| 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 | 31.3 | Very low | 35.8 | Very low | 221 Ų | 221 | 148.8 Ų | 148.8 | 100% | 1.089 | 72% | 0.72 | S | S | * | * | 0 | 132.1 | 0 | -55.7 | 73.3 | 168.6 | 0 | 0 | 107.7 | |||||
| 2 | E | 35.3 | Very low | 35.7 | Very low | 148 Ų | 148 | 151.3 Ų | 151.3 | 69% | 0.692 | 73% | 0.729 | S | S | * | * | cis | -179.5 | 143.3 | -21 | -126 | 173.7 | 95.8 | 0 | 0 | 107.3 | ||||
| 3 | N | 36.3 | Very low | 35.2 | Very low | 113 Ų | 113 | 147.7 Ų | 147.7 | 60% | 0.604 | 73% | 0.729 | S | S | * | * | trans | 66.1 | 147.6 | 153.3 | -57.8 | -24.5 | 0 | 0 | 0 | 117.2 | ||||
| 4 | R | 36.6 | Very low | 35 | Very low | 190 Ų | 190 | 146.4 Ų | 146.4 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | cis | -161.4 | 160.2 | -4.2 | -118.1 | -176.3 | 136.2 | 101.9 | 15.9 | 111.1 | ||||
| 5 | D | 38.8 | Very low | 34.7 | Very low | 107 Ų | 107 | 147.3 Ų | 147.3 | 57% | 0.572 | 74% | 0.737 | S | S | * | * | 20.5 | 146 | 122.6 | -41.9 | 1.4 | 0 | 0 | 0 | 117.5 | |||||
| 6 | D | 38.6 | Very low | 34.4 | Very low | 128 Ų | 128 | 146.9 Ų | 146.9 | 68% | 0.684 | 74% | 0.744 | S | S | * | * | cis | -165.8 | -178.6 | 4.7 | -131.7 | -37.3 | 0 | 0 | 0 | 112.9 | ||||
| 7 | E | 39.4 | Very low | 34.3 | Very low | 159 Ų | 159 | 142.9 Ų | 142.9 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | trans | 25.6 | 168.2 | 143.2 | -78.6 | 178 | 168.7 | 0 | 0 | 123.4 | ||||
| 8 | T | 37.7 | Very low | 34.1 | Very low | 105 Ų | 105 | 146.1 Ų | 146.1 | 64% | 0.644 | 76% | 0.759 | S | S | * | * | cis | -158.3 | 148 | 6.5 | 4.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 9 | E | 36.1 | Very low | 33.9 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | 57.8 | 168.7 | 135.5 | -78.2 | -163.5 | 149.3 | 0 | 0 | 128.5 | ||||
| 10 | Q | 33.8 | Very low | 33.7 | Very low | 145 Ų | 145 | 138.8 Ų | 138.8 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | trans | 104.2 | 66.4 | 143.4 | -90.5 | 164.4 | 71.9 | 0 | 0 | 123.3 | ||||
| 11 | H | 30.3 | Very low | 33.4 | Very low | 171 Ų | 171 | 137.8 Ų | 137.8 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | 26.5 | 119.6 | 120.1 | -66.2 | -85.9 | 0 | 0 | 0 | 121.6 | |||||
| 12 | H | 34.5 | Very low | 33.4 | Very low | 179 Ų | 179 | 132.8 Ų | 132.8 | 83% | 0.829 | 74% | 0.744 | S | S | * | * | trans | -173.1 | 155.8 | 141.4 | 36.5 | -82.3 | 0 | 0 | 0 | 109.9 | ||||
| 13 | S | 29 | Very low | 33.1 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | cis | 157.7 | 147.6 | -29.6 | -94.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 14 | T | 32.6 | Very low | 32.9 | Very low | 130 Ų | 130 | 137.1 Ų | 137.1 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | trans | 67.1 | 137.7 | 164.3 | -61.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 15 | M | 30.9 | Very low | 32.8 | Very low | 160 Ų | 160 | 133.7 Ų | 133.7 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | cis | -152.4 | 153.2 | -15.4 | -113.8 | -179.6 | 179.8 | 0 | 0 | 108.1 | ||||
| 16 | V | 30.1 | Very low | 32.6 | Very low | 140 Ų | 140 | 134.8 Ų | 134.8 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | 41.9 | 123.4 | 95.6 | -173.3 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 17 | G | 31.5 | Very low | 32.8 | Very low | 79 Ų | 79 | 133.9 Ų | 133.9 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | trans | -174.9 | 135.1 | 168 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 18 | E | 31.4 | Very low | 33.1 | Very low | 200 Ų | 200 | 131.7 Ų | 131.7 | 94% | 0.935 | 78% | 0.777 | S | S | * | * | trans | -131 | 151 | -167.8 | -154.1 | -168.9 | 156.5 | 0 | 0 | 112.5 | ||||
| 19 | G | 30 | Very low | 33.2 | Very low | 80 Ų | 80 | 132.2 Ų | 132.2 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | 75.6 | 161.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 20 | G | 29.5 | Very low | 33.2 | Very low | 66 Ų | 66 | 134.9 Ų | 134.9 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | cis | 164.3 | 154.8 | -5.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 21 | S | 28.3 | Very low | 33.8 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | 64 | 156.3 | 176.8 | 88.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 22 | T | 30.3 | Very low | 34.4 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 71% | 0.712 | 81% | 0.81 | S | S | * | * | cis | -156.3 | 161.9 | -15.5 | 3.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 23 | E | 29.6 | Very low | 34.5 | Very low | 186 Ų | 186 | 136.7 Ų | 136.7 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | trans | 29.8 | 133.6 | 155.9 | -60.8 | -175.9 | 122.3 | 0 | 0 | 122.7 | ||||
| 24 | D | 31.9 | Very low | 35.8 | Very low | 166 Ų | 166 | 140.7 Ų | 140.7 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | -146.9 | 157.5 | 149 | -164.2 | 12 | 0 | 0 | 0 | 111.5 | ||||
| 25 | T | 34.1 | Very low | 36.5 | Very low | 117 Ų | 117 | 143.6 Ų | 143.6 | 72% | 0.718 | 81% | 0.813 | S | S | * | * | trans | -118.7 | 146 | -160.7 | -61.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 26 | T | 34.4 | Very low | 37.3 | Very low | 130 Ų | 130 | 141.6 Ų | 141.6 | 80% | 0.798 | 82% | 0.815 | S | S | * | * | trans | -43.2 | 129.6 | 178.2 | -66.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 27 | P | 43.5 | Very low | 38.3 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 71% | 0.714 | 81% | 0.807 | S | S | * | * | -155.6 | -162.3 | 89.9 | 40.5 | -17.6 | 0 | 0 | 0 | 115.2 | |||||
| 28 | P | 45.5 | Very low | 39.4 | Very low | 113 Ų | 113 | 143.6 Ų | 143.6 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | -123 | -137.2 | -70.7 | 42.9 | -26.6 | 0 | 0 | 0 | 112.8 | |||||
| 29 | P | 40.8 | Very low | 40.5 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | trans | -114.7 | 127.7 | -132.6 | 31.1 | -9.4 | 0 | 0 | 0 | 116.3 | R31 | P29-R31 PolarHBondContact O-N 3.3Š| ||
| 30 | K | 35.4 | Very low | 42 | Very low | 207 Ų | 207 | 142.5 Ų | 142.5 | 90% | 0.9 | 80% | 0.796 | S | S | * | * | trans | -83 | 115.2 | 174 | -76.8 | 179.5 | 178.2 | 171.6 | 0 | 113 | ||||
| 31 | R | 46.5 | Very low | 43.5 | Very low | 245 Ų | 245 | 145.7 Ų | 145.7 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | trans | -54.3 | 128.7 | 177 | -71.6 | 153.1 | 58.8 | -179.5 | -1.2 | 111.8 | P29 G33 | P29-R31 PolarHBondContact O-N 3.3Å; R31-G33 PolarHBondContact O-N 3.46Å | ||
| 32 | K | 42.4 | Very low | 44.5 | Very low | 213 Ų | 213 | 148.9 Ų | 148.9 | 93% | 0.926 | 80% | 0.796 | S | S | * | * | trans | -78 | 101.6 | -179.9 | -65.8 | -173.6 | 180 | 179.8 | 0 | 111.7 | ||||
| 33 | G | 37 | Very low | 45.8 | Very low | 75 Ų | 75 | 151.5 Ų | 151.5 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -76.3 | 127.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | R31 | R31-G33 PolarHBondContact O-N 3.46Š| ||
| 34 | K | 57.2 | Low | 46.9 | Very low | 187 Ų | 187 | 147.1 Ų | 147.1 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -51.7 | 137.7 | 163.1 | -56.1 | 142 | -173.4 | 179.8 | 0 | 107.2 | ||||
| 35 | F | 45.8 | Very low | 47.7 | Very low | 192 Ų | 192 | 149.6 Ų | 149.6 | 84% | 0.842 | 78% | 0.782 | S | S | * | * | cis | -145.9 | 138.1 | 48.8 | -57 | -94.5 | 0 | 0 | 0 | 112.6 | ||||
| 36 | S | 48.5 | Very low | 48.8 | Very low | 118 Ų | 118 | 152.3 Ų | 152.3 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -129.9 | 26.7 | 172.7 | -158.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 37 | T | 51.8 | Low | 49.5 | Very low | 111 Ų | 111 | 156.8 Ų | 156.8 | 68% | 0.681 | 79% | 0.786 | S | S | * | * | trans | -102.9 | -18.6 | -162.9 | -37.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 38 | I | 54.2 | Low | 50.1 | Low | 150 Ų | 150 | 162.8 Ų | 162.8 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -83.2 | -21.6 | -173 | -81.2 | 171.3 | 0 | 0 | 0 | 113.8 | K40 | I38-K40 PolarHBondContact O-N 3.17Š|
| 39 | G | 54.6 | Low | 50.4 | Low | 78 Ų | 78 | 162.1 Ų | 162.1 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 22.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 40 | K | 61.7 | Low | 51.4 | Low | 178 Ų | 178 | 164.5 Ų | 164.5 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.4 | -2.7 | -171.8 | -72.5 | -176 | 178.7 | 174.9 | 0 | 116.3 | I38 | I38-K40 PolarHBondContact O-N 3.17Š|
| 41 | I | 60 | Low | 52.2 | Low | 133 Ų | 133 | 163.6 Ų | 163.6 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -83.7 | -24.2 | -171.5 | -60 | 178.5 | 0 | 0 | 0 | 113 | ||
| 42 | F | 49 | Very low | 52.2 | Low | 187 Ų | 187 | 157.7 Ų | 157.7 | 82% | 0.82 | 77% | 0.771 | S | S | * | * | trans | -110.9 | 72 | 179 | -73.8 | -83.2 | 0 | 0 | 0 | 113.3 | ||||
| 43 | K | 57.9 | Low | 53 | Low | 170 Ų | 170 | 150.4 Ų | 150.4 | 74% | 0.739 | 75% | 0.747 | S | S | * | * | trans | -135.8 | 65.5 | 157.4 | -74.9 | -172.4 | 175.5 | 167.9 | 0 | 110.7 | W45 | K43-W45 PolarHBondContact O-N 2.86Š| ||
| 44 | P | 53.6 | Low | 54.1 | Low | 95 Ų | 95 | 154.9 Ų | 154.9 | 62% | 0.617 | 75% | 0.748 | S | S | * | * | trans | -55.6 | 138.4 | 168.7 | 25.6 | -33.2 | 0 | 0 | 0 | 110 | ||||
| 45 | W | 48.1 | Very low | 54.3 | Low | 217 Ų | 217 | 153.4 Ų | 153.4 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | trans | 60.2 | 65.5 | 162.7 | -61.3 | 54.8 | 0 | 0 | 0 | 116.1 | K43 W47 | K43-W45 PolarHBondContact O-N 2.86Å; W45-W47 HydrophobicContact CE3-CZ2 4.36Å; W45-W47 HydrophobicContact CZ3-CZ2 4.31Å | ||
| 46 | K | 57.9 | Low | 55.1 | Low | 175 Ų | 175 | 150.6 Ų | 150.6 | 76% | 0.761 | 73% | 0.729 | S | S | * | * | trans | -111.9 | 96.4 | 157.6 | -59.6 | -146.9 | 71.7 | 152.3 | 0 | 110.9 | R48 | K46-R48 PolarHBondContact O-N 3.39Š| ||
| 47 | W | 47.9 | Very low | 55.9 | Low | 223 Ų | 223 | 152.2 Ų | 152.2 | 85% | 0.845 | 72% | 0.721 | S | S | * | * | trans | -57.1 | 103 | 177.7 | -65.3 | 99 | 0 | 0 | 0 | 111.9 | W45 K49 | W45-W47 HydrophobicContact CE3-CZ2 4.36Å; W45-W47 HydrophobicContact CZ3-CZ2 4.31Å; W47-K49 PolarHBondContact O-N 2.88Å | ||
| 48 | R | 56.2 | Low | 56.7 | Low | 236 Ų | 236 | 152.2 Ų | 152.2 | 89% | 0.891 | 71% | 0.714 | S | S | * | * | trans | -87.5 | 92.8 | 179.2 | -154.9 | -178.4 | -158.3 | -121.9 | 5.1 | 108.9 | K46 K50 | K46-R48 PolarHBondContact O-N 3.39Å; R48-K50 PolarHBondContact O-N 2.98Å | ||
| 49 | K | 52.3 | Low | 57.6 | Low | 99 Ų | 99 | 148.5 Ų | 148.5 | 43% | 0.43 | 70% | 0.698 | S | S | . | * | trans | -39.7 | 108.2 | 175.3 | -176.8 | 174.4 | -179.6 | 178.3 | 0 | 110.2 | W47 Y99 K101 | W47-K49 PolarHBondContact O-N 2.88Å; K49-Y99 VanDerWaalsContact NZ-CE2 3.32Å; K49-K101 HydrophobicContact CB-CD 4.49Å; K49-K101 HydrophobicContact CD-CD 4Å; K49-K101 HydrophobicContact CD-CG 3.92Å | ||
| 50 | K | 60.3 | Low | 58.3 | Low | 166 Ų | 166 | 146.8 Ų | 146.8 | 72% | 0.722 | 67% | 0.674 | S | S | * | * | trans | -64.1 | 137.6 | 179.3 | -158.4 | 178.1 | -179.6 | -173.7 | 0 | 107.3 | R48 | R48-K50 PolarHBondContact O-N 2.98Š| ||
| 51 | K | 52.5 | Low | 58.4 | Low | 187 Ų | 187 | 142.3 Ų | 142.3 | 81% | 0.813 | 66% | 0.655 | S | S | * | * | trans | -65.5 | 141.5 | 164.6 | -71.9 | -170.6 | 174.6 | -170.8 | 0 | 107.2 | S53 | K51-S53 PolarHBondContact O-N 2.84Š| ||
| 52 | S | 46.8 | Very low | 58.8 | Low | 121 Ų | 121 | 140.2 Ų | 140.2 | 85% | 0.846 | 64% | 0.643 | S | S | * | * | trans | -58.7 | 109.2 | 168.5 | 43.3 | 0 | 0 | 0 | 0 | 107.9 | E54 | S52-E54 PolarHBondContact O-N 2.66Š| ||
| 53 | S | 59.9 | Low | 59.5 | Low | 60 Ų | 60 | 137 Ų | 137 | 42% | 0.42 | 63% | 0.633 | S | S | . | * | trans | -74.6 | 122.2 | 173.3 | 176.3 | 0 | 0 | 0 | 0 | 107.1 | K51 K55 F56 K57 | K51-S53 PolarHBondContact O-N 2.84Å; S53-K55 VanDerWaalsContact C-N 3.25Å; S53-K55 PolarHBondContact O-N 3.01Å; S53-F56 WeakPolarHBondContact O-CA 3.25Å; S53-F56 WeakPolarHBondContact O-CB 3.45Å; S53-F56 PolarHBondContact O-N 2.64Å; S53-K57 PolarHBondContact O-N 3.19Å | ||
| 54 | E | 59.9 | Low | 59.9 | Low | 169 Ų | 169 | 134 Ų | 134 | 79% | 0.79 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -51.3 | -49.4 | 173 | -172.5 | 166.7 | -153.3 | 0 | 0 | 110.2 | S52 F56 K57 E58 | S52-E54 PolarHBondContact O-N 2.66Å; E54-F56 PolarHBondContact O-N 3.43Å; E54-K57 WeakPolarHBondContact O-CA 3.23Å; E54-K57 WeakPolarHBondContact O-CB 3.13Å; E54-K57 PolarHBondContact O-N 2.87Å; E54-E58 WeakPolarHBondContact O-CB 3.44Å; E54-E58 PolarHBondContact O-N 3.26Å |
| 55 | K | 61.6 | Low | 60.6 | Low | 156 Ų | 156 | 136.7 Ų | 136.7 | 68% | 0.678 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -59.4 | -8.1 | 171.4 | -55.9 | -155.3 | 172.8 | -152.8 | 0 | 116.6 | S53 E58 T59 | S53-K55 VanDerWaalsContact C-N 3.25Å; S53-K55 PolarHBondContact O-N 3.01Å; K55-E58 WeakPolarHBondContact CA-OE2 3.21Å; K55-T59 WeakPolarHBondContact O-CG2 3.02Å; K55-T59 PolarHBondContact O-OG1 2.84Å; K55-T59 VanDerWaalsContact O-OG1 3.09Å |
| 56 | F | 62.6 | Low | 61.2 | Low | 134 Ų | 134 | 132 Ų | 132 | 59% | 0.588 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -96.7 | -29.1 | 172.4 | -163.7 | -87.9 | 0 | 0 | 0 | 111.4 | S53 E54 T59 S60 | S53-F56 WeakPolarHBondContact O-CA 3.25Å; S53-F56 WeakPolarHBondContact O-CB 3.45Å; S53-F56 PolarHBondContact O-N 2.64Å; E54-F56 PolarHBondContact O-N 3.43Å; F56-T59 VanDerWaalsContact CA-OG1 3.29Å; F56-T59 WeakPolarHBondContact CA-OG1 3.46Å; F56-T59 PolarHBondContact O-OG1 3.39Å; F56-S60 PolarHBondContact O-N 3.03Å |
| 57 | K | 65.8 | Low | 60.6 | Low | 151 Ų | 151 | 130.3 Ų | 130.3 | 66% | 0.657 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.7 | -46.5 | 170.9 | -139.2 | -167.3 | -179.5 | -147.3 | 0 | 110.2 | S53 E54 T59 S60 E61 | S53-K57 PolarHBondContact O-N 3.19Å; E54-K57 WeakPolarHBondContact O-CA 3.23Å; E54-K57 WeakPolarHBondContact O-CB 3.13Å; E54-K57 PolarHBondContact O-N 2.87Å; K57-T59 VanDerWaalsContact C-N 3.31Å; K57-T59 PolarHBondContact O-N 2.9Å; K57-S60 PolarHBondContact O-N 2.95Å; K57-S60 PolarHBondContact O-OG 3.44Å; K57-E61 WeakPolarHBondContact O-CB 3.43Å; K57-E61 PolarHBondContact O-N 3.01Å |
| 58 | E | 68.7 | Low | 60.7 | Low | 111 Ų | 111 | 123 Ų | 123 | 52% | 0.519 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -52.3 | -47.1 | 170 | -173.9 | -179.2 | -152.3 | 0 | 0 | 111.3 | E54 K55 E62 | E54-E58 WeakPolarHBondContact O-CB 3.44Å; E54-E58 PolarHBondContact O-N 3.26Å; K55-E58 WeakPolarHBondContact CA-OE2 3.21Å; E58-E62 WeakPolarHBondContact O-CB 3.46Å; E58-E62 PolarHBondContact O-N 3.02Å |
| 59 | T | 71.4 | Confident | 60.1 | Low | 73 Ų | 73 | 117.7 Ų | 117.7 | 45% | 0.448 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -72.4 | -26.2 | 176.2 | 56.3 | 0 | 0 | 0 | 0 | 114.5 | K55 F56 K57 L63 | K55-T59 WeakPolarHBondContact O-CG2 3.02Å; K55-T59 PolarHBondContact O-OG1 2.84Å; K55-T59 VanDerWaalsContact O-OG1 3.09Å; F56-T59 VanDerWaalsContact CA-OG1 3.29Å; F56-T59 WeakPolarHBondContact CA-OG1 3.46Å; F56-T59 PolarHBondContact O-OG1 3.39Å; K57-T59 VanDerWaalsContact C-N 3.31Å; K57-T59 PolarHBondContact O-N 2.9Å; T59-L63 VanDerWaalsContact O-CB 3.28Å; T59-L63 WeakPolarHBondContact O-CB 3.5Å; T59-L63 PolarHBondContact O-N 3.2Å |
| 60 | S | 69.3 | Low | 60.3 | Low | 41 Ų | 41 | 123.2 Ų | 123.2 | 29% | 0.287 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -74.5 | -42.1 | 174 | 65.1 | 0 | 0 | 0 | 0 | 110.4 | F56 K57 E62 L63 E64 | F56-S60 PolarHBondContact O-N 3.03Å; K57-S60 PolarHBondContact O-N 2.95Å; K57-S60 PolarHBondContact O-OG 3.44Å; S60-E62 VanDerWaalsContact C-N 3.34Å; S60-E62 PolarHBondContact O-N 3.17Å; S60-L63 CarbonylContact O-C 3.55Å; S60-L63 WeakPolarHBondContact O-CA 3.42Å; S60-L63 WeakPolarHBondContact O-CB 3.49Å; S60-L63 PolarHBondContact O-N 3.44Å; S60-E64 WeakPolarHBondContact O-CB 3.21Å; S60-E64 VanDerWaalsContact O-CG 3.29Å; S60-E64 WeakPolarHBondContact O-CG 3.18Å; S60-E64 PolarHBondContact O-N 3.05Å |
| 61 | E | 64.3 | Low | 60.5 | Low | 84 Ų | 84 | 121.4 Ų | 121.4 | 39% | 0.393 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.2 | -32.5 | 177.1 | -149.3 | -173.4 | 130.5 | 0 | 0 | 111.9 | K57 R65 | K57-E61 WeakPolarHBondContact O-CB 3.43Å; K57-E61 PolarHBondContact O-N 3.01Å; E61-R65 VanDerWaalsContact C-NH1 3.3Å; E61-R65 VanDerWaalsContact O-CG 3.3Å; E61-R65 WeakPolarHBondContact O-CG 3.5Å; E61-R65 PolarHBondContact O-N 2.92Å; E61-R65 VanDerWaalsContact O-N 3.12Å; E61-R65 PolarHBondContact O-NH1 3.12Å; E61-R65 VanDerWaalsContact O-NH1 3.11Å; E61-R65 IonicContact OE1-CZ 3.49Å; E61-R65 IonicContact OE1-NH1 2.91Å; E61-R65 PolarHBondContact OE1-NH1 3.26Å; E61-R65 IonicContact OE1-NH2 2.66Å; E61-R65 PolarHBondContact OE1-NH2 2.94Å |
| 62 | E | 69.4 | Low | 61.6 | Low | 90 Ų | 90 | 115 Ų | 115 | 42% | 0.421 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -78.2 | -26.4 | 169.2 | -160.3 | -177.1 | 167.9 | 0 | 0 | 112.6 | E58 S60 K66 | E58-E62 WeakPolarHBondContact O-CB 3.46Å; E58-E62 PolarHBondContact O-N 3.02Å; S60-E62 VanDerWaalsContact C-N 3.34Å; S60-E62 PolarHBondContact O-N 3.17Å; E62-K66 VanDerWaalsContact CD-NZ 3.34Å; E62-K66 HydrophobicContact CG-CD 4.33Å; E62-K66 WeakPolarHBondContact O-CB 3.33Å; E62-K66 VanDerWaalsContact O-CG 3.27Å; E62-K66 WeakPolarHBondContact O-CG 3.18Å; E62-K66 PolarHBondContact O-N 3.22Å; E62-K66 WeakPolarHBondContact OE1-CE 3.33Å; E62-K66 IonicContact OE1-NZ 3.64Å; E62-K66 PolarHBondContact OE1-NZ 3.43Å |
| 63 | L | 62.3 | Low | 62.5 | Low | 118 Ų | 118 | 115 Ų | 115 | 62% | 0.618 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.4 | -41.3 | 169.4 | -157.6 | 83 | 0 | 0 | 0 | 110.8 | T59 S60 K66 M67 | T59-L63 VanDerWaalsContact O-CB 3.28Å; T59-L63 WeakPolarHBondContact O-CB 3.5Å; T59-L63 PolarHBondContact O-N 3.2Å; S60-L63 CarbonylContact O-C 3.55Å; S60-L63 WeakPolarHBondContact O-CA 3.42Å; S60-L63 WeakPolarHBondContact O-CB 3.49Å; S60-L63 PolarHBondContact O-N 3.44Å; L63-K66 CarbonylContact O-C 3.49Å; L63-K66 WeakPolarHBondContact O-CA 3.3Å; L63-K66 PolarHBondContact O-N 2.73Å; L63-M67 WeakPolarHBondContact O-CG 3.41Å; L63-M67 PolarHBondContact O-N 3.4Å |
| 64 | E | 67.1 | Low | 62.9 | Low | 109 Ų | 109 | 117.9 Ų | 117.9 | 51% | 0.509 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.9 | -46.3 | 174.6 | -75 | 153.6 | -161.4 | 0 | 0 | 110.7 | S60 K66 M67 S68 | S60-E64 WeakPolarHBondContact O-CB 3.21Å; S60-E64 VanDerWaalsContact O-CG 3.29Å; S60-E64 WeakPolarHBondContact O-CG 3.18Å; S60-E64 PolarHBondContact O-N 3.05Å; E64-K66 VanDerWaalsContact C-N 3.25Å; E64-K66 PolarHBondContact O-N 2.75Å; E64-M67 HydrophobicContact CG-SD 4.41Å; E64-M67 WeakPolarHBondContact O-CG 3.48Å; E64-S68 PolarHBondContact O-N 2.84Å |
| 65 | R | 68.1 | Low | 63.7 | Low | 151 Ų | 151 | 113.3 Ų | 113.3 | 57% | 0.57 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.2 | -24.9 | 170.4 | -68.6 | 174.3 | -169.6 | 103.5 | -6 | 114.1 | E61 S68 | E61-R65 VanDerWaalsContact C-NH1 3.3Å; E61-R65 VanDerWaalsContact O-CG 3.3Å; E61-R65 WeakPolarHBondContact O-CG 3.5Å; E61-R65 PolarHBondContact O-N 2.92Å; E61-R65 VanDerWaalsContact O-N 3.12Å; E61-R65 PolarHBondContact O-NH1 3.12Å; E61-R65 VanDerWaalsContact O-NH1 3.11Å; E61-R65 IonicContact OE1-CZ 3.49Å; E61-R65 IonicContact OE1-NH1 2.91Å; E61-R65 PolarHBondContact OE1-NH1 3.26Å; E61-R65 IonicContact OE1-NH2 2.66Å; E61-R65 PolarHBondContact OE1-NH2 2.94Å; R65-S68 WeakPolarHBondContact O-CB 3.29Å |
| 66 | K | 61.6 | Low | 64.4 | Low | 119 Ų | 119 | 108.6 Ų | 108.6 | 52% | 0.517 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -92.7 | -26.6 | -179.9 | -76.1 | 173.2 | -176.1 | 169.7 | 0 | 114 | E62 L63 E64 T69 | E62-K66 VanDerWaalsContact CD-NZ 3.34Å; E62-K66 HydrophobicContact CG-CD 4.33Å; E62-K66 WeakPolarHBondContact O-CB 3.33Å; E62-K66 VanDerWaalsContact O-CG 3.27Å; E62-K66 WeakPolarHBondContact O-CG 3.18Å; E62-K66 PolarHBondContact O-N 3.22Å; E62-K66 WeakPolarHBondContact OE1-CE 3.33Å; E62-K66 IonicContact OE1-NZ 3.64Å; E62-K66 PolarHBondContact OE1-NZ 3.43Å; L63-K66 CarbonylContact O-C 3.49Å; L63-K66 WeakPolarHBondContact O-CA 3.3Å; L63-K66 PolarHBondContact O-N 2.73Å; E64-K66 VanDerWaalsContact C-N 3.25Å; E64-K66 PolarHBondContact O-N 2.75Å; K66-T69 WeakPolarHBondContact O-CB 3.13Å; K66-T69 PolarHBondContact O-N 3.18Å; K66-T69 PolarHBondContact O-OG1 3.45Å |
| 67 | M | 45.2 | Very low | 65.3 | Low | 138 Ų | 138 | 103.5 Ų | 103.5 | 68% | 0.68 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -70.1 | -23.4 | 166 | 59.4 | -167.4 | -81.8 | 0 | 0 | 111.6 | L63 E64 T69 R70 | L63-M67 WeakPolarHBondContact O-CG 3.41Å; L63-M67 PolarHBondContact O-N 3.4Å; E64-M67 HydrophobicContact CG-SD 4.41Å; E64-M67 WeakPolarHBondContact O-CG 3.48Å; M67-T69 PolarHBondContact O-N 3.11Å; M67-R70 PolarHBondContact O-N 2.89Å |
| 68 | S | 49.8 | Very low | 65.9 | Low | 69 Ų | 69 | 104.1 Ų | 104.1 | 48% | 0.483 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 6.4 | 166.2 | -164.4 | 0 | 0 | 0 | 0 | 115.1 | E64 R65 R70 | E64-S68 PolarHBondContact O-N 2.84Å; R65-S68 WeakPolarHBondContact O-CB 3.29Å; S68-R70 CarbonylContact C-O 3.59Å; S68-R70 PolarHBondContact O-N 3.12Å |
| 69 | T | 43.7 | Very low | 66.2 | Low | 125 Ų | 125 | 104.1 Ų | 104.1 | 77% | 0.767 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -1.9 | 166.6 | -33.6 | 0 | 0 | 0 | 0 | 112.2 | K66 M67 | K66-T69 WeakPolarHBondContact O-CB 3.13Å; K66-T69 PolarHBondContact O-N 3.18Å; K66-T69 PolarHBondContact O-OG1 3.45Å; M67-T69 PolarHBondContact O-N 3.11Å |
| 70 | R | 55.4 | Low | 66.2 | Low | 215 Ų | 215 | 103.8 Ų | 103.8 | 81% | 0.811 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -97.8 | 148.6 | 157.5 | -62.6 | -177.1 | 178 | -154 | -2.9 | 107.7 | M67 S68 T72 | M67-R70 PolarHBondContact O-N 2.89Å; S68-R70 CarbonylContact C-O 3.59Å; S68-R70 PolarHBondContact O-N 3.12Å; R70-T72 PolarHBondContact O-N 2.87Å |
| 71 | R | 66.1 | Low | 66.4 | Low | 128 Ų | 128 | 107.8 Ų | 107.8 | 48% | 0.483 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -46.7 | 138.1 | -178.5 | -79.6 | -168.9 | 177 | 154.4 | -7 | 111.6 | E75 L76 | R71-E75 WeakPolarHBondContact CA-OE2 3.38Å; R71-E75 HydrophobicContact CB-CB 4.19Å; R71-E75 HydrophobicContact CG-CB 4.44Å; R71-E75 IonicContact NE-OE1 2.76Å; R71-L76 HydrophobicContact CB-CD2 4.21Å; R71-L76 HydrophobicContact CB-CG 4.3Å |
| 72 | T | 74.9 | Confident | 66.2 | Low | 54 Ų | 54 | 107.4 Ų | 107.4 | 33% | 0.331 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 156.5 | -179.8 | 61.2 | 0 | 0 | 0 | 0 | 111 | R70 Q74 E75 L76 | R70-T72 PolarHBondContact O-N 2.87Å; T72-Q74 PolarHBondContact O-N 3.07Å; T72-E75 PolarHBondContact N-OE2 3.05Å; T72-E75 PolarHBondContact O-N 3.37Å; T72-E75 WeakPolarHBondContact OG1-CG 3.26Å; T72-E75 PolarHBondContact OG1-N 2.59Å; T72-E75 PolarHBondContact OG1-OE2 2.92Å; T72-L76 WeakPolarHBondContact O-CG 3.44Å; T72-L76 PolarHBondContact O-N 3.01Å; T72-L76 VanDerWaalsContact O-N 3.16Å |
| 73 | R | 66.3 | Low | 65.8 | Low | 119 Ų | 119 | 112 Ų | 112 | 45% | 0.449 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -52.2 | -38.9 | 172 | -173.7 | -169.1 | 174.8 | -162.3 | 3.9 | 111.1 | L76 I77 L82 D87 | R73-L76 PolarHBondContact O-N 3.09Å; R73-I77 HydrophobicContact CG-CD1 4.03Å; R73-I77 WeakPolarHBondContact O-CG1 3.38Å; R73-I77 PolarHBondContact O-N 3.27Å; R73-L82 HydrophobicContact CG-CD2 3.66Å; R73-D87 IonicContact CZ-OD2 3.89Å; R73-D87 IonicContact NH1-OD2 3.27Å; R73-D87 PolarHBondContact NH1-OD2 3.09Å; R73-D87 IonicContact NH2-OD2 2.69Å; R73-D87 PolarHBondContact NH2-OD2 3.36Å |
| 74 | Q | 67.1 | Low | 65.8 | Low | 121 Ų | 121 | 112.7 Ų | 112.7 | 57% | 0.565 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.2 | -49.2 | 179 | -144.2 | 70.6 | 16.8 | 0 | 0 | 112.3 | T72 L76 I77 E78 | T72-Q74 PolarHBondContact O-N 3.07Å; Q74-L76 PolarHBondContact O-N 3.37Å; Q74-I77 PolarHBondContact O-N 2.89Å; Q74-I77 VanDerWaalsContact O-N 3.12Å; Q74-E78 WeakPolarHBondContact O-CB 3.49Å; Q74-E78 PolarHBondContact O-N 2.88Å |
| 75 | E | 77.5 | Confident | 65.2 | Low | 73 Ų | 73 | 111.5 Ų | 111.5 | 34% | 0.341 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.1 | -32 | 176.1 | -74.5 | 168 | 96.3 | 0 | 0 | 112.9 | R71 T72 Q79 | R71-E75 WeakPolarHBondContact CA-OE2 3.38Å; R71-E75 HydrophobicContact CB-CB 4.19Å; R71-E75 HydrophobicContact CG-CB 4.44Å; R71-E75 IonicContact NE-OE1 2.76Å; T72-E75 PolarHBondContact N-OE2 3.05Å; T72-E75 PolarHBondContact O-N 3.37Å; T72-E75 WeakPolarHBondContact OG1-CG 3.26Å; T72-E75 PolarHBondContact OG1-N 2.59Å; T72-E75 PolarHBondContact OG1-OE2 2.92Å; E75-Q79 WeakPolarHBondContact O-CB 3.45Å; E75-Q79 WeakPolarHBondContact O-CG 3.45Å; E75-Q79 PolarHBondContact O-N 2.89Å |
| 76 | L | 75.9 | Confident | 64.2 | Low | 57 Ų | 57 | 110.2 Ų | 110.2 | 30% | 0.298 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -74.3 | -31.6 | 177 | -64.6 | 175.1 | 0 | 0 | 0 | 112.1 | R71 T72 R73 Q74 G80 L81 L82 | R71-L76 HydrophobicContact CB-CD2 4.21Å; R71-L76 HydrophobicContact CB-CG 4.3Å; T72-L76 WeakPolarHBondContact O-CG 3.44Å; T72-L76 PolarHBondContact O-N 3.01Å; T72-L76 VanDerWaalsContact O-N 3.16Å; R73-L76 PolarHBondContact O-N 3.09Å; Q74-L76 PolarHBondContact O-N 3.37Å; L76-G80 PolarHBondContact O-N 3.17Å; L76-L81 HydrophobicContact CD2-CB 4.44Å; L76-L81 HydrophobicContact CD2-CD1 4.2Å; L76-L81 PolarHBondContact O-N 2.65Å; L76-L82 HydrophobicContact CB-CB 3.93Å; L76-L82 HydrophobicContact CB-CD2 4.46Å; L76-L82 PolarHBondContact O-N 2.98Å |
| 77 | I | 81.2 | Confident | 63 | Low | 28 Ų | 28 | 109.3 Ų | 109.3 | 14% | 0.144 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -70.6 | -47.1 | 171.1 | -68.6 | 163.7 | 0 | 0 | 0 | 110.4 | R73 Q74 Q79 G80 L82 E84 | R73-I77 HydrophobicContact CG-CD1 4.03Å; R73-I77 WeakPolarHBondContact O-CG1 3.38Å; R73-I77 PolarHBondContact O-N 3.27Å; Q74-I77 PolarHBondContact O-N 2.89Å; Q74-I77 VanDerWaalsContact O-N 3.12Å; I77-Q79 VanDerWaalsContact C-N 3.26Å; I77-Q79 PolarHBondContact O-N 3.38Å; I77-G80 PolarHBondContact O-N 3.32Å; I77-L82 WeakPolarHBondContact CA-O 3.36Å; I77-L82 HydrophobicContact CG1-CB 4.13Å; I77-L82 HydrophobicContact CG1-CD2 4.21Å; I77-L82 HydrophobicContact CG1-CG 4.21Å; I77-E84 HydrophobicContact CG2-CB 3.82Å; I77-E84 HydrophobicContact CG2-CG 4.21Å |
| 78 | E | 78.4 | Confident | 62.3 | Low | 163 Ų | 163 | 110.4 Ų | 110.4 | 76% | 0.762 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63 | -30.1 | 179.5 | -169.9 | 175.4 | -163.2 | 0 | 0 | 112.8 | Q74 | Q74-E78 WeakPolarHBondContact O-CB 3.49Å; Q74-E78 PolarHBondContact O-N 2.88Å |
| 79 | Q | 75.2 | Confident | 61.5 | Low | 111 Ų | 111 | 114.7 Ų | 114.7 | 52% | 0.519 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.3 | 8.6 | 171.6 | -64.1 | -158.1 | -10.3 | 0 | 0 | 114.6 | E75 I77 L81 | E75-Q79 WeakPolarHBondContact O-CB 3.45Å; E75-Q79 WeakPolarHBondContact O-CG 3.45Å; E75-Q79 PolarHBondContact O-N 2.89Å; I77-Q79 VanDerWaalsContact C-N 3.26Å; I77-Q79 PolarHBondContact O-N 3.38Å; Q79-L81 HydrophobicContact CB-CD1 4.27Å; Q79-L81 HydrophobicContact CB-CG 4.42Å; Q79-L81 PolarHBondContact O-N 2.9Å; Q79-L81 VanDerWaalsContact O-N 3.14Å |
| 80 | G | 72.4 | Confident | 60.9 | Low | 66 Ų | 66 | 112.3 Ų | 112.3 | 68% | 0.68 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.1 | 10.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L76 I77 | L76-G80 PolarHBondContact O-N 3.17Å; I77-G80 PolarHBondContact O-N 3.32Å |
| 81 | L | 72.2 | Confident | 59.5 | Low | 126 Ų | 126 | 111.8 Ų | 111.8 | 66% | 0.66 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -84.2 | -12.9 | 179.8 | -67.5 | 170.1 | 0 | 0 | 0 | 112.7 | L76 Q79 | L76-L81 HydrophobicContact CD2-CB 4.44Å; L76-L81 HydrophobicContact CD2-CD1 4.2Å; L76-L81 PolarHBondContact O-N 2.65Å; Q79-L81 HydrophobicContact CB-CD1 4.27Å; Q79-L81 HydrophobicContact CB-CG 4.42Å; Q79-L81 PolarHBondContact O-N 2.9Å; Q79-L81 VanDerWaalsContact O-N 3.14Å |
| 82 | L | 59.7 | Low | 58 | Low | 76 Ų | 76 | 109.8 Ų | 109.8 | 40% | 0.398 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -138.8 | 134.8 | 176.1 | -175.2 | 63.9 | 0 | 0 | 0 | 109.2 | R73 L76 I77 | R73-L82 HydrophobicContact CG-CD2 3.66Å; L76-L82 HydrophobicContact CB-CB 3.93Å; L76-L82 HydrophobicContact CB-CD2 4.46Å; L76-L82 PolarHBondContact O-N 2.98Å; I77-L82 WeakPolarHBondContact CA-O 3.36Å; I77-L82 HydrophobicContact CG1-CB 4.13Å; I77-L82 HydrophobicContact CG1-CD2 4.21Å; I77-L82 HydrophobicContact CG1-CG 4.21Å |
| 83 | K | 62.4 | Low | 56 | Low | 185 Ų | 185 | 115.7 Ų | 115.7 | 80% | 0.804 | 62% | 0.622 | S | S | * | * | trans | -75.4 | 133.1 | 178.7 | -162.2 | 170.5 | -176.1 | 177.2 | 0 | 110.1 | ||||
| 84 | E | 61.3 | Low | 54.1 | Low | 134 Ų | 134 | 115.7 Ų | 115.7 | 63% | 0.626 | 63% | 0.631 | S | S | * | * | trans | -65.2 | 134.8 | 175 | -167.5 | 167 | -137.7 | 0 | 0 | 110.5 | I77 | I77-E84 HydrophobicContact CG2-CB 3.82Å; I77-E84 HydrophobicContact CG2-CG 4.21Å | ||
| 85 | V | 55.4 | Low | 52.3 | Low | 84 Ų | 84 | 115.3 Ų | 115.3 | 51% | 0.509 | 64% | 0.637 | S | S | . | * | trans | -127.3 | 124 | 173.4 | 178.5 | 0 | 0 | 0 | 0 | 106.2 | D87 | V85-D87 PolarHBondContact O-N 3.34Š| ||
| 86 | P | 46.1 | Very low | 50 | Low | 124 Ų | 124 | 120.8 Ų | 120.8 | 81% | 0.805 | 66% | 0.66 | S | S | * | * | trans | -78.1 | 87.9 | -172.2 | 30.7 | -35.4 | 0 | 0 | 0 | 111.8 | ||||
| 87 | D | 37.2 | Very low | 47.7 | Very low | 100 Ų | 100 | 127.7 Ų | 127.7 | 54% | 0.535 | 69% | 0.691 | S | S | . | * | trans | -79.8 | 115.7 | 168.6 | -56.9 | -59.7 | 0 | 0 | 0 | 109.5 | R73 V85 | R73-D87 IonicContact CZ-OD2 3.89Å; R73-D87 IonicContact NH1-OD2 3.27Å; R73-D87 PolarHBondContact NH1-OD2 3.09Å; R73-D87 IonicContact NH2-OD2 2.69Å; R73-D87 PolarHBondContact NH2-OD2 3.36Å; V85-D87 PolarHBondContact O-N 3.34Å | ||
| 88 | N | 30.1 | Very low | 45.2 | Very low | 161 Ų | 161 | 132 Ų | 132 | 86% | 0.861 | 72% | 0.723 | S | S | * | * | trans | -114.8 | 89.1 | -173.2 | -170.7 | -1.8 | 0 | 0 | 0 | 111.2 | ||||
| 89 | D | 32.2 | Very low | 42.7 | Very low | 159 Ų | 159 | 131.1 Ų | 131.1 | 85% | 0.85 | 71% | 0.714 | S | S | * | * | trans | -101.5 | 108.9 | -173.4 | -88.4 | -31.3 | 0 | 0 | 0 | 113.8 | ||||
| 90 | G | 32 | Very low | 40.5 | Very low | 75 Ų | 75 | 132.2 Ų | 132.2 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | 97.5 | 136.5 | 127.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 91 | E | 26.9 | Very low | 38.5 | Very low | 204 Ų | 204 | 133.7 Ų | 133.7 | 95% | 0.953 | 72% | 0.715 | S | S | * | * | trans | -143.9 | 160.5 | 130.9 | -143.1 | -178.1 | -144.5 | 0 | 0 | 109.8 | ||||
| 92 | A | 33.1 | Very low | 36.7 | Very low | 85 Ų | 85 | 134.1 Ų | 134.1 | 70% | 0.702 | 72% | 0.718 | S | S | * | * | trans | -155.6 | 165.6 | -163.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 93 | Q | 33.3 | Very low | 35.3 | Very low | 178 Ų | 178 | 133.8 Ų | 133.8 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | trans | 84.9 | 155 | 167.3 | -45.5 | -164 | 26.7 | 0 | 0 | 115.8 | ||||
| 94 | N | 26.8 | Very low | 33.9 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 64% | 0.642 | 74% | 0.738 | S | S | * | * | cis | -133.6 | 168.7 | 12.1 | -144.5 | -97.2 | 0 | 0 | 0 | 107.6 | ||||
| 95 | V | 28.8 | Very low | 32.4 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | -163.6 | 140.3 | 50.6 | 176.7 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 96 | K | 30.5 | Very low | 31.8 | Very low | 188 Ų | 188 | 138 Ų | 138 | 82% | 0.817 | 76% | 0.763 | S | S | * | * | trans | 19.3 | 126.8 | 159.4 | -57 | 166 | -178 | 167.1 | 0 | 120.6 | ||||
| 97 | Q | 27.2 | Very low | 31.5 | Very low | 202 Ų | 202 | 137.5 Ų | 137.5 | 94% | 0.944 | 76% | 0.76 | S | S | * | * | -146.2 | 176.7 | 125.1 | -121.2 | -170.6 | 45.2 | 0 | 0 | 113.2 | |||||
| 98 | S | 27.3 | Very low | 31 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -116.2 | 179.2 | -157 | 56.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 99 | Y | 25.7 | Very low | 30.9 | Very low | 145 Ų | 145 | 137.3 Ų | 137.3 | 57% | 0.569 | 77% | 0.773 | S | S | * | * | trans | -102.5 | 128.3 | -154.3 | 163.1 | -82.5 | 0 | 0 | 0 | 115.3 | K49 | K49-Y99 VanDerWaalsContact NZ-CE2 3.32Š| ||
| 100 | V | 30 | Very low | 30.6 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | trans | 179.1 | 166.3 | 138.8 | -91.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 101 | K | 30.6 | Very low | 30.4 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 43% | 0.426 | 78% | 0.775 | S | S | . | * | -173.1 | 131.9 | -50.6 | 165.5 | 175 | 171.9 | -175.3 | 0 | 111.5 | K49 | K49-K101 HydrophobicContact CB-CD 4.49Å; K49-K101 HydrophobicContact CD-CD 4Å; K49-K101 HydrophobicContact CD-CG 3.92Å | |||
| 102 | N | 33.7 | Very low | 30.8 | Very low | 134 Ų | 134 | 128.3 Ų | 128.3 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | trans | 72.5 | 153.2 | 179.3 | -49.9 | -18.8 | 0 | 0 | 0 | 113.5 | ||||
| 103 | G | 30.2 | Very low | 30.9 | Very low | 70 Ų | 70 | 128.3 Ų | 128.3 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | cis | 179.9 | 167.5 | -5.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 104 | H | 32.9 | Very low | 31 | Very low | 194 Ų | 194 | 124 Ų | 124 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | trans | -47.4 | 146.1 | -178.7 | -55.6 | -74.7 | 0 | 0 | 0 | 113.3 | ||||
| 105 | T | 29.5 | Very low | 31.3 | Very low | 131 Ų | 131 | 122.3 Ų | 122.3 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | cis | -145.6 | 170 | 47.2 | 47.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 106 | L | 44.2 | Very low | 31.5 | Very low | 165 Ų | 165 | 120.9 Ų | 120.9 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -61.7 | 149.7 | 165 | -58.9 | 176.5 | 0 | 0 | 0 | 110.4 | ||||
| 107 | P | 39.5 | Very low | 31.5 | Very low | 114 Ų | 114 | 116.1 Ų | 116.1 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | -152.7 | 179 | 82.4 | 42.1 | -23.6 | 0 | 0 | 0 | 117.3 | |||||
| 108 | V | 26.6 | Very low | 31.7 | Very low | 134 Ų | 134 | 110.4 Ų | 110.4 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | 72.8 | 111.1 | 143.8 | 155.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 109 | S | 27.4 | Very low | 31.7 | Very low | 123 Ų | 123 | 108 Ų | 108 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | 66.5 | 164.8 | 133.2 | -154.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 110 | G | 27.5 | Very low | 32 | Very low | 72 Ų | 72 | 107.5 Ų | 107.5 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | trans | 87.1 | 88.9 | 158.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 111 | G | 27.1 | Very low | 32 | Very low | 88 Ų | 88 | 109.2 Ų | 109.2 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | trans | -86.4 | -168.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 112 | G | 34.1 | Very low | 31.9 | Very low | 89 Ų | 89 | 110 Ų | 110 | 92% | 0.918 | 83% | 0.83 | S | S | * | * | trans | 129.6 | 131.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 113 | G | 35.1 | Very low | 31.6 | Very low | 86 Ų | 86 | 109.9 Ų | 109.9 | 89% | 0.887 | 84% | 0.839 | S | S | * | * | trans | 173.4 | 110.7 | 173 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 114 | G | 36.7 | Very low | 31.4 | Very low | 88 Ų | 88 | 110 Ų | 110 | 91% | 0.907 | 84% | 0.84 | S | S | * | * | trans | 112.7 | 119.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 115 | G | 33.2 | Very low | 31.2 | Very low | 83 Ų | 83 | 112.7 Ų | 112.7 | 86% | 0.856 | 84% | 0.842 | S | S | * | * | cis | -165.3 | -175.9 | -5.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 116 | G | 32.6 | Very low | 31.1 | Very low | 83 Ų | 83 | 111.4 Ų | 111.4 | 86% | 0.856 | 84% | 0.839 | S | S | * | * | cis | 165.9 | -178.7 | -2.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 117 | G | 31.2 | Very low | 31.3 | Very low | 88 Ų | 88 | 109.7 Ų | 109.7 | 91% | 0.907 | 84% | 0.838 | S | S | * | * | trans | 104.8 | 138.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 118 | G | 30.4 | Very low | 30.6 | Very low | 83 Ų | 83 | 107.3 Ų | 107.3 | 86% | 0.856 | 83% | 0.834 | S | S | * | * | trans | 108.8 | 96 | 146.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 119 | G | 28.6 | Very low | 30.7 | Very low | 66 Ų | 66 | 108.1 Ų | 108.1 | 68% | 0.68 | 83% | 0.833 | S | S | * | * | 98.9 | 106.3 | 120.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 120 | V | 30.9 | Very low | 30.7 | Very low | 135 Ų | 135 | 110.3 Ų | 110.3 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | 67.8 | 131.8 | 131.7 | -60.4 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 121 | I | 31 | Very low | 30.7 | Very low | 170 Ų | 170 | 112.8 Ų | 112.8 | 87% | 0.872 | 83% | 0.831 | S | S | * | * | trans | 68.7 | 133.2 | 151.4 | 63.7 | 168.6 | 0 | 0 | 0 | 123.6 | ||||
| 122 | S | 28.1 | Very low | 30.7 | Very low | 115 Ų | 115 | 117.8 Ų | 117.8 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -81.6 | 139.8 | -172.7 | -42.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 123 | S | 26.1 | Very low | 30.4 | Very low | 131 Ų | 131 | 121.1 Ų | 121.1 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | trans | 162.1 | 150.7 | 137.9 | -74.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 124 | G | 26.9 | Very low | 30.7 | Very low | 71 Ų | 71 | 123 Ų | 123 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | cis | 162.3 | 98.8 | -4.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 125 | R | 28.6 | Very low | 30.3 | Very low | 251 Ų | 251 | 122 Ų | 122 | 95% | 0.947 | 81% | 0.809 | S | S | * | * | trans | 61.9 | 138.8 | 159 | -152.2 | 169.8 | -172.7 | -117.6 | 6.3 | 119.7 | ||||
| 126 | S | 26.8 | Very low | 30 | Very low | 105 Ų | 105 | 126.8 Ų | 126.8 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | -62.1 | -179.8 | 175.5 | -23.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 127 | P | 48.7 | Very low | 30 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | cis | -142 | -172.9 | 3.1 | 42.9 | -24.5 | 0 | 0 | 0 | 116.4 | ||||
| 128 | G | 25.4 | Very low | 30 | Very low | 64 Ų | 64 | 130.4 Ų | 130.4 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | trans | 138.2 | 121.5 | 134.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 129 | N | 27.9 | Very low | 29.9 | Very low | 150 Ų | 150 | 136.4 Ų | 136.4 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | 66.5 | 125.4 | 132.3 | -67.1 | -8.8 | 0 | 0 | 0 | 125.4 | ||||
| 130 | Q | 27.6 | Very low | 30.1 | Very low | 169 Ų | 169 | 143 Ų | 143 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | 78.9 | 134.5 | 131.3 | -76.4 | -164.4 | 96.2 | 0 | 0 | 123.8 | ||||
| 131 | V | 27.8 | Very low | 30.1 | Very low | 125 Ų | 125 | 144 Ų | 144 | 76% | 0.758 | 80% | 0.802 | S | S | * | * | trans | 70.1 | 143.8 | 138.3 | 165.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 132 | K | 28.3 | Very low | 30.1 | Very low | 192 Ų | 192 | 144.4 Ų | 144.4 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | cis | -167.8 | 166.3 | -21.9 | -176 | 169.7 | -179.7 | 179.9 | 0 | 108.3 | ||||
| 133 | L | 26.4 | Very low | 31.3 | Very low | 160 Ų | 160 | 145.3 Ų | 145.3 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -56.1 | 166.3 | 170.2 | -65.6 | 172.7 | 0 | 0 | 0 | 113.2 | ||||
| 134 | P | 41.4 | Very low | 31.5 | Very low | 124 Ų | 124 | 142.5 Ų | 142.5 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | cis | -150.2 | -174.8 | 28.1 | 45.2 | -25 | 0 | 0 | 0 | 119.4 | ||||
| 135 | G | 28 | Very low | 31.5 | Very low | 67 Ų | 67 | 150.6 Ų | 150.6 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | trans | 90.9 | 158.4 | 145.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 136 | E | 26.7 | Very low | 31.6 | Very low | 185 Ų | 185 | 146.6 Ų | 146.6 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | cis | -153.9 | 161.9 | -11.7 | -64.2 | -161.9 | 124.5 | 0 | 0 | 111.9 | ||||
| 137 | S | 33 | Very low | 31.6 | Very low | 101 Ų | 101 | 146.1 Ų | 146.1 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | 45.8 | 125.3 | 151.6 | 63.7 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 138 | D | 31.1 | Very low | 30.6 | Very low | 146 Ų | 146 | 146.9 Ų | 146.9 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | trans | 10.8 | 141.9 | 139.8 | -62.5 | -85.9 | 0 | 0 | 0 | 123.2 | ||||
| 139 | F | 29.1 | Very low | 31.4 | Very low | 208 Ų | 208 | 149.3 Ų | 149.3 | 91% | 0.912 | 80% | 0.798 | S | S | * | * | -157.1 | 158.8 | 108.9 | -124.4 | -88.6 | 0 | 0 | 0 | 112.9 | |||||
| 140 | R | 32.8 | Very low | 31.3 | Very low | 204 Ų | 204 | 148.4 Ų | 148.4 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | -125.4 | 138.8 | -173.3 | 169.6 | -173.3 | -178.1 | 174 | 2.3 | 110.4 | ||||
| 141 | M | 29.6 | Very low | 31.6 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 78% | 0.778 | 78% | 0.782 | S | S | * | * | trans | -171.1 | 143.8 | 137.4 | -88.6 | -30.2 | 141.4 | 0 | 0 | 115.2 | ||||
| 142 | H | 31.9 | Very low | 32 | Very low | 178 Ų | 178 | 146.1 Ų | 146.1 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | -125.2 | 160 | 156.5 | -77.6 | -49.4 | 0 | 0 | 0 | 105.3 | ||||
| 143 | P | 53.2 | Low | 32.2 | Very low | 133 Ų | 133 | 147.2 Ų | 147.2 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | -154.6 | -157.7 | 50 | 42.9 | -19.9 | 0 | 0 | 0 | 115.2 | |||||
| 144 | G | 29.8 | Very low | 32.3 | Very low | 73 Ų | 73 | 143.2 Ų | 143.2 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | trans | 143 | 53.3 | 144.3 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 145 | R | 27.9 | Very low | 31.7 | Very low | 240 Ų | 240 | 148.6 Ų | 148.6 | 91% | 0.906 | 77% | 0.774 | S | S | * | * | trans | 13.7 | 126.8 | 148.7 | -77.8 | -174.4 | 177.4 | -171.8 | -0.3 | 122.7 | ||||
| 146 | L | 29.5 | Very low | 31.8 | Very low | 168 Ų | 168 | 149.7 Ų | 149.7 | 88% | 0.88 | 77% | 0.771 | S | S | * | * | 77 | 142.4 | 117.5 | -152.4 | 85.8 | 0 | 0 | 0 | 122.4 | |||||
| 147 | A | 27.8 | Very low | 32.9 | Very low | 95 Ų | 95 | 146.3 Ų | 146.3 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | 109.5 | 146.8 | 147.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 148 | Q | 28.5 | Very low | 32.9 | Very low | 144 Ų | 144 | 146.3 Ų | 146.3 | 67% | 0.673 | 77% | 0.766 | S | S | * | * | trans | -89.8 | 176 | 179.8 | -143.9 | -151.3 | 2.5 | 0 | 0 | 110.3 | E150 | Q148-E150 PolarHBondContact NE2-OE1 2.93Š| ||
| 149 | P | 42.1 | Very low | 32.9 | Very low | 115 Ų | 115 | 146.3 Ų | 146.3 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | -147.6 | -177.5 | 67.1 | 40.5 | -19.9 | 0 | 0 | 0 | 117.3 | |||||
| 150 | E | 25.6 | Very low | 33.1 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 62% | 0.617 | 76% | 0.757 | S | S | * | * | trans | -39.7 | 176.2 | 160.8 | -51.8 | -63.6 | 144.3 | 0 | 0 | 116 | Q148 | Q148-E150 PolarHBondContact NE2-OE1 2.93Š| ||
| 151 | D | 33.4 | Very low | 33.1 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 64% | 0.642 | 75% | 0.751 | S | S | * | * | cis | -170.3 | 176.9 | 26.6 | -151.6 | -39.1 | 0 | 0 | 0 | 113.5 | ||||
| 152 | H | 36.1 | Very low | 33.2 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 58% | 0.579 | 74% | 0.744 | S | S | * | * | trans | 94.5 | 106.6 | 147.7 | -60.7 | -16.2 | 0 | 0 | 0 | 123.1 | ||||
| 153 | R | 33.3 | Very low | 33.2 | Very low | 216 Ų | 216 | 138.3 Ų | 138.3 | 82% | 0.815 | 75% | 0.745 | S | S | * | * | trans | 60.5 | 134.2 | 135.9 | -81.4 | 169.1 | -93.2 | -108.8 | -6.6 | 121.4 | ||||
| 154 | G | 27.1 | Very low | 32.3 | Very low | 76 Ų | 76 | 135.9 Ų | 135.9 | 78% | 0.784 | 74% | 0.743 | S | S | * | * | cis | 130.1 | 154.2 | -12 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 155 | R | 28.4 | Very low | 32 | Very low | 236 Ų | 236 | 136.8 Ų | 136.8 | 89% | 0.891 | 74% | 0.744 | S | S | * | * | trans | -164.7 | 144.5 | 159.9 | -143.8 | -175.8 | -170.5 | -90.3 | 5.5 | 114.9 | ||||
| 156 | S | 31.2 | Very low | 32 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 63% | 0.629 | 74% | 0.742 | S | S | * | * | trans | 74.6 | 147.4 | 157.1 | -74.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 157 | P | 49.8 | Very low | 31.9 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | -147.4 | 174.6 | -126.9 | 45.3 | -26.7 | 0 | 0 | 0 | 119.4 | |||||
| 158 | S | 32 | Very low | 31.9 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | trans | 58.7 | 140.7 | 135.2 | -171.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 159 | D | 31.7 | Very low | 31.9 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | cis | -157.2 | 151.8 | -16.2 | -106.8 | -80.6 | 0 | 0 | 0 | 105.9 | ||||
| 160 | G | 32.8 | Very low | 31.1 | Very low | 71 Ų | 71 | 135.1 Ų | 135.1 | 73% | 0.732 | 75% | 0.751 | S | S | * | * | 82.6 | 140 | 81.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 161 | D | 33.2 | Very low | 31.3 | Very low | 119 Ų | 119 | 136 Ų | 136 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | cis | -171.3 | 166.5 | -2.1 | 177.6 | 20.4 | 0 | 0 | 0 | 108.7 | ||||
| 162 | R | 32.4 | Very low | 31.1 | Very low | 169 Ų | 169 | 133.7 Ų | 133.7 | 64% | 0.638 | 77% | 0.77 | S | S | * | * | trans | 85.1 | 129.6 | 156.5 | -46.7 | -166 | -178.7 | -119.7 | -34.1 | 124.1 | ||||
| 163 | R | 31.5 | Very low | 31 | Very low | 222 Ų | 222 | 135.9 Ų | 135.9 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | 69.4 | 146.8 | 134.2 | -80.1 | -172.5 | -94.1 | -114.8 | 13.1 | 120.7 | ||||
| 164 | G | 33.4 | Very low | 30.7 | Very low | 81 Ų | 81 | 134.2 Ų | 134.2 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | 162.7 | 132.6 | 152.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 165 | A | 25.4 | Very low | 30.8 | Very low | 92 Ų | 92 | 138.5 Ų | 138.5 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | trans | -139.4 | 168.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 166 | L | 27.3 | Very low | 31.1 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | 66.7 | 122 | 177 | -52.4 | 169.3 | 0 | 0 | 0 | 116.3 | ||||
| 167 | C | 27.5 | Very low | 31.3 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 91% | 0.905 | 79% | 0.785 | S | S | * | * | -171.1 | 162.3 | 101.1 | -112.2 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 168 | S | 28.1 | Very low | 30.3 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -107 | 174.2 | -171.5 | -45.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 169 | R | 27.3 | Very low | 30.6 | Very low | 253 Ų | 253 | 144.5 Ų | 144.5 | 96% | 0.955 | 79% | 0.791 | S | S | * | * | trans | 78.3 | 126.8 | 152.9 | -177.9 | -168.6 | -82.4 | -157.7 | -5.1 | 117.5 | ||||
| 170 | G | 26.5 | Very low | 30.7 | Very low | 59 Ų | 59 | 143.1 Ų | 143.1 | 61% | 0.608 | 79% | 0.792 | S | S | * | * | trans | 131.7 | 86.4 | 136.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 171 | T | 29.9 | Very low | 30.7 | Very low | 150 Ų | 150 | 143.8 Ų | 143.8 | 92% | 0.92 | 80% | 0.8 | S | S | * | * | trans | 22.7 | 114.8 | 130.7 | 54.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 172 | G | 28.4 | Very low | 30.7 | Very low | 72 Ų | 72 | 141.6 Ų | 141.6 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | trans | 164.6 | 102.2 | 157.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 173 | L | 33 | Very low | 30.8 | Very low | 170 Ų | 170 | 142.6 Ų | 142.6 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | trans | 50.1 | 124.8 | 147.9 | -93.6 | 65.2 | 0 | 0 | 0 | 122 | ||||
| 174 | H | 27.7 | Very low | 30.8 | Very low | 181 Ų | 181 | 135.4 Ų | 135.4 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | 77.4 | 147.7 | 129.4 | -150 | -87.3 | 0 | 0 | 0 | 119.7 | |||||
| 175 | E | 30.1 | Very low | 31.9 | Very low | 166 Ų | 166 | 137.6 Ų | 137.6 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | -71.9 | 142.5 | 169.4 | -87.5 | -156.3 | 95.4 | 0 | 0 | 112 | ||||
| 176 | E | 34.5 | Very low | 32.3 | Very low | 192 Ų | 192 | 141.5 Ų | 141.5 | 90% | 0.897 | 82% | 0.819 | S | S | * | * | -167.2 | 131 | 110.8 | 52.2 | -177.7 | 174.5 | 0 | 0 | 113.3 | |||||
| 177 | G | 34.3 | Very low | 32.3 | Very low | 59 Ų | 59 | 139.7 Ų | 139.7 | 61% | 0.608 | 82% | 0.815 | S | S | * | * | trans | 103.4 | 98.2 | 140.7 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 178 | W | 29.3 | Very low | 32.4 | Very low | 219 Ų | 219 | 142.2 Ų | 142.2 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | trans | 55 | 116.1 | 132.7 | -59.1 | 98.7 | 0 | 0 | 0 | 123.5 | ||||
| 179 | R | 38.7 | Very low | 32.4 | Very low | 199 Ų | 199 | 139.4 Ų | 139.4 | 75% | 0.751 | 80% | 0.802 | S | S | * | * | trans | 90.9 | 124.8 | 132.7 | -69.6 | 177.8 | -169.7 | -78.7 | -0.3 | 123.8 | ||||
| 180 | S | 33.9 | Very low | 32.4 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | 86.1 | 97.3 | 132.7 | -63.2 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 181 | G | 33.3 | Very low | 32.5 | Very low | 86 Ų | 86 | 139.5 Ų | 139.5 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | 98 | 116.7 | 108.1 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 182 | G | 31.7 | Very low | 32.7 | Very low | 73 Ų | 73 | 138.4 Ų | 138.4 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | 114.8 | 109.2 | 135.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 183 | L | 34.6 | Very low | 32.6 | Very low | 190 Ų | 190 | 144.4 Ų | 144.4 | 100% | 0.995 | 80% | 0.795 | S | S | * | * | trans | 57.6 | 143.6 | 147.9 | -64.1 | 161.2 | 0 | 0 | 0 | 121.4 | ||||
| 184 | G | 31.9 | Very low | 32.4 | Very low | 71 Ų | 71 | 143.4 Ų | 143.4 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | -100.3 | -150.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 185 | P | 56.2 | Low | 32.4 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | cis | -143.2 | 167.9 | 5.8 | 43.5 | -24.9 | 0 | 0 | 0 | 119.1 | ||||
| 186 | H | 34.2 | Very low | 32.4 | Very low | 174 Ų | 174 | 139.1 Ų | 139.1 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | trans | 41.9 | 128.8 | 142.6 | -162.9 | -86.1 | 0 | 0 | 0 | 124.7 | ||||
| 187 | V | 27.9 | Very low | 32.3 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | trans | -178.3 | 150.6 | 135.6 | 138.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 188 | H | 28.8 | Very low | 32.3 | Very low | 186 Ų | 186 | 139.5 Ų | 139.5 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -19.8 | 157.5 | 158.4 | -124.9 | 23.8 | 0 | 0 | 0 | 118.7 | ||||
| 189 | G | 28.2 | Very low | 32.2 | Very low | 56 Ų | 56 | 141.3 Ų | 141.3 | 58% | 0.577 | 79% | 0.793 | S | S | * | * | cis | 169.9 | -161.3 | 3.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 190 | E | 27.2 | Very low | 31.8 | Very low | 198 Ų | 198 | 140.7 Ų | 140.7 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | trans | 76.7 | 171.3 | 163.5 | 97.9 | -170.9 | 131.9 | 0 | 0 | 123.4 | ||||
| 191 | S | 29.5 | Very low | 31.5 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -145 | -173 | -165.9 | -56.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 192 | E | 32.2 | Very low | 31.4 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 60% | 0.598 | 79% | 0.794 | S | S | * | * | cis | -154.8 | -149.5 | 12.1 | -165.2 | -114.7 | 103.5 | 0 | 0 | 108.3 | K194 | E192-K194 WeakPolarHBondContact OE1-CE 3.5Å; E192-K194 IonicContact OE1-NZ 2.62Å; E192-K194 IonicContact OE2-NZ 2.66Å; E192-K194 PolarHBondContact OE2-NZ 2.72Å | ||
| 193 | W | 27.1 | Very low | 31.2 | Very low | 197 Ų | 197 | 147.6 Ų | 147.6 | 75% | 0.746 | 80% | 0.798 | S | S | * | * | trans | 94.6 | 88.2 | 153.3 | -55.2 | -21.5 | 0 | 0 | 0 | 122.1 | ||||
| 194 | K | 29.4 | Very low | 30.8 | Very low | 150 Ų | 150 | 147.9 Ų | 147.9 | 65% | 0.652 | 79% | 0.793 | S | S | * | * | 71.6 | 163.2 | 109.3 | -71.4 | 158 | -168.1 | 154.2 | 0 | 122.8 | E192 | E192-K194 WeakPolarHBondContact OE1-CE 3.5Å; E192-K194 IonicContact OE1-NZ 2.62Å; E192-K194 IonicContact OE2-NZ 2.66Å; E192-K194 PolarHBondContact OE2-NZ 2.72Å | |||
| 195 | S | 28.1 | Very low | 30.5 | Very low | 103 Ų | 103 | 148.2 Ų | 148.2 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | 87 | 142.2 | 168.5 | 86.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 196 | N | 28.3 | Very low | 29.1 | Very low | 153 Ų | 153 | 150.8 Ų | 150.8 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | cis | -137.9 | 169.3 | 8.7 | -93.4 | -59.7 | 0 | 0 | 0 | 113.6 | ||||
| 197 | L | 34.1 | Very low | 29.1 | Very low | 171 Ų | 171 | 151.3 Ų | 151.3 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | trans | -82.6 | 151.6 | 167.1 | -82.1 | 63 | 0 | 0 | 0 | 111.4 | ||||
| 198 | A | 32.6 | Very low | 29.2 | Very low | 88 Ų | 88 | 151.4 Ų | 151.4 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | 158.2 | 130.4 | 116.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 199 | W | 28 | Very low | 29.3 | Very low | 258 Ų | 258 | 150.3 Ų | 150.3 | 98% | 0.977 | 78% | 0.782 | S | S | * | * | trans | -169.6 | 169.3 | 130.6 | -95.2 | 108.7 | 0 | 0 | 0 | 108.3 | ||||
| 200 | Q | 31.3 | Very low | 29.4 | Very low | 185 Ų | 185 | 151.1 Ų | 151.1 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | -143.6 | 145.3 | -145.4 | -172.9 | 179 | 26.4 | 0 | 0 | 115.4 | ||||
| 201 | G | 27.3 | Very low | 29.6 | Very low | 71 Ų | 71 | 151.1 Ų | 151.1 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | trans | 88.9 | 112.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 202 | Q | 31 | Very low | 29.6 | Very low | 188 Ų | 188 | 154.7 Ų | 154.7 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | cis | 82.7 | 82.5 | 23.5 | -164.3 | -179.6 | -21.7 | 0 | 0 | 116.6 | ||||
| 203 | I | 27.6 | Very low | 29.4 | Very low | 161 Ų | 161 | 152.7 Ų | 152.7 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | -166.3 | 118 | 125.9 | 32.8 | 177.4 | 0 | 0 | 0 | 112.9 | |||||
| 204 | H | 25.8 | Very low | 29.5 | Very low | 195 Ų | 195 | 147 Ų | 147 | 90% | 0.903 | 79% | 0.794 | S | S | * | * | trans | 52.1 | 164.8 | 147.4 | -139 | 72.2 | 0 | 0 | 0 | 123.2 | ||||
| 205 | A | 25.2 | Very low | 29.4 | Very low | 79 Ų | 79 | 150.5 Ų | 150.5 | 65% | 0.653 | 80% | 0.803 | S | S | * | * | trans | 77.4 | 96.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 206 | Q | 27.9 | Very low | 29.3 | Very low | 181 Ų | 181 | 152 Ų | 152 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | 0.1 | 133.5 | 122.9 | -162.4 | -169 | 10.3 | 0 | 0 | 119.2 | |||||
| 207 | K | 32.6 | Very low | 29.3 | Very low | 184 Ų | 184 | 153.1 Ų | 153.1 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | 72.6 | -179 | 158.1 | -131.6 | -175 | 178.3 | -176.7 | 0 | 118.4 | ||||
| 208 | D | 30.9 | Very low | 30.2 | Very low | 132 Ų | 132 | 149.3 Ų | 149.3 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | 77.8 | 155.3 | 165.8 | -79 | -60.5 | 0 | 0 | 0 | 119.3 | ||||
| 209 | E | 32.1 | Very low | 30 | Very low | 162 Ų | 162 | 152.1 Ų | 152.1 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | cis | -135.3 | 144.4 | 3.2 | -159.7 | 170.1 | 170.2 | 0 | 0 | 114.7 | ||||
| 210 | G | 30.1 | Very low | 30 | Very low | 74 Ų | 74 | 146.7 Ų | 146.7 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -124.5 | 19.8 | -178 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 211 | R | 31.5 | Very low | 30 | Very low | 198 Ų | 198 | 140.3 Ų | 140.3 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | trans | 75.8 | 108.9 | 176.2 | -62.2 | -174.6 | 176.5 | -143.5 | -0.9 | 119.7 | ||||
| 212 | R | 29.1 | Very low | 29.9 | Very low | 191 Ų | 191 | 145.2 Ų | 145.2 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | 69.6 | 108.9 | 126.9 | -56.9 | -177.5 | -160.1 | -65.7 | -1.4 | 121.5 | |||||
| 213 | G | 28.4 | Very low | 29.9 | Very low | 86 Ų | 86 | 147.7 Ų | 147.7 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | trans | 79.4 | 153.9 | 144.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 214 | G | 27.9 | Very low | 29.9 | Very low | 77 Ų | 77 | 151.3 Ų | 151.3 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | cis | 144.6 | 107.8 | -3.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 215 | R | 28.1 | Very low | 31.2 | Very low | 223 Ų | 223 | 148.1 Ų | 148.1 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | 122.2 | 140 | 64.5 | -167.5 | -164.9 | -152.8 | -96.2 | 2.5 | 106.5 | |||||
| 216 | L | 26 | Very low | 31.2 | Very low | 135 Ų | 135 | 147.8 Ų | 147.8 | 71% | 0.707 | 77% | 0.774 | S | S | * | * | trans | 95.2 | 99.6 | 167 | -55.4 | 177.5 | 0 | 0 | 0 | 120.3 | ||||
| 217 | H | 28.1 | Very low | 31.2 | Very low | 176 Ų | 176 | 146.3 Ų | 146.3 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | 77.1 | -172.5 | 128.9 | -133.5 | -36.4 | 0 | 0 | 0 | 118.9 | |||||
| 218 | P | 51.8 | Low | 31 | Very low | 92 Ų | 92 | 144.4 Ų | 144.4 | 60% | 0.597 | 77% | 0.765 | S | S | * | * | -86.4 | -168.9 | -127.7 | 41.8 | -29.6 | 0 | 0 | 0 | 113.6 | |||||
| 219 | D | 29.4 | Very low | 30.9 | Very low | 147 Ų | 147 | 146.4 Ų | 146.4 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | cis | -178.4 | 168.8 | 46.4 | -143.1 | -115.3 | 0 | 0 | 0 | 107.6 | ||||
| 220 | D | 28.7 | Very low | 30.9 | Very low | 144 Ų | 144 | 142.9 Ų | 142.9 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | cis | -168.5 | 179.7 | -47.4 | -156.3 | -44.8 | 0 | 0 | 0 | 106 | ||||
| 221 | G | 29.9 | Very low | 31.3 | Very low | 51 Ų | 51 | 144.9 Ų | 144.9 | 53% | 0.526 | 77% | 0.765 | S | S | . | * | trans | 82.2 | 93.2 | 137 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 222 | Q | 26.4 | Very low | 31.1 | Very low | 174 Ų | 174 | 140.5 Ų | 140.5 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | 60.2 | 117 | 124.3 | -62.9 | -93.7 | 8.3 | 0 | 0 | 121.1 | |||||
| 223 | R | 30.4 | Very low | 31.2 | Very low | 239 Ų | 239 | 139.8 Ų | 139.8 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | 177.9 | 152.9 | 114.4 | -93.1 | 150.3 | -154.8 | -89.2 | 0.5 | 115.1 | |||||
| 224 | R | 28.4 | Very low | 31.2 | Very low | 238 Ų | 238 | 141.7 Ų | 141.7 | 90% | 0.898 | 76% | 0.759 | S | S | * | * | trans | -92.5 | -171.6 | 162 | -62.9 | 171.1 | 157.5 | 176.7 | -7.4 | 109.5 | ||||
| 225 | P | 51.8 | Low | 31.4 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | -126.4 | 178.1 | -72.8 | 39.5 | -24.1 | 0 | 0 | 0 | 112.3 | |||||
| 226 | G | 26.7 | Very low | 31.6 | Very low | 72 Ų | 72 | 139.6 Ų | 139.6 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | trans | -160.7 | 110.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 227 | L | 27.2 | Very low | 31.9 | Very low | 150 Ų | 150 | 144 Ų | 144 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | cis | 89.4 | 125.6 | 45.6 | -168 | 91.9 | 0 | 0 | 0 | 111.9 | ||||
| 228 | Q | 27.8 | Very low | 32.1 | Very low | 143 Ų | 143 | 146.8 Ų | 146.8 | 67% | 0.668 | 76% | 0.759 | S | S | * | * | trans | 75.4 | 146 | 177.8 | -42.8 | -165.4 | 46.1 | 0 | 0 | 114.2 | ||||
| 229 | K | 28.3 | Very low | 31.7 | Very low | 175 Ų | 175 | 147.9 Ų | 147.9 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | cis | -163.3 | 150 | -11 | -120 | 171.5 | -170.4 | 157 | 0 | 110 | ||||
| 230 | A | 33.2 | Very low | 31.7 | Very low | 87 Ų | 87 | 144.9 Ų | 144.9 | 72% | 0.719 | 76% | 0.761 | S | S | * | * | trans | -78.9 | 158.9 | 147.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 231 | P | 37.6 | Very low | 31.7 | Very low | 117 Ų | 117 | 147 Ų | 147 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | -156.5 | -171.8 | 62.1 | 42.7 | -21.6 | 0 | 0 | 0 | 116.8 | |||||
| 232 | S | 28.5 | Very low | 31.9 | Very low | 106 Ų | 106 | 148.9 Ų | 148.9 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | trans | 60.4 | 151.4 | 144.6 | -111.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 233 | E | 31.2 | Very low | 32.1 | Very low | 176 Ų | 176 | 148.2 Ų | 148.2 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | cis | -124.4 | 149.4 | 5.8 | -53 | -178.4 | 101.8 | 0 | 0 | 108.8 | ||||
| 234 | D | 28.8 | Very low | 32 | Very low | 125 Ų | 125 | 147.9 Ų | 147.9 | 67% | 0.668 | 77% | 0.773 | S | S | * | * | 45.6 | 130.8 | 64.4 | -158.9 | 9.2 | 0 | 0 | 0 | 113.9 | |||||
| 235 | G | 30.8 | Very low | 32.3 | Very low | 66 Ų | 66 | 145.7 Ų | 145.7 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | trans | -170.8 | -28.3 | -165.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 236 | R | 32.3 | Very low | 31.8 | Very low | 191 Ų | 191 | 145.7 Ų | 145.7 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | trans | 60 | 129.7 | 163.8 | -83.7 | -171 | -80.7 | -103.5 | -3.2 | 120.8 | ||||
| 237 | R | 33 | Very low | 32 | Very low | 228 Ų | 228 | 149 Ų | 149 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | 112.7 | 104.5 | 145.7 | -67.1 | 165.3 | -155.5 | -92.6 | 6.1 | 119.4 | ||||
| 238 | R | 32.6 | Very low | 32.2 | Very low | 233 Ų | 233 | 149.1 Ų | 149.1 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | trans | -34.7 | 162.5 | 138.8 | -88.7 | -163.7 | -64.8 | 156.1 | -3.7 | 114.9 | ||||
| 239 | P | 42.4 | Very low | 32.9 | Very low | 115 Ų | 115 | 148.5 Ų | 148.5 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | cis | -152 | -173.1 | 45.8 | 44 | -23.5 | 0 | 0 | 0 | 119.9 | ||||
| 240 | A | 29.7 | Very low | 33.1 | Very low | 84 Ų | 84 | 151 Ų | 151 | 69% | 0.694 | 79% | 0.79 | S | S | * | * | trans | 83.1 | 136.1 | 141.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 241 | E | 28.2 | Very low | 33.1 | Very low | 188 Ų | 188 | 156.1 Ų | 156.1 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | cis | -148.5 | 177.8 | -14.2 | -63 | -146.2 | 122 | 0 | 0 | 110.8 | ||||
| 242 | A | 34.6 | Very low | 32.9 | Very low | 91 Ų | 91 | 154.4 Ų | 154.4 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | 60 | 116.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 243 | E | 31.4 | Very low | 33 | Very low | 160 Ų | 160 | 155.2 Ų | 155.2 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | cis | 84.5 | 124.7 | 33.7 | -55.5 | -143.5 | 150.1 | 0 | 0 | 116.5 | ||||
| 244 | W | 28.5 | Very low | 33.2 | Very low | 233 Ų | 233 | 151.1 Ų | 151.1 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | cis | -163 | -172.6 | -18.3 | -122.3 | 32.2 | 0 | 0 | 0 | 110.5 | ||||
| 245 | K | 34.4 | Very low | 33.5 | Very low | 192 Ų | 192 | 154.3 Ų | 154.3 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | -76.3 | 158.8 | -176.7 | -81.3 | 177.5 | 178.2 | 176.5 | 0 | 114.4 | ||||
| 246 | P | 41.1 | Very low | 33.6 | Very low | 127 Ų | 127 | 159.4 Ų | 159.4 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -74.7 | 158 | -170.4 | 30.7 | -38 | 0 | 0 | 0 | 114.8 | ||||
| 247 | T | 30.3 | Very low | 33.6 | Very low | 141 Ų | 141 | 153.6 Ų | 153.6 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | trans | -154.2 | 149.4 | 173.6 | -76.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 248 | L | 31.8 | Very low | 33.5 | Very low | 154 Ų | 154 | 152.6 Ų | 152.6 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | trans | -81.3 | 148.1 | -179.8 | -70.3 | 162.5 | 0 | 0 | 0 | 113.3 | ||||
| 249 | P | 42.2 | Very low | 33.5 | Very low | 129 Ų | 129 | 147.8 Ų | 147.8 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | trans | -68.4 | 152.2 | 166.6 | -17.8 | 32.1 | 0 | 0 | 0 | 113.4 | ||||
| 250 | R | 33.6 | Very low | 33 | Very low | 228 Ų | 228 | 151.1 Ų | 151.1 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -155.4 | 123.8 | -172.7 | -179.2 | -168.4 | -167 | 169.2 | 5.4 | 112.9 | ||||
| 251 | H | 32.7 | Very low | 33.2 | Very low | 194 Ų | 194 | 155 Ų | 155 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | trans | -160.5 | 150.1 | 165.1 | -75.8 | -55.2 | 0 | 0 | 0 | 109.6 | ||||
| 252 | A | 32.2 | Very low | 33.2 | Very low | 81 Ų | 81 | 152 Ų | 152 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | cis | -165.4 | 177.3 | -15.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 253 | S | 31.1 | Very low | 33.4 | Very low | 124 Ų | 124 | 151.9 Ų | 151.9 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | 83.3 | 150.3 | 165.9 | -52.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 254 | A | 34.7 | Very low | 33.3 | Very low | 90 Ų | 90 | 151.3 Ų | 151.3 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | cis | -175.2 | 113.5 | -31.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 255 | E | 36 | Very low | 33.3 | Very low | 191 Ų | 191 | 145.3 Ų | 145.3 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | -175.9 | 120.3 | 153 | 48.8 | -166.2 | 163.1 | 0 | 0 | 108.1 | ||||
| 256 | E | 33.3 | Very low | 33.1 | Very low | 174 Ų | 174 | 144.3 Ų | 144.3 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | 58.9 | 123.5 | 84.8 | -169.3 | 161.8 | -159.4 | 0 | 0 | 115.3 | |||||
| 257 | G | 31.7 | Very low | 32.3 | Very low | 69 Ų | 69 | 146.9 Ų | 146.9 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | -179 | -2.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 258 | R | 31.8 | Very low | 32.5 | Very low | 207 Ų | 207 | 146 Ų | 146 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | trans | 47.9 | 131.3 | 162.2 | -59.2 | -176.2 | 179 | -159.1 | -0.6 | 122.2 | ||||
| 259 | T | 32.4 | Very low | 33.5 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | trans | 70.2 | 153.6 | 138.3 | 53.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 260 | R | 31.1 | Very low | 32.7 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 70% | 0.698 | 76% | 0.757 | S | S | * | * | cis | -177 | 130.6 | -13 | 163.5 | -171.1 | 177.4 | -76.7 | 1.9 | 112.1 | ||||
| 261 | R | 34.5 | Very low | 32.8 | Very low | 165 Ų | 165 | 142.1 Ų | 142.1 | 62% | 0.623 | 76% | 0.755 | S | S | * | * | trans | 68.9 | 128.9 | 155.6 | -74.8 | 176.3 | 142.1 | -130.2 | -1 | 119 | ||||
| 262 | E | 28.7 | Very low | 32.6 | Very low | 126 Ų | 126 | 141.4 Ų | 141.4 | 59% | 0.589 | 75% | 0.752 | S | S | * | * | 92.7 | 148.1 | 91.8 | -73.2 | 168.6 | 171.1 | 0 | 0 | 112.9 | |||||
| 263 | S | 37.8 | Very low | 32.6 | Very low | 87 Ų | 87 | 141.4 Ų | 141.4 | 61% | 0.608 | 75% | 0.752 | S | S | * | * | cis | -168.6 | 164.5 | -14.3 | -101.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 264 | D | 29.1 | Very low | 32.7 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | 64.8 | 155.3 | 156.9 | -57.5 | -34.3 | 0 | 0 | 0 | 118.4 | ||||
| 265 | S | 29.8 | Very low | 32.5 | Very low | 107 Ų | 107 | 147 Ų | 147 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | cis | -151 | 137.1 | 0.7 | 26.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 266 | H | 29.8 | Very low | 32 | Very low | 172 Ų | 172 | 143.6 Ų | 143.6 | 80% | 0.796 | 74% | 0.741 | S | S | * | * | trans | 35.7 | 125.8 | 130.6 | -84 | -87 | 0 | 0 | 0 | 125.1 | ||||
| 267 | F | 24.2 | Very low | 31.8 | Very low | 181 Ų | 181 | 140.6 Ų | 140.6 | 79% | 0.794 | 74% | 0.735 | S | S | * | * | 89.5 | 170.6 | 128.6 | -136.4 | -110.2 | 0 | 0 | 0 | 121.7 | |||||
| 268 | V | 33.4 | Very low | 31.6 | Very low | 122 Ų | 122 | 145 Ų | 145 | 74% | 0.739 | 74% | 0.742 | S | S | * | * | trans | -154.7 | -161.5 | -162 | -119.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 269 | P | 53.2 | Low | 31.4 | Very low | 99 Ų | 99 | 147.3 Ų | 147.3 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | cis | -136.6 | -172.4 | 3.5 | 44.7 | -24 | 0 | 0 | 0 | 115.9 | ||||
| 270 | E | 25.9 | Very low | 31.3 | Very low | 175 Ų | 175 | 149.2 Ų | 149.2 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | 30 | 132.3 | 127.6 | -157.8 | 164 | -104.8 | 0 | 0 | 119.8 | |||||
| 271 | L | 35.3 | Very low | 32 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | cis | -164.1 | -146.5 | -2.1 | -157.2 | 88.4 | 0 | 0 | 0 | 110.9 | ||||
| 272 | E | 29 | Very low | 32.1 | Very low | 180 Ų | 180 | 145.6 Ų | 145.6 | 84% | 0.841 | 76% | 0.762 | S | S | * | * | trans | 75.2 | 145.6 | 161 | -63.5 | -167 | 137.5 | 0 | 0 | 119.6 | ||||
| 273 | A | 32.2 | Very low | 32.8 | Very low | 81 Ų | 81 | 145.4 Ų | 145.4 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | cis | -162.9 | 170.2 | -14.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 274 | L | 32.6 | Very low | 33.4 | Very low | 167 Ų | 167 | 147.2 Ų | 147.2 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | 15.6 | 142.8 | 148 | -70.5 | 161.7 | 0 | 0 | 0 | 120.6 | ||||
| 275 | Q | 30.1 | Very low | 33.4 | Very low | 163 Ų | 163 | 149 Ų | 149 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | cis | -135.8 | -172.7 | 11.6 | -53.2 | 168.8 | -131.2 | 0 | 0 | 109.1 | ||||
| 276 | D | 27 | Very low | 33.5 | Very low | 121 Ų | 121 | 151.5 Ų | 151.5 | 65% | 0.647 | 78% | 0.782 | S | S | * | * | cis | -159.4 | -161 | -1.7 | -133.3 | -34.8 | 0 | 0 | 0 | 106.8 | ||||
| 277 | T | 28.1 | Very low | 33.7 | Very low | 110 Ų | 110 | 149 Ų | 149 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | cis | -152 | 156.5 | 5.8 | -11.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 278 | L | 27.9 | Very low | 34.1 | Very low | 163 Ų | 163 | 147.1 Ų | 147.1 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | 12.9 | 107.3 | 153.3 | -69.1 | 168.6 | 0 | 0 | 0 | 120 | ||||
| 279 | R | 26.7 | Very low | 34.2 | Very low | 254 Ų | 254 | 148.8 Ų | 148.8 | 96% | 0.958 | 79% | 0.79 | S | S | * | * | -170.8 | 172 | 104.4 | -134.3 | 171.5 | -177.4 | 156.4 | 3.4 | 113.7 | |||||
| 280 | E | 31.9 | Very low | 33.7 | Very low | 172 Ų | 172 | 149.2 Ų | 149.2 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -121.6 | 169.6 | -163.6 | -165.5 | -160 | 138.5 | 0 | 0 | 110.2 | ||||
| 281 | P | 45.8 | Very low | 34.6 | Very low | 110 Ų | 110 | 146.7 Ų | 146.7 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | cis | -116.2 | -173.5 | -42.1 | 26.6 | -6.8 | 0 | 0 | 0 | 114.1 | ||||
| 282 | L | 36.2 | Very low | 34.6 | Very low | 165 Ų | 165 | 148.5 Ų | 148.5 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -83.9 | 159.4 | 175.7 | -60 | 168.9 | 0 | 0 | 0 | 113.6 | ||||
| 283 | P | 43.1 | Very low | 34.7 | Very low | 121 Ų | 121 | 152 Ų | 152 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | -148.4 | 172.1 | 96.2 | 36.7 | -17.8 | 0 | 0 | 0 | 115.8 | |||||
| 284 | P | 50.7 | Low | 34.9 | Very low | 125 Ų | 125 | 156 Ų | 156 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | -96.5 | 150.6 | -164 | 36.9 | -36.3 | 0 | 0 | 0 | 116.8 | ||||
| 285 | K | 29.1 | Very low | 34.7 | Very low | 187 Ų | 187 | 156.1 Ų | 156.1 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -156.7 | 155.2 | 170.7 | -67.1 | -172.2 | 179.9 | -179.5 | 0 | 109.6 | ||||
| 286 | Q | 31.8 | Very low | 34.7 | Very low | 158 Ų | 158 | 153.1 Ų | 153.1 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | cis | -162 | 152.9 | -15.9 | -112.7 | 170.6 | -38.7 | 0 | 0 | 107.7 | ||||
| 287 | S | 33.2 | Very low | 34.8 | Very low | 121 Ų | 121 | 153.3 Ų | 153.3 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | -76.1 | 141.5 | 163.3 | 45.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 288 | V | 32.5 | Very low | 34.8 | Very low | 140 Ų | 140 | 154.6 Ų | 154.6 | 85% | 0.848 | 82% | 0.822 | S | S | * | * | trans | -118.4 | 137.5 | -176.9 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 289 | L | 35.5 | Very low | 35.4 | Very low | 157 Ų | 157 | 152.2 Ų | 152.2 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 156.6 | -168.9 | -64.8 | 163.4 | 0 | 0 | 0 | 113.7 | ||
| 290 | P | 42.7 | Very low | 35.6 | Very low | 108 Ų | 108 | 148.7 Ų | 148.7 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 158.7 | 162 | 31.6 | -35 | 0 | 0 | 0 | 111.9 | ||
| 291 | P | 45.7 | Very low | 36.3 | Very low | 123 Ų | 123 | 145.6 Ų | 145.6 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 145.6 | -170.6 | 29.2 | -35.6 | 0 | 0 | 0 | 114.4 | ||
| 292 | K | 34.6 | Very low | 35.6 | Very low | 193 Ų | 193 | 143.6 Ų | 143.6 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 142.2 | -179.4 | -60.5 | 175.6 | 66.8 | 169.8 | 0 | 112 | ||
| 293 | W | 31.3 | Very low | 35.3 | Very low | 254 Ų | 254 | 142.9 Ų | 142.9 | 96% | 0.962 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 151 | 163.1 | -70.1 | 61 | 0 | 0 | 0 | 109.8 | ||
| 294 | L | 35.9 | Very low | 34.7 | Very low | 163 Ų | 163 | 145.4 Ų | 145.4 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -121.1 | 137.9 | 178.5 | -72.2 | 172.4 | 0 | 0 | 0 | 110.8 | ||||
| 295 | M | 29.3 | Very low | 33.8 | Very low | 170 Ų | 170 | 142.5 Ų | 142.5 | 84% | 0.837 | 80% | 0.797 | S | S | * | * | trans | -130.8 | 132.1 | 166.1 | -75.4 | -122.3 | 67.7 | 0 | 0 | 110.1 | ||||
| 296 | S | 29.6 | Very low | 34.6 | Very low | 100 Ų | 100 | 139.4 Ų | 139.4 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | trans | 41.7 | 131.6 | 150.4 | -55 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 297 | S | 28.2 | Very low | 35.6 | Very low | 126 Ų | 126 | 136.9 Ų | 136.9 | 88% | 0.881 | 79% | 0.793 | S | S | * | * | trans | -152.2 | 151.5 | 131.5 | -81.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 298 | T | 28.2 | Very low | 35.5 | Very low | 136 Ų | 136 | 142.7 Ų | 142.7 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | -116.1 | 142 | -177.7 | -56.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 299 | P | 41.9 | Very low | 35.6 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -91.2 | 148.6 | 178 | 35.6 | -34 | 0 | 0 | 0 | 113.4 | ||||
| 300 | E | 31 | Very low | 36.2 | Very low | 180 Ų | 180 | 140.2 Ų | 140.2 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | -154.8 | 168.3 | 164 | -97.6 | -64.2 | 79.5 | 0 | 0 | 107.8 | ||||
| 301 | P | 46.9 | Very low | 35.5 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | trans | -136.8 | 170.3 | -131.1 | 42.3 | -25.2 | 0 | 0 | 0 | 118.3 | ||||
| 302 | G | 30.1 | Very low | 34.6 | Very low | 68 Ų | 68 | 139.5 Ų | 139.5 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | 98.2 | 131.5 | 135.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 303 | N | 29.5 | Very low | 34.5 | Very low | 151 Ų | 151 | 139.3 Ų | 139.3 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | 148.6 | 145.2 | 148 | -86.2 | 8.7 | 0 | 0 | 0 | 111.4 | ||||
| 304 | E | 30.8 | Very low | 35.3 | Very low | 173 Ų | 173 | 132.6 Ų | 132.6 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | cis | -141.3 | 172.4 | -26.7 | -73.4 | -144.2 | 164.9 | 0 | 0 | 106.1 | ||||
| 305 | G | 31.4 | Very low | 35 | Very low | 65 Ų | 65 | 129 Ų | 129 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | cis | 179.3 | -160.6 | 30.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 306 | P | 47.3 | Very low | 35 | Very low | 121 Ų | 121 | 126.4 Ų | 126.4 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | trans | -124.4 | -153 | -153 | 47.6 | -36.3 | 0 | 0 | 0 | 113.3 | ||||
| 307 | P | 52.6 | Low | 34.9 | Very low | 105 Ų | 105 | 128.5 Ų | 128.5 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | cis | -134.5 | 164.7 | -17.4 | 38.2 | -21.7 | 0 | 0 | 0 | 116.3 | ||||
| 308 | R | 31.3 | Very low | 35 | Very low | 243 Ų | 243 | 132.6 Ų | 132.6 | 92% | 0.917 | 77% | 0.77 | S | S | * | * | 172.6 | 162.6 | 125.1 | -95.8 | 172 | -179.3 | -177.6 | 1.5 | 115.5 | |||||
| 309 | T | 33 | Very low | 35 | Very low | 131 Ų | 131 | 131.2 Ų | 131.2 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -100.3 | -176.1 | -175.1 | 52.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 310 | P | 48.9 | Very low | 34.7 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | cis | -146.5 | -179.8 | 12.8 | 45.2 | -25.7 | 0 | 0 | 0 | 119.6 | ||||
| 311 | S | 26.9 | Very low | 35.5 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | trans | 70.7 | 151.4 | 153.5 | -136.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 312 | S | 28.6 | Very low | 34.7 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | cis | -148.2 | 162.8 | 7 | -46.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 313 | H | 31.7 | Very low | 34.9 | Very low | 188 Ų | 188 | 130.4 Ų | 130.4 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | trans | -79.1 | 175.8 | 165.2 | -71.5 | -60.4 | 0 | 0 | 0 | 112.3 | ||||
| 314 | P | 47.9 | Very low | 34.9 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | cis | -125.3 | 158.9 | 18.3 | 23.3 | 2.3 | 0 | 0 | 0 | 116.2 | ||||
| 315 | A | 30.2 | Very low | 34.9 | Very low | 89 Ų | 89 | 124.7 Ų | 124.7 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | 53 | 139.1 | 84 | 0 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 316 | T | 28.1 | Very low | 35 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | -176.3 | 118.4 | 74.4 | -64.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 317 | L | 29.3 | Very low | 34.3 | Very low | 144 Ų | 144 | 131 Ų | 131 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | 65.1 | 152.5 | 141.4 | -62.5 | 173 | 0 | 0 | 0 | 127.4 | ||||
| 318 | Y | 29.4 | Very low | 34.2 | Very low | 211 Ų | 211 | 131.5 Ų | 131.5 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | trans | 88.9 | 164.5 | 144.1 | -87.8 | -57.2 | 0 | 0 | 0 | 123 | ||||
| 319 | S | 29.2 | Very low | 34.1 | Very low | 107 Ų | 107 | 126.6 Ų | 126.6 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -124.1 | 170.7 | -147.9 | -50 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 320 | S | 33.6 | Very low | 34.1 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -57.6 | 161 | 175.8 | -41.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 321 | P | 47.8 | Very low | 33.2 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | -153.2 | 155.4 | 102.7 | 38.8 | -21.8 | 0 | 0 | 0 | 118.6 | |||||
| 322 | S | 31 | Very low | 33.4 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 56.4 | 134.3 | 138.8 | -153 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 323 | A | 33.3 | Very low | 33.5 | Very low | 102 Ų | 102 | 131.6 Ų | 131.6 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | 59.2 | 161.7 | 149.9 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 324 | G | 30.4 | Very low | 33.6 | Very low | 61 Ų | 61 | 128.7 Ų | 128.7 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | cis | 167.3 | 145.4 | -12.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 325 | T | 31.2 | Very low | 32.7 | Very low | 142 Ų | 142 | 128.1 Ų | 128.1 | 87% | 0.871 | 79% | 0.792 | S | S | * | * | trans | 63.4 | 141.2 | 167.2 | 75.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 326 | S | 32.6 | Very low | 32.8 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | 142.4 | 157.3 | 133.9 | 66.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 327 | K | 33.3 | Very low | 32.9 | Very low | 199 Ų | 199 | 128.6 Ų | 128.6 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | trans | -134.9 | -177.3 | 169.4 | -53.5 | 179.2 | 179.4 | 177.4 | 0 | 106.2 | ||||
| 328 | P | 49.7 | Very low | 33 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | cis | -132.4 | -166.7 | -9.1 | 39.8 | -21.1 | 0 | 0 | 0 | 112.8 | ||||
| 329 | V | 29.2 | Very low | 33 | Very low | 140 Ų | 140 | 123.7 Ų | 123.7 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | 171 | 162 | 129.3 | 152.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 330 | R | 33.7 | Very low | 33.2 | Very low | 229 Ų | 229 | 126.2 Ų | 126.2 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -80.3 | 179.5 | -177.6 | -95.9 | 175.5 | 175.4 | 146.4 | -4.1 | 113.4 | ||||
| 331 | S | 29.5 | Very low | 33.2 | Very low | 91 Ų | 91 | 127.9 Ų | 127.9 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | cis | -168.5 | -175.1 | 8.9 | -125 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 332 | V | 31.6 | Very low | 33.6 | Very low | 136 Ų | 136 | 127 Ų | 127 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | 69 | 147.6 | 165.6 | -50.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 333 | S | 30.2 | Very low | 33.8 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | cis | -143.6 | 177.3 | 24.3 | -67.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 334 | S | 34.1 | Very low | 34.8 | Very low | 127 Ų | 127 | 126.4 Ų | 126.4 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | trans | -148.5 | 145.9 | -169 | -40.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 335 | A | 30.3 | Very low | 34.9 | Very low | 102 Ų | 102 | 129 Ų | 129 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -177.8 | 153.9 | 155 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 336 | G | 31.3 | Very low | 35 | Very low | 72 Ų | 72 | 126.6 Ų | 126.6 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | cis | 102.5 | 120.3 | 12.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 337 | T | 30.6 | Very low | 34.8 | Very low | 141 Ų | 141 | 129.1 Ų | 129.1 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | cis | -150.4 | 158.8 | 44.2 | 45.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 338 | S | 30.7 | Very low | 34.8 | Very low | 108 Ų | 108 | 125.7 Ų | 125.7 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | cis | 87.6 | 120.7 | 39.4 | -167.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 339 | T | 29.5 | Very low | 34.7 | Very low | 145 Ų | 145 | 125.9 Ų | 125.9 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | trans | -168 | 158.7 | 154.7 | -73.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 340 | H | 34.2 | Very low | 34.6 | Very low | 160 Ų | 160 | 125.2 Ų | 125.2 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -155.1 | 164.8 | -155.7 | -161.9 | -148.2 | 0 | 0 | 0 | 114 | ||||
| 341 | Q | 33.3 | Very low | 34.6 | Very low | 151 Ų | 151 | 119.4 Ų | 119.4 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | 79.9 | 161.6 | 158.5 | -63.5 | -93 | -62.1 | 0 | 0 | 120.1 | ||||
| 342 | P | 56.9 | Low | 35 | Very low | 101 Ų | 101 | 124.7 Ų | 124.7 | 66% | 0.656 | 80% | 0.798 | S | S | * | * | cis | -148 | 174.4 | -38.2 | 41.4 | -24 | 0 | 0 | 0 | 118.9 | ||||
| 343 | A | 33.6 | Very low | 35 | Very low | 88 Ų | 88 | 121.2 Ų | 121.2 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | 77.9 | 169.5 | 143.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 344 | P | 54.7 | Low | 35 | Very low | 116 Ų | 116 | 122.2 Ų | 122.2 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | -142.5 | 174.3 | -63.4 | 44 | -28.7 | 0 | 0 | 0 | 118.1 | |||||
| 345 | S | 33.8 | Very low | 35 | Very low | 114 Ų | 114 | 126 Ų | 126 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | 83.1 | 99.9 | 146.8 | -62.2 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 346 | A | 31.8 | Very low | 35.4 | Very low | 93 Ų | 93 | 129.2 Ų | 129.2 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | 54.2 | 126.1 | 126.4 | 0 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 347 | L | 29 | Very low | 36 | Very low | 171 Ų | 171 | 131 Ų | 131 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | 173.9 | 173.2 | 115 | -91.1 | 172.8 | 0 | 0 | 0 | 113.4 | |||||
| 348 | T | 33.9 | Very low | 36.7 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -125.2 | -174.4 | -176.3 | 63.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 349 | P | 46.9 | Very low | 37.4 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | cis | -133.2 | -178.1 | -10.2 | 43.3 | -27.6 | 0 | 0 | 0 | 114.7 | ||||
| 350 | S | 27.2 | Very low | 38.6 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 88% | 0.881 | 78% | 0.78 | S | S | * | * | trans | 178.1 | 172.4 | 140.8 | -163.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 351 | S | 33.7 | Very low | 39.7 | Very low | 106 Ų | 106 | 128.5 Ų | 128.5 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | -134.5 | 150.6 | -176.4 | 68.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 352 | Q | 38.7 | Very low | 40.2 | Very low | 202 Ų | 202 | 127.4 Ų | 127.4 | 94% | 0.944 | 79% | 0.785 | S | S | * | * | trans | -159.4 | 150 | 152.6 | -76.9 | -150.7 | -3.4 | 0 | 0 | 113.2 | ||||
| 353 | G | 30.7 | Very low | 39.5 | Very low | 64 Ų | 64 | 131.6 Ų | 131.6 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | 91.8 | 61.2 | 123.3 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 354 | T | 31 | Very low | 39.7 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | 27.6 | 122 | 139.8 | 56.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 355 | K | 34 | Very low | 38.8 | Very low | 207 Ų | 207 | 133.2 Ų | 133.2 | 90% | 0.9 | 79% | 0.794 | S | S | * | * | -172.4 | 148.3 | 109.9 | -101.4 | 166.6 | -174.1 | 176.1 | 0 | 112.3 | |||||
| 356 | Q | 37.6 | Very low | 39 | Very low | 169 Ų | 169 | 134.3 Ų | 134.3 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -87 | 146 | 179.9 | -80.3 | -176.4 | -22.4 | 0 | 0 | 112.7 | ||
| 357 | P | 45.4 | Very low | 39.2 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 149.1 | 147.8 | 33.6 | -32.2 | 0 | 0 | 0 | 110.4 | ||
| 358 | P | 43.5 | Very low | 39.6 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 151.6 | -169.9 | 27.9 | -35.5 | 0 | 0 | 0 | 114.3 | ||
| 359 | L | 47.3 | Very low | 39.7 | Very low | 152 Ų | 152 | 140 Ų | 140 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 142.6 | 174.6 | -71.9 | 167.9 | 0 | 0 | 0 | 111.9 | ||
| 360 | P | 53.5 | Low | 39 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 145.3 | 176.3 | 29.9 | -35 | 0 | 0 | 0 | 111.6 | ||
| 361 | P | 56.9 | Low | 39.3 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 149 | -179.5 | 26.7 | -34.7 | 0 | 0 | 0 | 112.5 | ||
| 362 | P | 45.2 | Very low | 39.3 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 138.2 | 178.9 | 27.4 | -34.4 | 0 | 0 | 0 | 111.4 | ||
| 363 | K | 41.4 | Very low | 39 | Very low | 190 Ų | 190 | 138.5 Ų | 138.5 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 136.5 | -176.5 | -65.2 | 167.6 | -177.2 | 168.5 | 0 | 110.9 | V365 | K363-V365 PolarHBondContact O-N 2.73Š|
| 364 | P | 38.3 | Very low | 38.9 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 129.1 | 169.7 | 26.4 | -33.2 | 0 | 0 | 0 | 109.9 | N366 | P364-N366 PolarHBondContact O-N 2.98Š|
| 365 | V | 35 | Very low | 38.9 | Very low | 109 Ų | 109 | 140 Ų | 140 | 66% | 0.661 | 79% | 0.787 | S | S | * | * | trans | -77.1 | 115.2 | -178.6 | 172.6 | 0 | 0 | 0 | 0 | 109.7 | K363 R367 | K363-V365 PolarHBondContact O-N 2.73Å; V365-R367 HydrophobicContact CG1-CB 4.4Å; V365-R367 HydrophobicContact CG1-CG 4.37Å; V365-R367 PolarHBondContact O-N 2.98Å | ||
| 366 | N | 39.2 | Very low | 38.7 | Very low | 137 Ų | 137 | 134.6 Ų | 134.6 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | trans | -62.7 | 121.5 | 165.2 | -179.9 | -17.9 | 0 | 0 | 0 | 108.8 | P364 N368 | P364-N366 PolarHBondContact O-N 2.98Å; N366-N368 PolarHBondContact OD1-N 3.07Å | ||
| 367 | R | 35.6 | Very low | 38.5 | Very low | 208 Ų | 208 | 134.4 Ų | 134.4 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -136.8 | 46.1 | -178.4 | -131 | 175.3 | -173.8 | 136 | 0.8 | 113.7 | V365 N369 | V365-R367 HydrophobicContact CG1-CB 4.4Å; V365-R367 HydrophobicContact CG1-CG 4.37Å; V365-R367 PolarHBondContact O-N 2.98Å; R367-N369 VanDerWaalsContact C-N 3.28Å; R367-N369 PolarHBondContact O-N 3.25Å | ||
| 368 | N | 36.2 | Very low | 37.7 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | trans | -65.8 | 88.3 | 158.8 | -79.9 | 3.7 | 0 | 0 | 0 | 109.9 | N366 | N366-N368 PolarHBondContact OD1-N 3.07Š| ||
| 369 | N | 35.8 | Very low | 37 | Very low | 155 Ų | 155 | 136.2 Ų | 136.2 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | -158 | 104.5 | 166.7 | -98 | -42.1 | 0 | 0 | 0 | 110.7 | R367 | R367-N369 VanDerWaalsContact C-N 3.28Å; R367-N369 PolarHBondContact O-N 3.25Å | ||
| 370 | A | 32.7 | Very low | 36.1 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 94% | 0.942 | 80% | 0.796 | S | S | * | * | trans | -98.9 | 79.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 371 | A | 33.2 | Very low | 35.1 | Very low | 89 Ų | 89 | 135.7 Ų | 135.7 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | trans | -162 | 99.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 372 | M | 34.3 | Very low | 34 | Very low | 162 Ų | 162 | 137.4 Ų | 137.4 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | trans | 154.8 | 110.8 | 143.8 | -87.7 | -49.1 | -56.1 | 0 | 0 | 110.4 | ||||
| 373 | L | 32.7 | Very low | 33.4 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | -160.5 | 112.3 | 147.1 | -114.5 | 168.2 | 0 | 0 | 0 | 108.8 | ||||
| 374 | V | 28.9 | Very low | 33 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 75% | 0.745 | 81% | 0.805 | S | S | * | * | trans | -138.3 | 137 | 168 | 169 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 375 | S | 30.9 | Very low | 32.5 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | trans | 68 | 148.3 | -168.6 | -53.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 376 | A | 30 | Very low | 32.5 | Very low | 94 Ų | 94 | 137.8 Ų | 137.8 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | cis | -130.5 | 169 | 6.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 377 | L | 31.7 | Very low | 32.1 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -77.6 | 140.9 | 171.5 | -74.9 | 67.5 | 0 | 0 | 0 | 110.5 | ||||
| 378 | Q | 30.4 | Very low | 31.7 | Very low | 193 Ų | 193 | 138.5 Ų | 138.5 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | -149.4 | 155.5 | 144.8 | -146.9 | 73.5 | 60.5 | 0 | 0 | 108.1 | ||||
| 379 | G | 28.1 | Very low | 31.3 | Very low | 81 Ų | 81 | 140 Ų | 140 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | -68.2 | 156.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 380 | G | 27.9 | Very low | 31 | Very low | 80 Ų | 80 | 137 Ų | 137 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | 179.4 | 71.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 381 | E | 32 | Very low | 31 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -77.6 | 151.3 | -174.9 | 54.1 | -166.2 | 92.6 | 0 | 0 | 113.7 | ||||
| 382 | N | 34.9 | Very low | 30.8 | Very low | 150 Ų | 150 | 143.9 Ų | 143.9 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | 69.3 | 76.7 | 172.4 | -52.7 | -64.2 | 0 | 0 | 0 | 118 | ||||
| 383 | A | 32.9 | Very low | 30.7 | Very low | 94 Ų | 94 | 143.8 Ų | 143.8 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | trans | -150.8 | 93.2 | 158.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L385 | A383-L385 PolarHBondContact O-N 2.73Š| ||
| 384 | Q | 31.5 | Very low | 30.6 | Very low | 195 Ų | 195 | 144.5 Ų | 144.5 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | -91.6 | 99.1 | 177.9 | -172.8 | 169.1 | -2.3 | 0 | 0 | 111.3 | ||||
| 385 | L | 29.2 | Very low | 30.8 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -90 | 121.9 | 175 | -70.3 | 172.6 | 0 | 0 | 0 | 111.2 | A383 | A383-L385 PolarHBondContact O-N 2.73Š| ||
| 386 | P | 35.2 | Very low | 30.7 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -79.4 | 132.8 | 175.6 | 31.1 | -33 | 0 | 0 | 0 | 111.7 | ||||
| 387 | L | 30.2 | Very low | 30.7 | Very low | 173 Ų | 173 | 147.6 Ų | 147.6 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | trans | -116.9 | 98.6 | 173.9 | -77.9 | 174.1 | 0 | 0 | 0 | 111.7 | ||||
| 388 | Y | 27.5 | Very low | 30.7 | Very low | 186 Ų | 186 | 150.3 Ų | 150.3 | 73% | 0.729 | 78% | 0.781 | S | S | * | * | trans | -148.1 | 151.7 | 157.9 | -143.1 | -122.5 | 0 | 0 | 0 | 105 | ||||
| 389 | W | 27.3 | Very low | 30.8 | Very low | 177 Ų | 177 | 149.2 Ų | 149.2 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | cis | -132.1 | 169.3 | 32.2 | -71.2 | 60.3 | 0 | 0 | 0 | 112.6 | W392 | W389-W392 AromaticContact CE3-NE1 3.53Å; W389-W392 HydrophobicContact CH2-CZ2 4.35Å; W389-W392 AromaticContact CZ3-CE2 3.9Å; W389-W392 AromaticContact CZ3-CZ2 3.96Å; W389-W392 HydrophobicContact CZ3-CZ2 3.96Å; W389-W392 AromaticContact CZ3-NE1 3.46Å | ||
| 390 | S | 29.6 | Very low | 31 | Very low | 92 Ų | 92 | 151.2 Ų | 151.2 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | trans | -150.4 | 142.6 | 161.8 | -69.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 391 | C | 32.4 | Very low | 31.4 | Very low | 127 Ų | 127 | 158.5 Ų | 158.5 | 86% | 0.858 | 78% | 0.781 | S | S | * | * | trans | 56.7 | 98.5 | 170.1 | -57.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 392 | W | 28.9 | Very low | 31.4 | Very low | 221 Ų | 221 | 158 Ų | 158 | 84% | 0.837 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 126.1 | 150.8 | -75 | 58.4 | 0 | 0 | 0 | 108.3 | W389 | W389-W392 AromaticContact CE3-NE1 3.53Å; W389-W392 HydrophobicContact CH2-CZ2 4.35Å; W389-W392 AromaticContact CZ3-CE2 3.9Å; W389-W392 AromaticContact CZ3-CZ2 3.96Å; W389-W392 HydrophobicContact CZ3-CZ2 3.96Å; W389-W392 AromaticContact CZ3-NE1 3.46Å |
| 393 | K | 32.6 | Very low | 31.3 | Very low | 161 Ų | 161 | 156.4 Ų | 156.4 | 70% | 0.7 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 138.7 | 162.5 | -176.2 | 171.8 | -175.8 | -93.2 | 0 | 108.1 | E395 | K393-E395 IonicContact NZ-OE1 3.2Å; K393-E395 PolarHBondContact NZ-OE1 2.67Å; K393-E395 IonicContact NZ-OE2 2.74Å; K393-E395 PolarHBondContact NZ-OE2 2.98Å |
| 394 | R | 30.8 | Very low | 31.2 | Very low | 173 Ų | 173 | 159.8 Ų | 159.8 | 65% | 0.653 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 123.2 | 178.1 | 175.7 | -164.6 | -69.6 | -177.7 | -9.5 | 109.7 | ||
| 395 | E | 33 | Very low | 31.4 | Very low | 147 Ų | 147 | 156 Ų | 156 | 69% | 0.687 | 78% | 0.781 | S | S | * | * | trans | -137.7 | 149.2 | 140.6 | -89.9 | 87 | -160.9 | 0 | 0 | 106.6 | K393 | K393-E395 IonicContact NZ-OE1 3.2Å; K393-E395 PolarHBondContact NZ-OE1 2.67Å; K393-E395 IonicContact NZ-OE2 2.74Å; K393-E395 PolarHBondContact NZ-OE2 2.98Å | ||
| 396 | C | 28.5 | Very low | 31.7 | Very low | 96 Ų | 96 | 154.4 Ų | 154.4 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | trans | -115.2 | 150.8 | -179.9 | -58.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 397 | D | 30.9 | Very low | 32 | Very low | 142 Ų | 142 | 159.5 Ų | 159.5 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | 150.2 | 161.8 | 128.1 | -72 | -13.9 | 0 | 0 | 0 | 112.6 | |||||
| 398 | Y | 31.6 | Very low | 32.3 | Very low | 223 Ų | 223 | 158.4 Ų | 158.4 | 88% | 0.875 | 78% | 0.777 | S | S | * | * | trans | 75.6 | 102.3 | -178.1 | -61.8 | -79.5 | 0 | 0 | 0 | 118 | ||||
| 399 | D | 31.7 | Very low | 32.6 | Very low | 170 Ų | 170 | 155.4 Ų | 155.4 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | -68.5 | 119.7 | 162.2 | -76 | -68.4 | 0 | 0 | 0 | 112.1 | ||||
| 400 | V | 32.6 | Very low | 32.6 | Very low | 123 Ų | 123 | 158.6 Ų | 158.6 | 75% | 0.745 | 79% | 0.793 | S | S | * | * | trans | -141.2 | 124.6 | 156.1 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | L402 | V400-L402 PolarHBondContact O-N 3.25Š| ||
| 401 | Y | 36.4 | Very low | 32.7 | Very low | 232 Ų | 232 | 165.4 Ų | 165.4 | 91% | 0.91 | 81% | 0.805 | S | S | * | * | trans | -68.9 | 111.6 | 175.8 | -115.7 | -103.2 | 0 | 0 | 0 | 111.2 | ||||
| 402 | L | 32.1 | Very low | 32.5 | Very low | 162 Ų | 162 | 164.2 Ų | 164.2 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -141.7 | 134.7 | 166.4 | -75.6 | 179.6 | 0 | 0 | 0 | 112.2 | V400 | V400-L402 PolarHBondContact O-N 3.25Š| ||
| 403 | S | 31.8 | Very low | 32.4 | Very low | 117 Ų | 117 | 157.6 Ų | 157.6 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 149.1 | -169.2 | -55 | 0 | 0 | 0 | 0 | 114.4 | ||
| 404 | L | 31.1 | Very low | 32.2 | Very low | 164 Ų | 164 | 153.4 Ų | 153.4 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 129.8 | 177.1 | -71.9 | 168 | 0 | 0 | 0 | 112.5 | ||
| 405 | P | 35.8 | Very low | 32.2 | Very low | 116 Ų | 116 | 152.6 Ų | 152.6 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 135.1 | 172.8 | -19.4 | 32.9 | 0 | 0 | 0 | 113.2 | ||
| 406 | V | 34.7 | Very low | 32.1 | Very low | 122 Ų | 122 | 155.4 Ų | 155.4 | 74% | 0.739 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 131.6 | 172.8 | 176.6 | 0 | 0 | 0 | 0 | 110 | ||
| 407 | Y | 42.8 | Very low | 32.2 | Very low | 226 Ų | 226 | 155 Ų | 155 | 89% | 0.886 | 82% | 0.818 | S | S | * | * | trans | -135.1 | 138.8 | 166.5 | -90.3 | -78.7 | 0 | 0 | 0 | 111.3 | ||||
| 408 | L | 35.3 | Very low | 32.2 | Very low | 150 Ų | 150 | 151.1 Ų | 151.1 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -114.9 | 142.1 | -171.8 | -85.7 | 168.9 | 0 | 0 | 0 | 114.4 | ||||
| 409 | C | 33.8 | Very low | 32 | Very low | 123 Ų | 123 | 147.6 Ų | 147.6 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | trans | 5.4 | 140.9 | 151 | -56.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 410 | R | 27.8 | Very low | 31.9 | Very low | 243 Ų | 243 | 148.8 Ų | 148.8 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | trans | -157.9 | 139.3 | 157.3 | -177.7 | -176.8 | -67.6 | -122.4 | 0.1 | 109.2 | ||||
| 411 | R | 32.1 | Very low | 31.9 | Very low | 235 Ų | 235 | 147.4 Ų | 147.4 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | cis | -165.6 | 162 | -23.6 | -178.9 | 174.6 | -170.7 | -166.5 | 5.4 | 107.8 | ||||
| 412 | A | 28.5 | Very low | 31.7 | Very low | 102 Ų | 102 | 145.3 Ų | 145.3 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | 85.2 | 148.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 413 | G | 27 | Very low | 31.6 | Very low | 82 Ų | 82 | 141.6 Ų | 141.6 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | cis | 158.4 | 117.8 | -14.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 414 | G | 28.2 | Very low | 31.5 | Very low | 74 Ų | 74 | 143.2 Ų | 143.2 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | trans | 119.5 | 162 | 166.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 415 | L | 31.3 | Very low | 31.4 | Very low | 155 Ų | 155 | 139 Ų | 139 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | cis | -174.4 | 156.7 | -25.5 | -122.9 | 172 | 0 | 0 | 0 | 107.8 | ||||
| 416 | R | 30.5 | Very low | 31.1 | Very low | 206 Ų | 206 | 137.5 Ų | 137.5 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | trans | 73.5 | 157.7 | 178.8 | -48.7 | -83.2 | 76.2 | -132.4 | 3.6 | 115.7 | ||||
| 417 | S | 30 | Very low | 31 | Very low | 89 Ų | 89 | 137 Ų | 137 | 62% | 0.622 | 81% | 0.808 | S | S | * | * | 166.6 | 127 | -63.1 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 418 | G | 30.4 | Very low | 30.3 | Very low | 59 Ų | 59 | 132 Ų | 132 | 61% | 0.608 | 81% | 0.806 | S | S | * | * | trans | 90.9 | 151.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 419 | D | 28.4 | Very low | 30.5 | Very low | 149 Ų | 149 | 132.7 Ų | 132.7 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | cis | -162.4 | 157.6 | -11.1 | -99.8 | -49.3 | 0 | 0 | 0 | 112.3 | ||||
| 420 | F | 30 | Very low | 30.4 | Very low | 195 Ų | 195 | 135.8 Ų | 135.8 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | 33 | 140.1 | 151.7 | -101.9 | -126 | 0 | 0 | 0 | 121.7 | ||||
| 421 | S | 31.4 | Very low | 30.9 | Very low | 95 Ų | 95 | 130 Ų | 130 | 66% | 0.664 | 81% | 0.806 | S | S | * | * | cis | -163.4 | 169.5 | 28 | -46.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 422 | Q | 32.8 | Very low | 31 | Very low | 188 Ų | 188 | 123.6 Ų | 123.6 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | 88.6 | 100.5 | 138.8 | -160.6 | 163.7 | 97 | 0 | 0 | 123 | ||||
| 423 | A | 29.5 | Very low | 31.3 | Very low | 83 Ų | 83 | 128.1 Ų | 128.1 | 69% | 0.686 | 80% | 0.803 | S | S | * | * | trans | 54.5 | 102.8 | 132.2 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 424 | T | 29.9 | Very low | 32.2 | Very low | 151 Ų | 151 | 130.3 Ų | 130.3 | 93% | 0.926 | 80% | 0.802 | S | S | * | * | 53.8 | 113.6 | 117.5 | -42.1 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 425 | G | 28.6 | Very low | 32.9 | Very low | 76 Ų | 76 | 132.1 Ų | 132.1 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | trans | 166.9 | 121.4 | 151.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 426 | G | 29.3 | Very low | 33.9 | Very low | 85 Ų | 85 | 130.5 Ų | 130.5 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | trans | 93.5 | 134.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 427 | A | 33.3 | Very low | 34.9 | Very low | 111 Ų | 111 | 126.9 Ų | 126.9 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | trans | -82.2 | 151.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 428 | S | 29 | Very low | 35.9 | Very low | 122 Ų | 122 | 131 Ų | 131 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | trans | -141.3 | 145.5 | 166.2 | -169.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 429 | L | 37.8 | Very low | 36.8 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 86% | 0.859 | 82% | 0.824 | S | S | * | * | trans | -97.1 | 146.3 | -169 | -70 | 162.1 | 0 | 0 | 0 | 111.9 | ||||
| 430 | H | 32.9 | Very low | 37.8 | Very low | 188 Ų | 188 | 132.8 Ų | 132.8 | 87% | 0.87 | 83% | 0.826 | S | S | * | * | trans | -66.3 | 128.5 | 171.4 | -92 | -93.5 | 0 | 0 | 0 | 111.5 | A432 | H430-A432 PolarHBondContact O-N 3.29Å; H430-A432 VanDerWaalsContact O-N 3.16Å | ||
| 431 | P | 37.3 | Very low | 38.2 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 79% | 0.792 | 83% | 0.829 | S | S | * | * | trans | -79.1 | 97.3 | 173.4 | 30.7 | -33.1 | 0 | 0 | 0 | 111.2 | ||||
| 432 | A | 34.1 | Very low | 38.3 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 136.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | H430 | H430-A432 PolarHBondContact O-N 3.29Å; H430-A432 VanDerWaalsContact O-N 3.16Å |
| 433 | K | 35.6 | Very low | 38.9 | Very low | 198 Ų | 198 | 137.7 Ų | 137.7 | 86% | 0.861 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 137 | 177.8 | -66.6 | 176.4 | -179.1 | 174.2 | 0 | 110.5 | ||
| 434 | P | 44.8 | Very low | 39.3 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 151.4 | 179.6 | 30.7 | -35.3 | 0 | 0 | 0 | 112.8 | ||
| 435 | S | 44.7 | Very low | 40 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 79% | 0.79 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 154.4 | 175 | -62.9 | 0 | 0 | 0 | 0 | 112.7 | ||
| 436 | P | 51.3 | Low | 40.1 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 79% | 0.786 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 147.8 | 177.4 | 30.6 | -35.5 | 0 | 0 | 0 | 112.8 | ||
| 437 | P | 52.7 | Low | 40.1 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -80 | 154.9 | -178.3 | 32.5 | -36.1 | 0 | 0 | 0 | 113.9 | ||
| 438 | M | 49.1 | Very low | 40.2 | Very low | 177 Ų | 177 | 147 Ų | 147 | 87% | 0.872 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 152.7 | 175.2 | -69.3 | 174.1 | 64.4 | 0 | 0 | 112.8 | ||
| 439 | P | 50.4 | Low | 40.3 | Very low | 115 Ų | 115 | 152 Ų | 152 | 75% | 0.747 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 149.9 | 176.2 | 31.9 | -35.4 | 0 | 0 | 0 | 113 | ||
| 440 | P | 48.9 | Very low | 39.8 | Very low | 129 Ų | 129 | 152 Ų | 152 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 152.6 | -178.2 | 30.5 | -35.5 | 0 | 0 | 0 | 113.8 | ||
| 441 | K | 38.5 | Very low | 39.8 | Very low | 213 Ų | 213 | 149 Ų | 149 | 93% | 0.926 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 140.9 | 177.4 | -64.8 | 178.5 | 179.6 | 177.7 | 0 | 111.3 | ||
| 442 | R | 33.1 | Very low | 39.7 | Very low | 239 Ų | 239 | 150.5 Ų | 150.5 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 117.1 | 179.5 | -169.4 | -179.9 | 76.4 | -169.9 | 5.5 | 110.8 | ||
| 443 | T | 45.7 | Very low | 39.4 | Very low | 130 Ų | 130 | 152.9 Ų | 152.9 | 80% | 0.798 | 82% | 0.823 | S | S | * | * | trans | -105.5 | 154.8 | 171.3 | -173.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 444 | T | 37.8 | Very low | 40.1 | Very low | 101 Ų | 101 | 148.8 Ų | 148.8 | 62% | 0.62 | 82% | 0.816 | S | S | * | * | trans | -129.8 | 123 | -176.2 | 48.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 445 | P | 44.5 | Very low | 39.5 | Very low | 129 Ų | 129 | 149 Ų | 149 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 144.8 | 176.5 | 30.9 | -34 | 0 | 0 | 0 | 111.5 | ||
| 446 | V | 30.7 | Very low | 39.6 | Very low | 136 Ų | 136 | 149.3 Ų | 149.3 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 130.6 | 174 | 171 | 0 | 0 | 0 | 0 | 109.4 | ||
| 447 | T | 29.9 | Very low | 38.5 | Very low | 132 Ų | 132 | 148.2 Ų | 148.2 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 131.7 | 179 | -46 | 0 | 0 | 0 | 0 | 112 | ||
| 448 | K | 35.2 | Very low | 37.3 | Very low | 202 Ų | 202 | 150.3 Ų | 150.3 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | trans | -137.1 | 152.2 | 151.6 | -82.1 | -156.3 | 172.5 | -172.6 | 0 | 111 | ||||
| 449 | R | 31.1 | Very low | 37.4 | Very low | 227 Ų | 227 | 147.6 Ų | 147.6 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | trans | -85.5 | 159.9 | -179.1 | -56.2 | 178.8 | -178.6 | 106.4 | -1 | 110.9 | ||||
| 450 | N | 27.7 | Very low | 36.4 | Very low | 164 Ų | 164 | 147.7 Ų | 147.7 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | trans | -132.3 | 163 | 144.6 | -98.5 | -18.1 | 0 | 0 | 0 | 108.8 | ||||
| 451 | T | 33.4 | Very low | 35.4 | Very low | 126 Ų | 126 | 148.3 Ų | 148.3 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -154.2 | 136.8 | 178.8 | -57.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 452 | D | 35.2 | Very low | 36.1 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -89.6 | 147.5 | -165.7 | -49.4 | -90.7 | 0 | 0 | 0 | 113.8 | ||||
| 453 | D | 26.8 | Very low | 36 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | 17.1 | 163.9 | 142.7 | -120.4 | 18.1 | 0 | 0 | 0 | 122.6 | ||||
| 454 | P | 50.4 | Low | 36.6 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | cis | -133 | -179.1 | -5.3 | 20.2 | 6.2 | 0 | 0 | 0 | 116.4 | ||||
| 455 | T | 32.4 | Very low | 36.2 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -80.8 | 170.7 | 170.6 | 45.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 456 | P | 47.3 | Very low | 35.5 | Very low | 121 Ų | 121 | 138 Ų | 138 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | cis | -138.8 | -153.2 | 35.3 | 38.8 | -12.9 | 0 | 0 | 0 | 114.1 | ||||
| 457 | S | 27.9 | Very low | 35.6 | Very low | 97 Ų | 97 | 137.5 Ų | 137.5 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | cis | -153.6 | -112 | 12.6 | 59.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 458 | H | 28.1 | Very low | 35.7 | Very low | 174 Ų | 174 | 139 Ų | 139 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | trans | -149.4 | 159.8 | -162.6 | -63.9 | -68.2 | 0 | 0 | 0 | 110.2 | ||||
| 459 | P | 51.1 | Low | 35.6 | Very low | 119 Ų | 119 | 135.7 Ų | 135.7 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | cis | -148.9 | -163.7 | 49.9 | 43.4 | -20.3 | 0 | 0 | 0 | 114.3 | ||||
| 460 | V | 29.7 | Very low | 35.8 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 72% | 0.715 | 76% | 0.76 | S | S | * | * | cis | -162.5 | 140.2 | -25.8 | 133.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 461 | I | 27 | Very low | 35.9 | Very low | 142 Ų | 142 | 129.2 Ų | 129.2 | 73% | 0.728 | 76% | 0.757 | S | S | * | * | trans | 14.6 | 149.4 | 133.5 | -15.1 | 164 | 0 | 0 | 0 | 118.7 | ||||
| 462 | P | 53.7 | Low | 35.9 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | cis | -158.9 | 158.1 | 50 | 44.8 | -21.2 | 0 | 0 | 0 | 125 | ||||
| 463 | S | 29.6 | Very low | 35.9 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | 71.3 | 166.9 | 136.3 | -75.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 464 | P | 59.8 | Low | 36.7 | Very low | 93 Ų | 93 | 129.6 Ų | 129.6 | 60% | 0.604 | 76% | 0.758 | S | S | * | * | cis | -135.6 | -177.2 | -10.8 | 20.5 | 5.5 | 0 | 0 | 0 | 117.1 | ||||
| 465 | H | 27.8 | Very low | 35.8 | Very low | 178 Ų | 178 | 131 Ų | 131 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | trans | 84.5 | 149 | 161.5 | -52.2 | -73.4 | 0 | 0 | 0 | 120 | ||||
| 466 | S | 30.8 | Very low | 35.7 | Very low | 105 Ų | 105 | 128 Ų | 128 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | cis | -173 | 164.4 | -32.4 | -159.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 467 | V | 32.5 | Very low | 35.1 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | trans | 106.1 | 133.8 | 159.3 | -174.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 468 | E | 32.7 | Very low | 35.6 | Very low | 165 Ų | 165 | 136.3 Ų | 136.3 | 77% | 0.771 | 77% | 0.774 | S | S | * | * | trans | -41.6 | 166.5 | 173.4 | -79.5 | 79.8 | -173 | 0 | 0 | 119.4 | ||||
| 469 | D | 33.2 | Very low | 35.9 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | cis | -167.5 | 178.8 | -9.7 | 173.4 | 43 | 0 | 0 | 0 | 110.2 | ||||
| 470 | H | 34.9 | Very low | 35.6 | Very low | 176 Ų | 176 | 135.3 Ų | 135.3 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | trans | 106.7 | 132.1 | 160 | -54.8 | -20.4 | 0 | 0 | 0 | 119.1 | ||||
| 471 | G | 30.6 | Very low | 36.9 | Very low | 78 Ų | 78 | 135.5 Ų | 135.5 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 125.1 | 114.4 | 149.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 472 | I | 31.4 | Very low | 37.8 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | -97.7 | 151.6 | -178.8 | -61.3 | -66.8 | 0 | 0 | 0 | 113.2 | ||||
| 473 | L | 35.8 | Very low | 37.9 | Very low | 155 Ų | 155 | 136.6 Ų | 136.6 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -38.7 | 158.9 | 167 | -71.3 | 175.3 | 0 | 0 | 0 | 115.9 | ||||
| 474 | P | 44.3 | Very low | 39.3 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | cis | -153 | 168.3 | 44.9 | 43.1 | -21.8 | 0 | 0 | 0 | 121.4 | ||||
| 475 | V | 31.8 | Very low | 39 | Very low | 140 Ų | 140 | 138.3 Ų | 138.3 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | 30.2 | 126.1 | 141.5 | -177 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 476 | G | 29.6 | Very low | 40.4 | Very low | 68 Ų | 68 | 135.4 Ų | 135.4 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | -174.6 | 75.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 477 | F | 34.6 | Very low | 41.5 | Very low | 209 Ų | 209 | 136.4 Ų | 136.4 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | trans | 66.7 | 163.7 | 154 | -70.2 | -82.3 | 0 | 0 | 0 | 122.3 | ||||
| 478 | Q | 38.2 | Very low | 42.3 | Very low | 184 Ų | 184 | 138.1 Ų | 138.1 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -106.3 | 162 | -170.9 | -57.5 | 170.1 | 10.3 | 0 | 0 | 111.8 | ||||
| 479 | L | 34.8 | Very low | 43.1 | Very low | 166 Ų | 166 | 136 Ų | 136 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | trans | -108.9 | 150 | 156.6 | -87 | 150 | 0 | 0 | 0 | 109.7 | ||||
| 480 | P | 44.8 | Very low | 43.7 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 69% | 0.688 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 161.9 | -159 | 32.8 | -37.4 | 0 | 0 | 0 | 114.6 | ||
| 481 | P | 56.7 | Low | 44 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 151.9 | 172.2 | 29.4 | -35.7 | 0 | 0 | 0 | 112.6 | ||
| 482 | L | 46.8 | Very low | 45 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 149.4 | 175.5 | -71.3 | 161.2 | 0 | 0 | 0 | 111.9 | ||
| 483 | P | 55.6 | Low | 45.6 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -71 | 150.2 | -177.1 | 29.4 | -35.8 | 0 | 0 | 0 | 112.9 | ||
| 484 | P | 58.6 | Low | 46 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 141.9 | 178.4 | 30.5 | -35.1 | 0 | 0 | 0 | 112.5 | ||
| 485 | S | 52.8 | Low | 45.8 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 145.5 | 174.4 | -52.2 | 0 | 0 | 0 | 0 | 112.3 | ||
| 486 | P | 57.8 | Low | 46.7 | Very low | 118 Ų | 118 | 132 Ų | 132 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 154.4 | 179.3 | 29.6 | -35.5 | 0 | 0 | 0 | 112.9 | ||
| 487 | P | 55.1 | Low | 47.3 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 149.4 | -178.5 | 30.5 | -35.7 | 0 | 0 | 0 | 113.2 | ||
| 488 | L | 49.4 | Very low | 47.2 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 142.9 | 173.1 | -70.1 | 166 | 0 | 0 | 0 | 111.4 | T490 | L488-T490 PolarHBondContact O-N 3Š|
| 489 | P | 48.5 | Very low | 47.2 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 116.9 | -178.6 | 29.6 | -34.2 | 0 | 0 | 0 | 112.6 | H491 | P489-H491 PolarHBondContact O-N 3.05Š|
| 490 | T | 46 | Very low | 47 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | trans | -78.6 | 104.9 | 173.9 | -47.9 | 0 | 0 | 0 | 0 | 110.8 | L488 | L488-T490 PolarHBondContact O-N 3Š| ||
| 491 | H | 41.8 | Very low | 46.5 | Very low | 160 Ų | 160 | 139 Ų | 139 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -122.4 | 106 | 171.7 | -171.1 | -84.7 | 0 | 0 | 0 | 112.3 | P489 | P489-H491 PolarHBondContact O-N 3.05Š| ||
| 492 | I | 50.9 | Low | 45.2 | Very low | 137 Ų | 137 | 140.6 Ų | 140.6 | 70% | 0.703 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 126.5 | 175.5 | -63.6 | 164.6 | 0 | 0 | 0 | 108.5 | ||
| 493 | P | 44.3 | Very low | 44.2 | Very low | 101 Ų | 101 | 137 Ų | 137 | 66% | 0.656 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 140.5 | 175.1 | 29.2 | -34 | 0 | 0 | 0 | 111.1 | ||
| 494 | P | 43.8 | Very low | 43 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 138.3 | -176.3 | 28.5 | -34.9 | 0 | 0 | 0 | 112.7 | ||
| 495 | S | 40.6 | Very low | 41.7 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 144.1 | 171.5 | -63 | 0 | 0 | 0 | 0 | 111.8 | ||
| 496 | P | 50.5 | Low | 40.8 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 146.5 | 174.8 | 29 | -35 | 0 | 0 | 0 | 111.6 | R498 | P496-R498 PolarHBondContact O-N 2.79Š|
| 497 | P | 41.3 | Very low | 39.5 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 124.4 | -175.3 | 27.5 | -34.4 | 0 | 0 | 0 | 112.5 | ||
| 498 | R | 33.7 | Very low | 38.4 | Very low | 244 Ų | 244 | 143.2 Ų | 143.2 | 92% | 0.921 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 118.1 | 159.6 | -74.4 | 179.6 | 96.6 | -121.2 | 9.4 | 109.1 | P496 | P496-R498 PolarHBondContact O-N 2.79Š|
| 499 | Q | 37.7 | Very low | 37.6 | Very low | 187 Ų | 187 | 142.2 Ų | 142.2 | 87% | 0.874 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 161.4 | 153.1 | -70.9 | -166.8 | -33.9 | 0 | 0 | 110.1 | ||
| 500 | H | 30.3 | Very low | 37 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | trans | -98.9 | 177.2 | -158.5 | 68.7 | -95 | 0 | 0 | 0 | 113.9 | H502 | H500-H502 AromaticContact CD2-CD2 3.67Å; H500-H502 AromaticContact NE2-CD2 3.72Å | ||
| 501 | M | 34.6 | Very low | 36.2 | Very low | 166 Ų | 166 | 142.7 Ų | 142.7 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | -103.2 | 129.1 | -170.7 | -60.5 | -116.1 | 69.7 | 0 | 0 | 112.8 | ||||
| 502 | H | 28.6 | Very low | 35.9 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 72% | 0.718 | 74% | 0.739 | S | S | * | * | trans | -159.4 | 149.2 | 158.8 | -79 | -61 | 0 | 0 | 0 | 109.4 | H500 | H500-H502 AromaticContact CD2-CD2 3.67Å; H500-H502 AromaticContact NE2-CD2 3.72Å | ||
| 503 | T | 27.5 | Very low | 35.7 | Very low | 91 Ų | 91 | 144.9 Ų | 144.9 | 56% | 0.558 | 74% | 0.743 | S | S | * | * | -164.1 | 161.7 | -50.2 | 16.8 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 504 | H | 30.6 | Very low | 35.2 | Very low | 164 Ų | 164 | 148.2 Ų | 148.2 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | trans | 70.6 | 158.2 | 171.5 | -30.7 | -80 | 0 | 0 | 0 | 116.2 | ||||
| 505 | H | 30.4 | Very low | 35.5 | Very low | 153 Ų | 153 | 148.4 Ų | 148.4 | 71% | 0.708 | 75% | 0.751 | S | S | * | * | cis | -160.5 | 148.2 | -7.2 | -143.1 | 21.6 | 0 | 0 | 0 | 113.3 | ||||
| 506 | L | 34.5 | Very low | 35.2 | Very low | 126 Ų | 126 | 150.7 Ų | 150.7 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | trans | 59.9 | 167.2 | 155.7 | -64.6 | 175.3 | 0 | 0 | 0 | 119.1 | ||||
| 507 | H | 29.8 | Very low | 35.2 | Very low | 139 Ų | 139 | 150.3 Ų | 150.3 | 64% | 0.644 | 75% | 0.751 | S | S | * | * | cis | -152.3 | 135.6 | 6.7 | -150 | 68.3 | 0 | 0 | 0 | 112.4 | ||||
| 508 | H | 33 | Very low | 35 | Very low | 140 Ų | 140 | 153.1 Ų | 153.1 | 65% | 0.648 | 75% | 0.753 | S | S | * | * | trans | 45.6 | 173.3 | 153.3 | -70.6 | 84.3 | 0 | 0 | 0 | 122.9 | ||||
| 509 | Q | 31.7 | Very low | 35.8 | Very low | 139 Ų | 139 | 146.9 Ų | 146.9 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | 171.8 | 155.7 | -58.2 | -98.1 | -76.1 | 10.2 | 0 | 0 | 110.3 | |||||
| 510 | H | 35.3 | Very low | 35.6 | Very low | 154 Ų | 154 | 145.7 Ų | 145.7 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | trans | 67 | 157.5 | 166.6 | -49.2 | -41 | 0 | 0 | 0 | 117.8 | ||||
| 511 | S | 29.1 | Very low | 36.6 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | cis | -162.1 | 169.5 | -15.3 | -106.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 512 | Y | 36.2 | Very low | 36.4 | Very low | 219 Ų | 219 | 143.2 Ų | 143.2 | 86% | 0.859 | 74% | 0.741 | S | S | * | * | trans | -87.6 | 157.6 | 171.5 | -95.1 | -87.7 | 0 | 0 | 0 | 112.4 | ||||
| 513 | P | 47.2 | Very low | 36.7 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | -155.2 | -171.8 | 86 | 41 | -19.2 | 0 | 0 | 0 | 118 | |||||
| 514 | H | 33.9 | Very low | 36.8 | Very low | 172 Ų | 172 | 147.3 Ų | 147.3 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | trans | -95.6 | 172 | 173 | -108.6 | 24.4 | 0 | 0 | 0 | 111.6 | ||||
| 515 | P | 49.8 | Very low | 37 | Very low | 124 Ų | 124 | 145.8 Ų | 145.8 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | cis | -153.4 | -158.1 | 48.2 | 43.6 | -19.5 | 0 | 0 | 0 | 118.2 | ||||
| 516 | L | 32.7 | Very low | 38.4 | Very low | 158 Ų | 158 | 143.4 Ų | 143.4 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | trans | -92.4 | -169.1 | 174.7 | -62.5 | 167 | 0 | 0 | 0 | 111.9 | ||||
| 517 | P | 51.5 | Low | 39.1 | Very low | 108 Ų | 108 | 142.8 Ų | 142.8 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | cis | -143.8 | 168.4 | -0.6 | 43.8 | -25.1 | 0 | 0 | 0 | 119.7 | ||||
| 518 | Q | 37.6 | Very low | 39.4 | Very low | 184 Ų | 184 | 141.6 Ų | 141.6 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | 44.4 | 178.5 | 146.4 | -68 | -157.6 | 32.1 | 0 | 0 | 122.3 | ||||
| 519 | P | 50.1 | Low | 40.5 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | cis | -124.4 | -157.5 | -9.5 | 42.3 | -24.1 | 0 | 0 | 0 | 114.5 | ||||
| 520 | I | 33.7 | Very low | 40.3 | Very low | 162 Ų | 162 | 140.8 Ų | 140.8 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | trans | -145.3 | 132.3 | -172 | -51.3 | 157.8 | 0 | 0 | 0 | 112 | ||||
| 521 | P | 50.6 | Low | 40.4 | Very low | 110 Ų | 110 | 139.7 Ų | 139.7 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | trans | -158.6 | 157.3 | 132.5 | 39.1 | -20.6 | 0 | 0 | 0 | 119.2 | ||||
| 522 | M | 31.2 | Very low | 40.4 | Very low | 164 Ų | 164 | 143.4 Ų | 143.4 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | 65.2 | 160.5 | 148 | -60.9 | -100.9 | 93 | 0 | 0 | 120.3 | ||||
| 523 | L | 35.2 | Very low | 40.1 | Very low | 135 Ų | 135 | 137.6 Ų | 137.6 | 71% | 0.707 | 78% | 0.779 | S | S | * | * | cis | -176.8 | 125.2 | -25.5 | 167.6 | 65.8 | 0 | 0 | 0 | 110.1 | ||||
| 524 | F | 28.6 | Very low | 39.5 | Very low | 196 Ų | 196 | 137.9 Ų | 137.9 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -172.3 | 158.6 | 146.7 | -133.3 | -100.7 | 0 | 0 | 0 | 114 | ||||
| 525 | D | 33.8 | Very low | 39.5 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | -169.2 | 168.3 | -178.3 | -163.3 | 49.3 | 0 | 0 | 0 | 107.9 | ||||
| 526 | P | 61.6 | Low | 38.9 | Very low | 102 Ų | 102 | 143.8 Ų | 143.8 | 66% | 0.662 | 79% | 0.787 | S | S | * | * | cis | -105.4 | -132.4 | -8.8 | 38.2 | -20.5 | 0 | 0 | 0 | 111.3 | ||||
| 527 | P | 48 | Very low | 39.4 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | cis | -125.7 | -167.8 | 26.1 | 44.6 | -28.7 | 0 | 0 | 0 | 116.4 | ||||
| 528 | S | 36.8 | Very low | 39.3 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -156.8 | -174.7 | 170.1 | -64.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 529 | P | 55.8 | Low | 40.4 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | cis | -134.1 | -179.7 | -7.1 | 43.2 | -27.6 | 0 | 0 | 0 | 114.7 | ||||
| 530 | T | 28.4 | Very low | 41.4 | Very low | 148 Ų | 148 | 134.8 Ų | 134.8 | 91% | 0.908 | 76% | 0.76 | S | S | * | * | trans | -143.2 | 156.3 | 154.8 | -49.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 531 | V | 36.9 | Very low | 43.6 | Very low | 131 Ų | 131 | 130.3 Ų | 130.3 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | trans | -110.5 | 140.7 | -171.9 | 173.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 532 | E | 29.7 | Very low | 44.3 | Very low | 189 Ų | 189 | 131.2 Ų | 131.2 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | trans | -150.9 | 178.2 | 152.3 | -132.6 | -164.6 | 107.6 | 0 | 0 | 113.9 | ||||
| 533 | S | 28.6 | Very low | 46.3 | Very low | 97 Ų | 97 | 128.7 Ų | 128.7 | 68% | 0.678 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 161.4 | -156.9 | -81.9 | 0 | 0 | 0 | 0 | 116.7 | Q535 | S533-Q535 PolarHBondContact O-N 2.78Š|
| 534 | P | 35.3 | Very low | 48.3 | Very low | 128 Ų | 128 | 124.9 Ų | 124.9 | 83% | 0.831 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 118.5 | -170.6 | 28.8 | -36 | 0 | 0 | 0 | 113.8 | ||
| 535 | Q | 33.2 | Very low | 50.4 | Low | 185 Ų | 185 | 120.9 Ų | 120.9 | 86% | 0.864 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 142.4 | 161.4 | -69.7 | -170.4 | -13.4 | 0 | 0 | 110.7 | S533 | S533-Q535 PolarHBondContact O-N 2.78Š|
| 536 | R | 37.9 | Very low | 52.2 | Low | 235 Ų | 235 | 118.6 Ų | 118.6 | 89% | 0.887 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 130.8 | 170.4 | -67.2 | -178.3 | 177.6 | 114.4 | -2.4 | 109.1 | A538 | R536-A538 PolarHBondContact O-N 3.06Š|
| 537 | P | 42.8 | Very low | 52.5 | Low | 116 Ų | 116 | 119.3 Ų | 119.3 | 75% | 0.753 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 138.6 | 167.6 | 27.2 | -33.3 | 0 | 0 | 0 | 109.2 | ||
| 538 | A | 49.7 | Very low | 53.5 | Low | 82 Ų | 82 | 121.5 Ų | 121.5 | 68% | 0.678 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 145.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | R536 V540 | R536-A538 PolarHBondContact O-N 3.06Å; A538-V540 PolarHBondContact O-N 2.98Å |
| 539 | P | 60.9 | Low | 54.7 | Low | 125 Ų | 125 | 119.7 Ų | 119.7 | 81% | 0.812 | 66% | 0.658 | S | S | * | * | trans | -58.5 | 114.5 | -175.7 | 23.2 | -33.5 | 0 | 0 | 0 | 110.4 | P541 | P539-P541 WeakPolarHBondContact O-CD 3.29Š| ||
| 540 | V | 71.4 | Confident | 55 | Low | 52 Ų | 52 | 121.3 Ų | 121.3 | 32% | 0.315 | 66% | 0.659 | S | S | . | * | trans | -61 | 123.2 | -178.8 | 175.3 | 0 | 0 | 0 | 0 | 108.4 | A538 L542 I544 M545 | A538-V540 PolarHBondContact O-N 2.98Å; V540-L542 PolarHBondContact O-N 3.47Å; V540-I544 HydrophobicContact CG1-CB 3.63Å; V540-I544 HydrophobicContact CG1-CG2 3.6Å; V540-M545 HydrophobicContact CB-CG 4.03Å; V540-M545 HydrophobicContact CG1-CG 3.89Å | ||
| 541 | P | 79.8 | Confident | 56.1 | Low | 67 Ų | 67 | 118.6 Ų | 118.6 | 44% | 0.435 | 65% | 0.646 | S | S | . | * | trans | -52.7 | 141.6 | -177.7 | -30.2 | 35.6 | 0 | 0 | 0 | 112.6 | P539 H543 I544 M545 | P539-P541 WeakPolarHBondContact O-CD 3.29Å; P541-H543 PolarHBondContact O-N 3.05Å; P541-I544 HydrophobicContact CB-CG1 4.47Å; P541-I544 HydrophobicContact CG-CD1 4.45Å; P541-I544 WeakPolarHBondContact O-CA 3.18Å; P541-I544 WeakPolarHBondContact O-CB 3.46Å; P541-I544 PolarHBondContact O-N 3.13Å; P541-M545 PolarHBondContact O-N 2.8Å; P541-M545 VanDerWaalsContact O-N 3.13Å | ||
| 542 | L | 64.6 | Low | 56.6 | Low | 130 Ų | 130 | 116.4 Ų | 116.4 | 68% | 0.681 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -50.3 | -40.4 | -171.9 | -164.4 | 90.3 | 0 | 0 | 0 | 112.7 | V540 I544 M545 I546 | V540-L542 PolarHBondContact O-N 3.47Å; L542-I544 VanDerWaalsContact C-N 3.32Å; L542-I544 PolarHBondContact O-N 3.49Å; L542-M545 PolarHBondContact O-N 3.42Å; L542-I546 HydrophobicContact CD2-CD1 3.86Å; L542-I546 HydrophobicContact CG-CD1 3.91Å; L542-I546 WeakPolarHBondContact O-CB 3.34Å; L542-I546 VanDerWaalsContact O-CG1 3.28Å; L542-I546 WeakPolarHBondContact O-CG1 3.28Å; L542-I546 PolarHBondContact O-N 2.87Å |
| 543 | H | 73.3 | Confident | 57.7 | Low | 110 Ų | 110 | 113.7 Ų | 113.7 | 51% | 0.509 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -65.2 | -31.1 | 178.3 | 73.7 | 82.4 | 0 | 0 | 0 | 113.4 | P541 Q547 | P541-H543 PolarHBondContact O-N 3.05Å; H543-Q547 VanDerWaalsContact O-CB 3.27Å; H543-Q547 WeakPolarHBondContact O-CB 3.27Å; H543-Q547 WeakPolarHBondContact O-CG 3.35Å; H543-Q547 PolarHBondContact O-N 3.25Å |
| 544 | I | 76.6 | Confident | 58.6 | Low | 56 Ų | 56 | 111.7 Ų | 111.7 | 29% | 0.287 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -76.6 | -37.2 | 175.1 | -55.5 | -173.4 | 0 | 0 | 0 | 110.2 | V540 P541 L542 Q547 R548 | V540-I544 HydrophobicContact CG1-CB 3.63Å; V540-I544 HydrophobicContact CG1-CG2 3.6Å; P541-I544 HydrophobicContact CB-CG1 4.47Å; P541-I544 HydrophobicContact CG-CD1 4.45Å; P541-I544 WeakPolarHBondContact O-CA 3.18Å; P541-I544 WeakPolarHBondContact O-CB 3.46Å; P541-I544 PolarHBondContact O-N 3.13Å; L542-I544 VanDerWaalsContact C-N 3.32Å; L542-I544 PolarHBondContact O-N 3.49Å; I544-Q547 PolarHBondContact O-N 3.38Å; I544-R548 HydrophobicContact CG2-CG 4.44Å; I544-R548 WeakPolarHBondContact O-CB 3.44Å; I544-R548 VanDerWaalsContact O-CG 3.3Å; I544-R548 WeakPolarHBondContact O-CG 3.47Å; I544-R548 PolarHBondContact O-N 3.47Å |
| 545 | M | 73.7 | Confident | 59.2 | Low | 112 Ų | 112 | 112 Ų | 112 | 55% | 0.552 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -60.5 | -46.7 | 171.2 | -67.6 | -180 | 63.2 | 0 | 0 | 111.1 | V540 P541 L542 R548 A549 | V540-M545 HydrophobicContact CB-CG 4.03Å; V540-M545 HydrophobicContact CG1-CG 3.89Å; P541-M545 PolarHBondContact O-N 2.8Å; P541-M545 VanDerWaalsContact O-N 3.13Å; L542-M545 PolarHBondContact O-N 3.42Å; M545-R548 PolarHBondContact O-N 3.34Å; M545-A549 WeakPolarHBondContact O-CB 3.43Å; M545-A549 PolarHBondContact O-N 3.38Å |
| 546 | I | 71.1 | Confident | 59.2 | Low | 84 Ų | 84 | 108 Ų | 108 | 43% | 0.431 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -62.2 | -46.9 | 175.8 | -69.3 | 164.6 | 0 | 0 | 0 | 110.9 | L542 R548 A549 L550 | L542-I546 HydrophobicContact CD2-CD1 3.86Å; L542-I546 HydrophobicContact CG-CD1 3.91Å; L542-I546 WeakPolarHBondContact O-CB 3.34Å; L542-I546 VanDerWaalsContact O-CG1 3.28Å; L542-I546 WeakPolarHBondContact O-CG1 3.28Å; L542-I546 PolarHBondContact O-N 2.87Å; I546-R548 VanDerWaalsContact C-N 3.31Å; I546-R548 PolarHBondContact O-N 3.08Å; I546-A549 PolarHBondContact O-N 3.33Å; I546-L550 HydrophobicContact CG2-CD1 3.68Å; I546-L550 HydrophobicContact CG2-CG 4.31Å; I546-L550 WeakPolarHBondContact O-CB 3.28Å; I546-L550 VanDerWaalsContact O-CG 3.26Å; I546-L550 WeakPolarHBondContact O-CG 3.46Å; I546-L550 PolarHBondContact O-N 2.88Å |
| 547 | Q | 68.8 | Low | 59.2 | Low | 117 Ų | 117 | 105.4 Ų | 105.4 | 55% | 0.547 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -61.2 | -37.6 | 176.9 | -77.2 | 165.3 | -8.9 | 0 | 0 | 112.4 | H543 I544 S551 | H543-Q547 VanDerWaalsContact O-CB 3.27Å; H543-Q547 WeakPolarHBondContact O-CB 3.27Å; H543-Q547 WeakPolarHBondContact O-CG 3.35Å; H543-Q547 PolarHBondContact O-N 3.25Å; I544-Q547 PolarHBondContact O-N 3.38Å; Q547-S551 WeakPolarHBondContact O-CB 3.48Å; Q547-S551 PolarHBondContact O-N 2.82Å; Q547-S551 VanDerWaalsContact O-N 3.17Å; Q547-S551 PolarHBondContact O-OG 3.01Å |
| 548 | R | 68.4 | Low | 59.1 | Low | 161 Ų | 161 | 105 Ų | 105 | 61% | 0.608 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69 | -43.3 | 174.7 | -75.7 | 175.1 | 173.6 | -178.6 | -2.5 | 112.1 | I544 M545 I546 L550 S551 S552 | I544-R548 HydrophobicContact CG2-CG 4.44Å; I544-R548 WeakPolarHBondContact O-CB 3.44Å; I544-R548 VanDerWaalsContact O-CG 3.3Å; I544-R548 WeakPolarHBondContact O-CG 3.47Å; I544-R548 PolarHBondContact O-N 3.47Å; M545-R548 PolarHBondContact O-N 3.34Å; I546-R548 VanDerWaalsContact C-N 3.31Å; I546-R548 PolarHBondContact O-N 3.08Å; R548-L550 VanDerWaalsContact C-N 3.32Å; R548-L550 PolarHBondContact O-N 2.87Å; R548-S551 PolarHBondContact O-N 3.3Å; R548-S551 PolarHBondContact O-OG 3.46Å; R548-S552 WeakPolarHBondContact O-CB 3.45Å; R548-S552 PolarHBondContact O-N 3.02Å |
| 549 | A | 61.5 | Low | 58.1 | Low | 75 Ų | 75 | 109.1 Ų | 109.1 | 62% | 0.62 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -61.6 | -39.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M545 I546 S551 | M545-A549 WeakPolarHBondContact O-CB 3.43Å; M545-A549 PolarHBondContact O-N 3.38Å; I546-A549 PolarHBondContact O-N 3.33Å; A549-S551 VanDerWaalsContact C-N 3.3Å; A549-S551 PolarHBondContact O-N 3.03Å |
| 550 | L | 63 | Low | 57.5 | Low | 147 Ų | 147 | 108.4 Ų | 108.4 | 77% | 0.77 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -6.8 | 177.8 | -66.6 | 173.9 | 0 | 0 | 0 | 114.5 | I546 R548 | I546-L550 HydrophobicContact CG2-CD1 3.68Å; I546-L550 HydrophobicContact CG2-CG 4.31Å; I546-L550 WeakPolarHBondContact O-CB 3.28Å; I546-L550 VanDerWaalsContact O-CG 3.26Å; I546-L550 WeakPolarHBondContact O-CG 3.46Å; I546-L550 PolarHBondContact O-N 2.88Å; R548-L550 VanDerWaalsContact C-N 3.32Å; R548-L550 PolarHBondContact O-N 2.87Å |
| 551 | S | 52 | Low | 55.9 | Low | 91 Ų | 91 | 113.4 Ų | 113.4 | 64% | 0.636 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.6 | -1.3 | 178.7 | 55.2 | 0 | 0 | 0 | 0 | 114.5 | Q547 R548 A549 P553 | Q547-S551 WeakPolarHBondContact O-CB 3.48Å; Q547-S551 PolarHBondContact O-N 2.82Å; Q547-S551 VanDerWaalsContact O-N 3.17Å; Q547-S551 PolarHBondContact O-OG 3.01Å; R548-S551 PolarHBondContact O-N 3.3Å; R548-S551 PolarHBondContact O-OG 3.46Å; A549-S551 VanDerWaalsContact C-N 3.3Å; A549-S551 PolarHBondContact O-N 3.03Å; S551-P553 WeakPolarHBondContact O-CD 3.3Å |
| 552 | S | 47.4 | Very low | 53.9 | Low | 85 Ų | 85 | 113.9 Ų | 113.9 | 59% | 0.594 | 67% | 0.669 | S | S | * | * | trans | -87.1 | 119.1 | 174.6 | -172.8 | 0 | 0 | 0 | 0 | 111.6 | R548 G554 | R548-S552 WeakPolarHBondContact O-CB 3.45Å; R548-S552 PolarHBondContact O-N 3.02Å; S552-G554 PolarHBondContact O-N 2.85Å | ||
| 553 | P | 52.7 | Low | 52.7 | Low | 133 Ų | 133 | 112.1 Ų | 112.1 | 86% | 0.864 | 67% | 0.673 | S | S | * | * | trans | -93.3 | 85 | 179 | 35.3 | -31.5 | 0 | 0 | 0 | 111.8 | S551 | S551-P553 WeakPolarHBondContact O-CD 3.3Š| ||
| 554 | G | 46.8 | Very low | 51 | Low | 55 Ų | 55 | 115.5 Ų | 115.5 | 57% | 0.567 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -178.3 | 145.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S552 | S552-G554 PolarHBondContact O-N 2.85Š|
| 555 | P | 46.8 | Very low | 49.3 | Very low | 135 Ų | 135 | 122.6 Ų | 122.6 | 88% | 0.877 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 138.3 | 177 | 32.6 | -33.5 | 0 | 0 | 0 | 111.6 | ||
| 556 | A | 33.6 | Very low | 47.2 | Very low | 100 Ų | 100 | 121.2 Ų | 121.2 | 83% | 0.826 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 132.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 557 | Q | 39 | Very low | 45.5 | Very low | 180 Ų | 180 | 124.1 Ų | 124.1 | 84% | 0.841 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 140.2 | 170.8 | -76.3 | -77.2 | 3.1 | 0 | 0 | 110.4 | ||
| 558 | P | 39.3 | Very low | 43.9 | Very low | 109 Ų | 109 | 123.1 Ų | 123.1 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 138 | 168.9 | 30.2 | -33.3 | 0 | 0 | 0 | 110.7 | ||
| 559 | H | 30 | Very low | 42.5 | Very low | 167 Ų | 167 | 123.5 Ų | 123.5 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 131.3 | 172.1 | -175.2 | -74.2 | 0 | 0 | 0 | 110.1 | D561 | H559-D561 PolarHBondContact O-N 2.92Š|
| 560 | P | 46.9 | Very low | 41.2 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | trans | -84.8 | 98.1 | 175.4 | 33 | -31 | 0 | 0 | 0 | 110.6 | ||||
| 561 | D | 38.3 | Very low | 39.9 | Very low | 158 Ų | 158 | 128 Ų | 128 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | trans | -167.2 | 156.7 | 130.4 | -129.6 | -37 | 0 | 0 | 0 | 112.4 | H559 | H559-D561 PolarHBondContact O-N 2.92Š| ||
| 562 | G | 38 | Very low | 38.8 | Very low | 77 Ų | 77 | 132.5 Ų | 132.5 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | 135.4 | 24.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 563 | A | 39.7 | Very low | 38.5 | Very low | 93 Ų | 93 | 135 Ų | 135 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -111.3 | 101.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 564 | Q | 38.5 | Very low | 38 | Very low | 180 Ų | 180 | 134.3 Ų | 134.3 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | trans | -138.8 | 112.3 | 157.1 | -64.7 | -165.1 | 9.8 | 0 | 0 | 108 | ||||
| 565 | R | 39.3 | Very low | 37.8 | Very low | 206 Ų | 206 | 137.3 Ų | 137.3 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | 77 | 129.4 | 102.4 | -173.7 | 179 | -87.1 | -135 | -2.5 | 111.5 | |||||
| 566 | A | 31 | Very low | 37.3 | Very low | 82 Ų | 82 | 138.9 Ų | 138.9 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | cis | -132.1 | 135.3 | 35.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 567 | H | 34.2 | Very low | 37.1 | Very low | 145 Ų | 145 | 144 Ų | 144 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | 74.2 | 116.3 | 99.2 | -66.1 | -37.3 | 0 | 0 | 0 | 115 | |||||
| 568 | A | 35.3 | Very low | 36.6 | Very low | 97 Ų | 97 | 142 Ų | 142 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | -105.7 | 155.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 569 | L | 38.4 | Very low | 36.2 | Very low | 169 Ų | 169 | 142.8 Ų | 142.8 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | trans | 175.3 | 138.5 | 147.7 | -100.2 | 170.9 | 0 | 0 | 0 | 108.5 | ||||
| 570 | L | 34.9 | Very low | 36.2 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | trans | 158.1 | 112.1 | 143.7 | -86 | 159.7 | 0 | 0 | 0 | 110.3 | ||||
| 571 | F | 35 | Very low | 35.6 | Very low | 179 Ų | 179 | 145.8 Ų | 145.8 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | 65.1 | 120.2 | 170.1 | -40.7 | -59.4 | 0 | 0 | 0 | 116.1 | ||||
| 572 | E | 30.5 | Very low | 35.3 | Very low | 186 Ų | 186 | 141.9 Ų | 141.9 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | cis | 76.5 | 112.5 | 17.5 | -151.7 | 169.1 | -168.3 | 0 | 0 | 115.1 | ||||
| 573 | T | 39.9 | Very low | 35 | Very low | 137 Ų | 137 | 149.6 Ų | 149.6 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | -114.1 | 141.9 | -172.6 | 24.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 574 | P | 41.8 | Very low | 34.8 | Very low | 118 Ų | 118 | 151.2 Ų | 151.2 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | trans | -92.8 | 167.2 | 170.3 | 36.2 | -33.1 | 0 | 0 | 0 | 113.7 | ||||
| 575 | P | 44 | Very low | 34.6 | Very low | 118 Ų | 118 | 150.3 Ų | 150.3 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | trans | -107.6 | -173.6 | -159 | 41.6 | -36.9 | 0 | 0 | 0 | 117.2 | ||||
| 576 | E | 35.6 | Very low | 34.4 | Very low | 169 Ų | 169 | 146.5 Ų | 146.5 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -64.4 | 159.1 | -170.2 | -59 | 96.5 | 131.5 | 0 | 0 | 117.7 | ||||
| 577 | Y | 29 | Very low | 34.4 | Very low | 208 Ų | 208 | 148.9 Ų | 148.9 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | trans | -153.8 | -170 | 136.8 | -133.6 | -101.8 | 0 | 0 | 0 | 114.2 | ||||
| 578 | Q | 30.1 | Very low | 34.4 | Very low | 136 Ų | 136 | 147.3 Ų | 147.3 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | trans | -113.1 | 155.3 | -148.3 | -58.7 | 174.1 | 1.9 | 0 | 0 | 117.2 | ||||
| 579 | V | 30.9 | Very low | 34.9 | Very low | 126 Ų | 126 | 150.2 Ų | 150.2 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | trans | 51.5 | 125.4 | 134.7 | 173.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 580 | D | 30 | Very low | 35.1 | Very low | 123 Ų | 123 | 149.9 Ų | 149.9 | 66% | 0.658 | 79% | 0.788 | S | S | * | * | -165.2 | -177.7 | 107.2 | -146.1 | -4.2 | 0 | 0 | 0 | 114.6 | |||||
| 581 | R | 33 | Very low | 35.6 | Very low | 218 Ų | 218 | 149.2 Ų | 149.2 | 82% | 0.823 | 79% | 0.791 | S | S | * | * | trans | -63 | 154.5 | -167 | -47.2 | 114.1 | -163.9 | -97.8 | -1 | 116.3 | ||||
| 582 | G | 32.1 | Very low | 35.8 | Very low | 75 Ų | 75 | 148.4 Ų | 148.4 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -103.7 | 174 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 583 | R | 32.8 | Very low | 36.2 | Very low | 240 Ų | 240 | 149.1 Ų | 149.1 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | trans | -144.9 | 137.6 | 160.3 | -74.2 | -175.3 | 178.3 | -90.4 | 2 | 108.8 | ||||
| 584 | P | 35.6 | Very low | 36.2 | Very low | 127 Ų | 127 | 150.4 Ų | 150.4 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -82.1 | 149 | 169.7 | 33.4 | -33 | 0 | 0 | 0 | 111.4 | ||||
| 585 | L | 32.7 | Very low | 35.9 | Very low | 161 Ų | 161 | 149.7 Ų | 149.7 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -111.5 | 145.2 | 162.6 | -75.7 | 172.1 | 0 | 0 | 0 | 109.2 | ||||
| 586 | P | 36.3 | Very low | 35.8 | Very low | 125 Ų | 125 | 153.4 Ų | 153.4 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -79.1 | 135.5 | -177.7 | 31.9 | -33.8 | 0 | 0 | 0 | 111.5 | ||||
| 587 | V | 31.3 | Very low | 36.3 | Very low | 132 Ų | 132 | 152 Ų | 152 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | trans | -123.8 | 115.6 | 168.2 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 588 | S | 33.5 | Very low | 37.1 | Very low | 113 Ų | 113 | 149.4 Ų | 149.4 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 121.9 | 174 | 54.4 | 0 | 0 | 0 | 0 | 110.3 | ||
| 589 | I | 45.2 | Very low | 37.5 | Very low | 157 Ų | 157 | 154.2 Ų | 154.2 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 120.4 | 173.3 | -58 | 174.1 | 0 | 0 | 0 | 108.5 | ||
| 590 | Q | 43 | Very low | 37.8 | Very low | 163 Ų | 163 | 153.5 Ų | 153.5 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 132.5 | 159.6 | -70.6 | -170.2 | 4.2 | 0 | 0 | 108.8 | L592 | Q590-L592 PolarHBondContact O-N 3.29Š|
| 591 | P | 45 | Very low | 38.1 | Very low | 122 Ų | 122 | 155.8 Ų | 155.8 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | trans | -73.5 | 107.1 | 172.2 | 29.4 | -32 | 0 | 0 | 0 | 109.6 | ||||
| 592 | L | 39.5 | Very low | 38.4 | Very low | 162 Ų | 162 | 154.2 Ų | 154.2 | 85% | 0.848 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 139.5 | 165.5 | -75.9 | 167.8 | 0 | 0 | 0 | 109.5 | Q590 | Q590-L592 PolarHBondContact O-N 3.29Š|
| 593 | K | 39.8 | Very low | 38.7 | Very low | 202 Ų | 202 | 155.3 Ų | 155.3 | 88% | 0.878 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 138.4 | 174.5 | -60.6 | 173.2 | -178 | 178.5 | 0 | 108.7 | ||
| 594 | L | 39.6 | Very low | 39 | Very low | 164 Ų | 164 | 149.3 Ų | 149.3 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 146.9 | 164.4 | -61.1 | 176.9 | 0 | 0 | 0 | 108.1 | ||
| 595 | S | 35 | Very low | 39 | Very low | 103 Ų | 103 | 152.4 Ų | 152.4 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 150.4 | 176 | 41.9 | 0 | 0 | 0 | 0 | 111.3 | D597 | S595-D597 VanDerWaalsContact C-N 3.27Å; S595-D597 PolarHBondContact O-N 3.12Å |
| 596 | E | 42.2 | Very low | 39.3 | Very low | 195 Ų | 195 | 153.4 Ų | 153.4 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -94.5 | 44.6 | -173.8 | -67.1 | 173.1 | 99 | 0 | 0 | 111.1 | ||
| 597 | D | 46.8 | Very low | 39.6 | Very low | 139 Ų | 139 | 154.5 Ų | 154.5 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | -132.3 | 62.9 | -166.6 | -60.1 | -77.9 | 0 | 0 | 0 | 112.6 | S595 | S595-D597 VanDerWaalsContact C-N 3.27Å; S595-D597 PolarHBondContact O-N 3.12Å | ||
| 598 | D | 44.9 | Very low | 39.8 | Very low | 154 Ų | 154 | 156.1 Ų | 156.1 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -156.5 | 40.2 | 167.8 | -149.2 | 7.9 | 0 | 0 | 0 | 112.8 | ||||
| 599 | Y | 39.3 | Very low | 39.9 | Very low | 237 Ų | 237 | 160 Ų | 160 | 93% | 0.929 | 80% | 0.802 | S | S | * | * | trans | -126.8 | 75.6 | 177.5 | -87.2 | -75.2 | 0 | 0 | 0 | 111.1 | ||||
| 600 | S | 35.9 | Very low | 39.5 | Very low | 112 Ų | 112 | 161.7 Ų | 161.7 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -83.9 | 113.1 | 168.3 | -62.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 601 | E | 35.8 | Very low | 39.2 | Very low | 170 Ų | 170 | 163.5 Ų | 163.5 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | -96.1 | 110.7 | 170.8 | -176.7 | 164.3 | -170.7 | 0 | 0 | 108.8 | E603 | E601-E603 PolarHBondContact O-N 3.06Š| ||
| 602 | E | 40 | Very low | 39 | Very low | 186 Ų | 186 | 166.4 Ų | 166.4 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | trans | -93.1 | 83.3 | -177.4 | -70.1 | -178.9 | -127 | 0 | 0 | 112.4 | ||||
| 603 | E | 37.9 | Very low | 38.5 | Very low | 97 Ų | 97 | 168.2 Ų | 168.2 | 45% | 0.453 | 82% | 0.815 | S | S | . | * | trans | -169 | 134.8 | 153.4 | -116.8 | -173.9 | 161.9 | 0 | 0 | 111.5 | E601 R782 | E601-E603 PolarHBondContact O-N 3.06Å; E603-R782 VanDerWaalsContact CD-CD 3.5Å; E603-R782 WeakPolarHBondContact OE1-CD 3.12Å; E603-R782 IonicContact OE1-NE 2.72Å; E603-R782 PolarHBondContact OE1-NE 3.29Å | ||
| 604 | E | 39.8 | Very low | 38.1 | Very low | 114 Ų | 114 | 164.2 Ų | 164.2 | 53% | 0.533 | 80% | 0.803 | S | S | . | * | trans | 71.7 | 137.3 | -177.2 | -44.8 | -174.9 | 141.5 | 0 | 0 | 112.5 | R782 | E604-R782 WeakPolarHBondContact OE1-CD 3.49Å; E604-R782 IonicContact OE1-CZ 3.16Å; E604-R782 IonicContact OE1-NE 3.18Å; E604-R782 IonicContact OE1-NH1 2.67Å; E604-R782 PolarHBondContact OE1-NH1 3.25Å | ||
| 605 | E | 34.9 | Very low | 37.8 | Very low | 192 Ų | 192 | 159.3 Ų | 159.3 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | cis | -132.2 | 162.1 | 21.8 | -69.1 | 173.2 | 144 | 0 | 0 | 113.4 | ||||
| 606 | E | 40.3 | Very low | 37.5 | Very low | 182 Ų | 182 | 163.3 Ų | 163.3 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | -137.9 | 148 | 172.8 | -170.6 | 172 | -134 | 0 | 0 | 106 | ||||
| 607 | D | 42.1 | Very low | 36.9 | Very low | 149 Ų | 149 | 161.9 Ų | 161.9 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | 63.3 | 100.6 | -170.4 | -61 | -24.2 | 0 | 0 | 0 | 117.2 | ||||
| 608 | D | 35.2 | Very low | 36.1 | Very low | 166 Ų | 166 | 160.5 Ų | 160.5 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | -172.5 | 165.5 | 112.8 | -105.7 | -26.9 | 0 | 0 | 0 | 112.3 | |||||
| 609 | E | 36.6 | Very low | 35.5 | Very low | 194 Ų | 194 | 161.9 Ų | 161.9 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | trans | 77.8 | 113 | 173.1 | -55.5 | -165.5 | 172.6 | 0 | 0 | 119.2 | ||||
| 610 | E | 36.5 | Very low | 35.7 | Very low | 192 Ų | 192 | 155.8 Ų | 155.8 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -76.9 | 149.3 | 169 | -48.8 | 169.3 | 156.5 | 0 | 0 | 110.5 | ||||
| 611 | E | 36.5 | Very low | 35.3 | Very low | 202 Ų | 202 | 157.7 Ų | 157.7 | 94% | 0.944 | 78% | 0.782 | S | S | * | * | trans | -164.2 | 159 | 131.5 | -116.8 | 177.6 | -151.7 | 0 | 0 | 115 | ||||
| 612 | E | 41 | Very low | 35 | Very low | 182 Ų | 182 | 156.4 Ų | 156.4 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | -78.9 | 128.7 | -170.3 | 170 | -173.6 | 179.6 | 0 | 0 | 114.2 | ||||
| 613 | Y | 29.1 | Very low | 34.6 | Very low | 201 Ų | 201 | 155.2 Ų | 155.2 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | trans | -156.2 | 160.7 | 147.3 | -150.1 | -101.2 | 0 | 0 | 0 | 115.1 | ||||
| 614 | D | 31.3 | Very low | 34.9 | Very low | 118 Ų | 118 | 154.9 Ų | 154.9 | 63% | 0.631 | 78% | 0.781 | S | S | * | * | trans | -89.6 | -178.5 | -179.7 | 77.2 | 68.3 | 0 | 0 | 0 | 114.6 | ||||
| 615 | G | 32.3 | Very low | 34.6 | Very low | 60 Ų | 60 | 159.8 Ų | 159.8 | 62% | 0.619 | 79% | 0.794 | S | S | * | * | trans | 133.9 | 100.7 | 152.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 616 | E | 29.4 | Very low | 34.3 | Very low | 187 Ų | 187 | 155.1 Ų | 155.1 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -64.9 | 147.9 | 175 | -54.8 | 174 | 133.4 | 0 | 0 | 113.4 | ||||
| 617 | I | 29.4 | Very low | 34.2 | Very low | 165 Ų | 165 | 157.2 Ų | 157.2 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -126.3 | 111.2 | 161.9 | -61 | -178.6 | 0 | 0 | 0 | 109.4 | ||||
| 618 | P | 30.9 | Very low | 33.7 | Very low | 111 Ų | 111 | 159.8 Ų | 159.8 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | trans | -80.8 | 149.6 | -177.6 | -16.8 | 32 | 0 | 0 | 0 | 115.8 | ||||
| 619 | Q | 30.7 | Very low | 33.3 | Very low | 182 Ų | 182 | 156.3 Ų | 156.3 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | -92.4 | 169.6 | 144.9 | -75.8 | -163.5 | 14.9 | 0 | 0 | 108.6 | ||||
| 620 | P | 45 | Very low | 33.2 | Very low | 109 Ų | 109 | 154.7 Ų | 154.7 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | cis | -129.7 | -135.1 | 22.1 | 30 | -2.2 | 0 | 0 | 0 | 112.2 | ||||
| 621 | E | 26.3 | Very low | 33 | Very low | 153 Ų | 153 | 151.7 Ų | 151.7 | 72% | 0.715 | 76% | 0.761 | S | S | * | * | cis | -165.7 | 172.7 | 9.8 | -146.7 | -169.9 | 151.1 | 0 | 0 | 113.4 | ||||
| 622 | L | 30.5 | Very low | 32.8 | Very low | 143 Ų | 143 | 145.8 Ų | 145.8 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | trans | 71.2 | 103.3 | 156.4 | -62.2 | -172.5 | 0 | 0 | 0 | 123 | ||||
| 623 | E | 31.8 | Very low | 32.3 | Very low | 160 Ų | 160 | 144.4 Ų | 144.4 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | -48.1 | 174.1 | 138.4 | -124.2 | -146.6 | 103.1 | 0 | 0 | 113.4 | R625 | E623-R625 PolarHBondContact OE1-N 3.33Š| ||
| 624 | P | 43.7 | Very low | 32.6 | Very low | 91 Ų | 91 | 139 Ų | 139 | 59% | 0.591 | 75% | 0.749 | S | S | * | * | cis | -154.4 | 170 | 47.4 | 43 | -20.7 | 0 | 0 | 0 | 121.7 | ||||
| 625 | R | 32.3 | Very low | 32.6 | Very low | 216 Ų | 216 | 136.9 Ų | 136.9 | 82% | 0.815 | 76% | 0.756 | S | S | * | * | trans | 74.1 | 149 | 151.7 | -78.8 | 165.4 | 177.2 | 128.1 | 2.9 | 118 | E623 | E623-R625 PolarHBondContact OE1-N 3.33Š| ||
| 626 | S | 29.3 | Very low | 32.5 | Very low | 94 Ų | 94 | 140.4 Ų | 140.4 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | cis | -157.6 | 136.5 | 15.2 | -158.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 627 | R | 39.1 | Very low | 32.4 | Very low | 226 Ų | 226 | 137.4 Ų | 137.4 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | trans | 66.1 | 153 | 151.4 | -75.8 | 178.5 | 165.8 | -169 | -4.6 | 118.6 | ||||
| 628 | R | 30.3 | Very low | 32.4 | Very low | 203 Ų | 203 | 132.8 Ų | 132.8 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | cis | -156.2 | 139.6 | 7.5 | -133.8 | -175.6 | 90.8 | -165.4 | 10.6 | 111.8 | ||||
| 629 | C | 28.4 | Very low | 32.4 | Very low | 94 Ų | 94 | 135.5 Ų | 135.5 | 64% | 0.635 | 76% | 0.764 | S | S | * | * | trans | 59.7 | 147.3 | 152.7 | -62.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 630 | L | 33.6 | Very low | 32.9 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | cis | -165 | 139.4 | -25.2 | -121 | 171.5 | 0 | 0 | 0 | 106.7 | ||||
| 631 | V | 31.7 | Very low | 31.9 | Very low | 129 Ų | 129 | 130.9 Ų | 130.9 | 78% | 0.782 | 76% | 0.763 | S | S | * | * | trans | -112.1 | 145 | 171 | 171.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 632 | G | 32 | Very low | 31.9 | Very low | 78 Ų | 78 | 133.3 Ų | 133.3 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -114.5 | 142.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 633 | D | 30.6 | Very low | 31.7 | Very low | 154 Ų | 154 | 133.8 Ų | 133.8 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -148.7 | 172.6 | -162.9 | -176.2 | 34.7 | 0 | 0 | 0 | 112.2 | ||||
| 634 | A | 35.9 | Very low | 31.2 | Very low | 86 Ų | 86 | 131.2 Ų | 131.2 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | 81.2 | 138.2 | 152.8 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 635 | G | 32 | Very low | 30.3 | Very low | 75 Ų | 75 | 131.1 Ų | 131.1 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | 138.4 | 128.6 | 148.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 636 | V | 29.4 | Very low | 30 | Very low | 134 Ų | 134 | 128.8 Ų | 128.8 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | cis | -173.4 | 177.2 | -48.9 | 140.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 637 | C | 28.1 | Very low | 29.9 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | 91 | 130.6 | 178.5 | -58.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 638 | G | 29.3 | Very low | 29.6 | Very low | 68 Ų | 68 | 128.6 Ų | 128.6 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | cis | 102.6 | 139.2 | 12.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 639 | L | 31.6 | Very low | 29.6 | Very low | 167 Ų | 167 | 126.8 Ų | 126.8 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | cis | -156.3 | -169 | 14.9 | -72.2 | 172.8 | 0 | 0 | 0 | 108.4 | ||||
| 640 | P | 39.9 | Very low | 29.7 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | -123 | -171.8 | -51.2 | 35.2 | -19.4 | 0 | 0 | 0 | 111.8 | |||||
| 641 | G | 25.1 | Very low | 29.8 | Very low | 72 Ų | 72 | 130.2 Ų | 130.2 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | -115.8 | 153.2 | 158.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 642 | E | 26.5 | Very low | 29.9 | Very low | 204 Ų | 204 | 132.2 Ų | 132.2 | 95% | 0.953 | 78% | 0.783 | S | S | * | * | trans | -79.8 | 159.1 | 179.3 | -72.2 | 169.8 | 97.6 | 0 | 0 | 112.7 | ||||
| 643 | N | 25.1 | Very low | 30 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -121.2 | 174.8 | -161.9 | 55.1 | -9.3 | 0 | 0 | 0 | 114 | ||||
| 644 | S | 21.6 | Very low | 30.1 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -149.4 | 165.6 | 172.8 | -170.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 645 | S | 25 | Very low | 30.2 | Very low | 89 Ų | 89 | 137.7 Ų | 137.7 | 62% | 0.622 | 77% | 0.772 | S | S | * | * | trans | 62.3 | 127.4 | -161.3 | 35.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 646 | E | 26.6 | Very low | 30.2 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | 70.7 | 131.5 | 52.9 | -60.6 | 150.3 | -121.3 | 0 | 0 | 111.2 | |||||
| 647 | E | 27.2 | Very low | 30.5 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 77% | 0.771 | 76% | 0.763 | S | S | * | * | cis | -162.7 | 170.7 | -19.4 | -153 | 158.7 | -134 | 0 | 0 | 108 | ||||
| 648 | E | 32.2 | Very low | 30.7 | Very low | 150 Ų | 150 | 142 Ų | 142 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | 68.7 | 148.8 | 165.4 | -57.4 | -64.8 | -166.7 | 0 | 0 | 122.7 | ||||
| 649 | E | 30.9 | Very low | 30.6 | Very low | 166 Ų | 166 | 146.3 Ų | 146.3 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | 54.7 | 142.9 | 147.5 | -70.7 | 169.1 | -152.2 | 0 | 0 | 122.2 | ||||
| 650 | D | 30.3 | Very low | 30.6 | Very low | 145 Ų | 145 | 144.8 Ų | 144.8 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | cis | -167.9 | -176.8 | -33.1 | -136.4 | -20.7 | 0 | 0 | 0 | 109 | ||||
| 651 | E | 34.2 | Very low | 30.6 | Very low | 180 Ų | 180 | 149.8 Ų | 149.8 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | trans | 66.4 | 144 | 168.5 | -58.2 | -172.7 | 174.3 | 0 | 0 | 117.9 | ||||
| 652 | E | 34.2 | Very low | 31.1 | Very low | 170 Ų | 170 | 155.6 Ų | 155.6 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | cis | -174.8 | 177.7 | -36.6 | -111.8 | -76.9 | -160.6 | 0 | 0 | 106.6 | ||||
| 653 | E | 35.3 | Very low | 31.5 | Very low | 181 Ų | 181 | 153.1 Ų | 153.1 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | trans | 66.9 | 150.2 | 171.5 | -56 | -169.2 | 157.7 | 0 | 0 | 119.7 | ||||
| 654 | D | 31.7 | Very low | 32.1 | Very low | 117 Ų | 117 | 151.7 Ų | 151.7 | 63% | 0.626 | 76% | 0.762 | S | S | * | * | -159.9 | -176.1 | -52.4 | -158.7 | -8 | 0 | 0 | 0 | 108.6 | R656 | D654-R656 IonicContact OD1-CZ 3.36Å; D654-R656 IonicContact OD1-NH1 2.85Å; D654-R656 PolarHBondContact OD1-NH1 3.16Å; D654-R656 IonicContact OD1-NH2 3.27Å; D654-R656 PolarHBondContact OD1-NH2 3.17Å; D654-R656 IonicContact OD2-CZ 3.76Å; D654-R656 IonicContact OD2-NH1 3.81Å; D654-R656 IonicContact OD2-NH2 2.9Å; D654-R656 PolarHBondContact OD2-NH2 3.2Å | |||
| 655 | E | 37.8 | Very low | 33.2 | Very low | 136 Ų | 136 | 154.7 Ų | 154.7 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | trans | 71.2 | 79.6 | 150.9 | -59.5 | -116.5 | 97.1 | 0 | 0 | 119.7 | ||||
| 656 | R | 33.4 | Very low | 33.9 | Very low | 177 Ų | 177 | 156.1 Ų | 156.1 | 67% | 0.668 | 78% | 0.78 | S | S | * | * | 53.1 | 116.1 | 108.5 | -65.8 | 174.9 | -89.5 | -73.5 | 7.9 | 120 | D654 | D654-R656 IonicContact OD1-CZ 3.36Å; D654-R656 IonicContact OD1-NH1 2.85Å; D654-R656 PolarHBondContact OD1-NH1 3.16Å; D654-R656 IonicContact OD1-NH2 3.27Å; D654-R656 PolarHBondContact OD1-NH2 3.17Å; D654-R656 IonicContact OD2-CZ 3.76Å; D654-R656 IonicContact OD2-NH1 3.81Å; D654-R656 IonicContact OD2-NH2 2.9Å; D654-R656 PolarHBondContact OD2-NH2 3.2Å | |||
| 657 | G | 34.1 | Very low | 34.7 | Very low | 70 Ų | 70 | 154 Ų | 154 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | 153.9 | 95.7 | 156 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 658 | Q | 32.8 | Very low | 35.4 | Very low | 177 Ų | 177 | 154.2 Ų | 154.2 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | 62.5 | 124.2 | 61.7 | -65.3 | -163.6 | 98.7 | 0 | 0 | 115.8 | |||||
| 659 | H | 27.7 | Very low | 35.9 | Very low | 158 Ų | 158 | 154.4 Ų | 154.4 | 73% | 0.731 | 78% | 0.782 | S | S | * | * | trans | 64.2 | 144.8 | 170.4 | -78.3 | -118.6 | 0 | 0 | 0 | 115.6 | ||||
| 660 | D | 31.7 | Very low | 36.4 | Very low | 134 Ų | 134 | 154.7 Ų | 154.7 | 72% | 0.717 | 79% | 0.788 | S | S | * | * | cis | -145.5 | 168.4 | 3.1 | -121.2 | -33.4 | 0 | 0 | 0 | 113 | ||||
| 661 | R | 40.1 | Very low | 36.8 | Very low | 229 Ų | 229 | 151.1 Ų | 151.1 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -100.6 | 141.3 | 155 | -50.1 | 167.7 | -179 | 153.8 | -2.3 | 106.9 | ||||
| 662 | E | 34.3 | Very low | 37 | Very low | 194 Ų | 194 | 151.9 Ų | 151.9 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | trans | -156.5 | 167.1 | 140.6 | -77 | -145 | 151.1 | 0 | 0 | 109.7 | ||||
| 663 | D | 35.6 | Very low | 37.5 | Very low | 151 Ų | 151 | 152.4 Ų | 152.4 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | trans | -79 | 159.5 | -165.8 | -51.3 | -61.3 | 0 | 0 | 0 | 114.9 | ||||
| 664 | S | 37.3 | Very low | 37.6 | Very low | 123 Ų | 123 | 152.3 Ų | 152.3 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | -175 | 139.8 | 124.9 | -79.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 665 | D | 44.8 | Very low | 38 | Very low | 169 Ų | 169 | 156.1 Ų | 156.1 | 90% | 0.904 | 80% | 0.796 | S | S | * | * | trans | -71.4 | 144.4 | 160.4 | -78.7 | -57.7 | 0 | 0 | 0 | 111.3 | ||||
| 666 | S | 38.9 | Very low | 38.4 | Very low | 118 Ų | 118 | 156.5 Ų | 156.5 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -157.4 | 140.3 | 142.4 | -143.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 667 | D | 44.7 | Very low | 38.7 | Very low | 125 Ų | 125 | 153.6 Ų | 153.6 | 67% | 0.668 | 81% | 0.809 | S | S | * | * | trans | -56.9 | 148 | 156.1 | -78.5 | -89.6 | 0 | 0 | 0 | 109.9 | ||||
| 668 | D | 41 | Very low | 39.4 | Very low | 169 Ų | 169 | 157.2 Ų | 157.2 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | trans | -145.4 | 146.8 | 130.4 | -129.4 | -32.7 | 0 | 0 | 0 | 110.3 | ||||
| 669 | Q | 43.4 | Very low | 39.9 | Very low | 154 Ų | 154 | 158 Ų | 158 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | trans | -120.2 | 139.6 | -171.1 | -60 | 169.3 | 16.2 | 0 | 0 | 108.9 | ||||
| 670 | D | 41.3 | Very low | 40.9 | Very low | 171 Ų | 171 | 160 Ų | 160 | 91% | 0.914 | 83% | 0.825 | S | S | * | * | trans | -142.6 | 155.1 | 162.2 | -146.5 | -21.3 | 0 | 0 | 0 | 112.4 | ||||
| 671 | A | 37.6 | Very low | 41.8 | Very low | 70 Ų | 70 | 160.6 Ų | 160.6 | 58% | 0.579 | 83% | 0.828 | S | S | * | * | trans | -89.5 | 144.1 | -146.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 672 | H | 40.1 | Very low | 42.4 | Very low | 196 Ų | 196 | 156.7 Ų | 156.7 | 91% | 0.907 | 82% | 0.819 | S | S | * | * | trans | -101.6 | 115.4 | 136.8 | -72.3 | -41.5 | 0 | 0 | 0 | 108.4 | E674 | H672-E674 PolarHBondContact O-N 3.2Š| ||
| 673 | K | 44.3 | Very low | 43.6 | Very low | 182 Ų | 182 | 151.7 Ų | 151.7 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -62.7 | 124.1 | 178.9 | -85.5 | -177.4 | 167.8 | -176.1 | 0 | 111.4 | E675 | K673-E675 PolarHBondContact O-N 2.91Š| ||
| 674 | E | 37 | Very low | 44.7 | Very low | 179 Ų | 179 | 150.6 Ų | 150.6 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | 24.1 | 96 | 111.9 | -63.7 | 166.2 | -144.3 | 0 | 0 | 115.3 | H672 | H672-E674 PolarHBondContact O-N 3.2Š| |||
| 675 | E | 41 | Very low | 45.7 | Very low | 197 Ų | 197 | 148.2 Ų | 148.2 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | trans | -108.5 | 140.8 | 134.1 | -79.3 | -165.2 | 145.6 | 0 | 0 | 108.1 | K673 | K673-E675 PolarHBondContact O-N 2.91Š| ||
| 676 | D | 45.3 | Very low | 46.7 | Very low | 144 Ų | 144 | 143.5 Ų | 143.5 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -75.2 | 135.6 | -168.7 | -178.7 | 9.8 | 0 | 0 | 0 | 112.4 | D678 | D676-D678 PolarHBondContact OD1-N 2.78Š| ||
| 677 | S | 39.2 | Very low | 48.1 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | trans | -162.4 | 67.5 | 169.9 | -177.8 | 0 | 0 | 0 | 0 | 110.8 | E679 | S677-E679 PolarHBondContact O-N 3.44Š| ||
| 678 | D | 48.5 | Very low | 49.3 | Very low | 145 Ų | 145 | 141.1 Ų | 141.1 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | trans | -42.2 | 118.5 | 161.6 | -87.9 | -28.8 | 0 | 0 | 0 | 112.2 | D676 | D676-D678 PolarHBondContact OD1-N 2.78Š| ||
| 679 | E | 44.1 | Very low | 50.7 | Low | 194 Ų | 194 | 134.7 Ų | 134.7 | 91% | 0.907 | 72% | 0.721 | S | S | * | * | trans | -171.4 | 89.9 | 137.2 | -107.1 | 169.3 | -178.1 | 0 | 0 | 112.6 | S677 D681 | S677-E679 PolarHBondContact O-N 3.44Å; E679-D681 VanDerWaalsContact C-N 3.34Å; E679-D681 PolarHBondContact O-N 3.15Å | ||
| 680 | E | 47.8 | Very low | 52.3 | Low | 201 Ų | 201 | 129.2 Ų | 129.2 | 94% | 0.939 | 70% | 0.7 | S | S | * | * | trans | -70.9 | 77.1 | 165.3 | -92.5 | -88.4 | 124.3 | 0 | 0 | 111.1 | ||||
| 681 | D | 52.2 | Low | 54 | Low | 146 Ų | 146 | 128.7 Ų | 128.7 | 78% | 0.781 | 69% | 0.685 | S | S | * | * | trans | -164.3 | 58.6 | 162.7 | -130.7 | -23.1 | 0 | 0 | 0 | 115.5 | E679 P683 | E679-D681 VanDerWaalsContact C-N 3.34Å; E679-D681 PolarHBondContact O-N 3.15Å; D681-P683 WeakPolarHBondContact O-CD 3.27Å | ||
| 682 | E | 51.5 | Low | 56 | Low | 146 Ų | 146 | 128.3 Ų | 128.3 | 68% | 0.682 | 68% | 0.676 | S | S | * | * | trans | -95.4 | 99.2 | 163 | -158.3 | -179.2 | -153.6 | 0 | 0 | 111.3 | L685 | E682-L685 VanDerWaalsContact CD-CD2 3.48Å; E682-L685 HydrophobicContact CG-CD2 4.4Å; E682-L685 WeakPolarHBondContact OE1-CD2 3.47Å; E682-L685 WeakPolarHBondContact OE2-CD2 3.46Å | ||
| 683 | P | 60.8 | Low | 57.9 | Low | 90 Ų | 90 | 124.2 Ų | 124.2 | 58% | 0.584 | 66% | 0.655 | S | S | * | * | trans | -65 | 151.5 | -179 | 26.7 | -35.6 | 0 | 0 | 0 | 111.7 | D681 L685 | D681-P683 WeakPolarHBondContact O-CD 3.27Å; P683-L685 PolarHBondContact O-N 3.22Å | ||
| 684 | P | 57.3 | Low | 59.8 | Low | 128 Ų | 128 | 123.5 Ų | 123.5 | 83% | 0.831 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49 | 105.3 | -162.6 | 17.3 | -33.1 | 0 | 0 | 0 | 112.9 | S686 | P684-S686 WeakPolarHBondContact O-CA 3.24Å; P684-S686 PolarHBondContact O-N 3.19Å |
| 685 | L | 58.4 | Low | 62.2 | Low | 72 Ų | 72 | 121.9 Ų | 121.9 | 38% | 0.377 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -28.4 | 91.2 | -162.7 | -83 | 174 | 0 | 0 | 0 | 113.6 | E682 P683 S690 K693 | E682-L685 VanDerWaalsContact CD-CD2 3.48Å; E682-L685 HydrophobicContact CG-CD2 4.4Å; E682-L685 WeakPolarHBondContact OE1-CD2 3.47Å; E682-L685 WeakPolarHBondContact OE2-CD2 3.46Å; P683-L685 PolarHBondContact O-N 3.22Å; L685-S690 PolarHBondContact O-OG 3.48Å; L685-K693 VanDerWaalsContact CD2-NZ 3.28Å |
| 686 | S | 67.1 | Low | 64.2 | Low | 70 Ų | 70 | 116.4 Ų | 116.4 | 49% | 0.49 | 61% | 0.614 | S | S | . | * | trans | -38.4 | 139.6 | -166 | 170 | 0 | 0 | 0 | 0 | 112.4 | P684 L688 A689 S690 | P684-S686 WeakPolarHBondContact O-CA 3.24Å; P684-S686 PolarHBondContact O-N 3.19Å; S686-L688 CarbonylContact O-C 3.4Å; S686-L688 PolarHBondContact O-N 3.22Å; S686-L688 PolarHBondContact OG-N 3.32Å; S686-A689 CarbonylContact O-C 3.55Å; S686-A689 WeakPolarHBondContact O-CA 3.49Å; S686-A689 WeakPolarHBondContact O-CB 3.45Å; S686-A689 PolarHBondContact O-N 2.82Å; S686-S690 PolarHBondContact O-N 3.32Å | ||
| 687 | A | 68.6 | Low | 66.1 | Low | 77 Ų | 77 | 113.2 Ų | 113.2 | 64% | 0.636 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.3 | -23.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | R691 | A687-R691 WeakPolarHBondContact O-CB 3.43Å; A687-R691 WeakPolarHBondContact O-CD 3.46Å; A687-R691 WeakPolarHBondContact O-CG 3.48Å; A687-R691 PolarHBondContact O-N 3Å |
| 688 | L | 69.7 | Low | 68.2 | Low | 116 Ų | 116 | 112.3 Ų | 112.3 | 61% | 0.607 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -52.5 | 168.2 | -166.6 | 66.5 | 0 | 0 | 0 | 112.8 | S686 S690 R691 V692 | S686-L688 CarbonylContact O-C 3.4Å; S686-L688 PolarHBondContact O-N 3.22Å; S686-L688 PolarHBondContact OG-N 3.32Å; L688-S690 VanDerWaalsContact C-N 3.34Å; L688-S690 PolarHBondContact O-N 3.45Å; L688-R691 CarbonylContact O-C 3.48Å; L688-R691 WeakPolarHBondContact O-CA 3.36Å; L688-R691 WeakPolarHBondContact O-CB 3.35Å; L688-R691 PolarHBondContact O-N 2.9Å; L688-V692 WeakPolarHBondContact O-CG2 3.22Å; L688-V692 PolarHBondContact O-N 3.16Å |
| 689 | A | 69.8 | Low | 69.7 | Low | 35 Ų | 35 | 107.8 Ų | 107.8 | 29% | 0.289 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -57 | -43.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | S686 R691 V692 K693 | S686-A689 CarbonylContact O-C 3.55Å; S686-A689 WeakPolarHBondContact O-CA 3.49Å; S686-A689 WeakPolarHBondContact O-CB 3.45Å; S686-A689 PolarHBondContact O-N 2.82Å; A689-R691 PolarHBondContact O-N 3.37Å; A689-V692 CarbonylContact O-C 3.59Å; A689-V692 PolarHBondContact O-N 2.94Å; A689-V692 VanDerWaalsContact O-N 3.11Å; A689-K693 WeakPolarHBondContact O-CB 3.41Å; A689-K693 PolarHBondContact O-N 3.36Å |
| 690 | S | 76.1 | Confident | 71.4 | Confident | 38 Ų | 38 | 103.7 Ų | 103.7 | 27% | 0.266 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.6 | -12.3 | 173.4 | -71.3 | 0 | 0 | 0 | 0 | 114 | L685 S686 L688 R694 | L685-S690 PolarHBondContact O-OG 3.48Å; S686-S690 PolarHBondContact O-N 3.32Å; L688-S690 VanDerWaalsContact C-N 3.34Å; L688-S690 PolarHBondContact O-N 3.45Å; S690-R694 PolarHBondContact O-NE 2.66Å; S690-R694 PolarHBondContact O-NH2 2.87Å |
| 691 | R | 76.9 | Confident | 73.1 | Confident | 160 Ų | 160 | 101.6 Ų | 101.6 | 60% | 0.604 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -93.6 | -31.6 | 167.2 | -77.1 | 164.8 | 70.7 | -171 | 2.9 | 112 | A687 L688 A689 K695 | A687-R691 WeakPolarHBondContact O-CB 3.43Å; A687-R691 WeakPolarHBondContact O-CD 3.46Å; A687-R691 WeakPolarHBondContact O-CG 3.48Å; A687-R691 PolarHBondContact O-N 3Å; L688-R691 CarbonylContact O-C 3.48Å; L688-R691 WeakPolarHBondContact O-CA 3.36Å; L688-R691 WeakPolarHBondContact O-CB 3.35Å; L688-R691 PolarHBondContact O-N 2.9Å; A689-R691 PolarHBondContact O-N 3.37Å; R691-K695 WeakPolarHBondContact O-CB 3.5Å; R691-K695 VanDerWaalsContact O-CG 3.31Å; R691-K695 WeakPolarHBondContact O-CG 3.41Å; R691-K695 PolarHBondContact O-N 3.04Å |
| 692 | V | 79.5 | Confident | 74.4 | Confident | 63 Ų | 63 | 98.7 Ų | 98.7 | 38% | 0.382 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.9 | -57.6 | 173.4 | 170.5 | 0 | 0 | 0 | 0 | 109.8 | L688 A689 R694 K695 D696 | L688-V692 WeakPolarHBondContact O-CG2 3.22Å; L688-V692 PolarHBondContact O-N 3.16Å; A689-V692 CarbonylContact O-C 3.59Å; A689-V692 PolarHBondContact O-N 2.94Å; A689-V692 VanDerWaalsContact O-N 3.11Å; V692-R694 PolarHBondContact O-N 3.25Å; V692-K695 CarbonylContact O-C 3.59Å; V692-K695 WeakPolarHBondContact O-CA 3.44Å; V692-K695 PolarHBondContact O-N 2.91Å; V692-D696 WeakPolarHBondContact CG1-OD2 3.44Å; V692-D696 PolarHBondContact O-N 3.27Å |
| 693 | K | 79.9 | Confident | 75.5 | Confident | 110 Ų | 110 | 95.9 Ų | 95.9 | 48% | 0.478 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -49.9 | -36.5 | 173.2 | -68.4 | -178.8 | 179.7 | 177.9 | 0 | 112.3 | L685 A689 T697 | L685-K693 VanDerWaalsContact CD2-NZ 3.28Å; A689-K693 WeakPolarHBondContact O-CB 3.41Å; A689-K693 PolarHBondContact O-N 3.36Å; K693-T697 WeakPolarHBondContact O-CB 3.2Å; K693-T697 VanDerWaalsContact O-CG2 3.31Å; K693-T697 WeakPolarHBondContact O-CG2 3.4Å; K693-T697 PolarHBondContact O-N 3.43Å; K693-T697 VanDerWaalsContact O-N 3.07Å; K693-T697 PolarHBondContact O-OG1 2.96Å |
| 694 | R | 85.2 | Confident | 75.9 | Confident | 167 Ų | 167 | 96.2 Ų | 96.2 | 63% | 0.63 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -75.3 | -37.5 | 172.6 | -84.9 | -174.2 | -70.5 | 179.7 | -6.3 | 115 | S690 V692 D696 T697 L698 | S690-R694 PolarHBondContact O-NE 2.66Å; S690-R694 PolarHBondContact O-NH2 2.87Å; V692-R694 PolarHBondContact O-N 3.25Å; R694-D696 VanDerWaalsContact C-N 3.33Å; R694-T697 WeakPolarHBondContact CA-OG1 3.33Å; R694-T697 PolarHBondContact O-OG1 2.83Å; R694-L698 WeakPolarHBondContact O-CB 3.36Å; R694-L698 PolarHBondContact O-N 2.63Å |
| 695 | K | 87.3 | Confident | 76.5 | Confident | 145 Ų | 145 | 98 Ų | 98 | 63% | 0.63 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.4 | -34.6 | 173.5 | -83.3 | 178.4 | 66.3 | -163.9 | 0 | 111.8 | R691 V692 L698 A699 | R691-K695 WeakPolarHBondContact O-CB 3.5Å; R691-K695 VanDerWaalsContact O-CG 3.31Å; R691-K695 WeakPolarHBondContact O-CG 3.41Å; R691-K695 PolarHBondContact O-N 3.04Å; V692-K695 CarbonylContact O-C 3.59Å; V692-K695 WeakPolarHBondContact O-CA 3.44Å; V692-K695 PolarHBondContact O-N 2.91Å; K695-L698 CarbonylContact O-C 3.56Å; K695-L698 WeakPolarHBondContact O-CB 3.34Å; K695-L698 PolarHBondContact O-N 3.19Å; K695-A699 VanDerWaalsContact O-CB 3.31Å; K695-A699 WeakPolarHBondContact O-CB 3.39Å; K695-A699 PolarHBondContact O-N 3.02Å |
| 696 | D | 83.4 | Confident | 76.3 | Confident | 81 Ų | 81 | 99.5 Ų | 99.5 | 43% | 0.433 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -85.2 | -37.2 | -174 | -55.7 | -20.5 | 0 | 0 | 0 | 110.8 | V692 R694 L698 A699 L700 | V692-D696 WeakPolarHBondContact CG1-OD2 3.44Å; V692-D696 PolarHBondContact O-N 3.27Å; R694-D696 VanDerWaalsContact C-N 3.33Å; D696-L698 VanDerWaalsContact C-N 3.3Å; D696-L698 PolarHBondContact O-N 3.05Å; D696-A699 PolarHBondContact O-N 3.14Å; D696-L700 WeakPolarHBondContact O-CB 3.45Å; D696-L700 WeakPolarHBondContact O-CG 3.14Å; D696-L700 PolarHBondContact O-N 2.91Å |
| 697 | T | 84.3 | Confident | 75.2 | Confident | 78 Ų | 78 | 101.5 Ų | 101.5 | 48% | 0.479 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.2 | -30.8 | 165.6 | 51.2 | 0 | 0 | 0 | 0 | 112.6 | K693 R694 K701 | K693-T697 WeakPolarHBondContact O-CB 3.2Å; K693-T697 VanDerWaalsContact O-CG2 3.31Å; K693-T697 WeakPolarHBondContact O-CG2 3.4Å; K693-T697 PolarHBondContact O-N 3.43Å; K693-T697 VanDerWaalsContact O-N 3.07Å; K693-T697 PolarHBondContact O-OG1 2.96Å; R694-T697 WeakPolarHBondContact CA-OG1 3.33Å; R694-T697 PolarHBondContact O-OG1 2.83Å; T697-K701 VanDerWaalsContact O-CB 3.3Å; T697-K701 WeakPolarHBondContact O-CB 3.38Å; T697-K701 VanDerWaalsContact O-CG 3.31Å; T697-K701 WeakPolarHBondContact O-CG 3.23Å; T697-K701 PolarHBondContact O-N 3.31Å |
| 698 | L | 83.1 | Confident | 74.5 | Confident | 97 Ų | 97 | 101.9 Ų | 101.9 | 51% | 0.508 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.6 | -44.8 | 167.3 | -177.4 | 71.3 | 0 | 0 | 0 | 111 | R694 K695 D696 L700 K701 L702 | R694-L698 WeakPolarHBondContact O-CB 3.36Å; R694-L698 PolarHBondContact O-N 2.63Å; K695-L698 CarbonylContact O-C 3.56Å; K695-L698 WeakPolarHBondContact O-CB 3.34Å; K695-L698 PolarHBondContact O-N 3.19Å; D696-L698 VanDerWaalsContact C-N 3.3Å; D696-L698 PolarHBondContact O-N 3.05Å; L698-L700 PolarHBondContact O-N 3.42Å; L698-K701 CarbonylContact O-C 3.56Å; L698-K701 VanDerWaalsContact O-C 3.3Å; L698-K701 WeakPolarHBondContact O-CA 3.48Å; L698-K701 PolarHBondContact O-N 3.09Å; L698-K701 VanDerWaalsContact O-N 3.1Å; L698-L702 HydrophobicContact CD1-CD1 4.47Å; L698-L702 HydrophobicContact CD1-CG 4.45Å; L698-L702 HydrophobicContact CD2-CD1 4.41Å; L698-L702 HydrophobicContact CG-CD1 3.98Å; L698-L702 HydrophobicContact CG-CG 4.31Å; L698-L702 WeakPolarHBondContact O-CB 3.44Å; L698-L702 VanDerWaalsContact O-CG 3.26Å; L698-L702 WeakPolarHBondContact O-CG 3.47Å; L698-L702 PolarHBondContact O-N 2.9Å |
| 699 | A | 81.9 | Confident | 73.5 | Confident | 49 Ų | 49 | 101 Ų | 101 | 41% | 0.405 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | K695 D696 K701 L702 S703 | K695-A699 VanDerWaalsContact O-CB 3.31Å; K695-A699 WeakPolarHBondContact O-CB 3.39Å; K695-A699 PolarHBondContact O-N 3.02Å; D696-A699 PolarHBondContact O-N 3.14Å; A699-K701 PolarHBondContact O-N 3Å; A699-L702 CarbonylContact O-C 3.56Å; A699-L702 WeakPolarHBondContact O-CA 3.4Å; A699-L702 PolarHBondContact O-N 2.97Å; A699-S703 PolarHBondContact O-N 2.95Å; A699-S703 PolarHBondContact O-OG 3.31Å |
| 700 | L | 79.4 | Confident | 72.2 | Confident | 109 Ų | 109 | 105.7 Ų | 105.7 | 57% | 0.571 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60.2 | -42.5 | 171.4 | -70.9 | 166.9 | 0 | 0 | 0 | 111.7 | D696 L698 L702 S703 S704 | D696-L700 WeakPolarHBondContact O-CB 3.45Å; D696-L700 WeakPolarHBondContact O-CG 3.14Å; D696-L700 PolarHBondContact O-N 2.91Å; L698-L700 PolarHBondContact O-N 3.42Å; L700-L702 PolarHBondContact O-N 3.12Å; L700-S703 WeakPolarHBondContact CA-OG 3.49Å; L700-S703 PolarHBondContact O-OG 2.91Å; L700-S704 WeakPolarHBondContact O-CB 3.35Å; L700-S704 PolarHBondContact O-N 2.88Å; L700-S704 PolarHBondContact O-OG 2.91Å |
| 701 | K | 82.3 | Confident | 70.9 | Confident | 157 Ų | 157 | 110.4 Ų | 110.4 | 68% | 0.683 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -71.5 | -3.1 | 172.2 | -76 | -179.9 | 175.1 | 179.8 | 0 | 114.8 | T697 L698 A699 R705 | T697-K701 VanDerWaalsContact O-CB 3.3Å; T697-K701 WeakPolarHBondContact O-CB 3.38Å; T697-K701 VanDerWaalsContact O-CG 3.31Å; T697-K701 WeakPolarHBondContact O-CG 3.23Å; T697-K701 PolarHBondContact O-N 3.31Å; L698-K701 CarbonylContact O-C 3.56Å; L698-K701 VanDerWaalsContact O-C 3.3Å; L698-K701 WeakPolarHBondContact O-CA 3.48Å; L698-K701 PolarHBondContact O-N 3.09Å; L698-K701 VanDerWaalsContact O-N 3.1Å; A699-K701 PolarHBondContact O-N 3Å; K701-R705 WeakPolarHBondContact O-CG 3.21Å |
| 702 | L | 80.1 | Confident | 69.4 | Low | 84 Ų | 84 | 107.2 Ų | 107.2 | 44% | 0.44 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -108 | -35.7 | 173.4 | -71 | 177 | 0 | 0 | 0 | 111.8 | L698 A699 L700 R705 | L698-L702 HydrophobicContact CD1-CD1 4.47Å; L698-L702 HydrophobicContact CD1-CG 4.45Å; L698-L702 HydrophobicContact CD2-CD1 4.41Å; L698-L702 HydrophobicContact CG-CD1 3.98Å; L698-L702 HydrophobicContact CG-CG 4.31Å; L698-L702 WeakPolarHBondContact O-CB 3.44Å; L698-L702 VanDerWaalsContact O-CG 3.26Å; L698-L702 WeakPolarHBondContact O-CG 3.47Å; L698-L702 PolarHBondContact O-N 2.9Å; A699-L702 CarbonylContact O-C 3.56Å; A699-L702 WeakPolarHBondContact O-CA 3.4Å; A699-L702 PolarHBondContact O-N 2.97Å; L700-L702 PolarHBondContact O-N 3.12Å; L702-R705 WeakPolarHBondContact O-CB 3.41Å; L702-R705 PolarHBondContact O-N 3.44Å |
| 703 | S | 75.3 | Confident | 67.8 | Low | 87 Ų | 87 | 114.2 Ų | 114.2 | 61% | 0.608 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -74.4 | -33.3 | 172.9 | 62.1 | 0 | 0 | 0 | 0 | 112.2 | A699 L700 R705 | A699-S703 PolarHBondContact O-N 2.95Å; A699-S703 PolarHBondContact O-OG 3.31Å; L700-S703 WeakPolarHBondContact CA-OG 3.49Å; L700-S703 PolarHBondContact O-OG 2.91Å; S703-R705 VanDerWaalsContact C-N 3.25Å |
| 704 | S | 68.6 | Low | 65.9 | Low | 97 Ų | 97 | 117 Ų | 117 | 68% | 0.678 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | 11.1 | 171.6 | -54.6 | 0 | 0 | 0 | 0 | 112.9 | L700 | L700-S704 WeakPolarHBondContact O-CB 3.35Å; L700-S704 PolarHBondContact O-N 2.88Å; L700-S704 PolarHBondContact O-OG 2.91Å |
| 705 | R | 69.9 | Low | 64 | Low | 165 Ų | 165 | 111.2 Ų | 111.2 | 62% | 0.623 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -73.4 | 126.1 | 153.4 | -69.5 | 178.2 | 179.6 | -163.5 | -0.6 | 106.4 | K701 L702 S703 C707 | K701-R705 WeakPolarHBondContact O-CG 3.21Å; L702-R705 WeakPolarHBondContact O-CB 3.41Å; L702-R705 PolarHBondContact O-N 3.44Å; S703-R705 VanDerWaalsContact C-N 3.25Å; R705-C707 PolarHBondContact O-N 3.49Å; R705-C707 VanDerWaalsContact O-N 3.15Å |
| 706 | P | 54.9 | Low | 61.9 | Low | 105 Ų | 105 | 111.2 Ų | 111.2 | 68% | 0.682 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 126.4 | 174 | 23.9 | -32.9 | 0 | 0 | 0 | 108.7 | A708 | P706-A708 PolarHBondContact O-N 2.74Š|
| 707 | C | 43.2 | Very low | 60.1 | Low | 112 Ų | 112 | 115.2 Ų | 115.2 | 76% | 0.757 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 133.8 | 177.6 | -168.9 | 0 | 0 | 0 | 0 | 108.8 | R705 P709 | R705-C707 PolarHBondContact O-N 3.49Å; R705-C707 VanDerWaalsContact O-N 3.15Å; C707-P709 WeakPolarHBondContact O-CD 3.43Å |
| 708 | A | 53.6 | Low | 58.4 | Low | 85 Ų | 85 | 121.1 Ų | 121.1 | 70% | 0.702 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 99.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | P706 | P706-A708 PolarHBondContact O-N 2.74Š|
| 709 | P | 49.4 | Very low | 56.4 | Low | 96 Ų | 96 | 119.5 Ų | 119.5 | 62% | 0.623 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | -123.7 | -13 | 106 | 36.2 | -33.7 | 0 | 0 | 0 | 114.4 | C707 R711 D712 | C707-P709 WeakPolarHBondContact O-CD 3.43Å; P709-R711 VanDerWaalsContact C-N 3.32Å; P709-R711 PolarHBondContact O-N 3.41Å; P709-D712 PolarHBondContact O-N 2.85Å | |
| 710 | D | 42.9 | Very low | 54.4 | Low | 135 Ų | 135 | 121.6 Ų | 121.6 | 72% | 0.722 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | 20.8 | -169.3 | -147 | 17.5 | 0 | 0 | 0 | 115 | ||
| 711 | R | 47.8 | Very low | 52.7 | Low | 136 Ų | 136 | 120.5 Ų | 120.5 | 51% | 0.513 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.9 | -15.3 | 164.6 | -88 | -160.2 | 63.1 | 178.6 | -7.6 | 113.8 | P709 T715 | P709-R711 VanDerWaalsContact C-N 3.32Å; P709-R711 PolarHBondContact O-N 3.41Å; R711-T715 PolarHBondContact NE-OG1 3.24Å; R711-T715 PolarHBondContact NH2-OG1 2.79Å; R711-T715 VanDerWaalsContact NH2-OG1 3.09Å; R711-T715 WeakPolarHBondContact O-CA 3.49Å; R711-T715 PolarHBondContact O-N 2.59Å; R711-T715 PolarHBondContact O-OG1 3.22Å |
| 712 | D | 45 | Very low | 50.7 | Low | 94 Ų | 94 | 116.7 Ų | 116.7 | 50% | 0.503 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -71.1 | -31.1 | -179.8 | -78.3 | -51.4 | 0 | 0 | 0 | 112.5 | P709 F714 Q716 | P709-D712 PolarHBondContact O-N 2.85Å; D712-F714 PolarHBondContact O-N 2.89Å; D712-Q716 WeakPolarHBondContact O-CB 3.39Å |
| 713 | R | 45.5 | Very low | 48.8 | Very low | 210 Ų | 210 | 119.6 Ų | 119.6 | 79% | 0.792 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69.5 | -27.7 | -177 | -171.6 | 171.2 | -72.7 | -98 | 1.7 | 114.6 | ||
| 714 | F | 41.9 | Very low | 47.1 | Very low | 169 Ų | 169 | 121.3 Ų | 121.3 | 74% | 0.741 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -133.3 | -6.3 | -176.6 | -103.6 | -78.8 | 0 | 0 | 0 | 116 | D712 | D712-F714 PolarHBondContact O-N 2.89Å |
| 715 | T | 43.3 | Very low | 45.6 | Very low | 44 Ų | 44 | 121.6 Ų | 121.6 | 27% | 0.27 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -117.8 | -1.1 | 172.9 | 64.9 | 0 | 0 | 0 | 0 | 115.5 | R711 E717 R718 S719 | R711-T715 PolarHBondContact NE-OG1 3.24Å; R711-T715 PolarHBondContact NH2-OG1 2.79Å; R711-T715 VanDerWaalsContact NH2-OG1 3.09Å; R711-T715 WeakPolarHBondContact O-CA 3.49Å; R711-T715 PolarHBondContact O-N 2.59Å; R711-T715 PolarHBondContact O-OG1 3.22Å; T715-E717 PolarHBondContact O-N 3.38Å; T715-R718 CarbonylContact O-C 3.48Å; T715-R718 PolarHBondContact O-N 3.32Å; T715-S719 PolarHBondContact O-N 3.23Å |
| 716 | Q | 43.5 | Very low | 44.5 | Very low | 145 Ų | 145 | 120 Ų | 120 | 68% | 0.678 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -27.3 | 163.6 | -174.8 | 165.4 | 83.6 | 0 | 0 | 111.9 | D712 | D712-Q716 WeakPolarHBondContact O-CB 3.39Š|
| 717 | E | 46.2 | Very low | 43.8 | Very low | 166 Ų | 166 | 117.8 Ų | 117.8 | 78% | 0.776 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -16.3 | 169.5 | -169.5 | 169.3 | -152.8 | 0 | 0 | 113.2 | T715 L731 | T715-E717 PolarHBondContact O-N 3.38Å; E717-L731 WeakPolarHBondContact O-CD2 3.42Å |
| 718 | R | 48 | Very low | 43.9 | Very low | 201 Ų | 201 | 118.3 Ų | 118.3 | 76% | 0.758 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.7 | 1 | -167.7 | -132.5 | 175.1 | -168.2 | -129.5 | -0.4 | 119.2 | T715 L731 | T715-R718 CarbonylContact O-C 3.48Å; T715-R718 PolarHBondContact O-N 3.32Å; R718-L731 HydrophobicContact CB-CD1 4.31Å; R718-L731 HydrophobicContact CG-CD1 3.68Å |
| 719 | S | 41.6 | Very low | 43.3 | Very low | 63 Ų | 63 | 120 Ų | 120 | 44% | 0.441 | 62% | 0.617 | S | S | . | * | trans | -156.7 | 86.4 | 169.3 | -171.5 | 0 | 0 | 0 | 0 | 114.7 | T715 R721 | T715-S719 PolarHBondContact O-N 3.23Å; S719-R721 PolarHBondContact OG-O 3.33Å | ||
| 720 | S | 39.5 | Very low | 42.8 | Very low | 94 Ų | 94 | 117.6 Ų | 117.6 | 66% | 0.657 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -105.7 | 36.3 | 157.9 | -64.2 | 0 | 0 | 0 | 0 | 110.9 | ||
| 721 | R | 44 | Very low | 42.9 | Very low | 86 Ų | 86 | 113.8 Ų | 113.8 | 33% | 0.325 | 59% | 0.589 | S | S | . | * | trans | -165.9 | 136.2 | -176.7 | -130.2 | -165.4 | 166.9 | -175.2 | -16.2 | 106.3 | S719 T729 G730 L731 T732 | S719-R721 PolarHBondContact OG-O 3.33Å; R721-T729 PolarHBondContact NH1-O 2.94Å; R721-G730 WeakPolarHBondContact CD-O 3.16Å; R721-G730 PolarHBondContact NH1-O 3.33Å; R721-L731 VanDerWaalsContact CB-N 3.34Å; R721-T732 HydrophobicContact CG-CG2 4.44Å | ||
| 722 | E | 39.8 | Very low | 42.9 | Very low | 77 Ų | 77 | 110.9 Ų | 110.9 | 36% | 0.36 | 59% | 0.587 | S | S | . | * | cis | -156.5 | 142.4 | 13.8 | -161.3 | 145.9 | -138 | 0 | 0 | 110.4 | ||||
| 723 | D | 40.1 | Very low | 43.3 | Very low | 144 Ų | 144 | 113.6 Ų | 113.6 | 77% | 0.77 | 59% | 0.59 | S | S | * | * | trans | -160.1 | 116.8 | 168.5 | -126.7 | -10.9 | 0 | 0 | 0 | 108 | ||||
| 724 | Q | 39.7 | Very low | 44.1 | Very low | 123 Ų | 123 | 112.2 Ų | 112.2 | 58% | 0.575 | 59% | 0.592 | S | S | * | * | S | Bend | cis | -154.1 | 152.2 | -22.2 | -132.4 | 179.8 | 104.5 | 0 | 0 | 107.7 | ||
| 725 | P | 38.3 | Very low | 45.9 | Very low | 104 Ų | 104 | 105.6 Ų | 105.6 | 68% | 0.675 | 57% | 0.567 | S | S | * | * | S | Bend | -137.4 | -169 | 89.9 | 44.1 | -30.6 | 0 | 0 | 0 | 110.8 | G727 | P725-G727 PolarHBondContact O-N 3.1Š| |
| 726 | P | 46.1 | Very low | 48 | Very low | 130 Ų | 130 | 112 Ų | 112 | 84% | 0.844 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -75.1 | 116.8 | -158.1 | 29.5 | -33.3 | 0 | 0 | 0 | 113.4 | ||
| 727 | G | 40.7 | Very low | 50.2 | Low | 60 Ų | 60 | 112.1 Ų | 112.1 | 62% | 0.619 | 59% | 0.587 | S | S | * | * | trans | 165.3 | 34.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P725 T729 | P725-G727 PolarHBondContact O-N 3.1Å; G727-T729 PolarHBondContact O-N 3.38Å | ||
| 728 | Q | 44.1 | Very low | 52.2 | Low | 123 Ų | 123 | 108.9 Ų | 108.9 | 58% | 0.575 | 57% | 0.572 | S | S | * | * | trans | -66.4 | 129.2 | -165.4 | -61.7 | -179.9 | 13.3 | 0 | 0 | 112.9 | ||||
| 729 | T | 40.8 | Very low | 54.1 | Low | 119 Ų | 119 | 103.7 Ų | 103.7 | 73% | 0.73 | 55% | 0.552 | S | S | * | * | trans | -167.8 | 104.1 | 147.1 | 4.2 | 0 | 0 | 0 | 0 | 111.9 | R721 G727 | R721-T729 PolarHBondContact NH1-O 2.94Å; G727-T729 PolarHBondContact O-N 3.38Å | ||
| 730 | G | 39.7 | Very low | 56.6 | Low | 47 Ų | 47 | 104 Ų | 104 | 49% | 0.485 | 55% | 0.547 | S | S | . | . | trans | 65.4 | 129.6 | 149.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | R721 | R721-G730 WeakPolarHBondContact CD-O 3.16Å; R721-G730 PolarHBondContact NH1-O 3.33Å | ||
| 731 | L | 46 | Very low | 59.1 | Low | 54 Ų | 54 | 102.2 Ų | 102.2 | 28% | 0.283 | 54% | 0.538 | S | S | . | . | trans | 30.3 | 99.1 | 148.9 | -71.5 | 158.7 | 0 | 0 | 0 | 118.5 | E717 R718 R721 W733 | E717-L731 WeakPolarHBondContact O-CD2 3.42Å; R718-L731 HydrophobicContact CB-CD1 4.31Å; R718-L731 HydrophobicContact CG-CD1 3.68Å; R721-L731 VanDerWaalsContact CB-N 3.34Å; L731-W733 PolarHBondContact O-N 3.14Å | ||
| 732 | T | 47.8 | Very low | 61.6 | Low | 76 Ų | 76 | 101 Ų | 101 | 47% | 0.466 | 54% | 0.537 | S | S | . | . | trans | -80.9 | 101.1 | 166.1 | 29.6 | 0 | 0 | 0 | 0 | 111.9 | R721 Q734 | R721-T732 HydrophobicContact CG-CG2 4.44Å; T732-Q734 PolarHBondContact O-N 3.13Å | ||
| 733 | W | 51.9 | Low | 64.2 | Low | 151 Ų | 151 | 103.1 Ų | 103.1 | 57% | 0.572 | 54% | 0.542 | S | S | * | . | trans | -44.6 | 132.5 | 139 | -59 | 81.4 | 0 | 0 | 0 | 108.3 | L731 S735 W739 | L731-W733 PolarHBondContact O-N 3.14Å; W733-S735 CarbonylContact O-C 3.6Å; W733-S735 PolarHBondContact O-N 2.89Å; W733-W739 HydrophobicContact CB-CB 4.12Å; W733-W739 HydrophobicContact CB-CE3 4.2Å; W733-W739 AromaticContact CD1-CE3 3.83Å; W733-W739 HydrophobicContact CD2-CD2 4.43Å; W733-W739 AromaticContact CD2-CE3 3.46Å; W733-W739 HydrophobicContact CD2-CE3 3.46Å; W733-W739 VanDerWaalsContact CD2-CE3 3.46Å; W733-W739 AromaticContact CD2-CZ3 3.51Å; W733-W739 HydrophobicContact CD2-CZ3 3.51Å; W733-W739 AromaticContact CE2-CE3 3.75Å; W733-W739 AromaticContact CE2-CH2 3.94Å; W733-W739 AromaticContact CE2-CZ3 3.31Å; W733-W739 AromaticContact CE3-CE3 3.89Å; W733-W739 HydrophobicContact CE3-CE3 3.89Å; W733-W739 AromaticContact CE3-CZ3 3.92Å; W733-W739 HydrophobicContact CE3-CZ3 3.92Å; W733-W739 HydrophobicContact CG-CD2 4.1Å; W733-W739 AromaticContact CG-CE3 3.57Å; W733-W739 HydrophobicContact CG-CE3 3.57Å; W733-W739 HydrophobicContact CG-CZ3 4.02Å; W733-W739 HydrophobicContact CH2-CZ3 4.02Å; W733-W739 HydrophobicContact CZ2-CE3 4.42Å; W733-W739 HydrophobicContact CZ2-CH2 4.13Å; W733-W739 AromaticContact CZ2-CZ3 3.6Å; W733-W739 HydrophobicContact CZ2-CZ3 3.6Å; W733-W739 HydrophobicContact CZ3-CZ3 4.16Å; W733-W739 AromaticContact NE1-CE3 3.93Å; W733-W739 AromaticContact NE1-CH2 3.94Å; W733-W739 AromaticContact NE1-CZ3 3.65Å | ||
| 734 | Q | 63.2 | Low | 66.9 | Low | 180 Ų | 180 | 100.5 Ų | 100.5 | 84% | 0.841 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -64.9 | -9.6 | -148.6 | -64.1 | 179.7 | 12 | 0 | 0 | 116.9 | T732 | T732-Q734 PolarHBondContact O-N 3.13Š|
| 735 | S | 78.5 | Confident | 69.7 | Low | 31 Ų | 31 | 101 Ų | 101 | 22% | 0.217 | 53% | 0.534 | C | S | . | . | trans | -146.2 | 151.6 | 152.1 | 170 | 0 | 0 | 0 | 0 | 109 | W733 E737 Q738 W739 | W733-S735 CarbonylContact O-C 3.6Å; W733-S735 PolarHBondContact O-N 2.89Å; S735-E737 PolarHBondContact O-N 2.75Å; S735-E737 WeakPolarHBondContact OG-CB 3.27Å; S735-E737 PolarHBondContact OG-N 2.62Å; S735-E737 VanDerWaalsContact OG-N 3.08Å; S735-E737 PolarHBondContact OG-OE2 3.28Å; S735-Q738 WeakPolarHBondContact O-CB 3.15Å; S735-Q738 PolarHBondContact O-N 2.66Å; S735-Q738 VanDerWaalsContact O-N 3.1Å; S735-W739 PolarHBondContact O-N 2.62Å | ||
| 736 | R | 88.6 | Confident | 72.5 | Confident | 179 Ų | 179 | 101 Ų | 101 | 68% | 0.675 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -51.4 | -42.1 | 166.1 | 170.5 | 179.9 | -74.8 | -83 | 6.9 | 110.8 | Q738 W739 E740 | R736-Q738 VanDerWaalsContact C-N 3.35Å; R736-Q738 PolarHBondContact O-N 3.37Å; R736-W739 WeakPolarHBondContact O-CB 3.3Å; R736-W739 PolarHBondContact O-N 3.17Å; R736-E740 VanDerWaalsContact CG-CD 3.46Å; R736-E740 WeakPolarHBondContact CG-OE1 3.35Å; R736-E740 IonicContact NH1-OE1 3.07Å; R736-E740 PolarHBondContact NH1-OE1 3.06Å; R736-E740 VanDerWaalsContact NH1-OE1 3.07Å; R736-E740 WeakPolarHBondContact O-CB 3.45Å; R736-E740 WeakPolarHBondContact O-CG 3.37Å; R736-E740 PolarHBondContact O-N 2.85Å |
| 737 | E | 89.5 | Confident | 75 | Confident | 147 Ų | 147 | 96.3 Ų | 96.3 | 69% | 0.687 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.9 | -36.3 | -180 | -55.3 | 158.6 | 142.7 | 0 | 0 | 111.4 | S735 E740 A741 | S735-E737 PolarHBondContact O-N 2.75Å; S735-E737 WeakPolarHBondContact OG-CB 3.27Å; S735-E737 PolarHBondContact OG-N 2.62Å; S735-E737 VanDerWaalsContact OG-N 3.08Å; S735-E737 PolarHBondContact OG-OE2 3.28Å; E737-E740 PolarHBondContact O-N 3.11Å; E737-A741 VanDerWaalsContact O-CB 3.22Å; E737-A741 WeakPolarHBondContact O-CB 3.33Å; E737-A741 PolarHBondContact O-N 3.31Å |
| 738 | Q | 88.4 | Confident | 77.7 | Confident | 98 Ų | 98 | 97.3 Ų | 97.3 | 46% | 0.458 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.5 | -40.7 | 174.7 | -71.3 | 173 | 9 | 0 | 0 | 111 | S735 R736 E740 A741 I742 | S735-Q738 WeakPolarHBondContact O-CB 3.15Å; S735-Q738 PolarHBondContact O-N 2.66Å; S735-Q738 VanDerWaalsContact O-N 3.1Å; R736-Q738 VanDerWaalsContact C-N 3.35Å; R736-Q738 PolarHBondContact O-N 3.37Å; Q738-E740 VanDerWaalsContact C-N 3.33Å; Q738-A741 PolarHBondContact O-N 2.95Å; Q738-I742 WeakPolarHBondContact O-CB 3.48Å; Q738-I742 WeakPolarHBondContact O-CD1 3.23Å; Q738-I742 WeakPolarHBondContact O-CG1 3.39Å; Q738-I742 PolarHBondContact O-N 3.31Å |
| 739 | W | 87.6 | Confident | 80.3 | Confident | 91 Ų | 91 | 92.8 Ų | 92.8 | 35% | 0.345 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.4 | -37.2 | 173.2 | 179.5 | -119.5 | 0 | 0 | 0 | 112 | W733 S735 R736 R743 | W733-W739 HydrophobicContact CB-CB 4.12Å; W733-W739 HydrophobicContact CB-CE3 4.2Å; W733-W739 AromaticContact CD1-CE3 3.83Å; W733-W739 HydrophobicContact CD2-CD2 4.43Å; W733-W739 AromaticContact CD2-CE3 3.46Å; W733-W739 HydrophobicContact CD2-CE3 3.46Å; W733-W739 VanDerWaalsContact CD2-CE3 3.46Å; W733-W739 AromaticContact CD2-CZ3 3.51Å; W733-W739 HydrophobicContact CD2-CZ3 3.51Å; W733-W739 AromaticContact CE2-CE3 3.75Å; W733-W739 AromaticContact CE2-CH2 3.94Å; W733-W739 AromaticContact CE2-CZ3 3.31Å; W733-W739 AromaticContact CE3-CE3 3.89Å; W733-W739 HydrophobicContact CE3-CE3 3.89Å; W733-W739 AromaticContact CE3-CZ3 3.92Å; W733-W739 HydrophobicContact CE3-CZ3 3.92Å; W733-W739 HydrophobicContact CG-CD2 4.1Å; W733-W739 AromaticContact CG-CE3 3.57Å; W733-W739 HydrophobicContact CG-CE3 3.57Å; W733-W739 HydrophobicContact CG-CZ3 4.02Å; W733-W739 HydrophobicContact CH2-CZ3 4.02Å; W733-W739 HydrophobicContact CZ2-CE3 4.42Å; W733-W739 HydrophobicContact CZ2-CH2 4.13Å; W733-W739 AromaticContact CZ2-CZ3 3.6Å; W733-W739 HydrophobicContact CZ2-CZ3 3.6Å; W733-W739 HydrophobicContact CZ3-CZ3 4.16Å; W733-W739 AromaticContact NE1-CE3 3.93Å; W733-W739 AromaticContact NE1-CH2 3.94Å; W733-W739 AromaticContact NE1-CZ3 3.65Å; S735-W739 PolarHBondContact O-N 2.62Å; R736-W739 WeakPolarHBondContact O-CB 3.3Å; R736-W739 PolarHBondContact O-N 3.17Å; W739-R743 HydrophobicContact CD2-CG 4.48Å; W739-R743 WeakPolarHBondContact O-CB 3.48Å; W739-R743 VanDerWaalsContact O-CG 3.26Å; W739-R743 WeakPolarHBondContact O-CG 3.42Å; W739-R743 PolarHBondContact O-N 3.33Å |
| 740 | E | 93.6 | Very high | 83 | Confident | 69 Ų | 69 | 91.4 Ų | 91.4 | 32% | 0.322 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -73.8 | -36.1 | 176.5 | -75.8 | 160.5 | -167.6 | 0 | 0 | 112.1 | R736 E737 Q738 R743 T744 | R736-E740 VanDerWaalsContact CG-CD 3.46Å; R736-E740 WeakPolarHBondContact CG-OE1 3.35Å; R736-E740 IonicContact NH1-OE1 3.07Å; R736-E740 PolarHBondContact NH1-OE1 3.06Å; R736-E740 VanDerWaalsContact NH1-OE1 3.07Å; R736-E740 WeakPolarHBondContact O-CB 3.45Å; R736-E740 WeakPolarHBondContact O-CG 3.37Å; R736-E740 PolarHBondContact O-N 2.85Å; E737-E740 PolarHBondContact O-N 3.11Å; Q738-E740 VanDerWaalsContact C-N 3.33Å; E740-R743 IonicContact OE1-NH2 2.62Å; E740-R743 PolarHBondContact OE1-NH2 3Å; E740-T744 VanDerWaalsContact O-CB 3.31Å; E740-T744 WeakPolarHBondContact O-CB 3.31Å; E740-T744 PolarHBondContact O-N 2.87Å; E740-T744 PolarHBondContact O-OG1 3.41Å |
| 741 | A | 93.4 | Very high | 85.8 | Confident | 57 Ų | 57 | 93.7 Ų | 93.7 | 47% | 0.471 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112 | E737 Q738 T744 Q745 | E737-A741 VanDerWaalsContact O-CB 3.22Å; E737-A741 WeakPolarHBondContact O-CB 3.33Å; E737-A741 PolarHBondContact O-N 3.31Å; Q738-A741 PolarHBondContact O-N 2.95Å; A741-T744 PolarHBondContact O-N 3.27Å; A741-Q745 VanDerWaalsContact O-CB 3.28Å; A741-Q745 WeakPolarHBondContact O-CB 3.48Å; A741-Q745 PolarHBondContact O-N 3.26Å |
| 742 | I | 94.8 | Very high | 88.3 | Confident | 62 Ų | 62 | 97.8 Ų | 97.8 | 32% | 0.318 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.3 | -45.6 | 175.4 | -72 | 165.1 | 0 | 0 | 0 | 110.5 | Q738 T744 Q745 I746 | Q738-I742 WeakPolarHBondContact O-CB 3.48Å; Q738-I742 WeakPolarHBondContact O-CD1 3.23Å; Q738-I742 WeakPolarHBondContact O-CG1 3.39Å; Q738-I742 PolarHBondContact O-N 3.31Å; I742-T744 VanDerWaalsContact C-N 3.3Å; I742-T744 PolarHBondContact O-N 2.85Å; I742-Q745 PolarHBondContact O-N 2.99Å; I742-I746 HydrophobicContact CG2-CD1 3.69Å; I742-I746 HydrophobicContact CG2-CG1 4.36Å; I742-I746 WeakPolarHBondContact O-CB 3.4Å; I742-I746 VanDerWaalsContact O-CG1 3.29Å; I742-I746 WeakPolarHBondContact O-CG1 3.31Å; I742-I746 PolarHBondContact O-N 2.78Å |
| 743 | R | 96 | Very high | 90.7 | Very high | 120 Ų | 120 | 103.3 Ų | 103.3 | 45% | 0.453 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.8 | -41.2 | 174 | -76.4 | -172.1 | -69 | 172.7 | -1.2 | 111.8 | W739 E740 G747 | W739-R743 HydrophobicContact CD2-CG 4.48Å; W739-R743 WeakPolarHBondContact O-CB 3.48Å; W739-R743 VanDerWaalsContact O-CG 3.26Å; W739-R743 WeakPolarHBondContact O-CG 3.42Å; W739-R743 PolarHBondContact O-N 3.33Å; E740-R743 IonicContact OE1-NH2 2.62Å; E740-R743 PolarHBondContact OE1-NH2 3Å; R743-G747 PolarHBondContact O-N 3.4Å |
| 744 | T | 97.2 | Very high | 92.8 | Very high | 89 Ų | 89 | 100.9 Ų | 100.9 | 55% | 0.546 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.2 | -38.3 | 176.6 | -56 | 0 | 0 | 0 | 0 | 112.2 | E740 A741 I742 G747 T748 | E740-T744 VanDerWaalsContact O-CB 3.31Å; E740-T744 WeakPolarHBondContact O-CB 3.31Å; E740-T744 PolarHBondContact O-N 2.87Å; E740-T744 PolarHBondContact O-OG1 3.41Å; A741-T744 PolarHBondContact O-N 3.27Å; I742-T744 VanDerWaalsContact C-N 3.3Å; I742-T744 PolarHBondContact O-N 2.85Å; T744-G747 PolarHBondContact O-N 3.47Å; T744-T748 HydrophobicContact CG2-CG2 4.38Å; T744-T748 WeakPolarHBondContact O-CB 3.45Å; T744-T748 WeakPolarHBondContact O-CG2 3.42Å; T744-T748 PolarHBondContact O-N 3.43Å; T744-T748 PolarHBondContact O-OG1 3.07Å |
| 745 | Q | 97.6 | Very high | 94.4 | Very high | 134 Ų | 134 | 96.8 Ų | 96.8 | 63% | 0.626 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.7 | -43.1 | 176.1 | -173.9 | -178.7 | 10 | 0 | 0 | 111.5 | A741 I742 T748 A749 | A741-Q745 VanDerWaalsContact O-CB 3.28Å; A741-Q745 WeakPolarHBondContact O-CB 3.48Å; A741-Q745 PolarHBondContact O-N 3.26Å; I742-Q745 PolarHBondContact O-N 2.99Å; Q745-T748 PolarHBondContact O-OG1 3.2Å; Q745-A749 WeakPolarHBondContact O-CB 3.5Å; Q745-A749 PolarHBondContact O-N 2.88Å |
| 746 | I | 97.4 | Very high | 95.3 | Very high | 105 Ų | 105 | 102 Ų | 102 | 54% | 0.538 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64 | -47.9 | 173.8 | -68.7 | 168.5 | 0 | 0 | 0 | 109.8 | I742 A749 L750 | I742-I746 HydrophobicContact CG2-CD1 3.69Å; I742-I746 HydrophobicContact CG2-CG1 4.36Å; I742-I746 WeakPolarHBondContact O-CB 3.4Å; I742-I746 VanDerWaalsContact O-CG1 3.29Å; I742-I746 WeakPolarHBondContact O-CG1 3.31Å; I742-I746 PolarHBondContact O-N 2.78Å; I746-A749 PolarHBondContact O-N 3.03Å; I746-L750 VanDerWaalsContact O-CB 3.24Å; I746-L750 WeakPolarHBondContact O-CB 3.5Å; I746-L750 PolarHBondContact O-N 3.47Å |
| 747 | G | 98.3 | Very high | 95.7 | Very high | 30 Ų | 30 | 102.8 Ų | 102.8 | 31% | 0.309 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58 | -52.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | R743 T744 A749 L750 T751 | R743-G747 PolarHBondContact O-N 3.4Å; T744-G747 PolarHBondContact O-N 3.47Å; G747-A749 VanDerWaalsContact C-N 3.34Å; G747-A749 PolarHBondContact O-N 3.04Å; G747-L750 PolarHBondContact O-N 3.34Å; G747-T751 PolarHBondContact O-N 2.66Å; G747-T751 PolarHBondContact O-OG1 3.34Å; G747-T751 VanDerWaalsContact O-OG1 3.07Å |
| 748 | T | 97.9 | Very high | 96 | Very high | 81 Ų | 81 | 98.3 Ų | 98.3 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66 | -32.1 | 178.7 | 53.5 | 0 | 0 | 0 | 0 | 113.4 | T744 Q745 R752 | T744-T748 HydrophobicContact CG2-CG2 4.38Å; T744-T748 WeakPolarHBondContact O-CB 3.45Å; T744-T748 WeakPolarHBondContact O-CG2 3.42Å; T744-T748 PolarHBondContact O-N 3.43Å; T744-T748 PolarHBondContact O-OG1 3.07Å; Q745-T748 PolarHBondContact O-OG1 3.2Å; T748-R752 WeakPolarHBondContact O-CB 3.38Å; T748-R752 PolarHBondContact O-N 2.88Å; T748-R752 PolarHBondContact O-NH1 3.39Å |
| 749 | A | 98.1 | Very high | 96.4 | Very high | 28 Ų | 28 | 97.3 Ų | 97.3 | 23% | 0.231 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -70.6 | -38.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q745 I746 G747 R753 | Q745-A749 WeakPolarHBondContact O-CB 3.5Å; Q745-A749 PolarHBondContact O-N 2.88Å; I746-A749 PolarHBondContact O-N 3.03Å; G747-A749 VanDerWaalsContact C-N 3.34Å; G747-A749 PolarHBondContact O-N 3.04Å; A749-R753 WeakPolarHBondContact O-CG 3.37Å; A749-R753 PolarHBondContact O-N 3.24Å |
| 750 | L | 98.3 | Very high | 96.7 | Very high | 91 Ų | 91 | 95.9 Ų | 95.9 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.6 | -49.3 | 176.9 | -179.6 | 60.9 | 0 | 0 | 0 | 111 | I746 G747 R752 R753 L754 | I746-L750 VanDerWaalsContact O-CB 3.24Å; I746-L750 WeakPolarHBondContact O-CB 3.5Å; I746-L750 PolarHBondContact O-N 3.47Å; G747-L750 PolarHBondContact O-N 3.34Å; L750-R752 VanDerWaalsContact C-N 3.27Å; L750-R752 PolarHBondContact O-N 3.49Å; L750-R753 CarbonylContact O-C 3.31Å; L750-R753 PolarHBondContact O-N 2.82Å; L750-L754 HydrophobicContact CD1-CD1 4Å; L750-L754 HydrophobicContact CD1-CD2 4.42Å; L750-L754 HydrophobicContact CD1-CG 3.95Å; L750-L754 HydrophobicContact CD2-CD1 4.48Å; L750-L754 HydrophobicContact CG-CD1 3.84Å; L750-L754 HydrophobicContact CG-CG 4.22Å; L750-L754 WeakPolarHBondContact O-CG 3.14Å; L750-L754 PolarHBondContact O-N 3.22Å |
| 751 | T | 97.8 | Very high | 96.7 | Very high | 95 Ų | 95 | 98.4 Ų | 98.4 | 58% | 0.583 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -53.8 | -45 | 175.6 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | G747 R753 L754 S755 | G747-T751 PolarHBondContact O-N 2.66Å; G747-T751 PolarHBondContact O-OG1 3.34Å; G747-T751 VanDerWaalsContact O-OG1 3.07Å; T751-R753 PolarHBondContact O-N 2.88Å; T751-L754 PolarHBondContact O-N 3.43Å; T751-S755 WeakPolarHBondContact O-CB 3.12Å; T751-S755 PolarHBondContact O-N 3.14Å; T751-S755 PolarHBondContact O-OG 2.8Å |
| 752 | R | 98.1 | Very high | 96.7 | Very high | 140 Ų | 140 | 98.9 Ų | 98.9 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.5 | -36.4 | 176.6 | -175 | 173.3 | 67 | -101.5 | 4.7 | 113.3 | T748 L750 S755 Q756 | T748-R752 WeakPolarHBondContact O-CB 3.38Å; T748-R752 PolarHBondContact O-N 2.88Å; T748-R752 PolarHBondContact O-NH1 3.39Å; L750-R752 VanDerWaalsContact C-N 3.27Å; L750-R752 PolarHBondContact O-N 3.49Å; R752-S755 PolarHBondContact O-OG 3.49Å; R752-Q756 WeakPolarHBondContact O-CB 3.33Å; R752-Q756 VanDerWaalsContact O-CG 3.31Å; R752-Q756 WeakPolarHBondContact O-CG 3.49Å; R752-Q756 PolarHBondContact O-N 2.78Å |
| 753 | R | 97.9 | Very high | 96.7 | Very high | 191 Ų | 191 | 98.4 Ų | 98.4 | 72% | 0.721 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.9 | -40.8 | 174.8 | -77.7 | 176.4 | 173.4 | -173.3 | -1.6 | 111.7 | A749 L750 T751 Q756 R757 | A749-R753 WeakPolarHBondContact O-CG 3.37Å; A749-R753 PolarHBondContact O-N 3.24Å; L750-R753 CarbonylContact O-C 3.31Å; L750-R753 PolarHBondContact O-N 2.82Å; T751-R753 PolarHBondContact O-N 2.88Å; R753-Q756 CarbonylContact O-C 3.6Å; R753-Q756 VanDerWaalsContact O-C 3.31Å; R753-Q756 PolarHBondContact O-N 2.85Å; R753-Q756 VanDerWaalsContact O-N 3.17Å; R753-R757 PolarHBondContact O-N 2.81Å |
| 754 | L | 97.2 | Very high | 96.5 | Very high | 100 Ų | 100 | 96.7 Ų | 96.7 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.1 | -38.9 | 178.3 | -68.2 | 175.4 | 0 | 0 | 0 | 111.7 | L750 T751 Q756 R757 | L750-L754 HydrophobicContact CD1-CD1 4Å; L750-L754 HydrophobicContact CD1-CD2 4.42Å; L750-L754 HydrophobicContact CD1-CG 3.95Å; L750-L754 HydrophobicContact CD2-CD1 4.48Å; L750-L754 HydrophobicContact CG-CD1 3.84Å; L750-L754 HydrophobicContact CG-CG 4.22Å; L750-L754 WeakPolarHBondContact O-CG 3.14Å; L750-L754 PolarHBondContact O-N 3.22Å; T751-L754 PolarHBondContact O-N 3.43Å; L754-Q756 PolarHBondContact O-N 2.91Å; L754-R757 WeakPolarHBondContact O-CB 3.4Å; L754-R757 PolarHBondContact O-N 3.36Å |
| 755 | S | 97.2 | Very high | 96.4 | Very high | 94 Ų | 94 | 98.9 Ų | 98.9 | 66% | 0.657 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -4.5 | 172.7 | 72.8 | 0 | 0 | 0 | 0 | 114.2 | T751 R752 | T751-S755 WeakPolarHBondContact O-CB 3.12Å; T751-S755 PolarHBondContact O-N 3.14Å; T751-S755 PolarHBondContact O-OG 2.8Å; R752-S755 PolarHBondContact O-OG 3.49Å |
| 756 | Q | 96.2 | Very high | 96.3 | Very high | 140 Ų | 140 | 98.7 Ų | 98.7 | 65% | 0.654 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.4 | 16.7 | 176.5 | -65.5 | -179.1 | -16.9 | 0 | 0 | 111.9 | R752 R753 L754 P758 | R752-Q756 WeakPolarHBondContact O-CB 3.33Å; R752-Q756 VanDerWaalsContact O-CG 3.31Å; R752-Q756 WeakPolarHBondContact O-CG 3.49Å; R752-Q756 PolarHBondContact O-N 2.78Å; R753-Q756 CarbonylContact O-C 3.6Å; R753-Q756 VanDerWaalsContact O-C 3.31Å; R753-Q756 PolarHBondContact O-N 2.85Å; R753-Q756 VanDerWaalsContact O-N 3.17Å; L754-Q756 PolarHBondContact O-N 2.91Å; Q756-P758 WeakPolarHBondContact O-CD 3.4Å |
| 757 | R | 96.9 | Very high | 95.9 | Very high | 196 Ų | 196 | 98.5 Ų | 98.5 | 74% | 0.74 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 119.3 | -179.9 | -178.6 | 179.9 | 179.4 | 177.7 | 1.5 | 109.7 | R753 L754 | R753-R757 PolarHBondContact O-N 2.81Å; L754-R757 WeakPolarHBondContact O-CB 3.4Å; L754-R757 PolarHBondContact O-N 3.36Å |
| 758 | P | 96.9 | Very high | 95.7 | Very high | 54 Ų | 54 | 102.7 Ų | 102.7 | 35% | 0.351 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 152 | 173.4 | -20.4 | 33.4 | 0 | 0 | 0 | 111.5 | Q756 E762 L763 | Q756-P758 WeakPolarHBondContact O-CD 3.4Å; P758-E762 HydrophobicContact CB-CB 4.05Å; P758-L763 HydrophobicContact CB-CD2 4.07Å; P758-L763 HydrophobicContact CB-CG 4.23Å; P758-L763 HydrophobicContact CG-CD2 4.29Å |
| 759 | T | 96.3 | Very high | 95.3 | Very high | 76 Ų | 76 | 102.1 Ų | 102.1 | 47% | 0.466 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -68 | 164.1 | 172.2 | 73.3 | 0 | 0 | 0 | 0 | 111.2 | E761 E762 L763 | T759-E761 VanDerWaalsContact C-N 3.34Å; T759-E762 WeakPolarHBondContact O-CB 3.44Å; T759-E762 PolarHBondContact O-N 2.81Å; T759-E762 WeakPolarHBondContact OG1-CB 3.38Å; T759-E762 PolarHBondContact OG1-N 3.5Å; T759-L763 WeakPolarHBondContact O-CG 3.3Å; T759-L763 PolarHBondContact O-N 3.29Å |
| 760 | A | 94.5 | Very high | 94.8 | Very high | 62 Ų | 62 | 105.8 Ų | 105.8 | 51% | 0.512 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E762 L763 E764 L769 | A760-E762 VanDerWaalsContact C-N 3.32Å; A760-E762 PolarHBondContact O-N 3.29Å; A760-L763 WeakPolarHBondContact O-CB 3.43Å; A760-L763 PolarHBondContact O-N 3.23Å; A760-E764 PolarHBondContact O-N 3.16Å; A760-L769 HydrophobicContact CB-CD2 3.89Å |
| 761 | E | 92.2 | Very high | 93.9 | Very high | 121 Ų | 121 | 104.5 Ų | 104.5 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.4 | -41.1 | 174.4 | -165.1 | -160.9 | 153.4 | 0 | 0 | 111.8 | T759 L763 E764 Q765 | T759-E761 VanDerWaalsContact C-N 3.34Å; E761-L763 PolarHBondContact O-N 2.98Å; E761-E764 WeakPolarHBondContact O-CB 3.24Å; E761-E764 PolarHBondContact O-N 3.07Å; E761-E764 VanDerWaalsContact O-N 3.11Å; E761-Q765 HydrophobicContact CG-CG 4.45Å; E761-Q765 WeakPolarHBondContact O-CB 3.37Å; E761-Q765 VanDerWaalsContact O-CG 3.25Å; E761-Q765 WeakPolarHBondContact O-CG 3.32Å; E761-Q765 PolarHBondContact O-N 3.13Å; E761-Q765 PolarHBondContact OE1-NE2 3.17Å |
| 762 | E | 94.6 | Very high | 92.7 | Very high | 67 Ų | 67 | 109.7 Ų | 109.7 | 31% | 0.313 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.5 | -23.3 | 175.1 | -98.8 | -158.9 | -96.9 | 0 | 0 | 113.9 | P758 T759 A760 R766 | P758-E762 HydrophobicContact CB-CB 4.05Å; T759-E762 WeakPolarHBondContact O-CB 3.44Å; T759-E762 PolarHBondContact O-N 2.81Å; T759-E762 WeakPolarHBondContact OG1-CB 3.38Å; T759-E762 PolarHBondContact OG1-N 3.5Å; A760-E762 VanDerWaalsContact C-N 3.32Å; A760-E762 PolarHBondContact O-N 3.29Å; E762-R766 VanDerWaalsContact O-CG 3.28Å; E762-R766 WeakPolarHBondContact O-CG 3.15Å; E762-R766 PolarHBondContact O-NH1 3.26Å; E762-R766 IonicContact OE2-CZ 3.23Å; E762-R766 IonicContact OE2-NH1 2.75Å; E762-R766 PolarHBondContact OE2-NH1 2.69Å; E762-R766 IonicContact OE2-NH2 3.07Å; E762-R766 PolarHBondContact OE2-NH2 3.47Å |
| 763 | L | 95.3 | Very high | 92.1 | Very high | 52 Ų | 52 | 106.3 Ų | 106.3 | 27% | 0.272 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -85.9 | -31.1 | 172.6 | -64.1 | 175.1 | 0 | 0 | 0 | 111.4 | P758 T759 A760 E761 R766 N767 I768 L769 | P758-L763 HydrophobicContact CB-CD2 4.07Å; P758-L763 HydrophobicContact CB-CG 4.23Å; P758-L763 HydrophobicContact CG-CD2 4.29Å; T759-L763 WeakPolarHBondContact O-CG 3.3Å; T759-L763 PolarHBondContact O-N 3.29Å; A760-L763 WeakPolarHBondContact O-CB 3.43Å; A760-L763 PolarHBondContact O-N 3.23Å; E761-L763 PolarHBondContact O-N 2.98Å; L763-R766 CarbonylContact O-C 3.6Å; L763-R766 PolarHBondContact O-N 2.82Å; L763-N767 PolarHBondContact O-N 2.82Å; L763-I768 HydrophobicContact CB-CB 4.31Å; L763-I768 HydrophobicContact CD2-CB 4.31Å; L763-I768 HydrophobicContact CD2-CD1 4.04Å; L763-I768 HydrophobicContact CD2-CG2 4.23Å; L763-I768 PolarHBondContact O-N 3.21Å; L763-L769 HydrophobicContact CB-CB 3.72Å; L763-L769 PolarHBondContact O-N 2.76Å |
| 764 | E | 91.8 | Very high | 91.7 | Very high | 85 Ų | 85 | 101.7 Ų | 101.7 | 40% | 0.397 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.5 | -48.8 | 175.1 | -170.4 | 175.8 | 169.6 | 0 | 0 | 111.6 | A760 E761 R766 N767 L769 P771 | A760-E764 PolarHBondContact O-N 3.16Å; E761-E764 WeakPolarHBondContact O-CB 3.24Å; E761-E764 PolarHBondContact O-N 3.07Å; E761-E764 VanDerWaalsContact O-N 3.11Å; E764-R766 PolarHBondContact O-N 3.46Å; E764-R766 VanDerWaalsContact O-N 3.1Å; E764-N767 WeakPolarHBondContact O-CA 3.26Å; E764-N767 PolarHBondContact O-N 3.5Å; E764-L769 WeakPolarHBondContact CA-O 3.01Å; E764-P771 HydrophobicContact CG-CG 4.23Å; E764-P771 WeakPolarHBondContact OE1-CG 3.45Å |
| 765 | Q | 93.1 | Very high | 91.4 | Very high | 135 Ų | 135 | 99.5 Ų | 99.5 | 63% | 0.631 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -25.5 | 170.9 | -69.3 | 174 | 11.6 | 0 | 0 | 113.1 | E761 | E761-Q765 HydrophobicContact CG-CG 4.45Å; E761-Q765 WeakPolarHBondContact O-CB 3.37Å; E761-Q765 VanDerWaalsContact O-CG 3.25Å; E761-Q765 WeakPolarHBondContact O-CG 3.32Å; E761-Q765 PolarHBondContact O-N 3.13Å; E761-Q765 PolarHBondContact OE1-NE2 3.17Å |
| 766 | R | 95.9 | Very high | 91 | Very high | 130 Ų | 130 | 100 Ų | 100 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 2.6 | 175.6 | -69.1 | -175.1 | -172.5 | 98.7 | -5.3 | 113.8 | E762 L763 E764 I768 | E762-R766 VanDerWaalsContact O-CG 3.28Å; E762-R766 WeakPolarHBondContact O-CG 3.15Å; E762-R766 PolarHBondContact O-NH1 3.26Å; E762-R766 IonicContact OE2-CZ 3.23Å; E762-R766 IonicContact OE2-NH1 2.75Å; E762-R766 PolarHBondContact OE2-NH1 2.69Å; E762-R766 IonicContact OE2-NH2 3.07Å; E762-R766 PolarHBondContact OE2-NH2 3.47Å; L763-R766 CarbonylContact O-C 3.6Å; L763-R766 PolarHBondContact O-N 2.82Å; E764-R766 PolarHBondContact O-N 3.46Å; E764-R766 VanDerWaalsContact O-N 3.1Å; R766-I768 HydrophobicContact CB-CD1 3.85Å; R766-I768 HydrophobicContact CB-CG1 4.05Å; R766-I768 PolarHBondContact O-N 3.49Å |
| 767 | N | 89.8 | Confident | 90.6 | Very high | 101 Ų | 101 | 96.4 Ų | 96.4 | 54% | 0.54 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 38.2 | -177.9 | -170.9 | -117.9 | 0 | 0 | 0 | 112.4 | L763 E764 | L763-N767 PolarHBondContact O-N 2.82Å; E764-N767 WeakPolarHBondContact O-CA 3.26Å; E764-N767 PolarHBondContact O-N 3.5Å |
| 768 | I | 93.3 | Very high | 90.4 | Very high | 117 Ų | 117 | 90.9 Ų | 90.9 | 60% | 0.6 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -102.6 | -44.9 | 174 | -60.6 | 169.8 | 0 | 0 | 0 | 109.5 | L763 R766 | L763-I768 HydrophobicContact CB-CB 4.31Å; L763-I768 HydrophobicContact CD2-CB 4.31Å; L763-I768 HydrophobicContact CD2-CD1 4.04Å; L763-I768 HydrophobicContact CD2-CG2 4.23Å; L763-I768 PolarHBondContact O-N 3.21Å; R766-I768 HydrophobicContact CB-CD1 3.85Å; R766-I768 HydrophobicContact CB-CG1 4.05Å; R766-I768 PolarHBondContact O-N 3.49Å |
| 769 | L | 91 | Very high | 90.3 | Very high | 69 Ų | 69 | 90.3 Ų | 90.3 | 36% | 0.361 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -90.8 | 143 | 162.3 | -173.4 | 63.1 | 0 | 0 | 0 | 107.5 | A760 L763 E764 | A760-L769 HydrophobicContact CB-CD2 3.89Å; L763-L769 HydrophobicContact CB-CB 3.72Å; L763-L769 PolarHBondContact O-N 2.76Å; E764-L769 WeakPolarHBondContact CA-O 3.01Å |
| 770 | Q | 85.9 | Confident | 90.2 | Very high | 105 Ų | 105 | 92.5 Ų | 92.5 | 49% | 0.491 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -99.7 | 145.7 | 172.5 | -62.6 | -175.4 | 3.4 | 0 | 0 | 109.6 | K772 | Q770-K772 PolarHBondContact O-N 3.03Š|
| 771 | P | 79.6 | Confident | 90.3 | Very high | 64 Ų | 64 | 94 Ų | 94 | 42% | 0.416 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 131.6 | 169.3 | -19.8 | 29.9 | 0 | 0 | 0 | 109 | E764 N773 R777 | E764-P771 HydrophobicContact CG-CG 4.23Å; E764-P771 WeakPolarHBondContact OE1-CG 3.45Å; P771-N773 VanDerWaalsContact C-N 3.29Å; P771-N773 PolarHBondContact O-N 3.29Å; P771-R777 PolarHBondContact O-NH1 3.34Å |
| 772 | K | 73.9 | Confident | 90.5 | Very high | 205 Ų | 205 | 91.7 Ų | 91.7 | 89% | 0.891 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -61.4 | -28.6 | -153.9 | -71.1 | -175 | 179.7 | 178.6 | 0 | 116.1 | Q770 | Q770-K772 PolarHBondContact O-N 3.03Š|
| 773 | N | 85.6 | Confident | 90.7 | Very high | 69 Ų | 69 | 91.2 Ų | 91.2 | 37% | 0.369 | 45% | 0.454 | S | S | . | . | trans | -82.9 | 130.3 | -176.6 | -164.4 | -4.1 | 0 | 0 | 0 | 111.6 | P771 A775 D776 R777 | P771-N773 VanDerWaalsContact C-N 3.29Å; P771-N773 PolarHBondContact O-N 3.29Å; N773-A775 WeakPolarHBondContact OD1-CB 3.2Å; N773-A775 PolarHBondContact OD1-N 3.38Å; N773-D776 HydrophobicContact CB-CB 4.01Å; N773-D776 WeakPolarHBondContact CB-OD2 3.17Å; N773-D776 PolarHBondContact ND2-OD1 2.74Å; N773-D776 PolarHBondContact ND2-OD2 2.84Å; N773-R777 WeakPolarHBondContact O-CG 3.4Å; N773-R777 PolarHBondContact O-NH1 2.93Å | ||
| 774 | Q | 89.1 | Confident | 90.8 | Very high | 94 Ų | 94 | 92 Ų | 92 | 44% | 0.439 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -80.7 | -34.6 | 172.3 | 165.8 | 60.9 | 17.5 | 0 | 0 | 111.3 | R777 Q778 | Q774-R777 PolarHBondContact O-N 3.15Å; Q774-Q778 PolarHBondContact O-N 2.84Å; Q774-Q778 PolarHBondContact O-OE1 3.19Å |
| 775 | A | 89.7 | Confident | 91.1 | Very high | 53 Ų | 53 | 93.2 Ų | 93.2 | 44% | 0.438 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | N773 R777 Q778 A779 | N773-A775 WeakPolarHBondContact OD1-CB 3.2Å; N773-A775 PolarHBondContact OD1-N 3.38Å; A775-R777 PolarHBondContact O-N 2.94Å; A775-Q778 CarbonylContact O-C 3.56Å; A775-Q778 PolarHBondContact O-N 3.4Å; A775-A779 PolarHBondContact O-N 3.1Å |
| 776 | D | 89.3 | Confident | 91.4 | Very high | 106 Ų | 106 | 94 Ų | 94 | 57% | 0.567 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -58.1 | -37.4 | 175.8 | -62.6 | -20.5 | 0 | 0 | 0 | 112.1 | N773 A779 E780 | N773-D776 HydrophobicContact CB-CB 4.01Å; N773-D776 WeakPolarHBondContact CB-OD2 3.17Å; N773-D776 PolarHBondContact ND2-OD1 2.74Å; N773-D776 PolarHBondContact ND2-OD2 2.84Å; D776-A779 PolarHBondContact O-N 3.38Å; D776-E780 WeakPolarHBondContact O-CB 3.37Å; D776-E780 PolarHBondContact O-N 3.43Å |
| 777 | R | 88.3 | Confident | 91.5 | Very high | 63 Ų | 63 | 92.5 Ų | 92.5 | 24% | 0.238 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -68.9 | -38.7 | 175.6 | -65.7 | -172.7 | -54.2 | -110.4 | 10.7 | 111.9 | P771 N773 Q774 A775 V781 | P771-R777 PolarHBondContact O-NH1 3.34Å; N773-R777 WeakPolarHBondContact O-CG 3.4Å; N773-R777 PolarHBondContact O-NH1 2.93Å; Q774-R777 PolarHBondContact O-N 3.15Å; A775-R777 PolarHBondContact O-N 2.94Å; R777-V781 WeakPolarHBondContact O-CB 3.49Å; R777-V781 VanDerWaalsContact O-CG2 3.24Å; R777-V781 WeakPolarHBondContact O-CG2 3.46Å; R777-V781 PolarHBondContact O-N 3.38Å |
| 778 | Q | 93.3 | Very high | 91.9 | Very high | 80 Ų | 80 | 92.1 Ų | 92.1 | 37% | 0.374 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66 | -44.5 | 174.3 | -73.9 | 171.7 | -85.3 | 0 | 0 | 110.9 | Q774 A775 E780 V781 R782 | Q774-Q778 PolarHBondContact O-N 2.84Å; Q774-Q778 PolarHBondContact O-OE1 3.19Å; A775-Q778 CarbonylContact O-C 3.56Å; A775-Q778 PolarHBondContact O-N 3.4Å; Q778-E780 PolarHBondContact O-N 3.32Å; Q778-V781 CarbonylContact O-C 3.57Å; Q778-V781 PolarHBondContact O-N 2.86Å; Q778-R782 WeakPolarHBondContact O-CB 3.41Å; Q778-R782 WeakPolarHBondContact O-CG 3.48Å; Q778-R782 PolarHBondContact O-N 3.04Å |
| 779 | A | 94.3 | Very high | 92.1 | Very high | 42 Ų | 42 | 90.9 Ų | 90.9 | 35% | 0.347 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A775 D776 R782 E783 | A775-A779 PolarHBondContact O-N 3.1Å; D776-A779 PolarHBondContact O-N 3.38Å; A779-R782 PolarHBondContact O-N 3.2Å; A779-E783 WeakPolarHBondContact O-CB 3.28Å; A779-E783 PolarHBondContact O-N 3.07Å |
| 780 | E | 94.4 | Very high | 92.5 | Very high | 123 Ų | 123 | 93.8 Ų | 93.8 | 58% | 0.575 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.3 | -42.6 | 173.7 | -162.7 | -165.3 | 175.9 | 0 | 0 | 111.2 | D776 Q778 I784 | D776-E780 WeakPolarHBondContact O-CB 3.37Å; D776-E780 PolarHBondContact O-N 3.43Å; Q778-E780 PolarHBondContact O-N 3.32Å; E780-I784 HydrophobicContact CG-CD1 3.85Å; E780-I784 HydrophobicContact CG-CG1 4.45Å; E780-I784 VanDerWaalsContact O-CB 3.26Å; E780-I784 WeakPolarHBondContact O-CB 3.45Å; E780-I784 WeakPolarHBondContact O-CD1 3.27Å; E780-I784 WeakPolarHBondContact O-CG1 3.34Å; E780-I784 PolarHBondContact O-N 2.94Å |
| 781 | V | 96 | Very high | 93 | Very high | 93 Ų | 93 | 95.5 Ų | 95.5 | 56% | 0.564 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.1 | -41 | 176.5 | 167.3 | 0 | 0 | 0 | 0 | 111.7 | R777 Q778 I784 K785 | R777-V781 WeakPolarHBondContact O-CB 3.49Å; R777-V781 VanDerWaalsContact O-CG2 3.24Å; R777-V781 WeakPolarHBondContact O-CG2 3.46Å; R777-V781 PolarHBondContact O-N 3.38Å; Q778-V781 CarbonylContact O-C 3.57Å; Q778-V781 PolarHBondContact O-N 2.86Å; V781-I784 PolarHBondContact O-N 2.95Å; V781-K785 VanDerWaalsContact O-CB 3.31Å; V781-K785 WeakPolarHBondContact O-CB 3.44Å; V781-K785 PolarHBondContact O-N 3.26Å |
| 782 | R | 97.1 | Very high | 93.9 | Very high | 73 Ų | 73 | 97 Ų | 97 | 28% | 0.275 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.2 | -47.6 | 175.2 | -75.3 | -168.2 | -84.9 | 112.8 | -11.8 | 111.7 | E603 E604 Q778 A779 I784 K785 R786 | E603-R782 VanDerWaalsContact CD-CD 3.5Å; E603-R782 WeakPolarHBondContact OE1-CD 3.12Å; E603-R782 IonicContact OE1-NE 2.72Å; E603-R782 PolarHBondContact OE1-NE 3.29Å; E604-R782 WeakPolarHBondContact OE1-CD 3.49Å; E604-R782 IonicContact OE1-CZ 3.16Å; E604-R782 IonicContact OE1-NE 3.18Å; E604-R782 IonicContact OE1-NH1 2.67Å; E604-R782 PolarHBondContact OE1-NH1 3.25Å; Q778-R782 WeakPolarHBondContact O-CB 3.41Å; Q778-R782 WeakPolarHBondContact O-CG 3.48Å; Q778-R782 PolarHBondContact O-N 3.04Å; A779-R782 PolarHBondContact O-N 3.2Å; R782-I784 PolarHBondContact O-N 3.27Å; R782-K785 WeakPolarHBondContact O-CB 3.19Å; R782-K785 PolarHBondContact O-N 3.17Å; R782-R786 VanDerWaalsContact O-CB 3.3Å; R782-R786 WeakPolarHBondContact O-CB 3.46Å; R782-R786 PolarHBondContact O-N 2.99Å |
| 783 | E | 97.6 | Very high | 95 | Very high | 57 Ų | 57 | 91.7 Ų | 91.7 | 27% | 0.266 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.7 | -36.7 | 173.4 | 169.1 | 52.8 | -157.7 | 0 | 0 | 112 | A779 R786 R787 | A779-E783 WeakPolarHBondContact O-CB 3.28Å; A779-E783 PolarHBondContact O-N 3.07Å; E783-R786 IonicContact OE2-CZ 3.95Å; E783-R786 VanDerWaalsContact OE2-CZ 3.27Å; E783-R786 IonicContact OE2-NE 2.73Å; E783-R786 PolarHBondContact OE2-NE 2.76Å; E783-R786 IonicContact OE2-NH2 2.59Å; E783-R786 PolarHBondContact OE2-NH2 3.38Å; E783-R787 WeakPolarHBondContact O-CB 3.45Å; E783-R787 PolarHBondContact O-N 2.89Å; E783-R787 WeakPolarHBondContact OE1-CD 3.43Å |
| 784 | I | 98.2 | Very high | 95.5 | Very high | 68 Ų | 68 | 95.4 Ų | 95.4 | 35% | 0.349 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 172.8 | -74.5 | 166.4 | 0 | 0 | 0 | 110.9 | E780 V781 R782 L788 | E780-I784 HydrophobicContact CG-CD1 3.85Å; E780-I784 HydrophobicContact CG-CG1 4.45Å; E780-I784 VanDerWaalsContact O-CB 3.26Å; E780-I784 WeakPolarHBondContact O-CB 3.45Å; E780-I784 WeakPolarHBondContact O-CD1 3.27Å; E780-I784 WeakPolarHBondContact O-CG1 3.34Å; E780-I784 PolarHBondContact O-N 2.94Å; V781-I784 PolarHBondContact O-N 2.95Å; R782-I784 PolarHBondContact O-N 3.27Å; I784-L788 WeakPolarHBondContact O-CB 3.4Å; I784-L788 PolarHBondContact O-N 2.87Å |
| 785 | K | 98.4 | Very high | 95.8 | Very high | 111 Ų | 111 | 99.8 Ų | 99.8 | 48% | 0.483 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -56.8 | -58 | 174.3 | 178.6 | -167.7 | 176.6 | -164.3 | 0 | 109.6 | V781 R782 R787 L788 T789 | V781-K785 VanDerWaalsContact O-CB 3.31Å; V781-K785 WeakPolarHBondContact O-CB 3.44Å; V781-K785 PolarHBondContact O-N 3.26Å; R782-K785 WeakPolarHBondContact O-CB 3.19Å; R782-K785 PolarHBondContact O-N 3.17Å; K785-R787 PolarHBondContact O-N 3.48Å; K785-L788 PolarHBondContact O-N 3.48Å; K785-T789 WeakPolarHBondContact O-CB 3.11Å; K785-T789 PolarHBondContact O-N 2.76Å; K785-T789 PolarHBondContact O-OG1 2.95Å; K785-T789 VanDerWaalsContact O-OG1 3.07Å |
| 786 | R | 98.4 | Very high | 96.1 | Very high | 150 Ų | 150 | 99.7 Ų | 99.7 | 57% | 0.566 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -53.6 | -51.2 | 179.2 | -167.8 | 175.3 | 75.8 | 152.8 | -4.3 | 112.4 | R782 E783 T789 R790 | R782-R786 VanDerWaalsContact O-CB 3.3Å; R782-R786 WeakPolarHBondContact O-CB 3.46Å; R782-R786 PolarHBondContact O-N 2.99Å; E783-R786 IonicContact OE2-CZ 3.95Å; E783-R786 VanDerWaalsContact OE2-CZ 3.27Å; E783-R786 IonicContact OE2-NE 2.73Å; E783-R786 PolarHBondContact OE2-NE 2.76Å; E783-R786 IonicContact OE2-NH2 2.59Å; E783-R786 PolarHBondContact OE2-NH2 3.38Å; R786-T789 PolarHBondContact O-N 3.35Å; R786-R790 PolarHBondContact O-N 2.93Å |
| 787 | R | 98.3 | Very high | 96.3 | Very high | 100 Ų | 100 | 98.6 Ų | 98.6 | 38% | 0.377 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.4 | -32.7 | 180 | -174.5 | 173.8 | 63.3 | -167.8 | -1.3 | 113.4 | E783 K785 K791 | E783-R787 WeakPolarHBondContact O-CB 3.45Å; E783-R787 PolarHBondContact O-N 2.89Å; E783-R787 WeakPolarHBondContact OE1-CD 3.43Å; K785-R787 PolarHBondContact O-N 3.48Å; R787-K791 WeakPolarHBondContact O-CB 3.31Å; R787-K791 WeakPolarHBondContact O-CG 3.45Å; R787-K791 PolarHBondContact O-N 3.24Å |
| 788 | L | 98.4 | Very high | 96.5 | Very high | 93 Ų | 93 | 99.6 Ų | 99.6 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -72 | -48.1 | 174.8 | 178.6 | 59.8 | 0 | 0 | 0 | 110.6 | I784 K785 R790 K791 L792 | I784-L788 WeakPolarHBondContact O-CB 3.4Å; I784-L788 PolarHBondContact O-N 2.87Å; K785-L788 PolarHBondContact O-N 3.48Å; L788-R790 VanDerWaalsContact C-N 3.34Å; L788-R790 PolarHBondContact O-N 3.02Å; L788-K791 CarbonylContact O-C 3.5Å; L788-K791 WeakPolarHBondContact O-CA 3.46Å; L788-K791 PolarHBondContact O-N 2.7Å; L788-L792 HydrophobicContact CD1-CD1 3.96Å; L788-L792 HydrophobicContact CD1-CG 4Å; L788-L792 HydrophobicContact CG-CD1 3.88Å; L788-L792 HydrophobicContact CG-CG 4.33Å; L788-L792 WeakPolarHBondContact O-CG 3.47Å; L788-L792 PolarHBondContact O-N 3.19Å |
| 789 | T | 98 | Very high | 96.4 | Very high | 91 Ų | 91 | 98.9 Ų | 98.9 | 56% | 0.558 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -55.7 | -47.7 | 176.6 | -60.9 | 0 | 0 | 0 | 0 | 111 | K785 R786 K791 L792 S793 | K785-T789 WeakPolarHBondContact O-CB 3.11Å; K785-T789 PolarHBondContact O-N 2.76Å; K785-T789 PolarHBondContact O-OG1 2.95Å; K785-T789 VanDerWaalsContact O-OG1 3.07Å; R786-T789 PolarHBondContact O-N 3.35Å; T789-K791 VanDerWaalsContact C-N 3.31Å; T789-K791 PolarHBondContact O-N 2.93Å; T789-L792 PolarHBondContact O-N 3.09Å; T789-L792 VanDerWaalsContact O-N 3.1Å; T789-S793 PolarHBondContact O-N 3.07Å; T789-S793 PolarHBondContact O-OG 2.9Å |
| 790 | R | 98.1 | Very high | 96.3 | Very high | 130 Ų | 130 | 99.8 Ų | 99.8 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.4 | -36.5 | 174.8 | -169.6 | 172.3 | 73.6 | -142.7 | 2.9 | 113.5 | R786 L788 S793 Q794 | R786-R790 PolarHBondContact O-N 2.93Å; L788-R790 VanDerWaalsContact C-N 3.34Å; L788-R790 PolarHBondContact O-N 3.02Å; R790-S793 PolarHBondContact O-OG 2.82Å; R790-Q794 WeakPolarHBondContact O-CB 3.41Å; R790-Q794 WeakPolarHBondContact O-CG 3.45Å; R790-Q794 PolarHBondContact O-N 3.11Å |
| 791 | K | 98.1 | Very high | 96.3 | Very high | 141 Ų | 141 | 96 Ų | 96 | 61% | 0.613 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -75.4 | -25.8 | 176 | -78.7 | 179.6 | 176.9 | -176.9 | 0 | 113.6 | R787 L788 T789 | R787-K791 WeakPolarHBondContact O-CB 3.31Å; R787-K791 WeakPolarHBondContact O-CG 3.45Å; R787-K791 PolarHBondContact O-N 3.24Å; L788-K791 CarbonylContact O-C 3.5Å; L788-K791 WeakPolarHBondContact O-CA 3.46Å; L788-K791 PolarHBondContact O-N 2.7Å; T789-K791 VanDerWaalsContact C-N 3.31Å; T789-K791 PolarHBondContact O-N 2.93Å |
| 792 | L | 97.1 | Very high | 96 | Very high | 96 Ų | 96 | 94.9 Ų | 94.9 | 50% | 0.503 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -84.5 | -33 | 178.3 | -70.2 | 176.2 | 0 | 0 | 0 | 112.3 | L788 T789 R795 | L788-L792 HydrophobicContact CD1-CD1 3.96Å; L788-L792 HydrophobicContact CD1-CG 4Å; L788-L792 HydrophobicContact CG-CD1 3.88Å; L788-L792 HydrophobicContact CG-CG 4.33Å; L788-L792 WeakPolarHBondContact O-CG 3.47Å; L788-L792 PolarHBondContact O-N 3.19Å; T789-L792 PolarHBondContact O-N 3.09Å; T789-L792 VanDerWaalsContact O-N 3.1Å; L792-R795 VanDerWaalsContact O-CB 3.23Å; L792-R795 WeakPolarHBondContact O-CB 3.49Å |
| 793 | S | 96.7 | Very high | 95.8 | Very high | 93 Ų | 93 | 95.3 Ų | 95.3 | 65% | 0.65 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -69 | -39.4 | 172.1 | 62.1 | 0 | 0 | 0 | 0 | 112 | T789 R790 R795 | T789-S793 PolarHBondContact O-N 3.07Å; T789-S793 PolarHBondContact O-OG 2.9Å; R790-S793 PolarHBondContact O-OG 2.82Å; S793-R795 PolarHBondContact O-N 3.26Å; S793-R795 VanDerWaalsContact O-N 3.13Å |
| 794 | Q | 96.3 | Very high | 95.7 | Very high | 146 Ų | 146 | 99.7 Ų | 99.7 | 68% | 0.682 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 28.6 | 176.3 | -62.2 | 179.5 | -7.7 | 0 | 0 | 113.5 | R790 | R790-Q794 WeakPolarHBondContact O-CB 3.41Å; R790-Q794 WeakPolarHBondContact O-CG 3.45Å; R790-Q794 PolarHBondContact O-N 3.11Å |
| 795 | R | 96.5 | Very high | 95.3 | Very high | 186 Ų | 186 | 104.3 Ų | 104.3 | 70% | 0.702 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -80.5 | 120.9 | -176.5 | -177.5 | 175.9 | 179.5 | 174.7 | -0.6 | 111 | L792 S793 | L792-R795 VanDerWaalsContact O-CB 3.23Å; L792-R795 WeakPolarHBondContact O-CB 3.49Å; S793-R795 PolarHBondContact O-N 3.26Å; S793-R795 VanDerWaalsContact O-N 3.13Å |
| 796 | P | 95.5 | Very high | 94.9 | Very high | 52 Ų | 52 | 104.1 Ų | 104.1 | 34% | 0.338 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 147.7 | -177.1 | 27.5 | -35.9 | 0 | 0 | 0 | 112.5 | E800 L801 | P796-E800 WeakPolarHBondContact CA-OE2 3.46Å; P796-E800 VanDerWaalsContact CB-CD 3.49Å; P796-E800 HydrophobicContact CB-CG 4.31Å; P796-E800 WeakPolarHBondContact CB-OE2 3.06Å; P796-L801 HydrophobicContact CB-CD2 4.19Å; P796-L801 HydrophobicContact CB-CG 4.31Å; P796-L801 HydrophobicContact CG-CD1 4.5Å; P796-L801 HydrophobicContact CG-CD2 3.91Å; P796-L801 HydrophobicContact CG-CG 4.28Å |
| 797 | T | 94.4 | Very high | 94.4 | Very high | 83 Ų | 83 | 99.1 Ų | 99.1 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -76 | 160.4 | -177.2 | 67.7 | 0 | 0 | 0 | 0 | 112.4 | A799 E800 L801 | T797-A799 VanDerWaalsContact C-N 3.29Å; T797-A799 PolarHBondContact O-N 3.46Å; T797-E800 PolarHBondContact N-OE2 2.96Å; T797-E800 WeakPolarHBondContact O-CB 3.48Å; T797-E800 PolarHBondContact O-N 3.48Å; T797-E800 VanDerWaalsContact OG1-CB 3.22Å; T797-E800 WeakPolarHBondContact OG1-CB 3.4Å; T797-E800 PolarHBondContact OG1-N 2.82Å; T797-E800 VanDerWaalsContact OG1-N 3.15Å; T797-L801 WeakPolarHBondContact O-CG 3.39Å; T797-L801 PolarHBondContact O-N 2.74Å |
| 798 | V | 91.3 | Very high | 93.6 | Very high | 84 Ų | 84 | 105 Ų | 105 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.1 | -41.6 | 175.9 | 179.4 | 0 | 0 | 0 | 0 | 111.2 | L801 Q802 L807 | V798-L801 PolarHBondContact O-N 2.72Å; V798-Q802 WeakPolarHBondContact O-CG 3.25Å; V798-Q802 PolarHBondContact O-N 2.78Å; V798-L807 HydrophobicContact CG1-CD2 4.09Å |
| 799 | A | 91 | Very high | 92.6 | Very high | 64 Ų | 64 | 107.3 Ų | 107.3 | 53% | 0.529 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T797 Q802 A803 | T797-A799 VanDerWaalsContact C-N 3.29Å; T797-A799 PolarHBondContact O-N 3.46Å; A799-Q802 PolarHBondContact O-N 3.18Å; A799-A803 WeakPolarHBondContact O-CB 3.37Å; A799-A803 PolarHBondContact O-N 3.07Å |
| 800 | E | 93.4 | Very high | 91.3 | Very high | 62 Ų | 62 | 110 Ų | 110 | 29% | 0.29 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 175.2 | -178 | -173 | 175.1 | 0 | 0 | 112.1 | P796 T797 A803 R804 | P796-E800 WeakPolarHBondContact CA-OE2 3.46Å; P796-E800 VanDerWaalsContact CB-CD 3.49Å; P796-E800 HydrophobicContact CB-CG 4.31Å; P796-E800 WeakPolarHBondContact CB-OE2 3.06Å; T797-E800 PolarHBondContact N-OE2 2.96Å; T797-E800 WeakPolarHBondContact O-CB 3.48Å; T797-E800 PolarHBondContact O-N 3.48Å; T797-E800 VanDerWaalsContact OG1-CB 3.22Å; T797-E800 WeakPolarHBondContact OG1-CB 3.4Å; T797-E800 PolarHBondContact OG1-N 2.82Å; T797-E800 VanDerWaalsContact OG1-N 3.15Å; E800-A803 PolarHBondContact O-N 2.82Å; E800-R804 WeakPolarHBondContact O-CB 3.21Å; E800-R804 WeakPolarHBondContact O-CG 3.46Å; E800-R804 PolarHBondContact O-N 3.19Å; E800-R804 IonicContact OE1-CZ 3.43Å; E800-R804 IonicContact OE1-NH1 2.59Å; E800-R804 PolarHBondContact OE1-NH1 3.33Å; E800-R804 IonicContact OE1-NH2 3.43Å; E800-R804 PolarHBondContact OE1-NH2 3.02Å |
| 801 | L | 93.4 | Very high | 90.1 | Very high | 43 Ų | 43 | 110.7 Ų | 110.7 | 23% | 0.225 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -68.9 | -32.4 | 175.2 | -67 | 175.3 | 0 | 0 | 0 | 112.8 | P796 T797 V798 K805 I806 L807 | P796-L801 HydrophobicContact CB-CD2 4.19Å; P796-L801 HydrophobicContact CB-CG 4.31Å; P796-L801 HydrophobicContact CG-CD1 4.5Å; P796-L801 HydrophobicContact CG-CD2 3.91Å; P796-L801 HydrophobicContact CG-CG 4.28Å; T797-L801 WeakPolarHBondContact O-CG 3.39Å; T797-L801 PolarHBondContact O-N 2.74Å; V798-L801 PolarHBondContact O-N 2.72Å; L801-K805 PolarHBondContact O-N 2.92Å; L801-I806 HydrophobicContact CD2-CB 4.3Å; L801-I806 HydrophobicContact CD2-CD1 3.79Å; L801-I806 HydrophobicContact CD2-CG2 4.26Å; L801-I806 WeakPolarHBondContact O-CB 3.31Å; L801-I806 PolarHBondContact O-N 3.02Å; L801-L807 HydrophobicContact CB-CB 4.45Å; L801-L807 PolarHBondContact O-N 3.01Å; L801-L807 VanDerWaalsContact O-N 3.09Å |
| 802 | Q | 90 | Very high | 88.4 | Confident | 70 Ų | 70 | 112.9 Ų | 112.9 | 33% | 0.327 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -71.9 | -44.4 | 171.6 | -74.7 | 171.3 | -11 | 0 | 0 | 111.6 | V798 A799 R804 K805 L807 | V798-Q802 WeakPolarHBondContact O-CG 3.25Å; V798-Q802 PolarHBondContact O-N 2.78Å; A799-Q802 PolarHBondContact O-N 3.18Å; Q802-R804 VanDerWaalsContact C-N 3.33Å; Q802-R804 PolarHBondContact O-N 2.86Å; Q802-K805 WeakPolarHBondContact O-CA 3.38Å; Q802-K805 PolarHBondContact O-N 2.85Å; Q802-L807 HydrophobicContact CG-CB 3.95Å; Q802-L807 HydrophobicContact CG-CD2 4.03Å |
| 803 | A | 92.8 | Very high | 87.2 | Confident | 81 Ų | 81 | 114.1 Ų | 114.1 | 67% | 0.669 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.1 | -40.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | A799 E800 K805 | A799-A803 WeakPolarHBondContact O-CB 3.37Å; A799-A803 PolarHBondContact O-N 3.07Å; E800-A803 PolarHBondContact O-N 2.82Å; A803-K805 PolarHBondContact O-N 3.48Å |
| 804 | R | 94.6 | Very high | 86 | Confident | 150 Ų | 150 | 118.2 Ų | 118.2 | 57% | 0.566 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 0.5 | 170.7 | -67.8 | -173.6 | -175.3 | 128.9 | 13.3 | 114.1 | E800 Q802 I806 | E800-R804 WeakPolarHBondContact O-CB 3.21Å; E800-R804 WeakPolarHBondContact O-CG 3.46Å; E800-R804 PolarHBondContact O-N 3.19Å; E800-R804 IonicContact OE1-CZ 3.43Å; E800-R804 IonicContact OE1-NH1 2.59Å; E800-R804 PolarHBondContact OE1-NH1 3.33Å; E800-R804 IonicContact OE1-NH2 3.43Å; E800-R804 PolarHBondContact OE1-NH2 3.02Å; Q802-R804 VanDerWaalsContact C-N 3.33Å; Q802-R804 PolarHBondContact O-N 2.86Å; R804-I806 HydrophobicContact CB-CD1 3.78Å; R804-I806 HydrophobicContact CB-CG1 3.94Å; R804-I806 PolarHBondContact O-N 3.1Å; R804-I806 VanDerWaalsContact O-N 3.12Å |
| 805 | K | 90.8 | Very high | 84.8 | Confident | 164 Ų | 164 | 117.6 Ų | 117.6 | 71% | 0.713 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 56.2 | 24.9 | -179.8 | -57.2 | 174.8 | -176.7 | 174 | 0 | 114.1 | L801 Q802 A803 | L801-K805 PolarHBondContact O-N 2.92Å; Q802-K805 WeakPolarHBondContact O-CA 3.38Å; Q802-K805 PolarHBondContact O-N 2.85Å; A803-K805 PolarHBondContact O-N 3.48Å |
| 806 | I | 90.9 | Very high | 83.5 | Confident | 107 Ų | 107 | 114.2 Ų | 114.2 | 55% | 0.549 | 58% | 0.577 | S | S | . | * | trans | -74.6 | -45.9 | 173.4 | -62.1 | 167.8 | 0 | 0 | 0 | 108.4 | L801 R804 | L801-I806 HydrophobicContact CD2-CB 4.3Å; L801-I806 HydrophobicContact CD2-CD1 3.79Å; L801-I806 HydrophobicContact CD2-CG2 4.26Å; L801-I806 WeakPolarHBondContact O-CB 3.31Å; L801-I806 PolarHBondContact O-N 3.02Å; R804-I806 HydrophobicContact CB-CD1 3.78Å; R804-I806 HydrophobicContact CB-CG1 3.94Å; R804-I806 PolarHBondContact O-N 3.1Å; R804-I806 VanDerWaalsContact O-N 3.12Å | ||
| 807 | L | 87.7 | Confident | 82.4 | Confident | 46 Ų | 46 | 121.1 Ų | 121.1 | 24% | 0.241 | 60% | 0.604 | C | S | . | * | trans | -83.5 | 118.2 | 166.9 | -141.7 | 75.9 | 0 | 0 | 0 | 109 | V798 L801 Q802 F809 | V798-L807 HydrophobicContact CG1-CD2 4.09Å; L801-L807 HydrophobicContact CB-CB 4.45Å; L801-L807 PolarHBondContact O-N 3.01Å; L801-L807 VanDerWaalsContact O-N 3.09Å; Q802-L807 HydrophobicContact CG-CB 3.95Å; Q802-L807 HydrophobicContact CG-CD2 4.03Å; L807-F809 HydrophobicContact CD1-CD1 4.43Å; L807-F809 HydrophobicContact CD1-CE1 3.63Å; L807-F809 HydrophobicContact CD1-CE2 4.29Å; L807-F809 HydrophobicContact CD1-CZ 3.56Å; L807-F809 HydrophobicContact CD2-CD2 4.45Å; L807-F809 HydrophobicContact CD2-CE2 4.02Å; L807-F809 HydrophobicContact CD2-CZ 4.13Å; L807-F809 HydrophobicContact CG-CD1 4.25Å; L807-F809 HydrophobicContact CG-CD2 4.49Å; L807-F809 HydrophobicContact CG-CE1 3.9Å; L807-F809 HydrophobicContact CG-CE2 4.15Å; L807-F809 HydrophobicContact CG-CZ 3.86Å | ||
| 808 | R | 81.1 | Confident | 81.4 | Confident | 224 Ų | 224 | 120.8 Ų | 120.8 | 85% | 0.845 | 61% | 0.61 | S | S | * | * | trans | -108.5 | -5 | 179.4 | -55.2 | -173.2 | -157.5 | 132.6 | 5 | 114.2 | ||||
| 809 | F | 76.4 | Confident | 80.7 | Confident | 141 Ų | 141 | 124.9 Ų | 124.9 | 62% | 0.618 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -97.7 | 136.3 | 168.7 | 59.6 | -91.8 | 0 | 0 | 0 | 108.5 | L807 | L807-F809 HydrophobicContact CD1-CD1 4.43Å; L807-F809 HydrophobicContact CD1-CE1 3.63Å; L807-F809 HydrophobicContact CD1-CE2 4.29Å; L807-F809 HydrophobicContact CD1-CZ 3.56Å; L807-F809 HydrophobicContact CD2-CD2 4.45Å; L807-F809 HydrophobicContact CD2-CE2 4.02Å; L807-F809 HydrophobicContact CD2-CZ 4.13Å; L807-F809 HydrophobicContact CG-CD1 4.25Å; L807-F809 HydrophobicContact CG-CD2 4.49Å; L807-F809 HydrophobicContact CG-CE1 3.9Å; L807-F809 HydrophobicContact CG-CE2 4.15Å; L807-F809 HydrophobicContact CG-CZ 3.86Å |
| 810 | H | 71.8 | Confident | 80 | Confident | 147 Ų | 147 | 128.8 Ų | 128.8 | 68% | 0.681 | 64% | 0.635 | S | S | * | * | trans | -76.9 | 145.4 | 163.7 | -61.6 | 95.5 | 0 | 0 | 0 | 107.9 | Y812 | H810-Y812 WeakPolarHBondContact CB-O 3.35Å; H810-Y812 PolarHBondContact O-N 3.4Å | ||
| 811 | E | 72 | Confident | 79.1 | Confident | 144 Ų | 144 | 133.1 Ų | 133.1 | 67% | 0.673 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -61.9 | -33.5 | 178.5 | -177.5 | 170.5 | -157.6 | 0 | 0 | 111.5 | ||
| 812 | Y | 63.3 | Low | 78.3 | Confident | 187 Ų | 187 | 135.7 Ų | 135.7 | 73% | 0.733 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -98.8 | 123.8 | 171.9 | -56.1 | -82.4 | 0 | 0 | 0 | 109.4 | H810 | H810-Y812 WeakPolarHBondContact CB-O 3.35Å; H810-Y812 PolarHBondContact O-N 3.4Å |
| 813 | V | 70.7 | Confident | 77.4 | Confident | 122 Ų | 122 | 140.4 Ų | 140.4 | 74% | 0.739 | 68% | 0.679 | S | S | * | * | trans | -91.6 | 122.3 | 165.9 | 178.8 | 0 | 0 | 0 | 0 | 107.2 | V815 | V813-V815 PolarHBondContact O-N 3.27Š| ||
| 814 | E | 73.3 | Confident | 76.5 | Confident | 179 Ų | 179 | 146.5 Ų | 146.5 | 84% | 0.836 | 69% | 0.685 | S | S | * | * | trans | -65.6 | 104.1 | 170.6 | -68.3 | -178.6 | 174 | 0 | 0 | 109.3 | T816 | E814-T816 PolarHBondContact O-N 3.04Š| ||
| 815 | V | 70.1 | Confident | 75.2 | Confident | 133 Ų | 133 | 142.4 Ų | 142.4 | 81% | 0.806 | 68% | 0.682 | S | S | * | * | trans | -83.9 | 88.7 | 175.3 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | V813 | V813-V815 PolarHBondContact O-N 3.27Š| ||
| 816 | T | 69.9 | Low | 74.2 | Confident | 116 Ų | 116 | 140 Ų | 140 | 71% | 0.712 | 68% | 0.678 | S | S | * | * | trans | -69.5 | 139.6 | 165.8 | 44.3 | 0 | 0 | 0 | 0 | 110 | E814 A818 | E814-T816 PolarHBondContact O-N 3.04Å; T816-A818 PolarHBondContact O-N 2.77Å | ||
| 817 | E | 70.7 | Confident | 73.6 | Confident | 197 Ų | 197 | 139.9 Ų | 139.9 | 92% | 0.921 | 67% | 0.673 | S | S | * | * | trans | -68 | 104.2 | 174.8 | -67.7 | -168.1 | 153.1 | 0 | 0 | 109.7 | ||||
| 818 | A | 75.3 | Confident | 72.7 | Confident | 75 Ų | 75 | 142.1 Ų | 142.1 | 62% | 0.62 | 69% | 0.69 | S | S | * | * | trans | -73 | 135.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | T816 D820 | T816-A818 PolarHBondContact O-N 2.77Å; A818-D820 PolarHBondContact O-N 2.89Å | ||
| 819 | Q | 75.7 | Confident | 72.1 | Confident | 170 Ų | 170 | 139.4 Ų | 139.4 | 79% | 0.794 | 68% | 0.68 | S | S | * | * | trans | -52.5 | 122.9 | 173.3 | -135.4 | 85.3 | 31.7 | 0 | 0 | 110.3 | Y821 | Q819-Y821 VanDerWaalsContact O-CD1 3.25Å; Q819-Y821 WeakPolarHBondContact O-CD1 3.49Å; Q819-Y821 PolarHBondContact O-N 3.24Å | ||
| 820 | D | 76.4 | Confident | 72.1 | Confident | 147 Ų | 147 | 137.1 Ų | 137.1 | 79% | 0.786 | 68% | 0.678 | S | S | * | * | trans | -78.3 | 72.9 | 179.5 | -113.8 | -14.9 | 0 | 0 | 0 | 110.7 | A818 | A818-D820 PolarHBondContact O-N 2.89Š| ||
| 821 | Y | 73.5 | Confident | 72.5 | Confident | 153 Ų | 153 | 136.6 Ų | 136.6 | 60% | 0.6 | 67% | 0.674 | S | S | * | * | trans | -72.2 | 141.8 | 171.9 | 64.9 | -91 | 0 | 0 | 0 | 110.6 | Q819 R823 | Q819-Y821 VanDerWaalsContact O-CD1 3.25Å; Q819-Y821 WeakPolarHBondContact O-CD1 3.49Å; Q819-Y821 PolarHBondContact O-N 3.24Å; Y821-R823 HydrophobicContact CD2-CG 4.14Å; Y821-R823 HydrophobicContact CE2-CG 3.71Å; Y821-R823 PolarHBondContact O-N 3.46Å | ||
| 822 | D | 77.1 | Confident | 73.2 | Confident | 96 Ų | 96 | 132.3 Ų | 132.3 | 51% | 0.513 | 66% | 0.655 | S | S | . | * | trans | -67.9 | 100.3 | -177.8 | -176.3 | 18.3 | 0 | 0 | 0 | 111.9 | R824 A825 | D822-R824 PolarHBondContact O-N 2.86Å; D822-R824 WeakPolarHBondContact OD1-CA 3.44Å; D822-R824 WeakPolarHBondContact OD1-CB 3.18Å; D822-R824 VanDerWaalsContact OD1-CG 3.23Å; D822-R824 WeakPolarHBondContact OD1-CG 3.26Å; D822-R824 PolarHBondContact OD1-N 2.86Å; D822-A825 WeakPolarHBondContact O-CB 3.46Å; D822-A825 PolarHBondContact O-N 2.8Å | ||
| 823 | R | 72.2 | Confident | 74.5 | Confident | 170 Ų | 170 | 126.3 Ų | 126.3 | 64% | 0.642 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -3.3 | 173.8 | -59.4 | -176.6 | -177.5 | 110.4 | 5.3 | 113.2 | Y821 | Y821-R823 HydrophobicContact CD2-CG 4.14Å; Y821-R823 HydrophobicContact CE2-CG 3.71Å; Y821-R823 PolarHBondContact O-N 3.46Å |
| 824 | R | 72.2 | Confident | 75.5 | Confident | 209 Ų | 209 | 126 Ų | 126 | 79% | 0.789 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 1.2 | 173.1 | -46.2 | 172.2 | 70.7 | -138 | 1.1 | 112.9 | D822 | D822-R824 PolarHBondContact O-N 2.86Å; D822-R824 WeakPolarHBondContact OD1-CA 3.44Å; D822-R824 WeakPolarHBondContact OD1-CB 3.18Å; D822-R824 VanDerWaalsContact OD1-CG 3.23Å; D822-R824 WeakPolarHBondContact OD1-CG 3.26Å; D822-R824 PolarHBondContact OD1-N 2.86Å |
| 825 | A | 69 | Low | 76.4 | Confident | 63 Ų | 63 | 120.6 Ų | 120.6 | 52% | 0.521 | 62% | 0.624 | S | S | . | * | trans | -44.2 | 153.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D822 K827 | D822-A825 WeakPolarHBondContact O-CB 3.46Å; D822-A825 PolarHBondContact O-N 2.8Å; A825-K827 VanDerWaalsContact C-N 3.28Å; A825-K827 PolarHBondContact O-N 3.17Å | ||
| 826 | D | 68.4 | Low | 77.4 | Confident | 114 Ų | 114 | 117.3 Ų | 117.3 | 61% | 0.61 | 60% | 0.602 | S | S | * | * | trans | -77.1 | 71.8 | -158.2 | -156 | 3.5 | 0 | 0 | 0 | 113.8 | P828 K831 | D826-P828 WeakPolarHBondContact O-CD 3.48Å; D826-K831 VanDerWaalsContact CG-CE 3.44Å; D826-K831 WeakPolarHBondContact OD2-CE 3.04Å; D826-K831 IonicContact OD2-NZ 2.64Å; D826-K831 PolarHBondContact OD2-NZ 3.41Å | ||
| 827 | K | 78 | Confident | 78.5 | Confident | 105 Ų | 105 | 116.3 Ų | 116.3 | 46% | 0.457 | 59% | 0.588 | S | S | . | * | trans | -16.4 | 93.3 | 175.5 | -63.2 | 164.4 | -165.9 | 154 | 0 | 113.5 | A825 W829 T830 | A825-K827 VanDerWaalsContact C-N 3.28Å; A825-K827 PolarHBondContact O-N 3.17Å; K827-W829 HydrophobicContact CB-CD2 4.12Å; K827-W829 HydrophobicContact CB-CH2 4.18Å; K827-W829 HydrophobicContact CB-CZ2 3.74Å; K827-W829 HydrophobicContact CD-CZ2 4.09Å; K827-W829 HydrophobicContact CG-CH2 3.99Å; K827-W829 HydrophobicContact CG-CZ2 3.57Å; K827-W829 PolarHBondContact O-N 3.04Å; K827-W829 VanDerWaalsContact O-N 3.12Å; K827-T830 WeakPolarHBondContact CB-OG1 3.42Å; K827-T830 WeakPolarHBondContact O-CA 3.31Å; K827-T830 WeakPolarHBondContact O-CB 3.3Å; K827-T830 PolarHBondContact O-N 3.34Å; K827-T830 PolarHBondContact O-OG1 2.81Å | ||
| 828 | P | 69.1 | Low | 79.5 | Confident | 92 Ų | 92 | 108.4 Ų | 108.4 | 60% | 0.597 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.9 | -31.2 | -169 | 21.1 | -32.7 | 0 | 0 | 0 | 113.1 | D826 T830 K831 L832 | D826-P828 WeakPolarHBondContact O-CD 3.48Å; P828-T830 PolarHBondContact O-N 3.49Å; P828-T830 VanDerWaalsContact O-N 3.09Å; P828-K831 PolarHBondContact O-N 3.37Å; P828-L832 PolarHBondContact O-N 3.02Å |
| 829 | W | 69.3 | Low | 80.4 | Confident | 168 Ų | 168 | 107.5 Ų | 107.5 | 64% | 0.636 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.8 | -19.5 | 173.3 | 61.3 | 84.3 | 0 | 0 | 0 | 114.6 | K827 L832 | K827-W829 HydrophobicContact CB-CD2 4.12Å; K827-W829 HydrophobicContact CB-CH2 4.18Å; K827-W829 HydrophobicContact CB-CZ2 3.74Å; K827-W829 HydrophobicContact CD-CZ2 4.09Å; K827-W829 HydrophobicContact CG-CH2 3.99Å; K827-W829 HydrophobicContact CG-CZ2 3.57Å; K827-W829 PolarHBondContact O-N 3.04Å; K827-W829 VanDerWaalsContact O-N 3.12Å; W829-L832 HydrophobicContact CB-CD1 4.14Å |
| 830 | T | 75.8 | Confident | 81.2 | Confident | 92 Ų | 92 | 102.5 Ų | 102.5 | 56% | 0.564 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -77.4 | -28 | 174.6 | -40.1 | 0 | 0 | 0 | 0 | 111.6 | K827 P828 | K827-T830 WeakPolarHBondContact CB-OG1 3.42Å; K827-T830 WeakPolarHBondContact O-CA 3.31Å; K827-T830 WeakPolarHBondContact O-CB 3.3Å; K827-T830 PolarHBondContact O-N 3.34Å; K827-T830 PolarHBondContact O-OG1 2.81Å; P828-T830 PolarHBondContact O-N 3.49Å; P828-T830 VanDerWaalsContact O-N 3.09Å |
| 831 | K | 81.4 | Confident | 82 | Confident | 137 Ų | 137 | 100.1 Ų | 100.1 | 60% | 0.596 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -86.7 | -14.8 | 178.8 | -62.6 | -176.1 | -180 | 178.9 | 0 | 113.9 | D826 P828 T833 | D826-K831 VanDerWaalsContact CG-CE 3.44Å; D826-K831 WeakPolarHBondContact OD2-CE 3.04Å; D826-K831 IonicContact OD2-NZ 2.64Å; D826-K831 PolarHBondContact OD2-NZ 3.41Å; P828-K831 PolarHBondContact O-N 3.37Å; K831-T833 PolarHBondContact O-N 3.17Å |
| 832 | L | 86.2 | Confident | 83.1 | Confident | 53 Ų | 53 | 98.8 Ų | 98.8 | 28% | 0.277 | 50% | 0.504 | S | S | . | . | trans | -50.8 | 123 | 175.3 | -70.7 | 171.5 | 0 | 0 | 0 | 111.3 | P828 W829 D836 K837 I840 | P828-L832 PolarHBondContact O-N 3.02Å; W829-L832 HydrophobicContact CB-CD1 4.14Å; L832-D836 WeakPolarHBondContact CA-OD2 3.33Å; L832-D836 HydrophobicContact CB-CB 4.31Å; L832-D836 HydrophobicContact CD2-CB 3.67Å; L832-K837 HydrophobicContact CB-CD 4.3Å; L832-K837 HydrophobicContact CB-CG 4.05Å; L832-K837 HydrophobicContact CD1-CG 4.46Å; L832-K837 PolarHBondContact O-NZ 2.89Å; L832-I840 HydrophobicContact CD1-CD1 3.99Å; L832-I840 HydrophobicContact CD2-CD1 3.92Å | ||
| 833 | T | 90.1 | Very high | 84 | Confident | 62 Ų | 62 | 100.4 Ų | 100.4 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | trans | -67.5 | 167 | 174.3 | 74.1 | 0 | 0 | 0 | 0 | 111.1 | K831 A835 D836 K837 | K831-T833 PolarHBondContact O-N 3.17Å; T833-A835 PolarHBondContact O-N 3.05Å; T833-A835 PolarHBondContact OG1-N 3.17Å; T833-D836 WeakPolarHBondContact CB-OD2 3.43Å; T833-D836 WeakPolarHBondContact CG2-OD2 3.24Å; T833-D836 PolarHBondContact N-OD2 3.29Å; T833-D836 PolarHBondContact O-N 3.26Å; T833-D836 PolarHBondContact OG1-N 3.2Å; T833-D836 PolarHBondContact OG1-OD1 3.43Å; T833-D836 PolarHBondContact OG1-OD2 3.49Å; T833-K837 WeakPolarHBondContact O-CG 3.31Å; T833-K837 PolarHBondContact O-N 3.39Å; T833-K837 VanDerWaalsContact O-N 3.08Å | ||
| 834 | P | 92.2 | Very high | 85.1 | Confident | 114 Ų | 114 | 96 Ų | 96 | 74% | 0.74 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.6 | -31.1 | 169.2 | -24.4 | 35.7 | 0 | 0 | 0 | 113 | A838 | P834-A838 WeakPolarHBondContact O-CB 3.36Å; P834-A838 PolarHBondContact O-N 3.3Å |
| 835 | A | 91 | Very high | 86.1 | Confident | 66 Ų | 66 | 87.2 Ų | 87.2 | 55% | 0.545 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -69.3 | -47.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T833 K837 A838 A839 | T833-A835 PolarHBondContact O-N 3.05Å; T833-A835 PolarHBondContact OG1-N 3.17Å; A835-K837 VanDerWaalsContact C-N 3.27Å; A835-K837 PolarHBondContact O-N 2.77Å; A835-A838 CarbonylContact O-C 3.53Å; A835-A838 WeakPolarHBondContact O-CA 3.35Å; A835-A838 WeakPolarHBondContact O-CB 3.48Å; A835-A838 PolarHBondContact O-N 3.39Å; A835-A839 PolarHBondContact O-N 2.98Å |
| 836 | D | 92.7 | Very high | 87.3 | Confident | 64 Ų | 64 | 87.2 Ų | 87.2 | 34% | 0.342 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.3 | -40.1 | 177.8 | -41.9 | -28.9 | 0 | 0 | 0 | 110.6 | L832 T833 A838 A839 I840 | L832-D836 WeakPolarHBondContact CA-OD2 3.33Å; L832-D836 HydrophobicContact CB-CB 4.31Å; L832-D836 HydrophobicContact CD2-CB 3.67Å; T833-D836 WeakPolarHBondContact CB-OD2 3.43Å; T833-D836 WeakPolarHBondContact CG2-OD2 3.24Å; T833-D836 PolarHBondContact N-OD2 3.29Å; T833-D836 PolarHBondContact O-N 3.26Å; T833-D836 PolarHBondContact OG1-N 3.2Å; T833-D836 PolarHBondContact OG1-OD1 3.43Å; T833-D836 PolarHBondContact OG1-OD2 3.49Å; D836-A838 VanDerWaalsContact C-N 3.33Å; D836-A838 PolarHBondContact O-N 3.1Å; D836-A839 PolarHBondContact O-N 3.27Å; D836-I840 WeakPolarHBondContact O-CB 3.29Å; D836-I840 WeakPolarHBondContact O-CD1 3.22Å; D836-I840 VanDerWaalsContact O-CG1 3.24Å; D836-I840 WeakPolarHBondContact O-CG1 3.35Å; D836-I840 PolarHBondContact O-N 2.84Å |
| 837 | K | 92.5 | Very high | 88.6 | Confident | 95 Ų | 95 | 87 Ų | 87 | 41% | 0.413 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.8 | -35.8 | 174.6 | -77 | 162.4 | 175.5 | 140.9 | 0 | 112.3 | L832 T833 A835 R841 | L832-K837 HydrophobicContact CB-CD 4.3Å; L832-K837 HydrophobicContact CB-CG 4.05Å; L832-K837 HydrophobicContact CD1-CG 4.46Å; L832-K837 PolarHBondContact O-NZ 2.89Å; T833-K837 WeakPolarHBondContact O-CG 3.31Å; T833-K837 PolarHBondContact O-N 3.39Å; T833-K837 VanDerWaalsContact O-N 3.08Å; A835-K837 VanDerWaalsContact C-N 3.27Å; A835-K837 PolarHBondContact O-N 2.77Å; K837-R841 WeakPolarHBondContact O-CB 3.28Å; K837-R841 VanDerWaalsContact O-CG 3.23Å; K837-R841 WeakPolarHBondContact O-CG 3.16Å; K837-R841 PolarHBondContact O-N 3.23Å; K837-R841 VanDerWaalsContact O-N 3.16Å |
| 838 | A | 91.9 | Very high | 89.3 | Confident | 31 Ų | 31 | 84 Ų | 84 | 26% | 0.256 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -71.4 | -41.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P834 A835 D836 R841 K842 | P834-A838 WeakPolarHBondContact O-CB 3.36Å; P834-A838 PolarHBondContact O-N 3.3Å; A835-A838 CarbonylContact O-C 3.53Å; A835-A838 WeakPolarHBondContact O-CA 3.35Å; A835-A838 WeakPolarHBondContact O-CB 3.48Å; A835-A838 PolarHBondContact O-N 3.39Å; D836-A838 VanDerWaalsContact C-N 3.33Å; D836-A838 PolarHBondContact O-N 3.1Å; A838-R841 PolarHBondContact O-N 3.3Å; A838-K842 PolarHBondContact O-N 2.87Å |
| 839 | A | 93.4 | Very high | 90.3 | Very high | 56 Ų | 56 | 81.7 Ų | 81.7 | 46% | 0.463 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.9 | -50 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A835 D836 R841 K842 E843 | A835-A839 PolarHBondContact O-N 2.98Å; D836-A839 PolarHBondContact O-N 3.27Å; A839-R841 VanDerWaalsContact C-N 3.31Å; A839-R841 PolarHBondContact O-N 2.78Å; A839-K842 CarbonylContact O-C 3.38Å; A839-K842 WeakPolarHBondContact O-CA 3.45Å; A839-K842 WeakPolarHBondContact O-CB 3.48Å; A839-K842 PolarHBondContact O-N 2.78Å; A839-E843 WeakPolarHBondContact O-CB 3.4Å; A839-E843 PolarHBondContact O-N 3.45Å |
| 840 | I | 92.4 | Very high | 91.3 | Very high | 66 Ų | 66 | 79.1 Ų | 79.1 | 34% | 0.338 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.1 | -38.4 | 176.1 | -66.7 | 162.8 | 0 | 0 | 0 | 111.2 | L832 D836 K842 L844 | L832-I840 HydrophobicContact CD1-CD1 3.99Å; L832-I840 HydrophobicContact CD2-CD1 3.92Å; D836-I840 WeakPolarHBondContact O-CB 3.29Å; D836-I840 WeakPolarHBondContact O-CD1 3.22Å; D836-I840 VanDerWaalsContact O-CG1 3.24Å; D836-I840 WeakPolarHBondContact O-CG1 3.35Å; D836-I840 PolarHBondContact O-N 2.84Å; I840-K842 VanDerWaalsContact C-N 3.34Å; I840-L844 HydrophobicContact CG2-CD1 3.84Å; I840-L844 HydrophobicContact CG2-CG 4.32Å; I840-L844 VanDerWaalsContact O-CB 3.27Å; I840-L844 WeakPolarHBondContact O-CB 3.46Å; I840-L844 WeakPolarHBondContact O-CG 3.4Å; I840-L844 PolarHBondContact O-N 2.84Å |
| 841 | R | 94.6 | Very high | 92.1 | Very high | 96 Ų | 96 | 81.3 Ų | 81.3 | 36% | 0.362 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.3 | -36.1 | 173.7 | -76.5 | -176 | -45.7 | -161.2 | 10.2 | 112.5 | K837 A838 A839 N845 H865 R866 P867 | K837-R841 WeakPolarHBondContact O-CB 3.28Å; K837-R841 VanDerWaalsContact O-CG 3.23Å; K837-R841 WeakPolarHBondContact O-CG 3.16Å; K837-R841 PolarHBondContact O-N 3.23Å; K837-R841 VanDerWaalsContact O-N 3.16Å; A838-R841 PolarHBondContact O-N 3.3Å; A839-R841 VanDerWaalsContact C-N 3.31Å; A839-R841 PolarHBondContact O-N 2.78Å; R841-N845 WeakPolarHBondContact O-CB 3.31Å; R841-N845 PolarHBondContact O-N 3.03Å; R841-N845 PolarHBondContact O-ND2 2.79Å; R841-N845 PolarHBondContact O-OD1 3.25Å; R841-H865 HydrophobicContact CB-CB 3.98Å; R841-H865 HydrophobicContact CG-CB 3.93Å; R841-R866 WeakPolarHBondContact CD-O 3.34Å; R841-R866 PolarHBondContact NE-O 2.98Å; R841-P867 PolarHBondContact NH2-O 3.24Å; R841-P867 PolarHBondContact NH2-OXT 2.85Å |
| 842 | K | 95.4 | Very high | 92.6 | Very high | 126 Ų | 126 | 78 Ų | 78 | 55% | 0.548 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.7 | -52.2 | 175.9 | -172.6 | -166.6 | 175.2 | -63.9 | 0 | 110.3 | A838 A839 I840 L844 N845 D846 | A838-K842 PolarHBondContact O-N 2.87Å; A839-K842 CarbonylContact O-C 3.38Å; A839-K842 WeakPolarHBondContact O-CA 3.45Å; A839-K842 WeakPolarHBondContact O-CB 3.48Å; A839-K842 PolarHBondContact O-N 2.78Å; I840-K842 VanDerWaalsContact C-N 3.34Å; K842-L844 PolarHBondContact O-N 3.28Å; K842-N845 CarbonylContact O-C 3.6Å; K842-N845 WeakPolarHBondContact O-CA 3.5Å; K842-N845 VanDerWaalsContact O-CB 3.31Å; K842-N845 WeakPolarHBondContact O-CB 3.12Å; K842-N845 PolarHBondContact O-N 3.16Å; K842-D846 VanDerWaalsContact NZ-CG 3.3Å; K842-D846 IonicContact NZ-OD1 3.38Å; K842-D846 PolarHBondContact NZ-OD1 2.8Å; K842-D846 IonicContact NZ-OD2 3.43Å; K842-D846 PolarHBondContact NZ-OD2 2.93Å; K842-D846 PolarHBondContact O-N 2.78Å |
| 843 | E | 95.6 | Very high | 92.8 | Very high | 129 Ų | 129 | 84.8 Ų | 84.8 | 60% | 0.603 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -55.5 | -46.8 | 177.7 | -174.9 | -179 | -173.6 | 0 | 0 | 111.9 | A839 N845 D846 Y847 | A839-E843 WeakPolarHBondContact O-CB 3.4Å; A839-E843 PolarHBondContact O-N 3.45Å; E843-N845 PolarHBondContact O-N 2.95Å; E843-D846 PolarHBondContact O-N 3.38Å; E843-Y847 WeakPolarHBondContact O-CB 3.4Å; E843-Y847 PolarHBondContact O-N 3.33Å |
| 844 | L | 95.4 | Very high | 92.8 | Very high | 77 Ų | 77 | 83.8 Ų | 83.8 | 40% | 0.403 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67 | -16.4 | 174.1 | -70.6 | 173.7 | 0 | 0 | 0 | 114.2 | I840 K842 K848 | I840-L844 HydrophobicContact CG2-CD1 3.84Å; I840-L844 HydrophobicContact CG2-CG 4.32Å; I840-L844 VanDerWaalsContact O-CB 3.27Å; I840-L844 WeakPolarHBondContact O-CB 3.46Å; I840-L844 WeakPolarHBondContact O-CG 3.4Å; I840-L844 PolarHBondContact O-N 2.84Å; K842-L844 PolarHBondContact O-N 3.28Å; L844-K848 WeakPolarHBondContact O-CD 3.22Å; L844-K848 WeakPolarHBondContact O-CE 3.48Å; L844-K848 WeakPolarHBondContact O-CG 3.49Å |
| 845 | N | 94.6 | Very high | 92.7 | Very high | 25 Ų | 25 | 84.6 Ų | 84.6 | 13% | 0.134 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -88.6 | -44.3 | 172 | -78.1 | -10.3 | 0 | 0 | 0 | 111.4 | R841 K842 E843 K848 S849 F864 H865 | R841-N845 WeakPolarHBondContact O-CB 3.31Å; R841-N845 PolarHBondContact O-N 3.03Å; R841-N845 PolarHBondContact O-ND2 2.79Å; R841-N845 PolarHBondContact O-OD1 3.25Å; K842-N845 CarbonylContact O-C 3.6Å; K842-N845 WeakPolarHBondContact O-CA 3.5Å; K842-N845 VanDerWaalsContact O-CB 3.31Å; K842-N845 WeakPolarHBondContact O-CB 3.12Å; K842-N845 PolarHBondContact O-N 3.16Å; E843-N845 PolarHBondContact O-N 2.95Å; N845-K848 PolarHBondContact O-N 2.81Å; N845-S849 WeakPolarHBondContact O-CB 3.47Å; N845-S849 PolarHBondContact O-N 3.21Å; N845-S849 PolarHBondContact O-OG 3.41Å; N845-F864 HydrophobicContact CB-CD1 3.89Å; N845-F864 WeakPolarHBondContact O-CE1 3.43Å; N845-F864 VanDerWaalsContact OD1-CA 3.3Å; N845-F864 WeakPolarHBondContact OD1-CA 3.11Å; N845-F864 WeakPolarHBondContact OD1-CB 3.4Å; N845-H865 PolarHBondContact ND2-O 3.11Å; N845-H865 PolarHBondContact OD1-CD2 2.9Å; N845-H865 PolarHBondContact OD1-N 2.68Å |
| 846 | D | 94.5 | Very high | 92.7 | Very high | 63 Ų | 63 | 88.9 Ų | 88.9 | 34% | 0.337 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -55.3 | -55.3 | 175.3 | -60.1 | -26.4 | 0 | 0 | 0 | 108.6 | K842 E843 K848 S849 T850 | K842-D846 VanDerWaalsContact NZ-CG 3.3Å; K842-D846 IonicContact NZ-OD1 3.38Å; K842-D846 PolarHBondContact NZ-OD1 2.8Å; K842-D846 IonicContact NZ-OD2 3.43Å; K842-D846 PolarHBondContact NZ-OD2 2.93Å; K842-D846 PolarHBondContact O-N 2.78Å; E843-D846 PolarHBondContact O-N 3.38Å; D846-K848 VanDerWaalsContact C-N 3.34Å; D846-K848 PolarHBondContact O-N 2.91Å; D846-S849 CarbonylContact O-C 3.54Å; D846-S849 WeakPolarHBondContact O-CA 3.39Å; D846-S849 PolarHBondContact O-N 3.07Å; D846-S849 PolarHBondContact O-OG 3.3Å; D846-T850 PolarHBondContact O-N 2.85Å; D846-T850 PolarHBondContact O-OG1 3.3Å |
| 847 | Y | 94.6 | Very high | 92.6 | Very high | 111 Ų | 111 | 92.8 Ų | 92.8 | 44% | 0.435 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -50 | -49.9 | 175.4 | -178.4 | -90.8 | 0 | 0 | 0 | 112.5 | E843 S849 E851 M852 | E843-Y847 WeakPolarHBondContact O-CB 3.4Å; E843-Y847 PolarHBondContact O-N 3.33Å; Y847-S849 PolarHBondContact O-N 2.84Å; Y847-S849 VanDerWaalsContact O-N 3.17Å; Y847-E851 HydrophobicContact CD2-CB 3.83Å; Y847-E851 HydrophobicContact CD2-CG 4.03Å; Y847-E851 WeakPolarHBondContact CD2-OE2 3.26Å; Y847-E851 HydrophobicContact CE2-CB 4Å; Y847-E851 HydrophobicContact CE2-CG 3.76Å; Y847-E851 WeakPolarHBondContact CE2-OE1 3.38Å; Y847-E851 HydrophobicContact CG-CB 4.41Å; Y847-E851 PolarHBondContact O-N 2.8Å; Y847-M852 HydrophobicContact CD1-CB 4.08Å; Y847-M852 HydrophobicContact CE1-CB 3.84Å; Y847-M852 HydrophobicContact CE1-CG 4.29Å; Y847-M852 WeakPolarHBondContact O-CB 3.35Å; Y847-M852 PolarHBondContact O-N 3.41Å |
| 848 | K | 93.6 | Very high | 92.6 | Very high | 42 Ų | 42 | 90.8 Ų | 90.8 | 18% | 0.183 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -64 | -17.6 | 177.5 | -75.9 | 173.5 | -169.2 | 168 | 0 | 114.6 | L844 N845 D846 M852 R863 F864 H865 | L844-K848 WeakPolarHBondContact O-CD 3.22Å; L844-K848 WeakPolarHBondContact O-CE 3.48Å; L844-K848 WeakPolarHBondContact O-CG 3.49Å; N845-K848 PolarHBondContact O-N 2.81Å; D846-K848 VanDerWaalsContact C-N 3.34Å; D846-K848 PolarHBondContact O-N 2.91Å; K848-M852 HydrophobicContact CB-CE 4.04Å; K848-M852 HydrophobicContact CG-CE 3.88Å; K848-M852 HydrophobicContact CG-SD 4.11Å; K848-R863 PolarHBondContact NZ-O 3.38Å; K848-F864 HydrophobicContact CB-CD1 4.22Å; K848-F864 HydrophobicContact CB-CE1 3.68Å; K848-F864 HydrophobicContact CB-CZ 4.49Å; K848-H865 PolarHBondContact NZ-CD2 3.47Å; K848-H865 VanDerWaalsContact NZ-CD2 3.31Å; K848-H865 PolarHBondContact NZ-NE2 3.27Å |
| 849 | S | 89.2 | Confident | 92.6 | Very high | 43 Ų | 43 | 94.9 Ų | 94.9 | 30% | 0.301 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -102.9 | -31.3 | -177.8 | 73 | 0 | 0 | 0 | 0 | 113.4 | N845 D846 Y847 R859 | N845-S849 WeakPolarHBondContact O-CB 3.47Å; N845-S849 PolarHBondContact O-N 3.21Å; N845-S849 PolarHBondContact O-OG 3.41Å; D846-S849 CarbonylContact O-C 3.54Å; D846-S849 WeakPolarHBondContact O-CA 3.39Å; D846-S849 PolarHBondContact O-N 3.07Å; D846-S849 PolarHBondContact O-OG 3.3Å; Y847-S849 PolarHBondContact O-N 2.84Å; Y847-S849 VanDerWaalsContact O-N 3.17Å; S849-R859 PolarHBondContact O-NH2 3.04Å |
| 850 | T | 89.8 | Confident | 92.4 | Very high | 113 Ų | 113 | 98.5 Ų | 98.5 | 69% | 0.693 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -114.7 | -31.3 | -172.8 | 58.7 | 0 | 0 | 0 | 0 | 115.4 | D846 | D846-T850 PolarHBondContact O-N 2.85Å; D846-T850 PolarHBondContact O-OG1 3.3Å |
| 851 | E | 93.9 | Very high | 92.4 | Very high | 139 Ų | 139 | 103.6 Ų | 103.6 | 65% | 0.65 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116 | -34.4 | -169.2 | -168.7 | 179.3 | 156.6 | 0 | 0 | 112.8 | Y847 E853 | Y847-E851 HydrophobicContact CD2-CB 3.83Å; Y847-E851 HydrophobicContact CD2-CG 4.03Å; Y847-E851 WeakPolarHBondContact CD2-OE2 3.26Å; Y847-E851 HydrophobicContact CE2-CB 4Å; Y847-E851 HydrophobicContact CE2-CG 3.76Å; Y847-E851 WeakPolarHBondContact CE2-OE1 3.38Å; Y847-E851 HydrophobicContact CG-CB 4.41Å; Y847-E851 PolarHBondContact O-N 2.8Å; E851-E853 PolarHBondContact O-N 2.92Å; E851-E853 VanDerWaalsContact O-N 3.11Å |
| 852 | M | 90.4 | Very high | 92.3 | Very high | 67 Ų | 67 | 100.3 Ų | 100.3 | 33% | 0.33 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -73.7 | 101.1 | 173.7 | -167.8 | 179.3 | 75.4 | 0 | 0 | 110 | Y847 K848 V854 T862 | Y847-M852 HydrophobicContact CD1-CB 4.08Å; Y847-M852 HydrophobicContact CE1-CB 3.84Å; Y847-M852 HydrophobicContact CE1-CG 4.29Å; Y847-M852 WeakPolarHBondContact O-CB 3.35Å; Y847-M852 PolarHBondContact O-N 3.41Å; K848-M852 HydrophobicContact CB-CE 4.04Å; K848-M852 HydrophobicContact CG-CE 3.88Å; K848-M852 HydrophobicContact CG-SD 4.11Å; M852-V854 HydrophobicContact CE-CG2 3.72Å; M852-V854 HydrophobicContact CG-CG2 4.36Å; M852-V854 PolarHBondContact O-N 3.07Å; M852-T862 HydrophobicContact CE-CG2 4.24Å |
| 853 | E | 90.4 | Very high | 92.2 | Very high | 196 Ų | 196 | 104.7 Ų | 104.7 | 92% | 0.916 | 50% | 0.495 | S | S | * | . | trans | -62.7 | 124.5 | 176.6 | -170.8 | 172.7 | -156.2 | 0 | 0 | 111.2 | E851 | E851-E853 PolarHBondContact O-N 2.92Å; E851-E853 VanDerWaalsContact O-N 3.11Å | ||
| 854 | V | 89.8 | Confident | 92.2 | Very high | 40 Ų | 40 | 103.4 Ų | 103.4 | 24% | 0.242 | 49% | 0.488 | C | S | . | . | trans | -142 | 132.3 | 178.7 | 179.8 | 0 | 0 | 0 | 0 | 108.1 | M852 E856 T862 | M852-V854 HydrophobicContact CE-CG2 3.72Å; M852-V854 HydrophobicContact CG-CG2 4.36Å; M852-V854 PolarHBondContact O-N 3.07Å; V854-E856 PolarHBondContact O-N 3.08Å; V854-T862 HydrophobicContact CG1-CG2 4.22Å; V854-T862 HydrophobicContact CG2-CG2 4.13Å | ||
| 855 | H | 91.5 | Very high | 92.1 | Very high | 131 Ų | 131 | 103.3 Ų | 103.3 | 61% | 0.606 | 49% | 0.485 | S | S | * | . | trans | -50.7 | 136.6 | 176.1 | -159.2 | -103.1 | 0 | 0 | 0 | 111.1 | E857 S858 R859 | H855-E857 IonicContact CE1-OE2 3.91Å; H855-E857 PolarHBondContact CE1-OE2 2.9Å; H855-E857 IonicContact ND1-OE2 3.21Å; H855-E857 PolarHBondContact ND1-OE2 2.72Å; H855-E857 PolarHBondContact O-N 2.85Å; H855-S858 CarbonylContact O-C 3.3Å; H855-S858 WeakPolarHBondContact O-CA 3.47Å; H855-S858 WeakPolarHBondContact O-CB 3.15Å; H855-S858 PolarHBondContact O-N 3.45Å; H855-R859 PolarHBondContact O-N 3.35Å; H855-R859 VanDerWaalsContact O-N 3.13Å | ||
| 856 | E | 90 | Very high | 91.8 | Very high | 157 Ų | 157 | 112.4 Ų | 112.4 | 73% | 0.734 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -57.7 | -46.5 | -164.8 | -57.3 | -168 | 142.3 | 0 | 0 | 112.8 | V854 S858 R859 | V854-E856 PolarHBondContact O-N 3.08Å; E856-S858 PolarHBondContact O-N 3.43Å; E856-S858 VanDerWaalsContact O-N 3.17Å; E856-R859 VanDerWaalsContact O-CB 3.27Å; E856-R859 WeakPolarHBondContact O-CB 3.37Å; E856-R859 PolarHBondContact O-N 3.21Å |
| 857 | E | 90.8 | Very high | 90.8 | Very high | 146 Ų | 146 | 116.2 Ų | 116.2 | 68% | 0.682 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -55.7 | -30.1 | 173.9 | -56.9 | 174.6 | 146 | 0 | 0 | 113.5 | H855 | H855-E857 IonicContact CE1-OE2 3.91Å; H855-E857 PolarHBondContact CE1-OE2 2.9Å; H855-E857 IonicContact ND1-OE2 3.21Å; H855-E857 PolarHBondContact ND1-OE2 2.72Å; H855-E857 PolarHBondContact O-N 2.85Å |
| 858 | S | 93.1 | Very high | 90.6 | Very high | 53 Ų | 53 | 116.5 Ų | 116.5 | 37% | 0.371 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -91.2 | -11.7 | -179 | -69.7 | 0 | 0 | 0 | 0 | 113.6 | H855 E856 I860 Y861 | H855-S858 CarbonylContact O-C 3.3Å; H855-S858 WeakPolarHBondContact O-CA 3.47Å; H855-S858 WeakPolarHBondContact O-CB 3.15Å; H855-S858 PolarHBondContact O-N 3.45Å; E856-S858 PolarHBondContact O-N 3.43Å; E856-S858 VanDerWaalsContact O-N 3.17Å; S858-I860 PolarHBondContact O-N 2.91Å; S858-I860 VanDerWaalsContact O-N 3.16Å; S858-Y861 PolarHBondContact O-N 2.85Å |
| 859 | R | 91 | Very high | 90.5 | Very high | 116 Ų | 116 | 120.4 Ų | 120.4 | 44% | 0.438 | 57% | 0.571 | S | S | . | * | G | 310 helix | trans | -58.9 | -31.1 | -177.9 | -151.3 | 178.7 | -158.2 | 131.9 | 0.3 | 111.9 | S849 H855 E856 Y861 T862 | S849-R859 PolarHBondContact O-NH2 3.04Å; H855-R859 PolarHBondContact O-N 3.35Å; H855-R859 VanDerWaalsContact O-N 3.13Å; E856-R859 VanDerWaalsContact O-CB 3.27Å; E856-R859 WeakPolarHBondContact O-CB 3.37Å; E856-R859 PolarHBondContact O-N 3.21Å; R859-Y861 PolarHBondContact O-N 2.79Å; R859-T862 WeakPolarHBondContact O-CB 3.4Å; R859-T862 WeakPolarHBondContact O-CG2 3.31Å; R859-T862 PolarHBondContact O-N 3.2Å; R859-T862 VanDerWaalsContact O-N 3.14Å; R859-T862 PolarHBondContact O-OG1 3.39Å |
| 860 | I | 89.4 | Confident | 90.5 | Very high | 132 Ų | 132 | 124.7 Ų | 124.7 | 68% | 0.677 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -63.3 | -19.8 | 175.9 | 66.1 | 178.3 | 0 | 0 | 0 | 114.5 | S858 | S858-I860 PolarHBondContact O-N 2.91Å; S858-I860 VanDerWaalsContact O-N 3.16Å |
| 861 | Y | 92.8 | Very high | 90.6 | Very high | 174 Ų | 174 | 125.4 Ų | 125.4 | 68% | 0.682 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -92.7 | -3.4 | 177.9 | -55.3 | -63 | 0 | 0 | 0 | 113.2 | S858 R859 R863 | S858-Y861 PolarHBondContact O-N 2.85Å; R859-Y861 PolarHBondContact O-N 2.79Å; Y861-R863 PolarHBondContact O-N 3.32Å |
| 862 | T | 91.9 | Very high | 90.4 | Very high | 27 Ų | 27 | 124.5 Ų | 124.5 | 17% | 0.166 | 58% | 0.575 | C | S | . | * | trans | -65.9 | 132.7 | 178.6 | 59.7 | 0 | 0 | 0 | 0 | 111.3 | M852 V854 R859 F864 | M852-T862 HydrophobicContact CE-CG2 4.24Å; V854-T862 HydrophobicContact CG1-CG2 4.22Å; V854-T862 HydrophobicContact CG2-CG2 4.13Å; R859-T862 WeakPolarHBondContact O-CB 3.4Å; R859-T862 WeakPolarHBondContact O-CG2 3.31Å; R859-T862 PolarHBondContact O-N 3.2Å; R859-T862 VanDerWaalsContact O-N 3.14Å; R859-T862 PolarHBondContact O-OG1 3.39Å; T862-F864 WeakPolarHBondContact OG1-CE2 3.21Å; T862-F864 WeakPolarHBondContact OG1-CZ 3.44Å | ||
| 863 | R | 94.6 | Very high | 90.4 | Very high | 217 Ų | 217 | 128.3 Ų | 128.3 | 82% | 0.819 | 59% | 0.591 | S | S | * | * | trans | -103.7 | 97 | -173.6 | -72.5 | -175 | 61 | 174.9 | -4.8 | 111.9 | K848 Y861 | K848-R863 PolarHBondContact NZ-O 3.38Å; Y861-R863 PolarHBondContact O-N 3.32Å | ||
| 864 | F | 93.9 | Very high | 90.4 | Very high | 102 Ų | 102 | 123.5 Ų | 123.5 | 45% | 0.447 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -72 | 147.4 | 171.1 | -58.9 | -74.4 | 0 | 0 | 0 | 112.2 | N845 K848 T862 | N845-F864 HydrophobicContact CB-CD1 3.89Å; N845-F864 WeakPolarHBondContact O-CE1 3.43Å; N845-F864 VanDerWaalsContact OD1-CA 3.3Å; N845-F864 WeakPolarHBondContact OD1-CA 3.11Å; N845-F864 WeakPolarHBondContact OD1-CB 3.4Å; K848-F864 HydrophobicContact CB-CD1 4.22Å; K848-F864 HydrophobicContact CB-CE1 3.68Å; K848-F864 HydrophobicContact CB-CZ 4.49Å; T862-F864 WeakPolarHBondContact OG1-CE2 3.21Å; T862-F864 WeakPolarHBondContact OG1-CZ 3.44Å |
| 865 | H | 93.6 | Very high | 90.4 | Very high | 76 Ų | 76 | 129.9 Ų | 129.9 | 35% | 0.352 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -71.1 | 154.4 | 165.2 | -58.5 | -82.8 | 0 | 0 | 0 | 109.5 | R841 N845 K848 | R841-H865 HydrophobicContact CB-CB 3.98Å; R841-H865 HydrophobicContact CG-CB 3.93Å; N845-H865 PolarHBondContact ND2-O 3.11Å; N845-H865 PolarHBondContact OD1-CD2 2.9Å; N845-H865 PolarHBondContact OD1-N 2.68Å; K848-H865 PolarHBondContact NZ-CD2 3.47Å; K848-H865 VanDerWaalsContact NZ-CD2 3.31Å; K848-H865 PolarHBondContact NZ-NE2 3.27Å |
| 866 | R | 88.8 | Confident | 90.3 | Very high | 216 Ų | 216 | 129.8 Ų | 129.8 | 82% | 0.815 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 143.9 | 169.2 | -69.3 | -177.4 | 172.9 | -170 | -6.4 | 109.6 | R841 | R841-R866 WeakPolarHBondContact CD-O 3.34Å; R841-R866 PolarHBondContact NE-O 2.98Å |
| 867 | P | 73.9 | Confident | 90.4 | Very high | 142 Ų | 142 | 127.4 Ų | 127.4 | 92% | 0.922 | 58% | 0.579 | S | S | * | * | trans | -46.7 | 0 | 171.3 | -30.4 | 37.2 | 0 | 0 | 0 | 113.7 | R841 | R841-P867 PolarHBondContact NH2-O 3.24Å; R841-P867 PolarHBondContact NH2-OXT 2.85Å |
Retrieved 867 of 867 residues in 505.9 ms
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