63Å; L398-I402 HydrophobicContact CB-CG1 4.07Å; L398-I402 WeakPolarHBondContact O-CB 3.39Å; L398-I402 VanDerWaalsContact O-CG1 3.28Å; L398-I402 WeakPolarHBondContact O-CG1 3.39Å; L398-I402 PolarHBondContact O-N 3.03Å |
| 399 | A | 83.6 | Confident | 85.2 | Confident | 7 Ų | 7 | 95.1 Ų | 95.1 | 6% | 0.058 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -54.7 | -39.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | F217 E395 M396 L397 R403 | F217-A399 HydrophobicContact CD2-CB 3.86Å; F217-A399 HydrophobicContact CE2-CB 3.65Å; E395-A399 WeakPolarHBondContact O-CA 3.28Å; E395-A399 WeakPolarHBondContact O-CB 3.33Å; E395-A399 PolarHBondContact O-N 3.39Å; M396-A399 WeakPolarHBondContact O-CB 3.41Å; L397-A399 PolarHBondContact O-N 3.37Å; A399-R403 WeakPolarHBondContact O-CB 3.47Å; A399-R403 VanDerWaalsContact O-CG 3.23Å; A399-R403 WeakPolarHBondContact O-CG 3.46Å; A399-R403 VanDerWaalsContact O-CZ 3.22Å; A399-R403 PolarHBondContact O-N 3.23Å; A399-R403 PolarHBondContact O-NE 2.79Å; A399-R403 PolarHBondContact O-NH2 2.86Å |
| 400 | P | 84.9 | Confident | 86 | Confident | 68 Ų | 68 | 88.3 Ų | 88.3 | 44% | 0.442 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.8 | -49.8 | 173.9 | -19.7 | 34 | 0 | 0 | 0 | 111.5 | L397 R403 H404 | L397-P400 WeakPolarHBondContact O-CD 3.22Å; P400-R403 WeakPolarHBondContact O-CB 3.46Å; P400-R403 PolarHBondContact O-N 3.45Å; P400-H404 PolarHBondContact O-N 3.17Å |
| 401 | D | 88.8 | Confident | 86.7 | Confident | 82 Ų | 82 | 80.1 Ų | 80.1 | 44% | 0.439 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -71.5 | -47.7 | -169 | -42.5 | -42.6 | 0 | 0 | 0 | 110.6 | L398 R403 H404 E405 | L398-D401 PolarHBondContact O-N 3.31Å; L398-D401 VanDerWaalsContact O-N 3.17Å; D401-R403 PolarHBondContact O-N 3.35Å; D401-R403 VanDerWaalsContact O-N 3.14Å; D401-H404 CarbonylContact O-C 3.55Å; D401-H404 WeakPolarHBondContact O-CA 3.36Å; D401-H404 WeakPolarHBondContact O-CB 3.34Å; D401-H404 PolarHBondContact O-N 3.15Å; D401-E405 WeakPolarHBondContact O-CG 3.46Å; D401-E405 PolarHBondContact O-N 3.27Å |
| 402 | I | 86.2 | Confident | 87.1 | Confident | 42 Ų | 42 | 82 Ų | 82 | 22% | 0.215 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -57.7 | -30.9 | 173.8 | -66.3 | 167.4 | 0 | 0 | 0 | 111.5 | L398 R406 | L398-I402 HydrophobicContact CB-CD1 3.63Å; L398-I402 HydrophobicContact CB-CG1 4.07Å; L398-I402 WeakPolarHBondContact O-CB 3.39Å; L398-I402 VanDerWaalsContact O-CG1 3.28Å; L398-I402 WeakPolarHBondContact O-CG1 3.39Å; L398-I402 PolarHBondContact O-N 3.03Å; I402-R406 VanDerWaalsContact CG2-CZ 3.4Å; I402-R406 VanDerWaalsContact O-CB 3.27Å; I402-R406 WeakPolarHBondContact O-CB 3.31Å; I402-R406 WeakPolarHBondContact O-CD 3.47Å; I402-R406 WeakPolarHBondContact O-CG 3.28Å; I402-R406 PolarHBondContact O-N 3.24Å; I402-R406 VanDerWaalsContact O-N 3.16Å |
| 403 | R | 83.9 | Confident | 87.2 | Confident | 44 Ų | 44 | 82.4 Ų | 82.4 | 17% | 0.166 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -78 | -35.5 | 173.5 | -73.6 | 177.2 | -60.2 | -141.2 | 0.5 | 112.2 | T215 A399 P400 D401 N407 | T215-R403 PolarHBondContact O-NH1 2.99Å; A399-R403 WeakPolarHBondContact O-CB 3.47Å; A399-R403 VanDerWaalsContact O-CG 3.23Å; A399-R403 WeakPolarHBondContact O-CG 3.46Å; A399-R403 VanDerWaalsContact O-CZ 3.22Å; A399-R403 PolarHBondContact O-N 3.23Å; A399-R403 PolarHBondContact O-NE 2.79Å; A399-R403 PolarHBondContact O-NH2 2.86Å; P400-R403 WeakPolarHBondContact O-CB 3.46Å; P400-R403 PolarHBondContact O-N 3.45Å; D401-R403 PolarHBondContact O-N 3.35Å; D401-R403 VanDerWaalsContact O-N 3.14Å; R403-N407 WeakPolarHBondContact O-CB 3.48Å; R403-N407 VanDerWaalsContact O-CG 3.28Å; R403-N407 PolarHBondContact O-N 3.39Å; R403-N407 PolarHBondContact O-ND2 3.18Å |
| 404 | H | 86.6 | Confident | 87.2 | Confident | 132 Ų | 132 | 80.7 Ų | 80.7 | 61% | 0.611 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64 | -54.4 | 174 | -179.5 | 68.7 | 0 | 0 | 0 | 110.6 | P400 D401 R406 N407 V408 | P400-H404 PolarHBondContact O-N 3.17Å; D401-H404 CarbonylContact O-C 3.55Å; D401-H404 WeakPolarHBondContact O-CA 3.36Å; D401-H404 WeakPolarHBondContact O-CB 3.34Å; D401-H404 PolarHBondContact O-N 3.15Å; H404-R406 PolarHBondContact O-N 3.38Å; H404-N407 WeakPolarHBondContact O-CB 3.43Å; H404-N407 PolarHBondContact O-N 2.99Å; H404-V408 PolarHBondContact O-N 3.17Å |
| 405 | E | 90.9 | Very high | 87.2 | Confident | 117 Ų | 117 | 78.5 Ų | 78.5 | 55% | 0.547 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -53.8 | -48.8 | 176.4 | -68.5 | 175.3 | 164.2 | 0 | 0 | 112.3 | D401 N407 V408 L409 | D401-E405 WeakPolarHBondContact O-CG 3.46Å; D401-E405 PolarHBondContact O-N 3.27Å; E405-N407 VanDerWaalsContact C-N 3.32Å; E405-N407 PolarHBondContact O-N 2.87Å; E405-V408 PolarHBondContact O-N 3.46Å; E405-V408 VanDerWaalsContact O-N 3.14Å; E405-L409 WeakPolarHBondContact O-CG 3.44Å; E405-L409 PolarHBondContact O-N 2.94Å |
| 406 | R | 90.4 | Very high | 87.5 | Confident | 146 Ų | 146 | 77 Ų | 77 | 55% | 0.551 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -65.2 | -32.9 | 178.3 | -72.7 | 172.6 | -178.1 | 171.3 | 3.6 | 113 | L212 I402 H404 L410 | L212-R406 HydrophobicContact CD1-CB 3.36Å; L212-R406 HydrophobicContact CD1-CG 4.41Å; I402-R406 VanDerWaalsContact CG2-CZ 3.4Å; I402-R406 VanDerWaalsContact O-CB 3.27Å; I402-R406 WeakPolarHBondContact O-CB 3.31Å; I402-R406 WeakPolarHBondContact O-CD 3.47Å; I402-R406 WeakPolarHBondContact O-CG 3.28Å; I402-R406 PolarHBondContact O-N 3.24Å; I402-R406 VanDerWaalsContact O-N 3.16Å; H404-R406 PolarHBondContact O-N 3.38Å; R406-L410 WeakPolarHBondContact O-CB 3.4Å; R406-L410 WeakPolarHBondContact O-CG 3.24Å; R406-L410 PolarHBondContact O-N 3.29Å |
| 407 | N | 88.3 | Confident | 87.7 | Confident | 15 Ų | 15 | 76.7 Ų | 76.7 | 8% | 0.08 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -67.5 | -39.7 | 172.5 | -79.2 | -46 | 0 | 0 | 0 | 111.1 | G210 V211 L212 R403 H404 E405 L410 Q411 | G210-N407 WeakPolarHBondContact CA-OD1 3.21Å; V211-N407 PolarHBondContact N-OD1 3.05Å; L212-N407 WeakPolarHBondContact CB-OD1 3.35Å; L212-N407 PolarHBondContact N-OD1 2.82Å; R403-N407 WeakPolarHBondContact O-CB 3.48Å; R403-N407 VanDerWaalsContact O-CG 3.28Å; R403-N407 PolarHBondContact O-N 3.39Å; R403-N407 PolarHBondContact O-ND2 3.18Å; H404-N407 WeakPolarHBondContact O-CB 3.43Å; H404-N407 PolarHBondContact O-N 2.99Å; E405-N407 VanDerWaalsContact C-N 3.32Å; E405-N407 PolarHBondContact O-N 2.87Å; N407-L410 PolarHBondContact O-N 2.89Å; N407-Q411 VanDerWaalsContact O-CG 3.3Å; N407-Q411 WeakPolarHBondContact O-CG 3.46Å; N407-Q411 PolarHBondContact O-N 3.16Å |
| 408 | V | 89.8 | Confident | 87.6 | Confident | 57 Ų | 57 | 77.5 Ų | 77.5 | 35% | 0.345 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 173.6 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | H404 E405 L410 Q411 C412 | H404-V408 PolarHBondContact O-N 3.17Å; E405-V408 PolarHBondContact O-N 3.46Å; E405-V408 VanDerWaalsContact O-N 3.14Å; V408-L410 VanDerWaalsContact C-N 3.34Å; V408-L410 PolarHBondContact O-N 3.37Å; V408-Q411 WeakPolarHBondContact O-CB 3.4Å; V408-Q411 PolarHBondContact O-N 3.31Å; V408-C412 PolarHBondContact O-N 3.16Å; V408-C412 PolarHBondContact O-SG 3.32Å; V408-C412 VanDerWaalsContact O-SG 3.33Å |
| 409 | L | 90.3 | Very high | 87.7 | Confident | 114 Ų | 114 | 77.3 Ų | 77.3 | 60% | 0.597 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -62.8 | -39.7 | 174.3 | -68.3 | 172.7 | 0 | 0 | 0 | 112.1 | E405 Q411 C412 V413 | E405-L409 WeakPolarHBondContact O-CG 3.44Å; E405-L409 PolarHBondContact O-N 2.94Å; L409-Q411 VanDerWaalsContact C-N 3.35Å; L409-C412 PolarHBondContact O-N 3.06Å; L409-V413 WeakPolarHBondContact O-CG2 3.28Å; L409-V413 PolarHBondContact O-N 3.46Å |
| 410 | L | 87 | Confident | 87.6 | Confident | 81 Ų | 81 | 82 Ų | 82 | 42% | 0.424 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.8 | -32.2 | 174.4 | -73.7 | 169.3 | 0 | 0 | 0 | 112.6 | L212 R406 N407 V408 R414 | L212-L410 HydrophobicContact CD1-CD1 3.83Å; L212-L410 HydrophobicContact CD2-CD1 4.27Å; L212-L410 HydrophobicContact CG-CD1 3.82Å; R406-L410 WeakPolarHBondContact O-CB 3.4Å; R406-L410 WeakPolarHBondContact O-CG 3.24Å; R406-L410 PolarHBondContact O-N 3.29Å; N407-L410 PolarHBondContact O-N 2.89Å; V408-L410 VanDerWaalsContact C-N 3.34Å; V408-L410 PolarHBondContact O-N 3.37Å; L410-R414 WeakPolarHBondContact O-CB 3.43Å; L410-R414 PolarHBondContact O-N 3.15Å |
| 411 | Q | 86.9 | Confident | 87.4 | Confident | 66 Ų | 66 | 85.1 Ų | 85.1 | 31% | 0.308 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.2 | -48.6 | 169.6 | -74.8 | 165 | -14.4 | 0 | 0 | 111.1 | I208 N407 V408 L409 R414 Y415 | I208-Q411 WeakPolarHBondContact O-CG 3.43Å; I208-Q411 PolarHBondContact O-NE2 2.89Å; N407-Q411 VanDerWaalsContact O-CG 3.3Å; N407-Q411 WeakPolarHBondContact O-CG 3.46Å; N407-Q411 PolarHBondContact O-N 3.16Å; V408-Q411 WeakPolarHBondContact O-CB 3.4Å; V408-Q411 PolarHBondContact O-N 3.31Å; L409-Q411 VanDerWaalsContact C-N 3.35Å; Q411-R414 PolarHBondContact O-N 3.37Å; Q411-Y415 WeakPolarHBondContact O-CB 3.36Å; Q411-Y415 PolarHBondContact O-N 3.42Å |
| 412 | C | 89.1 | Confident | 87.1 | Confident | 70 Ų | 70 | 87.8 Ų | 87.8 | 47% | 0.473 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.2 | -47.7 | 176.1 | -64.3 | 0 | 0 | 0 | 0 | 111.8 | V408 L409 Y415 V416 | V408-C412 PolarHBondContact O-N 3.16Å; V408-C412 PolarHBondContact O-SG 3.32Å; V408-C412 VanDerWaalsContact O-SG 3.33Å; L409-C412 PolarHBondContact O-N 3.06Å; C412-Y415 WeakPolarHBondContact O-CB 3.43Å; C412-Y415 PolarHBondContact O-N 2.85Å; C412-V416 WeakPolarHBondContact O-CG2 3.41Å; C412-V416 PolarHBondContact O-N 3.03Å |
| 413 | V | 88.1 | Confident | 86.5 | Confident | 87 Ų | 87 | 87.9 Ų | 87.9 | 53% | 0.527 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 176.9 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | L409 Y415 V416 V417 | L409-V413 WeakPolarHBondContact O-CG2 3.28Å; L409-V413 PolarHBondContact O-N 3.46Å; V413-Y415 VanDerWaalsContact C-N 3.28Å; V413-Y415 PolarHBondContact O-N 3.41Å; V413-V416 PolarHBondContact O-N 2.88Å; V413-V417 HydrophobicContact CG1-CG2 4.47Å; V413-V417 WeakPolarHBondContact O-CG2 3.37Å; V413-V417 PolarHBondContact O-N 3.26Å |
| 414 | R | 86 | Confident | 85.7 | Confident | 98 Ų | 98 | 92.7 Ų | 92.7 | 37% | 0.37 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.8 | -34.7 | 177.8 | -170.6 | -177.2 | -177.5 | -178.4 | 4.2 | 112.2 | E206 Q207 L410 Q411 R418 | E206-R414 PolarHBondContact O-NH1 2.75Å; Q207-R414 PolarHBondContact O-NH1 2.94Å; L410-R414 WeakPolarHBondContact O-CB 3.43Å; L410-R414 PolarHBondContact O-N 3.15Å; Q411-R414 PolarHBondContact O-N 3.37Å; R414-R418 WeakPolarHBondContact O-CB 3.47Å; R414-R418 WeakPolarHBondContact O-CG 3.37Å; R414-R418 PolarHBondContact O-N 3.3Å |
| 415 | Y | 87.9 | Confident | 84.4 | Confident | 67 Ų | 67 | 91.2 Ų | 91.2 | 26% | 0.263 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.5 | -48.4 | 172.1 | 172.2 | -104.7 | 0 | 0 | 0 | 111.8 | L331 Q411 C412 V413 V417 R418 N419 F421 | L331-Y415 HydrophobicContact CD1-CE2 4.28Å; L331-Y415 HydrophobicContact CD2-CD2 4.44Å; L331-Y415 HydrophobicContact CD2-CE2 3.39Å; L331-Y415 WeakPolarHBondContact CD2-OH 3.41Å; L331-Y415 HydrophobicContact CG-CE2 4.49Å; Q411-Y415 WeakPolarHBondContact O-CB 3.36Å; Q411-Y415 PolarHBondContact O-N 3.42Å; C412-Y415 WeakPolarHBondContact O-CB 3.43Å; C412-Y415 PolarHBondContact O-N 2.85Å; V413-Y415 VanDerWaalsContact C-N 3.28Å; V413-Y415 PolarHBondContact O-N 3.41Å; Y415-V417 VanDerWaalsContact C-N 3.27Å; Y415-V417 PolarHBondContact O-N 2.9Å; Y415-R418 PolarHBondContact O-N 3.3Å; Y415-N419 WeakPolarHBondContact CE2-ND2 3.3Å; Y415-N419 WeakPolarHBondContact CE2-OD1 3.24Å; Y415-N419 WeakPolarHBondContact O-CB 3.45Å; Y415-N419 PolarHBondContact O-N 3.43Å; Y415-N419 VanDerWaalsContact O-N 3.08Å; Y415-N419 PolarHBondContact O-OD1 3.34Å; Y415-N419 PolarHBondContact OH-ND2 3.2Å; Y415-F421 HydrophobicContact CE1-CE2 4.06Å |
| 416 | V | 89.4 | Confident | 82.8 | Confident | 45 Ų | 45 | 92.3 Ų | 92.3 | 27% | 0.273 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.4 | -37 | 178.4 | 174.7 | 0 | 0 | 0 | 0 | 111.9 | C412 V413 H420 F421 F422 | C412-V416 WeakPolarHBondContact O-CG2 3.41Å; C412-V416 PolarHBondContact O-N 3.03Å; V413-V416 PolarHBondContact O-N 2.88Å; V416-H420 PolarHBondContact O-N 3.05Å; V416-F421 HydrophobicContact CB-CD2 4.39Å; V416-F421 HydrophobicContact CG1-CB 3.92Å; V416-F421 HydrophobicContact CG1-CD2 4.15Å; V416-F421 HydrophobicContact CG1-CG 4.36Å; V416-F421 PolarHBondContact O-N 3.33Å; V416-F422 HydrophobicContact CG1-CD2 4.3Å; V416-F422 HydrophobicContact CG1-CE2 3.52Å; V416-F422 HydrophobicContact CG1-CZ 3.68Å |
| 417 | V | 87.6 | Confident | 81 | Confident | 83 Ų | 83 | 88.9 Ų | 88.9 | 50% | 0.503 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -70.7 | -48.1 | 174.4 | 173.6 | 0 | 0 | 0 | 0 | 112.1 | V413 Y415 N419 H420 | V413-V417 HydrophobicContact CG1-CG2 4.47Å; V413-V417 WeakPolarHBondContact O-CG2 3.37Å; V413-V417 PolarHBondContact O-N 3.26Å; Y415-V417 VanDerWaalsContact C-N 3.27Å; Y415-V417 PolarHBondContact O-N 2.9Å; V417-N419 PolarHBondContact O-N 2.94Å; V417-N419 VanDerWaalsContact O-N 3.14Å; V417-H420 PolarHBondContact O-N 2.99Å |
| 418 | R | 85.3 | Confident | 79.3 | Confident | 133 Ų | 133 | 93.2 Ų | 93.2 | 50% | 0.502 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.3 | -26.5 | 177.9 | -80 | -164.2 | -154.5 | 100.6 | -20.2 | 113.8 | R414 Y415 H420 | R414-R418 WeakPolarHBondContact O-CB 3.47Å; R414-R418 WeakPolarHBondContact O-CG 3.37Å; R414-R418 PolarHBondContact O-N 3.3Å; Y415-R418 PolarHBondContact O-N 3.3Å; R418-H420 PolarHBondContact O-CD2 3.24Å; R418-H420 PolarHBondContact O-NE2 2.8Å |
| 419 | N | 89.8 | Confident | 77.4 | Confident | 70 Ų | 70 | 97.4 Ų | 97.4 | 37% | 0.374 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 10 | -179 | -74.4 | 46.5 | 0 | 0 | 0 | 112.6 | Y415 V417 F421 | Y415-N419 WeakPolarHBondContact CE2-ND2 3.3Å; Y415-N419 WeakPolarHBondContact CE2-OD1 3.24Å; Y415-N419 WeakPolarHBondContact O-CB 3.45Å; Y415-N419 PolarHBondContact O-N 3.43Å; Y415-N419 VanDerWaalsContact O-N 3.08Å; Y415-N419 PolarHBondContact O-OD1 3.34Å; Y415-N419 PolarHBondContact OH-ND2 3.2Å; V417-N419 PolarHBondContact O-N 2.94Å; V417-N419 VanDerWaalsContact O-N 3.14Å; N419-F421 HydrophobicContact CB-CD2 3.51Å; N419-F421 HydrophobicContact CB-CE2 3.37Å; N419-F421 HydrophobicContact CB-CZ 4.39Å; N419-F421 PolarHBondContact O-N 2.91Å |
| 420 | H | 82.5 | Confident | 75.2 | Confident | 105 Ų | 105 | 100.2 Ų | 100.2 | 49% | 0.486 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 25.5 | 172.8 | -47.1 | -82 | 0 | 0 | 0 | 115.6 | V416 V417 R418 F422 G423 E425 | V416-H420 PolarHBondContact O-N 3.05Å; V417-H420 PolarHBondContact O-N 2.99Å; R418-H420 PolarHBondContact O-CD2 3.24Å; R418-H420 PolarHBondContact O-NE2 2.8Å; H420-F422 PolarHBondContact O-N 3.2Å; H420-G423 PolarHBondContact O-N 3.11Å; H420-E425 IonicContact CE1-OE1 3.43Å; H420-E425 PolarHBondContact CE1-OE1 2.8Å; H420-E425 IonicContact CE1-OE2 3.17Å; H420-E425 PolarHBondContact CE1-OE2 2.77Å; H420-E425 IonicContact CG-OE1 3.93Å; H420-E425 IonicContact ND1-OE1 2.75Å; H420-E425 PolarHBondContact ND1-OE1 2.97Å; H420-E425 IonicContact ND1-OE2 3.17Å; H420-E425 PolarHBondContact ND1-OE2 2.95Å |
| 421 | F | 81.6 | Confident | 73.4 | Confident | 133 Ų | 133 | 107.8 Ų | 107.8 | 58% | 0.583 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -17 | -175 | -81.8 | -83 | 0 | 0 | 0 | 115.1 | Y415 V416 N419 | Y415-F421 HydrophobicContact CE1-CE2 4.06Å; V416-F421 HydrophobicContact CB-CD2 4.39Å; V416-F421 HydrophobicContact CG1-CB 3.92Å; V416-F421 HydrophobicContact CG1-CD2 4.15Å; V416-F421 HydrophobicContact CG1-CG 4.36Å; V416-F421 PolarHBondContact O-N 3.33Å; N419-F421 HydrophobicContact CB-CD2 3.51Å; N419-F421 HydrophobicContact CB-CE2 3.37Å; N419-F421 HydrophobicContact CB-CZ 4.39Å; N419-F421 PolarHBondContact O-N 2.91Å |
| 422 | F | 82.3 | Confident | 71.3 | Confident | 139 Ų | 139 | 113.7 Ų | 113.7 | 61% | 0.61 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -7.2 | 178.1 | -59 | -63.8 | 0 | 0 | 0 | 114.4 | V416 H420 L424 | V416-F422 HydrophobicContact CG1-CD2 4.3Å; V416-F422 HydrophobicContact CG1-CE2 3.52Å; V416-F422 HydrophobicContact CG1-CZ 3.68Å; H420-F422 PolarHBondContact O-N 3.2Å; F422-L424 HydrophobicContact CB-CD1 4.09Å; F422-L424 HydrophobicContact CB-CG 3.92Å; F422-L424 PolarHBondContact O-N 2.76Å; F422-L424 VanDerWaalsContact O-N 3.11Å |
| 423 | G | 72.1 | Confident | 69.1 | Low | 43 Ų | 43 | 113.8 Ų | 113.8 | 44% | 0.443 | 60% | 0.599 | S | S | . | * | trans | 64.5 | 12.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | H420 E425 | H420-G423 PolarHBondContact O-N 3.11Å; G423-E425 VanDerWaalsContact C-N 3.29Å; G423-E425 PolarHBondContact O-N 3.08Å | ||
| 424 | L | 67.8 | Low | 67.3 | Low | 146 Ų | 146 | 116.7 Ų | 116.7 | 76% | 0.764 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -72.4 | -16.2 | -169.2 | -62 | 177.1 | 0 | 0 | 0 | 114.6 | F422 N426 | F422-L424 HydrophobicContact CB-CD1 4.09Å; F422-L424 HydrophobicContact CB-CG 3.92Å; F422-L424 PolarHBondContact O-N 2.76Å; F422-L424 VanDerWaalsContact O-N 3.11Å; L424-N426 VanDerWaalsContact C-N 3.34Å |
| 425 | E | 60.2 | Low | 64.9 | Low | 100 Ų | 100 | 118.6 Ų | 118.6 | 47% | 0.467 | 63% | 0.627 | S | S | . | * | G | 310 helix | trans | -82.1 | -13.4 | -176.4 | -74.9 | 163.4 | -119.3 | 0 | 0 | 113.3 | H420 G423 G427 | H420-E425 IonicContact CE1-OE1 3.43Å; H420-E425 PolarHBondContact CE1-OE1 2.8Å; H420-E425 IonicContact CE1-OE2 3.17Å; H420-E425 PolarHBondContact CE1-OE2 2.77Å; H420-E425 IonicContact CG-OE1 3.93Å; H420-E425 IonicContact ND1-OE1 2.75Å; H420-E425 PolarHBondContact ND1-OE1 2.97Å; H420-E425 IonicContact ND1-OE2 3.17Å; H420-E425 PolarHBondContact ND1-OE2 2.95Å; G423-E425 VanDerWaalsContact C-N 3.29Å; G423-E425 PolarHBondContact O-N 3.08Å; E425-G427 PolarHBondContact O-N 2.83Å |
| 426 | N | 55.8 | Low | 62.7 | Low | 140 Ų | 140 | 124.9 Ų | 124.9 | 75% | 0.749 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -68 | -1.3 | 174.6 | -61.9 | 20.4 | 0 | 0 | 0 | 113.3 | L424 | L424-N426 VanDerWaalsContact C-N 3.34Š|
| 427 | G | 53.9 | Low | 60.3 | Low | 74 Ų | 74 | 131.1 Ų | 131.1 | 76% | 0.763 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -86.3 | -4.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | E425 | E425-G427 PolarHBondContact O-N 2.83Š|
| 428 | S | 51.6 | Low | 57.8 | Low | 107 Ų | 107 | 134.3 Ų | 134.3 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -150.7 | 28.3 | -173.2 | 64.3 | 0 | 0 | 0 | 0 | 115.7 | ||
| 429 | Q | 49.2 | Very low | 55.3 | Low | 145 Ų | 145 | 136.3 Ų | 136.3 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | trans | -109.8 | 7.7 | 179.3 | -77.2 | -169.9 | -22.2 | 0 | 0 | 115.6 | R431 | Q429-R431 PolarHBondContact O-N 2.86Š| ||
| 430 | D | 46 | Very low | 52.4 | Low | 173 Ų | 173 | 139.2 Ų | 139.2 | 93% | 0.925 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 48.3 | 168.2 | -73.6 | -27.8 | 0 | 0 | 0 | 112.7 | ||
| 431 | R | 47.2 | Very low | 50 | Low | 240 Ų | 240 | 140.5 Ų | 140.5 | 91% | 0.906 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -160.9 | -13.9 | 171.1 | -127.3 | 170.6 | -178.1 | 179.6 | -1.3 | 119.7 | Q429 | Q429-R431 PolarHBondContact O-N 2.86Š|
| 432 | E | 44.2 | Very low | 47.6 | Very low | 189 Ų | 189 | 140.2 Ų | 140.2 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | -117.8 | 30.2 | -173.1 | -65.4 | -172.5 | 166.1 | 0 | 0 | 113.8 | I434 | E432-I434 PolarHBondContact O-N 2.76Š| ||
| 433 | G | 43.1 | Very low | 45.1 | Very low | 73 Ų | 73 | 137.5 Ų | 137.5 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | -81.4 | 90.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 434 | I | 49.4 | Very low | 43 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | -169.3 | 139.7 | 158.4 | -101.5 | 151.9 | 0 | 0 | 0 | 108.8 | E432 | E432-I434 PolarHBondContact O-N 2.76Š| ||
| 435 | N | 36.7 | Very low | 41.3 | Very low | 138 Ų | 138 | 140 Ų | 140 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 64.2 | 82.2 | 172.6 | -58.6 | -20.4 | 0 | 0 | 0 | 118.6 | ||
| 436 | Q | 41.2 | Very low | 40 | Very low | 199 Ų | 199 | 143.4 Ų | 143.4 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | -172.6 | 81.8 | 115.6 | -100.7 | 153 | 103.7 | 0 | 0 | 112.4 | |||||
| 437 | E | 39.1 | Very low | 38.8 | Very low | 176 Ų | 176 | 143.2 Ų | 143.2 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -114.2 | 154.5 | 154.1 | -72.7 | -176.8 | -155.3 | 0 | 0 | 108.6 | ||||
| 438 | N | 34.2 | Very low | 38 | Very low | 151 Ų | 151 | 148.1 Ų | 148.1 | 81% | 0.807 | 81% | 0.807 | S | S | * | * | trans | 71.9 | 108.2 | -171.8 | -48 | -65.7 | 0 | 0 | 0 | 115.9 | ||||
| 439 | L | 32.9 | Very low | 37 | Very low | 175 Ų | 175 | 152 Ų | 152 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | -172.6 | 98.9 | 102 | -100.3 | 164.6 | 0 | 0 | 0 | 111.6 | |||||
| 440 | T | 30 | Very low | 36.2 | Very low | 131 Ų | 131 | 152.4 Ų | 152.4 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -107.4 | 117.2 | 165.6 | 39.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 441 | V | 32.1 | Very low | 36.2 | Very low | 131 Ų | 131 | 149.6 Ų | 149.6 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | 51.2 | 107.9 | 151.1 | -169.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 442 | S | 29.6 | Very low | 35.2 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | -149.6 | 157.5 | 134.4 | -81.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 443 | A | 31.6 | Very low | 34.5 | Very low | 81 Ų | 81 | 138.9 Ų | 138.9 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | trans | -145.8 | 172.5 | -165.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 444 | T | 28 | Very low | 33.9 | Very low | 133 Ų | 133 | 146.1 Ų | 146.1 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | trans | 80.1 | 151.2 | 167.4 | 71.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 445 | S | 32 | Very low | 33 | Very low | 109 Ų | 109 | 144.3 Ų | 144.3 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | 67 | 148 | 178.7 | 70.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 446 | E | 32.9 | Very low | 32.6 | Very low | 171 Ų | 171 | 144.4 Ų | 144.4 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | cis | -166 | 165.6 | -42.6 | -132 | 163.9 | -157 | 0 | 0 | 110 | ||||
| 447 | L | 30.8 | Very low | 32.2 | Very low | 137 Ų | 137 | 139.8 Ų | 139.8 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | trans | 63.5 | 101.2 | 160.9 | -60.7 | 170.1 | 0 | 0 | 0 | 121.2 | ||||
| 448 | E | 36.9 | Very low | 31.7 | Very low | 176 Ų | 176 | 138 Ų | 138 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | 64.6 | 152.7 | 120.1 | -64.6 | -173.2 | 144.8 | 0 | 0 | 125.2 | |||||
| 449 | E | 30.3 | Very low | 31.6 | Very low | 189 Ų | 189 | 136 Ų | 136 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | 81.6 | 108.5 | 163 | -53.7 | -124.4 | 122.8 | 0 | 0 | 121.7 | ||||
| 450 | E | 33.1 | Very low | 31.5 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | -53.4 | 162.7 | 147.9 | -85.1 | -79.9 | 151 | 0 | 0 | 111.5 | V452 | E450-V452 PolarHBondContact OE2-N 3.02Š| ||
| 451 | P | 45.1 | Very low | 31.5 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | -159.4 | 153.5 | 52.7 | 44 | -21.1 | 0 | 0 | 0 | 121.8 | |||||
| 452 | V | 26.9 | Very low | 31.6 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 67% | 0.667 | 74% | 0.742 | S | S | * | * | 56.5 | 99.9 | 126.9 | -174.7 | 0 | 0 | 0 | 0 | 121 | E450 | E450-V452 PolarHBondContact OE2-N 3.02Š| |||
| 453 | S | 29.3 | Very low | 31.7 | Very low | 95 Ų | 95 | 137.6 Ų | 137.6 | 66% | 0.664 | 73% | 0.734 | S | S | * | * | 101.9 | 148.2 | 121 | 81.9 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 454 | R | 29.4 | Very low | 31.6 | Very low | 225 Ų | 225 | 141.7 Ų | 141.7 | 85% | 0.849 | 74% | 0.739 | S | S | * | * | trans | 67.3 | 116.5 | 138.1 | -87.4 | 176.9 | 165.6 | 146.4 | -3.9 | 122.9 | ||||
| 455 | S | 30.3 | Very low | 31.5 | Very low | 108 Ų | 108 | 143.5 Ų | 143.5 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | 171.7 | 152.3 | 121.5 | 35.4 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 456 | D | 29.5 | Very low | 31.4 | Very low | 141 Ų | 141 | 143.8 Ų | 143.8 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | cis | -164.5 | 169.6 | -19.7 | -110.7 | -37.2 | 0 | 0 | 0 | 112.3 | ||||
| 457 | S | 32.6 | Very low | 31.2 | Very low | 101 Ų | 101 | 140.6 Ų | 140.6 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | trans | 69.2 | 153.1 | 157.5 | 77.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 458 | N | 28.5 | Very low | 31.1 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | cis | -155.8 | 139.4 | -11.7 | -112.8 | -6.4 | 0 | 0 | 0 | 108.2 | ||||
| 459 | V | 31.6 | Very low | 30.7 | Very low | 109 Ų | 109 | 139.3 Ų | 139.3 | 66% | 0.661 | 72% | 0.715 | S | S | * | * | 60.7 | 125.2 | 88.7 | 173.9 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 460 | H | 30.4 | Very low | 30.9 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 74% | 0.741 | 71% | 0.712 | S | S | * | * | cis | -132.5 | -177.6 | 31.6 | -87.2 | -81.4 | 0 | 0 | 0 | 111.5 | ||||
| 461 | D | 30 | Very low | 31.4 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 66% | 0.663 | 71% | 0.712 | S | S | * | * | cis | -163.2 | 168.9 | -2 | -119.9 | -2.9 | 0 | 0 | 0 | 113.6 | ||||
| 462 | E | 34.3 | Very low | 30.7 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 58% | 0.575 | 71% | 0.712 | S | S | * | * | trans | 29.8 | 139.7 | 139.3 | -54.1 | -82.2 | 70.2 | 0 | 0 | 122.5 | ||||
| 463 | R | 32.3 | Very low | 31.1 | Very low | 192 Ų | 192 | 133.7 Ų | 133.7 | 73% | 0.725 | 70% | 0.702 | S | S | * | * | cis | -159.5 | 141.3 | -4 | -100.3 | 175.3 | -61.6 | -137.6 | 0.4 | 108.2 | ||||
| 464 | H | 29.5 | Very low | 31.3 | Very low | 168 Ų | 168 | 138.7 Ų | 138.7 | 78% | 0.778 | 71% | 0.706 | S | S | * | * | 41 | 135.5 | 85.1 | -83.7 | -98.6 | 0 | 0 | 0 | 115.4 | |||||
| 465 | F | 26.5 | Very low | 31.4 | Very low | 170 Ų | 170 | 135 Ų | 135 | 75% | 0.746 | 70% | 0.703 | S | S | * | * | -163.3 | 160.7 | 53.7 | -153 | -127.8 | 0 | 0 | 0 | 107.1 | |||||
| 466 | E | 28.8 | Very low | 31.6 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 54% | 0.537 | 71% | 0.71 | S | S | . | * | cis | -146.7 | 177.2 | 5.6 | -149.3 | -168 | 139.7 | 0 | 0 | 106.2 | L468 | E466-L468 PolarHBondContact OE1-N 2.83Š| ||
| 467 | T | 28.8 | Very low | 31.6 | Very low | 104 Ų | 104 | 140.7 Ų | 140.7 | 64% | 0.638 | 72% | 0.717 | S | S | * | * | cis | 60.4 | 166.5 | 22.2 | 30.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 468 | L | 28.8 | Very low | 31.4 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 71% | 0.712 | 72% | 0.718 | S | S | * | * | cis | -100.1 | -149 | -13.9 | -74.5 | 168.6 | 0 | 0 | 0 | 109.4 | E466 | E466-L468 PolarHBondContact OE1-N 2.83Š| ||
| 469 | I | 27.9 | Very low | 31.4 | Very low | 150 Ų | 150 | 141.4 Ų | 141.4 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | cis | -149.4 | 149.3 | 2.1 | -44.5 | 161.1 | 0 | 0 | 0 | 108.8 | ||||
| 470 | V | 35.4 | Very low | 31.1 | Very low | 134 Ų | 134 | 139.7 Ų | 139.7 | 81% | 0.812 | 73% | 0.733 | S | S | * | * | trans | -141.6 | 142.1 | 163.5 | 176.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 471 | P | 44.2 | Very low | 31 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | trans | -138.5 | 153.9 | 131.1 | 36.2 | -23.8 | 0 | 0 | 0 | 111.7 | ||||
| 472 | D | 29.6 | Very low | 31 | Very low | 137 Ų | 137 | 140.1 Ų | 140.1 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | cis | 105.8 | 145.3 | 21.7 | -173.1 | 53.7 | 0 | 0 | 0 | 115.5 | ||||
| 473 | S | 34.8 | Very low | 30.7 | Very low | 64 Ų | 64 | 139.8 Ų | 139.8 | 45% | 0.448 | 75% | 0.754 | S | S | . | * | trans | 88.8 | 109.7 | 160.5 | -74.8 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 474 | R | 34.3 | Very low | 30.6 | Very low | 201 Ų | 201 | 135 Ų | 135 | 76% | 0.758 | 76% | 0.756 | S | S | * | * | 77.1 | 114.6 | 120.3 | -66 | 173.3 | -117 | -148.6 | -7.2 | 124.3 | |||||
| 475 | D | 31.8 | Very low | 30.8 | Very low | 147 Ų | 147 | 134 Ų | 134 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | 45.4 | 123.5 | 118.8 | -38.8 | -34.7 | 0 | 0 | 0 | 123.5 | |||||
| 476 | I | 33.1 | Very low | 31.1 | Very low | 175 Ų | 175 | 134.1 Ų | 134.1 | 90% | 0.897 | 75% | 0.747 | S | S | * | * | trans | -146.4 | 142.7 | 150.5 | -63.4 | -172.1 | 0 | 0 | 0 | 109.8 | ||||
| 477 | E | 31.1 | Very low | 31.1 | Very low | 194 Ų | 194 | 133.6 Ų | 133.6 | 91% | 0.907 | 75% | 0.752 | S | S | * | * | trans | -95 | 165.2 | 177.3 | -54.6 | -179.2 | 135.9 | 0 | 0 | 113.7 | ||||
| 478 | G | 27.8 | Very low | 31.3 | Very low | 71 Ų | 71 | 136.1 Ų | 136.1 | 73% | 0.732 | 76% | 0.756 | S | S | * | * | trans | 176.7 | 72.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 479 | L | 29.3 | Very low | 31.4 | Very low | 182 Ų | 182 | 137.9 Ų | 137.9 | 95% | 0.953 | 76% | 0.761 | S | S | * | * | trans | 53.7 | 125.5 | 141 | -57 | 176.1 | 0 | 0 | 0 | 124 | ||||
| 480 | G | 24.9 | Very low | 31.3 | Very low | 73 Ų | 73 | 135.3 Ų | 135.3 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | trans | 82.3 | 162 | 141.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 481 | S | 28.4 | Very low | 31.1 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | cis | 177.2 | 163.8 | -30.8 | 39.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 482 | E | 28.9 | Very low | 30.5 | Very low | 187 Ų | 187 | 139.3 Ų | 139.3 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | trans | 73.5 | 158.6 | 175.4 | -48.5 | -175.2 | 117.3 | 0 | 0 | 117 | ||||
| 483 | S | 28.9 | Very low | 30.6 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | 179.6 | 176.3 | -65.4 | -87.3 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 484 | A | 30.8 | Very low | 30.4 | Very low | 91 Ų | 91 | 142.9 Ų | 142.9 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | 76.6 | 127.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 485 | E | 32.8 | Very low | 30.3 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | 69.2 | 135.8 | 58.7 | -66.5 | -153.5 | 152.2 | 0 | 0 | 112.8 | |||||
| 486 | R | 33 | Very low | 30.3 | Very low | 173 Ų | 173 | 140.8 Ų | 140.8 | 65% | 0.653 | 78% | 0.78 | S | S | * | * | cis | -159.4 | -177.1 | 8.8 | -112.6 | 167.5 | -160.2 | -77.3 | -14.5 | 108.3 | ||||
| 487 | T | 29.4 | Very low | 30.1 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 64% | 0.638 | 77% | 0.772 | S | S | * | * | cis | -159.2 | 173.6 | 12.3 | -8.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 488 | E | 32.7 | Very low | 30.3 | Very low | 156 Ų | 156 | 136.1 Ų | 136.1 | 73% | 0.729 | 77% | 0.769 | S | S | * | * | trans | -16.8 | 163.6 | 137.3 | -73.5 | 142 | -127.4 | 0 | 0 | 119.3 | ||||
| 489 | E | 30.1 | Very low | 30.8 | Very low | 174 Ų | 174 | 139.1 Ų | 139.1 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | cis | -171.8 | 170.8 | -19.7 | -158.2 | -155 | 154.8 | 0 | 0 | 108.4 | ||||
| 490 | S | 26.6 | Very low | 30.9 | Very low | 96 Ų | 96 | 139.4 Ų | 139.4 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | trans | 58.9 | 126.2 | 147.2 | -164.2 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 491 | S | 29.8 | Very low | 31.7 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | -175 | 166.8 | 120.9 | 34.1 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 492 | R | 32.2 | Very low | 32 | Very low | 213 Ų | 213 | 144.9 Ų | 144.9 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -129 | 171.2 | -175.6 | -66.7 | -178.2 | 175 | -179.5 | -0.7 | 111.8 | ||||
| 493 | E | 32.8 | Very low | 32.3 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | trans | 69.9 | 156 | 160.7 | -68.9 | 142.7 | -134.9 | 0 | 0 | 114.5 | ||||
| 494 | S | 29.1 | Very low | 32.6 | Very low | 115 Ų | 115 | 141.6 Ų | 141.6 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | cis | -150.6 | -175.8 | 25.2 | -158.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 495 | V | 33.3 | Very low | 32.9 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | trans | -83.8 | 155.5 | -169.2 | -173.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 496 | Q | 31.6 | Very low | 33.2 | Very low | 189 Ų | 189 | 142.6 Ų | 142.6 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | -152 | 148.4 | 141.9 | -120.6 | 162.1 | 68.2 | 0 | 0 | 113.6 | ||||
| 497 | S | 28.3 | Very low | 33 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -143.9 | 146.8 | 179.4 | -56.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 498 | I | 35.4 | Very low | 33.1 | Very low | 167 Ų | 167 | 138.3 Ų | 138.3 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | -140.2 | 142.1 | 167 | -63.1 | -174.7 | 0 | 0 | 0 | 108.8 | ||||
| 499 | E | 38.8 | Very low | 33.1 | Very low | 134 Ų | 134 | 140.4 Ų | 140.4 | 63% | 0.626 | 78% | 0.784 | S | S | * | * | trans | -110.5 | 156.4 | 174.4 | -52.9 | -178.9 | 109.9 | 0 | 0 | 111.4 | K501 | E499-K501 WeakPolarHBondContact OE1-CE 3.44Å; E499-K501 IonicContact OE1-NZ 2.65Å; E499-K501 PolarHBondContact OE1-NZ 3.12Å; E499-K501 IonicContact OE2-NZ 3.75Å; E499-K501 PolarHBondContact OE2-NZ 3.48Å | ||
| 500 | E | 32.3 | Very low | 33.4 | Very low | 189 Ų | 189 | 139.2 Ų | 139.2 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -172.1 | 134.6 | 135.2 | -105.2 | 179.3 | 151.4 | 0 | 0 | 107.7 | ||||
| 501 | K | 40.3 | Very low | 34.6 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 62% | 0.622 | 78% | 0.783 | S | S | * | * | cis | 82.1 | 101.5 | 22.6 | -62.2 | 179.7 | -179.9 | 161.4 | 0 | 116.9 | E499 | E499-K501 WeakPolarHBondContact OE1-CE 3.44Å; E499-K501 IonicContact OE1-NZ 2.65Å; E499-K501 PolarHBondContact OE1-NZ 3.12Å; E499-K501 IonicContact OE2-NZ 3.75Å; E499-K501 PolarHBondContact OE2-NZ 3.48Å | ||
| 502 | T | 35.9 | Very low | 34.7 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 92% | 0.92 | 78% | 0.78 | S | S | * | * | trans | -144.2 | 146.2 | 145.2 | 45.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 503 | A | 35.3 | Very low | 34.6 | Very low | 100 Ų | 100 | 135.5 Ų | 135.5 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | trans | -164.4 | 144.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 504 | T | 34.3 | Very low | 34.9 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | trans | -156.8 | 117.5 | 166.6 | -42.2 | 0 | 0 | 0 | 0 | 106 | ||||
| 505 | A | 37.7 | Very low | 35.2 | Very low | 74 Ų | 74 | 135 Ų | 135 | 61% | 0.612 | 78% | 0.78 | S | S | * | * | 73.2 | 136.3 | 58.6 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 506 | H | 38.4 | Very low | 35.4 | Very low | 185 Ų | 185 | 137 Ų | 137 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | cis | -146.4 | 168.4 | 18.1 | -87.1 | -82 | 0 | 0 | 0 | 114.6 | ||||
| 507 | S | 28.9 | Very low | 35.5 | Very low | 123 Ų | 123 | 136 Ų | 136 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | 86.7 | 144.8 | 156 | -148.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 508 | G | 32.3 | Very low | 35.9 | Very low | 64 Ų | 64 | 135.4 Ų | 135.4 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | cis | 161.7 | 175.5 | -11.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 509 | Q | 32.7 | Very low | 35.9 | Very low | 201 Ų | 201 | 137.3 Ų | 137.3 | 94% | 0.939 | 78% | 0.783 | S | S | * | * | trans | 64.2 | 108.8 | 177.6 | -70.1 | -167.5 | -18.6 | 0 | 0 | 119.6 | ||||
| 510 | D | 35 | Very low | 35.8 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -88.8 | 168.6 | 161.7 | -136.4 | -15.6 | 0 | 0 | 0 | 108.9 | ||||
| 511 | P | 52.4 | Low | 36.1 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | -157.9 | 145.3 | 77.2 | 41.2 | -20.1 | 0 | 0 | 0 | 119.5 | |||||
| 512 | T | 32 | Very low | 35.9 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | 52.1 | 127.1 | 137 | 65 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 513 | S | 29.3 | Very low | 36 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | -156.4 | 146.2 | 106.5 | -165.3 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 514 | T | 39.1 | Very low | 36.3 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -101.3 | 161.5 | 179.3 | 53.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 515 | N | 35.3 | Very low | 36.5 | Very low | 150 Ų | 150 | 138.5 Ų | 138.5 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | -173.1 | 127.8 | 117 | -89.4 | -17.1 | 0 | 0 | 0 | 112.3 | |||||
| 516 | N | 38.5 | Very low | 37 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | trans | -108.8 | 137.7 | 164.7 | -74.9 | -52.3 | 0 | 0 | 0 | 108.6 | ||||
| 517 | I | 33.4 | Very low | 36.9 | Very low | 168 Ų | 168 | 141.4 Ų | 141.4 | 86% | 0.862 | 79% | 0.786 | S | S | * | * | trans | -131.1 | 153 | 162.9 | -69.3 | -175.5 | 0 | 0 | 0 | 107.5 | ||||
| 518 | S | 35.7 | Very low | 37.4 | Very low | 91 Ų | 91 | 146.7 Ų | 146.7 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | trans | -145.3 | 162 | -159.8 | -45.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 519 | K | 36.1 | Very low | 37.8 | Very low | 207 Ų | 207 | 151.7 Ų | 151.7 | 90% | 0.9 | 79% | 0.793 | S | S | * | * | trans | 74 | 154.7 | 168.7 | -56 | 165.5 | -179.9 | 175.8 | 0 | 113.1 | ||||
| 520 | S | 36.1 | Very low | 38.1 | Very low | 104 Ų | 104 | 149.9 Ų | 149.9 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | cis | -149.2 | 160.1 | 25 | 49.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 521 | N | 39 | Very low | 38.3 | Very low | 165 Ų | 165 | 149.8 Ų | 149.8 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | trans | -78.5 | 147 | 164.9 | -61.8 | 2.4 | 0 | 0 | 0 | 111.1 | ||||
| 522 | V | 37.5 | Very low | 37.8 | Very low | 126 Ų | 126 | 147.6 Ų | 147.6 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | trans | -141.2 | 143.1 | 152.7 | 179.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 523 | Y | 37.9 | Very low | 38 | Very low | 199 Ų | 199 | 148 Ų | 148 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | trans | -104.7 | 148.3 | 171.6 | -120.1 | -93 | 0 | 0 | 0 | 107.5 | ||||
| 524 | D | 40.8 | Very low | 38.6 | Very low | 160 Ų | 160 | 147.2 Ų | 147.2 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | -161.4 | 138.7 | 151.9 | -90.2 | -41.7 | 0 | 0 | 0 | 109.8 | ||||
| 525 | D | 38.5 | Very low | 38.7 | Very low | 122 Ų | 122 | 149.9 Ų | 149.9 | 65% | 0.652 | 79% | 0.793 | S | S | * | * | trans | -124.9 | 108.9 | -175.7 | -75.4 | -67.4 | 0 | 0 | 0 | 110.6 | ||||
| 526 | E | 47.6 | Very low | 39.4 | Very low | 173 Ų | 173 | 156.2 Ų | 156.2 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | trans | -137.9 | 108.2 | 167 | -65.8 | -170.3 | 157 | 0 | 0 | 107.9 | ||||
| 527 | I | 36.6 | Very low | 39.4 | Very low | 147 Ų | 147 | 156.2 Ų | 156.2 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | 58.7 | 96.4 | 62.5 | -51.5 | 179.4 | 0 | 0 | 0 | 112.4 | |||||
| 528 | W | 39.4 | Very low | 39.7 | Very low | 234 Ų | 234 | 155.5 Ų | 155.5 | 89% | 0.886 | 81% | 0.809 | S | S | * | * | trans | -140.2 | 102.1 | 158.4 | -84.7 | 86.2 | 0 | 0 | 0 | 109.7 | ||||
| 529 | E | 41.7 | Very low | 40 | Very low | 170 Ų | 170 | 159.1 Ų | 159.1 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | -101.1 | 175.8 | 160.4 | -71 | -163.9 | 138.2 | 0 | 0 | 109.9 | ||||
| 530 | M | 38.3 | Very low | 40.2 | Very low | 163 Ų | 163 | 156.3 Ų | 156.3 | 80% | 0.803 | 81% | 0.814 | S | S | * | * | trans | 74.3 | 145.6 | 175.8 | -47.5 | -172.6 | 67.5 | 0 | 0 | 114.5 | ||||
| 531 | D | 40 | Very low | 40.5 | Very low | 147 Ų | 147 | 159.6 Ų | 159.6 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | cis | -142 | 170.1 | 10.4 | -137.7 | -24.6 | 0 | 0 | 0 | 113.3 | ||||
| 532 | G | 40.5 | Very low | 40.6 | Very low | 59 Ų | 59 | 159.2 Ų | 159.2 | 61% | 0.608 | 82% | 0.815 | S | S | * | * | trans | -109.1 | -157.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 533 | C | 37 | Very low | 40.8 | Very low | 129 Ų | 129 | 161.6 Ų | 161.6 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | trans | 72.4 | 151.4 | 179.6 | -119 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 534 | S | 40.6 | Very low | 41 | Very low | 106 Ų | 106 | 158.7 Ų | 158.7 | 74% | 0.741 | 82% | 0.822 | S | S | * | * | cis | -136.7 | 162.8 | 6.7 | -63.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 535 | L | 42.6 | Very low | 41 | Very low | 171 Ų | 171 | 158.6 Ų | 158.6 | 90% | 0.895 | 82% | 0.819 | S | S | * | * | trans | -66.9 | 153.5 | 163.1 | -68.3 | 85.3 | 0 | 0 | 0 | 111.8 | ||||
| 536 | K | 49.2 | Very low | 41.2 | Very low | 282 Ų | 282 | 161.9 Ų | 161.9 | 100% | 1.226 | 83% | 0.834 | S | S | * | * | trans | -155.7 | 0 | 140.2 | -116.5 | 172.6 | -174.5 | 174.4 | 0 | 111.1 |
Retrieved 536 of 536 residues in 180.5 ms
(Link to these results)